A0A077ZIT5_TRITR Loading...

KH 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZIT5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 723 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.5	Very low	34.8	Very low	233 Å²	233	140.1 Å²	140.1	100%	1.148	79%	0.789	S	S	*	*				0	152.4	0	-67.2	174.4	-179.7	0	0	106.8
2	E	34.7	Very low	35.3	Very low	185 Å²	185	137.1 Å²	137.1	86%	0.864	78%	0.784	S	S	*	*			trans	64.7	136.2	179.1	-59.4	172.2	-175.4	0	0	115.3
3	T	33.6	Very low	35.1	Very low	124 Å²	124	142.5 Å²	142.5	76%	0.761	79%	0.793	S	S	*	*			cis	-157.6	136.1	-38.3	4.4	0	0	0	0	104.8
4	A	30.1	Very low	35.8	Very low	85 Å²	85	142.8 Å²	142.8	70%	0.702	79%	0.786	S	S	*	*				51.5	135.9	86.4	0	0	0	0	0	114
5	C	34.8	Very low	36.2	Very low	115 Å²	115	141.3 Å²	141.3	78%	0.777	79%	0.785	S	S	*	*			cis	-166.5	-157	1.1	-128.7	0	0	0	0	110.2
6	C	35.3	Very low	36.8	Very low	90 Å²	90	135.2 Å²	135.2	61%	0.608	77%	0.765	S	S	*	*			trans	81.2	122.5	157.1	-51.7	0	0	0	0	117.1
7	F	35.9	Very low	37.4	Very low	182 Å²	182	131 Å²	131	80%	0.798	74%	0.742	S	S	*	*			cis	-149.5	140.6	-10.6	-81.8	-59.9	0	0	0	106.4
8	S	35.2	Very low	38	Very low	91 Å²	91	132.5 Å²	132.5	64%	0.636	74%	0.742	S	S	*	*				65.2	131.6	72.3	-88.6	0	0	0	0	113.4
9	D	35.4	Very low	38.6	Very low	140 Å²	140	132.2 Å²	132.2	75%	0.749	73%	0.734	S	S	*	*			cis	-147.7	161	11.1	-82.8	-45.1	0	0	0	114.7
10	S	35.8	Very low	39.4	Very low	108 Å²	108	132.7 Å²	132.7	76%	0.755	73%	0.731	S	S	*	*			trans	33.3	125.2	145	-55.3	0	0	0	0	122.8
11	E	39	Very low	40.4	Very low	188 Å²	188	132.4 Å²	132.4	88%	0.879	72%	0.722	S	S	*	*				-162.8	154.1	105.3	-110	172.9	-170.7	0	0	113.8
12	S	39.9	Very low	41.9	Very low	104 Å²	104	125.9 Å²	125.9	73%	0.727	69%	0.692	S	S	*	*			trans	26.6	115.4	169.9	58.7	0	0	0	0	121.3
13	F	33.7	Very low	43.7	Very low	207 Å²	207	122.2 Å²	122.2	91%	0.908	68%	0.675	S	S	*	*			trans	-71.1	118.5	153.7	-108.6	-108.1	0	0	0	110.3
14	E	44.3	Very low	45.5	Very low	147 Å²	147	120.3 Å²	120.3	69%	0.687	66%	0.657	S	S	*	*			trans	-112.5	109	155.6	-78.8	-157.7	156.7	0	0	109.7	G16 V17	E14-G16 PolarHBondContact O-N 3.33Å; E14-V17 HydrophobicContact CB-CG2 4.45Å
15	P	42.5	Very low	47.7	Very low	120 Å²	120	120.4 Å²	120.4	78%	0.779	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	13.7	-177.9	31.5	-35.7	0	0	0	114.5
16	G	44.5	Very low	49.8	Very low	44 Å²	44	119.7 Å²	119.7	45%	0.454	63%	0.627	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.8	-31.5	178.5	0	0	0	0	0	114.9	E14 E18 Q19	E14-G16 PolarHBondContact O-N 3.33Å; G16-E18 VanDerWaalsContact C-N 3.32Å; G16-E18 PolarHBondContact O-N 2.92Å; G16-Q19 PolarHBondContact O-N 3.22Å
17	V	48.4	Very low	52	Low	64 Å²	64	120.3 Å²	120.3	39%	0.388	62%	0.621	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.5	-8.8	-163.7	-170.2	0	0	0	0	113.8	E14 K21	E14-V17 HydrophobicContact CB-CG2 4.45Å; V17-K21 WeakPolarHBondContact O-CD 3.44Å; V17-K21 WeakPolarHBondContact O-CE 3.37Å; V17-K21 WeakPolarHBondContact O-CG 3.34Å
18	E	47.8	Very low	54.1	Low	158 Å²	158	111.8 Å²	111.8	74%	0.738	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-32.6	169.9	-62.3	-159.2	132.5	0	0	112	G16 K21 D22	G16-E18 VanDerWaalsContact C-N 3.32Å; G16-E18 PolarHBondContact O-N 2.92Å; E18-K21 PolarHBondContact O-N 2.99Å; E18-D22 PolarHBondContact O-N 2.78Å
19	Q	50	Low	56.4	Low	127 Å²	127	110.9 Å²	110.9	59%	0.593	57%	0.569	S	S	*	*	H	α-helix	trans	-67.8	-43.9	-179.6	-169.6	176.2	-29.9	0	0	112	G16 K21 D22 E23	G16-Q19 PolarHBondContact O-N 3.22Å; Q19-K21 PolarHBondContact O-N 2.87Å; Q19-D22 PolarHBondContact O-N 3.17Å; Q19-E23 WeakPolarHBondContact CG-OE1 3.27Å; Q19-E23 PolarHBondContact NE2-OE1 2.86Å; Q19-E23 WeakPolarHBondContact O-CG 2.96Å; Q19-E23 PolarHBondContact O-N 3.38Å
20	E	54	Low	58.7	Low	141 Å²	141	110.1 Å²	110.1	66%	0.659	56%	0.559	S	S	*	*	H	α-helix	trans	-56.9	-32.4	173.6	-77.3	-168.3	132.3	0	0	113	E24	E20-E24 WeakPolarHBondContact O-CB 3.35Å; E20-E24 PolarHBondContact O-N 2.86Å
21	K	60.6	Low	60.9	Low	127 Å²	127	109.6 Å²	109.6	55%	0.552	55%	0.546	S	S	*	.	H	α-helix	trans	-75.2	-37.7	-178.4	-71.2	171.7	-171.8	155.6	0	112.5	V17 E18 Q19 K25	V17-K21 WeakPolarHBondContact O-CD 3.44Å; V17-K21 WeakPolarHBondContact O-CE 3.37Å; V17-K21 WeakPolarHBondContact O-CG 3.34Å; E18-K21 PolarHBondContact O-N 2.99Å; Q19-K21 PolarHBondContact O-N 2.87Å; K21-K25 WeakPolarHBondContact O-CB 3.27Å; K21-K25 PolarHBondContact O-N 2.75Å
22	D	64.6	Low	63	Low	96 Å²	96	100.6 Å²	100.6	51%	0.513	50%	0.504	S	S	.	.	H	α-helix	trans	-75.3	-33.7	174	-89.3	-37.1	0	0	0	111.7	E18 Q19 K25 E26	E18-D22 PolarHBondContact O-N 2.78Å; Q19-D22 PolarHBondContact O-N 3.17Å; D22-K25 PolarHBondContact O-N 3.35Å; D22-K25 IonicContact OD1-NZ 3.33Å; D22-K25 PolarHBondContact OD1-NZ 3.34Å; D22-E26 WeakPolarHBondContact O-CB 3.34Å; D22-E26 PolarHBondContact O-N 2.76Å
23	E	71.8	Confident	65.1	Low	109 Å²	109	100 Å²	100	51%	0.509	49%	0.49	S	S	.	.	H	α-helix	trans	-64.9	-45.4	171.8	-72.7	-178.2	-156.5	0	0	112.3	Q19 K25 E26 H27	Q19-E23 WeakPolarHBondContact CG-OE1 3.27Å; Q19-E23 PolarHBondContact NE2-OE1 2.86Å; Q19-E23 WeakPolarHBondContact O-CG 2.96Å; Q19-E23 PolarHBondContact O-N 3.38Å; E23-K25 VanDerWaalsContact C-N 3.34Å; E23-K25 PolarHBondContact O-N 3.32Å; E23-E26 PolarHBondContact O-N 2.99Å; E23-H27 WeakPolarHBondContact O-CB 3.18Å; E23-H27 PolarHBondContact O-N 3.05Å
24	E	72.8	Confident	67.6	Low	83 Å²	83	93.1 Å²	93.1	39%	0.388	47%	0.466	S	S	.	.	H	α-helix	trans	-63.5	-39.9	173.8	178.3	168	-135.6	0	0	111.7	E20 H27 I28 K67	E20-E24 WeakPolarHBondContact O-CB 3.35Å; E20-E24 PolarHBondContact O-N 2.86Å; E24-H27 PolarHBondContact O-N 3.37Å; E24-I28 HydrophobicContact CG-CD1 3.94Å; E24-I28 HydrophobicContact CG-CG1 4.47Å; E24-I28 VanDerWaalsContact O-CG1 3.3Å; E24-I28 WeakPolarHBondContact O-CG1 3.43Å; E24-I28 PolarHBondContact O-N 2.98Å; E24-K67 HydrophobicContact CG-CD 4.46Å; E24-K67 WeakPolarHBondContact OE1-CD 3.43Å; E24-K67 IonicContact OE1-NZ 2.59Å; E24-K67 PolarHBondContact OE1-NZ 2.6Å; E24-K67 WeakPolarHBondContact OE2-CD 3.33Å; E24-K67 WeakPolarHBondContact OE2-CE 3.35Å; E24-K67 IonicContact OE2-NZ 3Å; E24-K67 PolarHBondContact OE2-NZ 3.43Å
25	K	75.2	Confident	69.6	Low	87 Å²	87	87.1 Å²	87.1	38%	0.378	44%	0.438	S	S	.	.	H	α-helix	trans	-64	-44.9	176.6	174.4	171.4	136.1	-97	0	111.7	K21 D22 E23 H27 I28 E29 P69	K21-K25 WeakPolarHBondContact O-CB 3.27Å; K21-K25 PolarHBondContact O-N 2.75Å; D22-K25 PolarHBondContact O-N 3.35Å; D22-K25 IonicContact OD1-NZ 3.33Å; D22-K25 PolarHBondContact OD1-NZ 3.34Å; E23-K25 VanDerWaalsContact C-N 3.34Å; E23-K25 PolarHBondContact O-N 3.32Å; K25-H27 VanDerWaalsContact C-N 3.31Å; K25-H27 PolarHBondContact O-N 3.2Å; K25-I28 PolarHBondContact O-N 3.22Å; K25-E29 WeakPolarHBondContact CE-OE1 3.47Å; K25-E29 WeakPolarHBondContact O-CB 3.26Å; K25-E29 WeakPolarHBondContact O-CG 3.38Å; K25-E29 PolarHBondContact O-N 3.26Å; K25-P69 HydrophobicContact CD-CG 4.46Å; K25-P69 HydrophobicContact CG-CG 4.24Å
26	E	78.7	Confident	71.6	Confident	101 Å²	101	82.1 Å²	82.1	47%	0.472	41%	0.405	S	S	.	.	H	α-helix	trans	-64.6	-36.5	176.6	-157	-156.7	176.8	0	0	111.4	D22 E23 E29 K30	D22-E26 WeakPolarHBondContact O-CB 3.34Å; D22-E26 PolarHBondContact O-N 2.76Å; E23-E26 PolarHBondContact O-N 2.99Å; E26-E29 PolarHBondContact O-N 2.82Å; E26-K30 VanDerWaalsContact CD-CE 3.41Å; E26-K30 HydrophobicContact CG-CD 4.41Å; E26-K30 WeakPolarHBondContact O-CB 3.3Å; E26-K30 VanDerWaalsContact O-CG 3.27Å; E26-K30 WeakPolarHBondContact O-CG 3.4Å; E26-K30 PolarHBondContact O-N 3.05Å; E26-K30 WeakPolarHBondContact OE1-CE 3.09Å; E26-K30 IonicContact OE1-NZ 2.73Å; E26-K30 PolarHBondContact OE1-NZ 2.97Å; E26-K30 IonicContact OE2-NZ 3.8Å; E26-K30 PolarHBondContact OE2-NZ 2.89Å
27	H	81.5	Confident	73.5	Confident	103 Å²	103	86.7 Å²	86.7	48%	0.477	42%	0.415	S	S	.	.	H	α-helix	trans	-63.1	-44.9	173	-177.7	76.8	0	0	0	112.1	E23 E24 K25 K30 M31	E23-H27 WeakPolarHBondContact O-CB 3.18Å; E23-H27 PolarHBondContact O-N 3.05Å; E24-H27 PolarHBondContact O-N 3.37Å; K25-H27 VanDerWaalsContact C-N 3.31Å; K25-H27 PolarHBondContact O-N 3.2Å; H27-K30 PolarHBondContact O-N 2.98Å; H27-M31 WeakPolarHBondContact O-CB 3.29Å; H27-M31 VanDerWaalsContact O-CG 3.23Å; H27-M31 WeakPolarHBondContact O-CG 3.43Å; H27-M31 PolarHBondContact O-N 3.01Å
28	I	80.5	Confident	75	Confident	2 Å²	2	86.5 Å²	86.5	1%	0.01	41%	0.41	C	S	.	.	H	α-helix	trans	-64.1	-41	175.2	-67.7	169.3	0	0	0	111.1	E24 K25 M31 V32 Y64 K67 L68	E24-I28 HydrophobicContact CG-CD1 3.94Å; E24-I28 HydrophobicContact CG-CG1 4.47Å; E24-I28 VanDerWaalsContact O-CG1 3.3Å; E24-I28 WeakPolarHBondContact O-CG1 3.43Å; E24-I28 PolarHBondContact O-N 2.98Å; K25-I28 PolarHBondContact O-N 3.22Å; I28-M31 PolarHBondContact O-N 2.87Å; I28-V32 HydrophobicContact CG2-CG2 4.28Å; I28-V32 WeakPolarHBondContact O-CB 3.47Å; I28-V32 VanDerWaalsContact O-CG2 3.27Å; I28-V32 WeakPolarHBondContact O-CG2 3.24Å; I28-V32 PolarHBondContact O-N 2.95Å; I28-Y64 HydrophobicContact CD1-CD1 3.71Å; I28-Y64 HydrophobicContact CD1-CE1 4.32Å; I28-Y64 HydrophobicContact CD1-CG 4.34Å; I28-Y64 HydrophobicContact CG1-CD1 3.61Å; I28-Y64 HydrophobicContact CG1-CE1 3.85Å; I28-Y64 HydrophobicContact CG1-CG 4.18Å; I28-Y64 HydrophobicContact CG2-CD1 4.4Å; I28-Y64 HydrophobicContact CG2-CD2 4.5Å; I28-Y64 HydrophobicContact CG2-CG 4.1Å; I28-K67 HydrophobicContact CD1-CB 3.52Å; I28-K67 HydrophobicContact CD1-CD 4.14Å; I28-K67 HydrophobicContact CD1-CG 4.46Å; I28-L68 HydrophobicContact CG2-CD2 4.39Å
29	E	82.5	Confident	76.4	Confident	73 Å²	73	82.9 Å²	82.9	34%	0.341	39%	0.391	S	S	.	.	H	α-helix	trans	-62.6	-45.5	175.7	-72.4	-179.4	-165.6	0	0	111	K25 E26 M31 V32 Q33 P69 L72	K25-E29 WeakPolarHBondContact CE-OE1 3.47Å; K25-E29 WeakPolarHBondContact O-CB 3.26Å; K25-E29 WeakPolarHBondContact O-CG 3.38Å; K25-E29 PolarHBondContact O-N 3.26Å; E26-E29 PolarHBondContact O-N 2.82Å; E29-M31 VanDerWaalsContact C-N 3.35Å; E29-M31 PolarHBondContact O-N 2.98Å; E29-V32 PolarHBondContact O-N 2.87Å; E29-Q33 WeakPolarHBondContact O-CB 3.46Å; E29-Q33 PolarHBondContact O-N 3.23Å; E29-P69 HydrophobicContact CG-CG 4.32Å; E29-L72 HydrophobicContact CB-CD1 4.39Å; E29-L72 HydrophobicContact CG-CD1 3.71Å
30	K	83.9	Confident	77.5	Confident	123 Å²	123	81.9 Å²	81.9	54%	0.535	39%	0.39	S	S	.	.	H	α-helix	trans	-60.6	-37.3	174.3	-74.9	165.9	-178.7	164.3	0	113.5	E26 H27 P34	E26-K30 VanDerWaalsContact CD-CE 3.41Å; E26-K30 HydrophobicContact CG-CD 4.41Å; E26-K30 WeakPolarHBondContact O-CB 3.3Å; E26-K30 VanDerWaalsContact O-CG 3.27Å; E26-K30 WeakPolarHBondContact O-CG 3.4Å; E26-K30 PolarHBondContact O-N 3.05Å; E26-K30 WeakPolarHBondContact OE1-CE 3.09Å; E26-K30 IonicContact OE1-NZ 2.73Å; E26-K30 PolarHBondContact OE1-NZ 2.97Å; E26-K30 IonicContact OE2-NZ 3.8Å; E26-K30 PolarHBondContact OE2-NZ 2.89Å; H27-K30 PolarHBondContact O-N 2.98Å; K30-P34 WeakPolarHBondContact O-CD 3.3Å
31	M	81.9	Confident	78.6	Confident	97 Å²	97	78.2 Å²	78.2	48%	0.478	38%	0.378	S	S	.	.	H	α-helix	trans	-72.7	-33.8	177.2	-73	-82.5	-82.7	0	0	112.9	H27 I28 E29 Y64	H27-M31 WeakPolarHBondContact O-CB 3.29Å; H27-M31 VanDerWaalsContact O-CG 3.23Å; H27-M31 WeakPolarHBondContact O-CG 3.43Å; H27-M31 PolarHBondContact O-N 3.01Å; I28-M31 PolarHBondContact O-N 2.87Å; E29-M31 VanDerWaalsContact C-N 3.35Å; E29-M31 PolarHBondContact O-N 2.98Å; M31-Y64 VanDerWaalsContact CE-OH 3.27Å; M31-Y64 WeakPolarHBondContact CE-OH 3.29Å
32	V	84	Confident	79.1	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-89.5	-29.2	-174.8	169.5	0	0	0	0	112.9	I28 E29 L35 L36 L68 L72 L76	I28-V32 HydrophobicContact CG2-CG2 4.28Å; I28-V32 WeakPolarHBondContact O-CB 3.47Å; I28-V32 VanDerWaalsContact O-CG2 3.27Å; I28-V32 WeakPolarHBondContact O-CG2 3.24Å; I28-V32 PolarHBondContact O-N 2.95Å; E29-V32 PolarHBondContact O-N 2.87Å; V32-L35 PolarHBondContact O-N 3.47Å; V32-L36 HydrophobicContact CG1-CD1 3.9Å; V32-L36 HydrophobicContact CG1-CG 4.06Å; V32-L36 PolarHBondContact O-N 3.24Å; V32-L68 HydrophobicContact CG2-CD2 4.22Å; V32-L72 HydrophobicContact CB-CD1 4.07Å; V32-L72 HydrophobicContact CG1-CB 4.33Å; V32-L72 HydrophobicContact CG1-CD1 3.91Å; V32-L72 HydrophobicContact CG1-CD2 4.19Å; V32-L72 HydrophobicContact CG1-CG 4.39Å; V32-L76 HydrophobicContact CG1-CD1 3.81Å; V32-L76 HydrophobicContact CG1-CD2 4.06Å; V32-L76 HydrophobicContact CG1-CG 4.09Å; V32-L76 HydrophobicContact CG2-CD1 4.45Å
33	Q	84.9	Confident	79.4	Confident	91 Å²	91	72.1 Å²	72.1	43%	0.425	35%	0.348	S	S	.	.	H	α-helix	trans	-60.1	-39.5	-175.8	-157.9	77.4	-35.3	0	0	114.5	E29 L35 L36 Q37	E29-Q33 WeakPolarHBondContact O-CB 3.46Å; E29-Q33 PolarHBondContact O-N 3.23Å; Q33-L35 PolarHBondContact O-N 3.27Å; Q33-L36 CarbonylContact O-C 3.57Å; Q33-L36 PolarHBondContact O-N 3.32Å; Q33-L36 VanDerWaalsContact O-N 3.13Å; Q33-Q37 WeakPolarHBondContact O-CG 3.4Å; Q33-Q37 PolarHBondContact O-N 3.11Å
34	P	85.9	Confident	79	Confident	63 Å²	63	72.2 Å²	72.2	41%	0.409	35%	0.351	S	S	.	.	H	α-helix	trans	-61.2	-41.2	176.8	-24.9	35.5	0	0	0	112.9	K30 L36 Q37 Q38	K30-P34 WeakPolarHBondContact O-CD 3.3Å; P34-L36 VanDerWaalsContact C-N 3.29Å; P34-L36 PolarHBondContact O-N 3.27Å; P34-Q37 PolarHBondContact O-N 3.16Å; P34-Q38 PolarHBondContact O-N 2.96Å
35	L	86.2	Confident	78.8	Confident	20 Å²	20	69.4 Å²	69.4	11%	0.105	34%	0.339	C	S	.	.	H	α-helix	trans	-60.8	-41.5	174.5	-55	-179.9	0	0	0	110.6	V32 Q33 Q38 L53 E56 V57 A60 M79	V32-L35 PolarHBondContact O-N 3.47Å; Q33-L35 PolarHBondContact O-N 3.27Å; L35-Q38 PolarHBondContact O-N 3.06Å; L35-L53 HydrophobicContact CD2-CD1 3.99Å; L35-E56 HydrophobicContact CD2-CB 4Å; L35-E56 WeakPolarHBondContact CD2-OE2 3.26Å; L35-V57 HydrophobicContact CB-CG2 4.35Å; L35-V57 HydrophobicContact CD1-CG2 4.33Å; L35-A60 HydrophobicContact CD1-CB 3.99Å; L35-M79 HydrophobicContact CB-CE 3.99Å; L35-M79 WeakPolarHBondContact O-CE 3.48Å; L35-M79 VanDerWaalsContact O-SD 3.39Å
36	L	84	Confident	78.6	Confident	15 Å²	15	67.1 Å²	67.1	8%	0.079	33%	0.333	C	S	.	.	H	α-helix	trans	-73	-22.3	178.7	-67.4	-176.5	0	0	0	114.1	V32 Q33 P34 Q38 K39 L72 Q75 L76 M79	V32-L36 HydrophobicContact CG1-CD1 3.9Å; V32-L36 HydrophobicContact CG1-CG 4.06Å; V32-L36 PolarHBondContact O-N 3.24Å; Q33-L36 CarbonylContact O-C 3.57Å; Q33-L36 PolarHBondContact O-N 3.32Å; Q33-L36 VanDerWaalsContact O-N 3.13Å; P34-L36 VanDerWaalsContact C-N 3.29Å; P34-L36 PolarHBondContact O-N 3.27Å; L36-Q38 VanDerWaalsContact C-N 3.35Å; L36-K39 WeakPolarHBondContact O-CB 3.36Å; L36-K39 PolarHBondContact O-N 3.27Å; L36-L72 HydrophobicContact CD1-CD2 3.48Å; L36-L72 VanDerWaalsContact CD1-CD2 3.48Å; L36-Q75 HydrophobicContact CD1-CB 3.93Å; L36-Q75 HydrophobicContact CD2-CB 3.75Å; L36-L76 HydrophobicContact CD2-CD2 3.69Å; L36-L76 HydrophobicContact CD2-CG 4.11Å; L36-L76 HydrophobicContact CG-CD2 4.22Å; L36-M79 HydrophobicContact CD2-CE 3.97Å; L36-M79 HydrophobicContact CD2-SD 3.76Å
37	Q	84.4	Confident	78.1	Confident	141 Å²	141	66.7 Å²	66.7	66%	0.659	33%	0.331	S	S	*	.	H	α-helix	trans	-68.9	-35.2	170.9	-74.4	170.4	-11.6	0	0	111.2	Q33 P34 K39	Q33-Q37 WeakPolarHBondContact O-CG 3.4Å; Q33-Q37 PolarHBondContact O-N 3.11Å; P34-Q37 PolarHBondContact O-N 3.16Å; Q37-K39 PolarHBondContact O-N 3.22Å; Q37-K39 VanDerWaalsContact O-N 3.12Å
38	Q	80.5	Confident	77.5	Confident	60 Å²	60	63.6 Å²	63.6	28%	0.28	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-64.8	-12.8	173.9	-59.2	-174.6	35.6	0	0	113.3	P34 L35 L36 D40 T41 I42 L53	P34-Q38 PolarHBondContact O-N 2.96Å; L35-Q38 PolarHBondContact O-N 3.06Å; L36-Q38 VanDerWaalsContact C-N 3.35Å; Q38-D40 PolarHBondContact O-N 2.8Å; Q38-T41 CarbonylContact O-C 3.45Å; Q38-T41 WeakPolarHBondContact O-CA 3.34Å; Q38-T41 PolarHBondContact O-N 2.85Å; Q38-T41 PolarHBondContact O-OG1 3.18Å; Q38-T41 VanDerWaalsContact O-OG1 3.12Å; Q38-I42 WeakPolarHBondContact O-CG1 3.33Å; Q38-I42 PolarHBondContact O-N 2.71Å; Q38-L53 HydrophobicContact CB-CD2 4.1Å
39	K	77.2	Confident	77.3	Confident	81 Å²	81	69 Å²	69	35%	0.352	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-48.7	-39.4	-177.8	-169.2	-164.5	97.2	-73.4	0	113.7	L36 Q37 M79	L36-K39 WeakPolarHBondContact O-CB 3.36Å; L36-K39 PolarHBondContact O-N 3.27Å; Q37-K39 PolarHBondContact O-N 3.22Å; Q37-K39 VanDerWaalsContact O-N 3.12Å; K39-M79 HydrophobicContact CB-SD 3.77Å; K39-M79 HydrophobicContact CG-CG 4.33Å; K39-M79 HydrophobicContact CG-SD 4.1Å
40	D	72.3	Confident	76.9	Confident	106 Å²	106	66.2 Å²	66.2	57%	0.567	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-88.6	-7.9	-177.7	-61.6	-55.6	0	0	0	113.2	Q38 H43	Q38-D40 PolarHBondContact O-N 2.8Å; D40-H43 PolarHBondContact O-CE1 2.73Å; D40-H43 PolarHBondContact O-ND1 2.82Å
41	T	76.5	Confident	76.3	Confident	65 Å²	65	62.9 Å²	62.9	40%	0.399	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	1.3	175	58.2	0	0	0	0	114.2	Q38 H43 L44 L45	Q38-T41 CarbonylContact O-C 3.45Å; Q38-T41 WeakPolarHBondContact O-CA 3.34Å; Q38-T41 PolarHBondContact O-N 2.85Å; Q38-T41 PolarHBondContact O-OG1 3.18Å; Q38-T41 VanDerWaalsContact O-OG1 3.12Å; T41-H43 PolarHBondContact O-N 2.86Å; T41-L44 CarbonylContact O-C 3.25Å; T41-L44 VanDerWaalsContact O-CA 3.28Å; T41-L44 WeakPolarHBondContact O-CA 3.43Å; T41-L44 WeakPolarHBondContact O-CB 3.34Å; T41-L44 PolarHBondContact O-N 2.78Å; T41-L45 PolarHBondContact O-N 2.9Å
42	I	72.5	Confident	76.1	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-56.2	-37.7	-178.8	-53.5	-167.2	0	0	0	112.8	Q38 L44 L45 Q50 L53 M79 Y82 L83 L86	Q38-I42 WeakPolarHBondContact O-CG1 3.33Å; Q38-I42 PolarHBondContact O-N 2.71Å; I42-L44 PolarHBondContact O-N 2.66Å; I42-L45 WeakPolarHBondContact O-CB 3.01Å; I42-L45 PolarHBondContact O-N 3.4Å; I42-L45 VanDerWaalsContact O-N 3.1Å; I42-Q50 HydrophobicContact CG2-CG 4.42Å; I42-L53 HydrophobicContact CD1-CD2 3.64Å; I42-L53 HydrophobicContact CG1-CD2 3.73Å; I42-L53 HydrophobicContact CG2-CD2 4.31Å; I42-M79 HydrophobicContact CD1-CG 3.27Å; I42-M79 HydrophobicContact CD1-SD 3.97Å; I42-Y82 HydrophobicContact CB-CD1 4.38Å; I42-Y82 HydrophobicContact CB-CE1 4.3Å; I42-L83 HydrophobicContact CD1-CD1 4.29Å; I42-L83 HydrophobicContact CD1-CD2 4.45Å; I42-L83 HydrophobicContact CD1-CG 4.19Å; I42-L83 HydrophobicContact CG2-CD2 3.38Å; I42-L83 HydrophobicContact CG2-CG 3.99Å; I42-L86 HydrophobicContact CB-CD1 4.34Å; I42-L86 HydrophobicContact CG2-CD1 3.6Å
43	H	70.1	Confident	76.1	Confident	95 Å²	95	64.1 Å²	64.1	44%	0.44	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-72.7	-6.4	176.8	68.7	-81.3	0	0	0	113.6	D40 T41	D40-H43 PolarHBondContact O-CE1 2.73Å; D40-H43 PolarHBondContact O-ND1 2.82Å; T41-H43 PolarHBondContact O-N 2.86Å
44	L	64.6	Low	75.9	Confident	110 Å²	110	59.9 Å²	59.9	58%	0.576	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-108.8	9.2	173	-48.8	176.6	0	0	0	111.5	T41 I42	T41-L44 CarbonylContact O-C 3.25Å; T41-L44 VanDerWaalsContact O-CA 3.28Å; T41-L44 WeakPolarHBondContact O-CA 3.43Å; T41-L44 WeakPolarHBondContact O-CB 3.34Å; T41-L44 PolarHBondContact O-N 2.78Å; I42-L44 PolarHBondContact O-N 2.66Å
45	L	67.3	Low	75.6	Confident	25 Å²	25	59.3 Å²	59.3	13%	0.131	30%	0.302	C	S	.	.	S	Bend	trans	-93.5	134.3	166.6	-61.9	-179.9	0	0	0	109	T41 I42 K49 Q50 L53 F628	T41-L45 PolarHBondContact O-N 2.9Å; I42-L45 WeakPolarHBondContact O-CB 3.01Å; I42-L45 PolarHBondContact O-N 3.4Å; I42-L45 VanDerWaalsContact O-N 3.1Å; L45-K49 HydrophobicContact CB-CB 3.83Å; L45-K49 HydrophobicContact CD2-CB 4.26Å; L45-K49 HydrophobicContact CD2-CD 4.3Å; L45-K49 HydrophobicContact CG-CB 4.44Å; L45-Q50 HydrophobicContact CB-CG 3.94Å; L45-Q50 WeakPolarHBondContact O-CG 3.43Å; L45-Q50 PolarHBondContact O-NE2 3.18Å; L45-L53 HydrophobicContact CD1-CB 4.26Å; L45-L53 HydrophobicContact CD1-CD2 3.65Å; L45-F628 WeakPolarHBondContact O-CE1 3.38Å; L45-F628 WeakPolarHBondContact O-CZ 3.37Å
46	S	71.6	Confident	75.5	Confident	38 Å²	38	62.9 Å²	62.9	27%	0.266	32%	0.318	S	S	.	.			trans	-61.8	158.7	173.8	64.2	0	0	0	0	111.4	G48 K49 Q50	S46-G48 PolarHBondContact O-N 2.77Å; S46-K49 CarbonylContact O-C 3.55Å; S46-K49 WeakPolarHBondContact O-CA 3.43Å; S46-K49 PolarHBondContact O-N 2.72Å; S46-Q50 PolarHBondContact O-N 3.41Å
47	H	67.4	Low	75.5	Confident	93 Å²	93	62.2 Å²	62.2	43%	0.431	32%	0.315	S	S	.	.	H	α-helix	trans	-52.6	-36	-176.8	-174	-93.6	0	0	0	113.4	Q50 L51	H47-Q50 PolarHBondContact O-N 3.07Å; H47-L51 WeakPolarHBondContact O-CG 3.21Å; H47-L51 PolarHBondContact O-N 3.38Å
48	G	68.5	Low	75.4	Confident	38 Å²	38	56.1 Å²	56.1	39%	0.392	29%	0.286	S	S	.	.	H	α-helix	trans	-60.5	-52.2	171.2	0	0	0	0	0	112.8	S46 Q50 L51 E52	S46-G48 PolarHBondContact O-N 2.77Å; G48-Q50 VanDerWaalsContact C-N 3.28Å; G48-Q50 PolarHBondContact O-N 3.06Å; G48-L51 WeakPolarHBondContact O-CB 3.49Å; G48-L51 PolarHBondContact O-N 3.41Å; G48-E52 WeakPolarHBondContact O-CG 3.3Å; G48-E52 PolarHBondContact O-N 3.29Å
49	K	77.3	Confident	75.5	Confident	115 Å²	115	57.1 Å²	57.1	50%	0.5	30%	0.296	S	S	.	.	H	α-helix	trans	-64.5	-28.3	176.8	-69.6	179.4	179	177.2	0	113.3	L45 S46 E52 L53	L45-K49 HydrophobicContact CB-CB 3.83Å; L45-K49 HydrophobicContact CD2-CB 4.26Å; L45-K49 HydrophobicContact CD2-CD 4.3Å; L45-K49 HydrophobicContact CG-CB 4.44Å; S46-K49 CarbonylContact O-C 3.55Å; S46-K49 WeakPolarHBondContact O-CA 3.43Å; S46-K49 PolarHBondContact O-N 2.72Å; K49-E52 WeakPolarHBondContact CA-OE2 3.38Å; K49-L53 WeakPolarHBondContact O-CB 3.31Å; K49-L53 PolarHBondContact O-N 3.04Å
50	Q	74.6	Confident	75.8	Confident	14 Å²	14	53.8 Å²	53.8	7%	0.065	28%	0.284	C	S	.	.	H	α-helix	trans	-69.1	-37.9	170.7	-67	-179.1	30.1	0	0	112	I42 L45 S46 H47 G48 F54 L83 L86	I42-Q50 HydrophobicContact CG2-CG 4.42Å; L45-Q50 HydrophobicContact CB-CG 3.94Å; L45-Q50 WeakPolarHBondContact O-CG 3.43Å; L45-Q50 PolarHBondContact O-NE2 3.18Å; S46-Q50 PolarHBondContact O-N 3.41Å; H47-Q50 PolarHBondContact O-N 3.07Å; G48-Q50 VanDerWaalsContact C-N 3.28Å; G48-Q50 PolarHBondContact O-N 3.06Å; Q50-F54 VanDerWaalsContact O-CB 3.23Å; Q50-F54 WeakPolarHBondContact O-CB 3.34Å; Q50-F54 PolarHBondContact O-N 3.21Å; Q50-L83 HydrophobicContact CB-CD2 4.12Å; Q50-L83 WeakPolarHBondContact O-CD2 3.31Å; Q50-L86 VanDerWaalsContact OE1-CB 3.26Å
51	L	70.1	Confident	76.2	Confident	53 Å²	53	48.9 Å²	48.9	28%	0.277	26%	0.258	S	S	.	.	H	α-helix	trans	-69	-39.9	173.2	-70.1	174.2	0	0	0	111.8	H47 G48 F54 E55 T87	H47-L51 WeakPolarHBondContact O-CG 3.21Å; H47-L51 PolarHBondContact O-N 3.38Å; G48-L51 WeakPolarHBondContact O-CB 3.49Å; G48-L51 PolarHBondContact O-N 3.41Å; L51-F54 WeakPolarHBondContact O-CB 3.5Å; L51-F54 PolarHBondContact O-N 3.11Å; L51-E55 WeakPolarHBondContact O-CG 3.1Å; L51-E55 PolarHBondContact O-N 3.26Å; L51-T87 HydrophobicContact CD2-CG2 4.43Å
52	E	79.1	Confident	76.3	Confident	122 Å²	122	48.4 Å²	48.4	57%	0.57	26%	0.255	S	S	*	.	H	α-helix	trans	-58.7	-53.4	172.5	-69.1	166.5	171.5	0	0	110.8	G48 K49 F54 E55 E56	G48-E52 WeakPolarHBondContact O-CG 3.3Å; G48-E52 PolarHBondContact O-N 3.29Å; K49-E52 WeakPolarHBondContact CA-OE2 3.38Å; E52-F54 VanDerWaalsContact C-N 3.29Å; E52-F54 PolarHBondContact O-N 3.31Å; E52-E55 PolarHBondContact O-N 2.87Å; E52-E55 VanDerWaalsContact O-N 3.08Å; E52-E56 WeakPolarHBondContact O-CG 3.35Å; E52-E56 PolarHBondContact O-N 3.21Å
53	L	82.7	Confident	76.7	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-63.4	-33.2	177	-176.7	62.7	0	0	0	112.5	L35 Q38 I42 L45 K49 V57 L83	L35-L53 HydrophobicContact CD2-CD1 3.99Å; Q38-L53 HydrophobicContact CB-CD2 4.1Å; I42-L53 HydrophobicContact CD1-CD2 3.64Å; I42-L53 HydrophobicContact CG1-CD2 3.73Å; I42-L53 HydrophobicContact CG2-CD2 4.31Å; L45-L53 HydrophobicContact CD1-CB 4.26Å; L45-L53 HydrophobicContact CD1-CD2 3.65Å; K49-L53 WeakPolarHBondContact O-CB 3.31Å; K49-L53 PolarHBondContact O-N 3.04Å; L53-V57 HydrophobicContact CD1-CG2 3.81Å; L53-V57 HydrophobicContact CG-CG2 4.09Å; L53-V57 WeakPolarHBondContact O-CB 3.46Å; L53-V57 WeakPolarHBondContact O-CG2 3.23Å; L53-V57 PolarHBondContact O-N 3.18Å; L53-L83 HydrophobicContact CB-CD2 4.49Å; L53-L83 HydrophobicContact CD2-CD1 4.32Å; L53-L83 HydrophobicContact CD2-CD2 4.36Å; L53-L83 HydrophobicContact CG-CD1 4.1Å
54	F	80.1	Confident	77.3	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.009	27%	0.27	C	S	.	.	H	α-helix	trans	-60.5	-45.3	171.8	170.9	-83.8	0	0	0	111.4	Q50 L51 E52 F58 L80 L83 V165 L173	Q50-F54 VanDerWaalsContact O-CB 3.23Å; Q50-F54 WeakPolarHBondContact O-CB 3.34Å; Q50-F54 PolarHBondContact O-N 3.21Å; L51-F54 WeakPolarHBondContact O-CB 3.5Å; L51-F54 PolarHBondContact O-N 3.11Å; E52-F54 VanDerWaalsContact C-N 3.29Å; E52-F54 PolarHBondContact O-N 3.31Å; F54-F58 WeakPolarHBondContact O-CB 3.12Å; F54-F58 PolarHBondContact O-N 3.35Å; F54-L80 HydrophobicContact CD2-CD1 3.36Å; F54-L80 HydrophobicContact CD2-CG 4.47Å; F54-L80 HydrophobicContact CE2-CD1 3.61Å; F54-L80 HydrophobicContact CE2-CG 4.35Å; F54-L80 HydrophobicContact CG-CD1 4.05Å; F54-L80 HydrophobicContact CZ-CD1 4.48Å; F54-L83 HydrophobicContact CB-CB 4.5Å; F54-L83 HydrophobicContact CB-CD1 4.49Å; F54-L83 HydrophobicContact CD2-CB 4.33Å; F54-V165 HydrophobicContact CD1-CG2 4.23Å; F54-V165 HydrophobicContact CE1-CB 4.47Å; F54-V165 HydrophobicContact CE1-CG1 3.91Å; F54-V165 HydrophobicContact CE1-CG2 3.71Å; F54-V165 HydrophobicContact CZ-CG1 4.24Å; F54-V165 HydrophobicContact CZ-CG2 4.34Å; F54-L173 HydrophobicContact CE2-CD1 4.24Å; F54-L173 HydrophobicContact CZ-CD1 3.87Å
55	E	79.9	Confident	77.8	Confident	51 Å²	51	48.7 Å²	48.7	24%	0.238	26%	0.262	C	S	.	.	H	α-helix	trans	-69.8	-39	178.3	-73.1	-69.3	179.7	0	0	112.5	L51 E52 T59 K169	L51-E55 WeakPolarHBondContact O-CG 3.1Å; L51-E55 PolarHBondContact O-N 3.26Å; E52-E55 PolarHBondContact O-N 2.87Å; E52-E55 VanDerWaalsContact O-N 3.08Å; E55-T59 WeakPolarHBondContact O-CB 3.48Å; E55-T59 PolarHBondContact O-N 2.93Å; E55-T59 PolarHBondContact O-OG1 3.29Å; E55-K169 WeakPolarHBondContact OE1-CD 3.33Å; E55-K169 IonicContact OE1-NZ 2.77Å; E55-K169 PolarHBondContact OE1-NZ 3.01Å; E55-K169 IonicContact OE2-NZ 3.04Å; E55-K169 PolarHBondContact OE2-NZ 2.81Å
56	E	85.3	Confident	78.2	Confident	95 Å²	95	54.9 Å²	54.9	44%	0.444	29%	0.29	S	S	.	.	H	α-helix	trans	-61.6	-50.6	172.9	-71.5	-176.9	163.4	0	0	111.6	L35 E52 F58 T59 A60	L35-E56 HydrophobicContact CD2-CB 4Å; L35-E56 WeakPolarHBondContact CD2-OE2 3.26Å; E52-E56 WeakPolarHBondContact O-CG 3.35Å; E52-E56 PolarHBondContact O-N 3.21Å; E56-F58 PolarHBondContact O-N 2.89Å; E56-T59 PolarHBondContact O-N 2.74Å; E56-A60 WeakPolarHBondContact O-CB 3.33Å; E56-A60 PolarHBondContact O-N 2.89Å
57	V	83.8	Confident	78.6	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-65.5	-40.1	-179.9	171.3	0	0	0	0	111.1	L35 L53 M61 L76 M79 L80 L83	L35-V57 HydrophobicContact CB-CG2 4.35Å; L35-V57 HydrophobicContact CD1-CG2 4.33Å; L53-V57 HydrophobicContact CD1-CG2 3.81Å; L53-V57 HydrophobicContact CG-CG2 4.09Å; L53-V57 WeakPolarHBondContact O-CB 3.46Å; L53-V57 WeakPolarHBondContact O-CG2 3.23Å; L53-V57 PolarHBondContact O-N 3.18Å; V57-M61 WeakPolarHBondContact O-CB 3.43Å; V57-M61 VanDerWaalsContact O-CG 3.29Å; V57-M61 WeakPolarHBondContact O-CG 3.31Å; V57-M61 PolarHBondContact O-N 3.43Å; V57-L76 HydrophobicContact CG1-CB 4.44Å; V57-L76 HydrophobicContact CG1-CD2 4.01Å; V57-L76 HydrophobicContact CG2-CD2 4.49Å; V57-M79 HydrophobicContact CB-CE 4.49Å; V57-M79 HydrophobicContact CG1-CE 4.38Å; V57-M79 HydrophobicContact CG2-CE 3.27Å; V57-L80 HydrophobicContact CB-CD1 4.27Å; V57-L80 HydrophobicContact CG1-CB 3.88Å; V57-L80 HydrophobicContact CG1-CD1 3.93Å; V57-L80 HydrophobicContact CG1-CD2 4.24Å; V57-L80 HydrophobicContact CG1-CG 4.25Å; V57-L83 HydrophobicContact CG2-CD1 4.42Å
58	F	81.4	Confident	79.2	Confident	13 Å²	13	54.4 Å²	54.4	6%	0.057	28%	0.282	C	S	.	.	H	α-helix	trans	-60.9	-49.1	172.4	171.7	-105	0	0	0	111	F54 E56 A60 M61 V62 K169 L172 L173	F54-F58 WeakPolarHBondContact O-CB 3.12Å; F54-F58 PolarHBondContact O-N 3.35Å; E56-F58 PolarHBondContact O-N 2.89Å; F58-A60 PolarHBondContact O-N 3.46Å; F58-M61 CarbonylContact O-C 3.59Å; F58-M61 PolarHBondContact O-N 3.09Å; F58-M61 VanDerWaalsContact O-N 3.16Å; F58-V62 HydrophobicContact CD1-CG2 4.43Å; F58-V62 HydrophobicContact CD2-CG2 4.14Å; F58-V62 HydrophobicContact CE1-CG2 4.02Å; F58-V62 HydrophobicContact CE2-CG2 3.72Å; F58-V62 HydrophobicContact CG-CG2 4.49Å; F58-V62 HydrophobicContact CZ-CG2 3.65Å; F58-V62 VanDerWaalsContact O-CG2 3.3Å; F58-V62 WeakPolarHBondContact O-CG2 3.4Å; F58-V62 PolarHBondContact O-N 3.04Å; F58-K169 HydrophobicContact CD1-CD 4.19Å; F58-K169 HydrophobicContact CD1-CG 4.43Å; F58-K169 HydrophobicContact CE1-CB 3.79Å; F58-K169 HydrophobicContact CE1-CD 3.78Å; F58-K169 HydrophobicContact CE1-CG 3.59Å; F58-K169 HydrophobicContact CE2-CB 4.14Å; F58-K169 WeakPolarHBondContact CE2-O 3.41Å; F58-K169 HydrophobicContact CZ-CB 3.56Å; F58-K169 HydrophobicContact CZ-CD 4.43Å; F58-K169 HydrophobicContact CZ-CG 3.8Å; F58-L172 HydrophobicContact CE2-CB 4.35Å; F58-L172 HydrophobicContact CE2-CD2 4.43Å; F58-L172 HydrophobicContact CZ-CB 4.29Å; F58-L172 HydrophobicContact CZ-CD2 3.92Å; F58-L173 HydrophobicContact CD2-CD1 3.85Å; F58-L173 HydrophobicContact CD2-CD2 4.28Å; F58-L173 HydrophobicContact CD2-CG 3.7Å; F58-L173 HydrophobicContact CE2-CD1 4.23Å; F58-L173 HydrophobicContact CE2-CG 3.85Å
59	T	83.3	Confident	79.8	Confident	81 Å²	81	54 Å²	54	50%	0.497	27%	0.272	S	S	.	.	H	α-helix	trans	-60.8	-45.5	-179.7	-61.4	0	0	0	0	111.5	E55 E56 M61 V62 A63	E55-T59 WeakPolarHBondContact O-CB 3.48Å; E55-T59 PolarHBondContact O-N 2.93Å; E55-T59 PolarHBondContact O-OG1 3.29Å; E56-T59 PolarHBondContact O-N 2.74Å; T59-M61 PolarHBondContact O-N 3.11Å; T59-V62 PolarHBondContact O-N 2.92Å; T59-A63 WeakPolarHBondContact O-CB 3.35Å; T59-A63 PolarHBondContact O-N 3.25Å
60	A	83.7	Confident	79.8	Confident	12 Å²	12	52.2 Å²	52.2	10%	0.099	27%	0.268	C	S	.	.	H	α-helix	trans	-62	-41.3	174.4	0	0	0	0	0	112.4	L35 E56 F58 V62 Y64	L35-A60 HydrophobicContact CD1-CB 3.99Å; E56-A60 WeakPolarHBondContact O-CB 3.33Å; E56-A60 PolarHBondContact O-N 2.89Å; F58-A60 PolarHBondContact O-N 3.46Å; A60-V62 VanDerWaalsContact C-N 3.28Å; A60-V62 PolarHBondContact O-N 2.82Å; A60-Y64 HydrophobicContact CB-CD2 4.45Å; A60-Y64 WeakPolarHBondContact O-CD2 3.48Å; A60-Y64 PolarHBondContact O-N 3Å; A60-Y64 VanDerWaalsContact O-N 3.08Å
61	M	81	Confident	80.1	Confident	3 Å²	3	58.3 Å²	58.3	2%	0.015	30%	0.297	C	S	.	.	H	α-helix	trans	-66.8	-26.2	175.3	-78.4	-152.2	76.1	0	0	113.9	V57 F58 T59 K65 L76 R77 L80 I176	V57-M61 WeakPolarHBondContact O-CB 3.43Å; V57-M61 VanDerWaalsContact O-CG 3.29Å; V57-M61 WeakPolarHBondContact O-CG 3.31Å; V57-M61 PolarHBondContact O-N 3.43Å; F58-M61 CarbonylContact O-C 3.59Å; F58-M61 PolarHBondContact O-N 3.09Å; F58-M61 VanDerWaalsContact O-N 3.16Å; T59-M61 PolarHBondContact O-N 3.11Å; M61-K65 WeakPolarHBondContact O-CA 3.33Å; M61-L76 HydrophobicContact CG-CB 3.79Å; M61-L76 HydrophobicContact CG-CD1 3.91Å; M61-L76 HydrophobicContact CG-CG 4.44Å; M61-L76 HydrophobicContact SD-CB 3.81Å; M61-R77 HydrophobicContact CE-CG 3.6Å; M61-R77 HydrophobicContact SD-CG 4.24Å; M61-L80 HydrophobicContact SD-CD2 3.98Å; M61-I176 HydrophobicContact CE-CG2 3.45Å; M61-I176 VanDerWaalsContact CE-CG2 3.45Å; M61-I176 HydrophobicContact SD-CG2 4.43Å
62	V	78	Confident	80.7	Confident	55 Å²	55	56.3 Å²	56.3	33%	0.333	29%	0.286	S	S	.	.	H	α-helix	trans	-81	-53.2	175.2	171.3	0	0	0	0	110.8	F58 T59 A60 Y64 K65 L172 I176	F58-V62 HydrophobicContact CD1-CG2 4.43Å; F58-V62 HydrophobicContact CD2-CG2 4.14Å; F58-V62 HydrophobicContact CE1-CG2 4.02Å; F58-V62 HydrophobicContact CE2-CG2 3.72Å; F58-V62 HydrophobicContact CG-CG2 4.49Å; F58-V62 HydrophobicContact CZ-CG2 3.65Å; F58-V62 VanDerWaalsContact O-CG2 3.3Å; F58-V62 WeakPolarHBondContact O-CG2 3.4Å; F58-V62 PolarHBondContact O-N 3.04Å; T59-V62 PolarHBondContact O-N 2.92Å; A60-V62 VanDerWaalsContact C-N 3.28Å; A60-V62 PolarHBondContact O-N 2.82Å; V62-Y64 PolarHBondContact O-N 3.17Å; V62-K65 WeakPolarHBondContact O-CB 3.49Å; V62-K65 PolarHBondContact O-N 3.33Å; V62-L172 HydrophobicContact CG1-CD2 4.02Å; V62-L172 HydrophobicContact CG2-CD2 3.6Å; V62-L172 HydrophobicContact CG2-CG 4.44Å; V62-I176 HydrophobicContact CG2-CD1 3.76Å
63	A	81.3	Confident	80.7	Confident	68 Å²	68	52.8 Å²	52.8	56%	0.562	27%	0.268	S	S	*	.	H	α-helix	trans	-60.9	-45.8	-176.5	0	0	0	0	0	112.2	T59	T59-A63 WeakPolarHBondContact O-CB 3.35Å; T59-A63 PolarHBondContact O-N 3.25Å
64	Y	82	Confident	80.6	Confident	49 Å²	49	57.8 Å²	57.8	19%	0.192	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101	17.5	-175.7	-52.8	-63.3	0	0	0	113.2	I28 M31 A60 V62 E66 K67 L68	I28-Y64 HydrophobicContact CD1-CD1 3.71Å; I28-Y64 HydrophobicContact CD1-CE1 4.32Å; I28-Y64 HydrophobicContact CD1-CG 4.34Å; I28-Y64 HydrophobicContact CG1-CD1 3.61Å; I28-Y64 HydrophobicContact CG1-CE1 3.85Å; I28-Y64 HydrophobicContact CG1-CG 4.18Å; I28-Y64 HydrophobicContact CG2-CD1 4.4Å; I28-Y64 HydrophobicContact CG2-CD2 4.5Å; I28-Y64 HydrophobicContact CG2-CG 4.1Å; M31-Y64 VanDerWaalsContact CE-OH 3.27Å; M31-Y64 WeakPolarHBondContact CE-OH 3.29Å; A60-Y64 HydrophobicContact CB-CD2 4.45Å; A60-Y64 WeakPolarHBondContact O-CD2 3.48Å; A60-Y64 PolarHBondContact O-N 3Å; A60-Y64 VanDerWaalsContact O-N 3.08Å; V62-Y64 PolarHBondContact O-N 3.17Å; Y64-E66 VanDerWaalsContact C-N 3.3Å; Y64-E66 PolarHBondContact O-N 3.32Å; Y64-K67 PolarHBondContact O-N 3.49Å; Y64-K67 VanDerWaalsContact O-N 3.11Å; Y64-L68 VanDerWaalsContact O-CB 3.28Å; Y64-L68 WeakPolarHBondContact O-CB 3.35Å; Y64-L68 WeakPolarHBondContact O-CG 3.44Å; Y64-L68 PolarHBondContact O-N 2.97Å
65	K	75.7	Confident	80.7	Confident	93 Å²	93	60.8 Å²	60.8	40%	0.404	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-38.6	-52.2	-172.4	178	-171.6	172.5	-157.4	0	114.6	M61 V62 R73	M61-K65 WeakPolarHBondContact O-CA 3.33Å; V62-K65 WeakPolarHBondContact O-CB 3.49Å; V62-K65 PolarHBondContact O-N 3.33Å; K65-R73 PolarHBondContact O-NE 3.27Å; K65-R73 PolarHBondContact O-NH2 3.12Å
66	E	75.5	Confident	80.7	Confident	155 Å²	155	58.3 Å²	58.3	72%	0.724	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-34.7	-175.4	-61.2	-174	179.2	0	0	112.3	Y64 R73	Y64-E66 VanDerWaalsContact C-N 3.3Å; Y64-E66 PolarHBondContact O-N 3.32Å; E66-R73 PolarHBondContact O-NH2 3.41Å
67	K	80.4	Confident	80.4	Confident	117 Å²	117	57.3 Å²	57.3	51%	0.509	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-22.9	-178.9	-53.4	-164.3	178.7	-161.2	0	114.4	E24 I28 Y64 P69	E24-K67 HydrophobicContact CG-CD 4.46Å; E24-K67 WeakPolarHBondContact OE1-CD 3.43Å; E24-K67 IonicContact OE1-NZ 2.59Å; E24-K67 PolarHBondContact OE1-NZ 2.6Å; E24-K67 WeakPolarHBondContact OE2-CD 3.33Å; E24-K67 WeakPolarHBondContact OE2-CE 3.35Å; E24-K67 IonicContact OE2-NZ 3Å; E24-K67 PolarHBondContact OE2-NZ 3.43Å; I28-K67 HydrophobicContact CD1-CB 3.52Å; I28-K67 HydrophobicContact CD1-CD 4.14Å; I28-K67 HydrophobicContact CD1-CG 4.46Å; Y64-K67 PolarHBondContact O-N 3.49Å; Y64-K67 VanDerWaalsContact O-N 3.11Å; K67-P69 WeakPolarHBondContact O-CD 3.38Å
68	L	79.1	Confident	80	Confident	4 Å²	4	66.3 Å²	66.3	2%	0.021	32%	0.318	C	S	.	.	S	Bend	trans	-56.5	121.1	178.8	-98.5	162.4	0	0	0	112.3	I28 V32 Y64 L72 R73 L76	I28-L68 HydrophobicContact CG2-CD2 4.39Å; V32-L68 HydrophobicContact CG2-CD2 4.22Å; Y64-L68 VanDerWaalsContact O-CB 3.28Å; Y64-L68 WeakPolarHBondContact O-CB 3.35Å; Y64-L68 WeakPolarHBondContact O-CG 3.44Å; Y64-L68 PolarHBondContact O-N 2.97Å; L68-L72 HydrophobicContact CD2-CB 3.68Å; L68-L72 HydrophobicContact CD2-CD1 4.19Å; L68-R73 HydrophobicContact CB-CB 4.31Å; L68-R73 PolarHBondContact O-NH1 2.89Å; L68-R73 PolarHBondContact O-NH2 3.3Å; L68-R73 VanDerWaalsContact O-NH2 3.08Å; L68-L76 HydrophobicContact CD1-CD1 4.01Å; L68-L76 HydrophobicContact CD2-CD1 3.87Å
69	P	82.2	Confident	80	Confident	29 Å²	29	65.8 Å²	65.8	19%	0.188	32%	0.316	C	S	.	.			trans	-52.6	140.6	169	-27.5	34.9	0	0	0	111.8	K25 E29 K67 Q71 L72 R73	K25-P69 HydrophobicContact CD-CG 4.46Å; K25-P69 HydrophobicContact CG-CG 4.24Å; E29-P69 HydrophobicContact CG-CG 4.32Å; K67-P69 WeakPolarHBondContact O-CD 3.38Å; P69-Q71 PolarHBondContact O-N 3.12Å; P69-L72 HydrophobicContact CG-CD1 4.33Å; P69-L72 PolarHBondContact O-N 3.35Å; P69-L72 VanDerWaalsContact O-N 3.1Å; P69-R73 WeakPolarHBondContact O-CB 3.13Å; P69-R73 PolarHBondContact O-N 3.42Å
70	D	76.6	Confident	79.7	Confident	78 Å²	78	61.9 Å²	61.9	42%	0.417	29%	0.292	S	S	.	.	H	α-helix	trans	-68	-12.4	-169.4	-147.2	52.1	0	0	0	113.5	R73 K74	D70-R73 IonicContact OD1-CZ 2.7Å; D70-R73 IonicContact OD1-NH1 3.35Å; D70-R73 PolarHBondContact OD1-NH1 3.2Å; D70-K74 WeakPolarHBondContact O-CD 3.41Å; D70-K74 VanDerWaalsContact O-CE 3.25Å; D70-K74 WeakPolarHBondContact O-CE 3.4Å; D70-K74 WeakPolarHBondContact O-CG 3.02Å; D70-K74 PolarHBondContact O-N 2.81Å; D70-K74 PolarHBondContact O-NZ 2.94Å; D70-K74 WeakPolarHBondContact OD2-CE 3.37Å; D70-K74 IonicContact OD2-NZ 2.79Å; D70-K74 PolarHBondContact OD2-NZ 3.44Å
71	Q	81.3	Confident	79.1	Confident	142 Å²	142	67.5 Å²	67.5	66%	0.664	31%	0.311	S	S	*	.	H	α-helix	trans	-75.8	-57.3	168.7	177.6	165.1	-38.8	0	0	111.7	P69 R73 K74 Q75	P69-Q71 PolarHBondContact O-N 3.12Å; Q71-R73 VanDerWaalsContact C-N 3.28Å; Q71-R73 PolarHBondContact O-N 3.13Å; Q71-K74 WeakPolarHBondContact O-CA 3.29Å; Q71-K74 WeakPolarHBondContact O-CB 3.47Å; Q71-K74 PolarHBondContact O-N 2.92Å; Q71-Q75 PolarHBondContact O-N 3.38Å; Q71-Q75 PolarHBondContact O-OE1 2.7Å
72	L	81.9	Confident	78.6	Confident	11 Å²	11	71.6 Å²	71.6	6%	0.058	33%	0.327	C	S	.	.	H	α-helix	trans	-56.7	-43.6	174.4	-65.1	-173.3	0	0	0	111.2	E29 V32 L36 L68 P69 K74 Q75 L76	E29-L72 HydrophobicContact CB-CD1 4.39Å; E29-L72 HydrophobicContact CG-CD1 3.71Å; V32-L72 HydrophobicContact CB-CD1 4.07Å; V32-L72 HydrophobicContact CG1-CB 4.33Å; V32-L72 HydrophobicContact CG1-CD1 3.91Å; V32-L72 HydrophobicContact CG1-CD2 4.19Å; V32-L72 HydrophobicContact CG1-CG 4.39Å; L36-L72 HydrophobicContact CD1-CD2 3.48Å; L36-L72 VanDerWaalsContact CD1-CD2 3.48Å; L68-L72 HydrophobicContact CD2-CB 3.68Å; L68-L72 HydrophobicContact CD2-CD1 4.19Å; P69-L72 HydrophobicContact CG-CD1 4.33Å; P69-L72 PolarHBondContact O-N 3.35Å; P69-L72 VanDerWaalsContact O-N 3.1Å; L72-K74 PolarHBondContact O-N 2.84Å; L72-Q75 PolarHBondContact O-N 2.92Å; L72-L76 PolarHBondContact O-N 3.35Å
73	R	79.5	Confident	78.2	Confident	48 Å²	48	69 Å²	69	18%	0.181	31%	0.311	C	S	.	.	H	α-helix	trans	-56.7	-33.8	175.1	-167.5	-174.7	-78.1	136.5	-4.3	112.3	K65 E66 L68 P69 D70 Q71 R77	K65-R73 PolarHBondContact O-NE 3.27Å; K65-R73 PolarHBondContact O-NH2 3.12Å; E66-R73 PolarHBondContact O-NH2 3.41Å; L68-R73 HydrophobicContact CB-CB 4.31Å; L68-R73 PolarHBondContact O-NH1 2.89Å; L68-R73 PolarHBondContact O-NH2 3.3Å; L68-R73 VanDerWaalsContact O-NH2 3.08Å; P69-R73 WeakPolarHBondContact O-CB 3.13Å; P69-R73 PolarHBondContact O-N 3.42Å; D70-R73 IonicContact OD1-CZ 2.7Å; D70-R73 IonicContact OD1-NH1 3.35Å; D70-R73 PolarHBondContact OD1-NH1 3.2Å; Q71-R73 VanDerWaalsContact C-N 3.28Å; Q71-R73 PolarHBondContact O-N 3.13Å; R73-R77 VanDerWaalsContact O-CB 3.31Å; R73-R77 WeakPolarHBondContact O-CB 3.42Å; R73-R77 VanDerWaalsContact O-CD 3.31Å; R73-R77 WeakPolarHBondContact O-CD 3.23Å; R73-R77 WeakPolarHBondContact O-CG 3.27Å; R73-R77 PolarHBondContact O-N 3.03Å
74	K	80.6	Confident	77.4	Confident	107 Å²	107	66 Å²	66	47%	0.465	29%	0.286	S	S	.	.	H	α-helix	trans	-77.8	-35.3	174.4	-74	161.7	-163.5	142.3	0	112.2	D70 Q71 L72 R78	D70-K74 WeakPolarHBondContact O-CD 3.41Å; D70-K74 VanDerWaalsContact O-CE 3.25Å; D70-K74 WeakPolarHBondContact O-CE 3.4Å; D70-K74 WeakPolarHBondContact O-CG 3.02Å; D70-K74 PolarHBondContact O-N 2.81Å; D70-K74 PolarHBondContact O-NZ 2.94Å; D70-K74 WeakPolarHBondContact OD2-CE 3.37Å; D70-K74 IonicContact OD2-NZ 2.79Å; D70-K74 PolarHBondContact OD2-NZ 3.44Å; Q71-K74 WeakPolarHBondContact O-CA 3.29Å; Q71-K74 WeakPolarHBondContact O-CB 3.47Å; Q71-K74 PolarHBondContact O-N 2.92Å; L72-K74 PolarHBondContact O-N 2.84Å; K74-R78 WeakPolarHBondContact O-CG 3.08Å; K74-R78 PolarHBondContact O-N 2.92Å
75	Q	82	Confident	76.5	Confident	65 Å²	65	70.5 Å²	70.5	30%	0.304	30%	0.303	S	S	.	.	H	α-helix	trans	-69.6	-51.2	177.3	-71.2	166.3	-64.2	0	0	111.5	L36 Q71 L72 R77 R78 M79	L36-Q75 HydrophobicContact CD1-CB 3.93Å; L36-Q75 HydrophobicContact CD2-CB 3.75Å; Q71-Q75 PolarHBondContact O-N 3.38Å; Q71-Q75 PolarHBondContact O-OE1 2.7Å; L72-Q75 PolarHBondContact O-N 2.92Å; Q75-R77 VanDerWaalsContact C-N 3.32Å; Q75-R77 PolarHBondContact O-N 3.48Å; Q75-R78 WeakPolarHBondContact O-CA 3.31Å; Q75-R78 WeakPolarHBondContact O-CB 3.37Å; Q75-R78 PolarHBondContact O-N 2.97Å; Q75-M79 PolarHBondContact O-N 3.35Å
76	L	81.1	Confident	75.7	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-57.9	-42.1	175	-66.6	171.8	0	0	0	111.8	V32 L36 V57 M61 L68 L72 R78 M79 L80	V32-L76 HydrophobicContact CG1-CD1 3.81Å; V32-L76 HydrophobicContact CG1-CD2 4.06Å; V32-L76 HydrophobicContact CG1-CG 4.09Å; V32-L76 HydrophobicContact CG2-CD1 4.45Å; L36-L76 HydrophobicContact CD2-CD2 3.69Å; L36-L76 HydrophobicContact CD2-CG 4.11Å; L36-L76 HydrophobicContact CG-CD2 4.22Å; V57-L76 HydrophobicContact CG1-CB 4.44Å; V57-L76 HydrophobicContact CG1-CD2 4.01Å; V57-L76 HydrophobicContact CG2-CD2 4.49Å; M61-L76 HydrophobicContact CG-CB 3.79Å; M61-L76 HydrophobicContact CG-CD1 3.91Å; M61-L76 HydrophobicContact CG-CG 4.44Å; M61-L76 HydrophobicContact SD-CB 3.81Å; L68-L76 HydrophobicContact CD1-CD1 4.01Å; L68-L76 HydrophobicContact CD2-CD1 3.87Å; L72-L76 PolarHBondContact O-N 3.35Å; L76-R78 VanDerWaalsContact C-N 3.27Å; L76-R78 PolarHBondContact O-N 3.16Å; L76-M79 HydrophobicContact CD2-CE 4.05Å; L76-M79 PolarHBondContact O-N 2.67Å; L76-L80 VanDerWaalsContact O-CB 3.29Å; L76-L80 WeakPolarHBondContact O-CB 3.43Å; L76-L80 PolarHBondContact O-N 2.97Å
77	R	77.5	Confident	74.7	Confident	74 Å²	74	62.2 Å²	62.2	28%	0.279	27%	0.269	S	S	.	.	H	α-helix	trans	-62.1	-27.3	173.3	-79.3	175.5	174.3	158.9	-3.6	114.5	M61 R73 Q75 R81 I176 Y177	M61-R77 HydrophobicContact CE-CG 3.6Å; M61-R77 HydrophobicContact SD-CG 4.24Å; R73-R77 VanDerWaalsContact O-CB 3.31Å; R73-R77 WeakPolarHBondContact O-CB 3.42Å; R73-R77 VanDerWaalsContact O-CD 3.31Å; R73-R77 WeakPolarHBondContact O-CD 3.23Å; R73-R77 WeakPolarHBondContact O-CG 3.27Å; R73-R77 PolarHBondContact O-N 3.03Å; Q75-R77 VanDerWaalsContact C-N 3.32Å; Q75-R77 PolarHBondContact O-N 3.48Å; R77-R81 WeakPolarHBondContact O-CD 3.48Å; R77-R81 VanDerWaalsContact O-CG 3.23Å; R77-R81 WeakPolarHBondContact O-CG 3.39Å; R77-I176 PolarHBondContact NH2-O 3.39Å; R77-Y177 HydrophobicContact CB-CE1 4.04Å; R77-Y177 HydrophobicContact CG-CD1 4.14Å; R77-Y177 HydrophobicContact CG-CE1 3.81Å
78	R	76.9	Confident	73.4	Confident	189 Å²	189	57.8 Å²	57.8	71%	0.713	25%	0.251	S	S	*	.	H	α-helix	trans	-77.5	-45.7	172.7	-74.7	171.2	176	-176.8	-1.5	110.1	K74 Q75 L76 R81 Y82	K74-R78 WeakPolarHBondContact O-CG 3.08Å; K74-R78 PolarHBondContact O-N 2.92Å; Q75-R78 WeakPolarHBondContact O-CA 3.31Å; Q75-R78 WeakPolarHBondContact O-CB 3.37Å; Q75-R78 PolarHBondContact O-N 2.97Å; L76-R78 VanDerWaalsContact C-N 3.27Å; L76-R78 PolarHBondContact O-N 3.16Å; R78-R81 PolarHBondContact O-N 3.11Å; R78-Y82 PolarHBondContact O-N 3.36Å
79	M	80.3	Confident	71.7	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-61.7	-46.8	-178.8	-154.5	159.5	84.8	0	0	111.9	L35 L36 K39 I42 V57 Q75 L76 R81 Y82 L83	L35-M79 HydrophobicContact CB-CE 3.99Å; L35-M79 WeakPolarHBondContact O-CE 3.48Å; L35-M79 VanDerWaalsContact O-SD 3.39Å; L36-M79 HydrophobicContact CD2-CE 3.97Å; L36-M79 HydrophobicContact CD2-SD 3.76Å; K39-M79 HydrophobicContact CB-SD 3.77Å; K39-M79 HydrophobicContact CG-CG 4.33Å; K39-M79 HydrophobicContact CG-SD 4.1Å; I42-M79 HydrophobicContact CD1-CG 3.27Å; I42-M79 HydrophobicContact CD1-SD 3.97Å; V57-M79 HydrophobicContact CB-CE 4.49Å; V57-M79 HydrophobicContact CG1-CE 4.38Å; V57-M79 HydrophobicContact CG2-CE 3.27Å; Q75-M79 PolarHBondContact O-N 3.35Å; L76-M79 HydrophobicContact CD2-CE 4.05Å; L76-M79 PolarHBondContact O-N 2.67Å; M79-R81 VanDerWaalsContact C-N 3.34Å; M79-R81 PolarHBondContact O-N 3.34Å; M79-Y82 WeakPolarHBondContact O-CA 3.35Å; M79-Y82 WeakPolarHBondContact O-CB 3.37Å; M79-Y82 PolarHBondContact O-N 2.59Å; M79-L83 WeakPolarHBondContact O-CG 3.48Å; M79-L83 PolarHBondContact O-N 2.7Å
80	L	76.5	Confident	70	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-68.2	-30.9	178.3	-163.6	56.4	0	0	0	112.7	F54 V57 M61 L76 L83 C84 L173	F54-L80 HydrophobicContact CD2-CD1 3.36Å; F54-L80 HydrophobicContact CD2-CG 4.47Å; F54-L80 HydrophobicContact CE2-CD1 3.61Å; F54-L80 HydrophobicContact CE2-CG 4.35Å; F54-L80 HydrophobicContact CG-CD1 4.05Å; F54-L80 HydrophobicContact CZ-CD1 4.48Å; V57-L80 HydrophobicContact CB-CD1 4.27Å; V57-L80 HydrophobicContact CG1-CB 3.88Å; V57-L80 HydrophobicContact CG1-CD1 3.93Å; V57-L80 HydrophobicContact CG1-CD2 4.24Å; V57-L80 HydrophobicContact CG1-CG 4.25Å; M61-L80 HydrophobicContact SD-CD2 3.98Å; L76-L80 VanDerWaalsContact O-CB 3.29Å; L76-L80 WeakPolarHBondContact O-CB 3.43Å; L76-L80 PolarHBondContact O-N 2.97Å; L80-L83 HydrophobicContact CD1-CD1 4.41Å; L80-C84 WeakPolarHBondContact O-CB 3.37Å; L80-C84 PolarHBondContact O-N 2.81Å; L80-C84 PolarHBondContact O-SG 2.91Å; L80-L173 HydrophobicContact CD2-CD1 4.27Å; L80-L173 HydrophobicContact CD2-CD2 3.33Å; L80-L173 HydrophobicContact CD2-CG 4.34Å; L80-L173 HydrophobicContact CG-CD2 4.29Å
81	R	71.7	Confident	68.3	Low	130 Å²	130	61 Å²	61	49%	0.491	28%	0.275	S	S	.	.	H	α-helix	trans	-70	-32.3	168.8	-78	177.5	-177.4	-170.6	0.8	113.1	R77 R78 M79 Y85 Y177	R77-R81 WeakPolarHBondContact O-CD 3.48Å; R77-R81 VanDerWaalsContact O-CG 3.23Å; R77-R81 WeakPolarHBondContact O-CG 3.39Å; R78-R81 PolarHBondContact O-N 3.11Å; M79-R81 VanDerWaalsContact C-N 3.34Å; M79-R81 PolarHBondContact O-N 3.34Å; R81-Y85 WeakPolarHBondContact O-CB 3.35Å; R81-Y85 PolarHBondContact O-N 3.13Å; R81-Y85 VanDerWaalsContact O-N 3.12Å; R81-Y177 HydrophobicContact CG-CE1 4.24Å
82	Y	71.6	Confident	66.1	Low	89 Å²	89	59.5 Å²	59.5	35%	0.349	28%	0.278	S	S	.	.	H	α-helix	trans	-73.2	-42.6	177.1	-173.4	-125.9	0	0	0	110.6	I42 R78 M79 Y85 L86	I42-Y82 HydrophobicContact CB-CD1 4.38Å; I42-Y82 HydrophobicContact CB-CE1 4.3Å; R78-Y82 PolarHBondContact O-N 3.36Å; M79-Y82 WeakPolarHBondContact O-CA 3.35Å; M79-Y82 WeakPolarHBondContact O-CB 3.37Å; M79-Y82 PolarHBondContact O-N 2.59Å; Y82-Y85 HydrophobicContact CD2-CD1 4.48Å; Y82-Y85 CarbonylContact O-C 3.42Å; Y82-Y85 WeakPolarHBondContact O-CA 3.45Å; Y82-Y85 WeakPolarHBondContact O-CB 3.41Å; Y82-Y85 PolarHBondContact O-N 3.01Å; Y82-L86 HydrophobicContact CD1-CD1 4.01Å; Y82-L86 HydrophobicContact CD2-CG 4.49Å; Y82-L86 HydrophobicContact CE1-CD1 3.76Å; Y82-L86 HydrophobicContact CE1-CG 4.35Å; Y82-L86 HydrophobicContact CE2-CD2 4.17Å; Y82-L86 HydrophobicContact CE2-CG 4.24Å; Y82-L86 WeakPolarHBondContact O-CG 3.37Å; Y82-L86 PolarHBondContact O-N 3.25Å
83	L	69	Low	64.1	Low	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-55.9	-50	168.2	-74.5	158.3	0	0	0	111.7	I42 Q50 L53 F54 V57 M79 L80 Y85 L86 T87	I42-L83 HydrophobicContact CD1-CD1 4.29Å; I42-L83 HydrophobicContact CD1-CD2 4.45Å; I42-L83 HydrophobicContact CD1-CG 4.19Å; I42-L83 HydrophobicContact CG2-CD2 3.38Å; I42-L83 HydrophobicContact CG2-CG 3.99Å; Q50-L83 HydrophobicContact CB-CD2 4.12Å; Q50-L83 WeakPolarHBondContact O-CD2 3.31Å; L53-L83 HydrophobicContact CB-CD2 4.49Å; L53-L83 HydrophobicContact CD2-CD1 4.32Å; L53-L83 HydrophobicContact CD2-CD2 4.36Å; L53-L83 HydrophobicContact CG-CD1 4.1Å; F54-L83 HydrophobicContact CB-CB 4.5Å; F54-L83 HydrophobicContact CB-CD1 4.49Å; F54-L83 HydrophobicContact CD2-CB 4.33Å; V57-L83 HydrophobicContact CG2-CD1 4.42Å; M79-L83 WeakPolarHBondContact O-CG 3.48Å; M79-L83 PolarHBondContact O-N 2.7Å; L80-L83 HydrophobicContact CD1-CD1 4.41Å; L83-Y85 PolarHBondContact O-N 3.02Å; L83-Y85 VanDerWaalsContact O-N 3.11Å; L83-L86 PolarHBondContact O-N 2.99Å; L83-T87 WeakPolarHBondContact O-CB 3.23Å; L83-T87 WeakPolarHBondContact O-CG2 3.31Å; L83-T87 PolarHBondContact O-N 2.85Å; L83-T87 PolarHBondContact O-OG1 3.39Å
84	C	63.6	Low	62.1	Low	6 Å²	6	62 Å²	62	4%	0.041	31%	0.31	C	S	.	.	H	α-helix	trans	-60.1	-18.6	172.7	-71.9	0	0	0	0	114.9	L80 T87 N88 F98	L80-C84 WeakPolarHBondContact O-CB 3.37Å; L80-C84 PolarHBondContact O-N 2.81Å; L80-C84 PolarHBondContact O-SG 2.91Å; C84-T87 WeakPolarHBondContact CA-OG1 3.36Å; C84-N88 WeakPolarHBondContact O-CB 3.22Å; C84-N88 PolarHBondContact O-ND2 3.35Å; C84-F98 HydrophobicContact CB-CD2 4.36Å; C84-F98 HydrophobicContact CB-CE2 3.69Å; C84-F98 HydrophobicContact CB-CZ 4.28Å
85	Y	64.5	Low	60.3	Low	143 Å²	143	63.9 Å²	63.9	56%	0.561	32%	0.318	S	S	*	.	H	α-helix	trans	-92.2	-43.7	179.6	173.3	-85.9	0	0	0	111.4	R81 Y82 L83 T87 N88	R81-Y85 WeakPolarHBondContact O-CB 3.35Å; R81-Y85 PolarHBondContact O-N 3.13Å; R81-Y85 VanDerWaalsContact O-N 3.12Å; Y82-Y85 HydrophobicContact CD2-CD1 4.48Å; Y82-Y85 CarbonylContact O-C 3.42Å; Y82-Y85 WeakPolarHBondContact O-CA 3.45Å; Y82-Y85 WeakPolarHBondContact O-CB 3.41Å; Y82-Y85 PolarHBondContact O-N 3.01Å; L83-Y85 PolarHBondContact O-N 3.02Å; L83-Y85 VanDerWaalsContact O-N 3.11Å; Y85-T87 VanDerWaalsContact C-N 3.29Å; Y85-T87 PolarHBondContact O-N 3.41Å; Y85-N88 CarbonylContact O-C 3.39Å; Y85-N88 PolarHBondContact O-N 2.92Å; Y85-N88 VanDerWaalsContact O-N 3.13Å; Y85-N88 VanDerWaalsContact O-O 3.13Å
86	L	59.1	Low	58.4	Low	56 Å²	56	63.3 Å²	63.3	29%	0.293	32%	0.322	S	S	.	.	H	α-helix	trans	-59.7	-43.1	173	-66.5	170.8	0	0	0	110.5	I42 Q50 Y82 L83 N88	I42-L86 HydrophobicContact CB-CD1 4.34Å; I42-L86 HydrophobicContact CG2-CD1 3.6Å; Q50-L86 VanDerWaalsContact OE1-CB 3.26Å; Y82-L86 HydrophobicContact CD1-CD1 4.01Å; Y82-L86 HydrophobicContact CD2-CG 4.49Å; Y82-L86 HydrophobicContact CE1-CD1 3.76Å; Y82-L86 HydrophobicContact CE1-CG 4.35Å; Y82-L86 HydrophobicContact CE2-CD2 4.17Å; Y82-L86 HydrophobicContact CE2-CG 4.24Å; Y82-L86 WeakPolarHBondContact O-CG 3.37Å; Y82-L86 PolarHBondContact O-N 3.25Å; L83-L86 PolarHBondContact O-N 2.99Å; L86-N88 VanDerWaalsContact C-N 3.25Å; L86-N88 PolarHBondContact O-N 3.22Å
87	T	54.5	Low	56.6	Low	18 Å²	18	64.9 Å²	64.9	11%	0.11	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	4.1	176.3	55.9	0	0	0	0	114.8	L51 L83 C84 Y85 L163	L51-T87 HydrophobicContact CD2-CG2 4.43Å; L83-T87 WeakPolarHBondContact O-CB 3.23Å; L83-T87 WeakPolarHBondContact O-CG2 3.31Å; L83-T87 PolarHBondContact O-N 2.85Å; L83-T87 PolarHBondContact O-OG1 3.39Å; C84-T87 WeakPolarHBondContact CA-OG1 3.36Å; Y85-T87 VanDerWaalsContact C-N 3.29Å; Y85-T87 PolarHBondContact O-N 3.41Å; T87-L163 HydrophobicContact CG2-CD2 4.46Å; T87-L163 VanDerWaalsContact OG1-CD2 3.3Å; T87-L163 WeakPolarHBondContact OG1-CD2 3.34Å
88	N	53	Low	54.8	Low	23 Å²	23	65.3 Å²	65.3	12%	0.123	34%	0.335	C	S	.	.			trans	-141.8	110.2	176.8	-76.8	-87.1	0	0	0	114.6	C84 Y85 L86 L163	C84-N88 WeakPolarHBondContact O-CB 3.22Å; C84-N88 PolarHBondContact O-ND2 3.35Å; Y85-N88 CarbonylContact O-C 3.39Å; Y85-N88 PolarHBondContact O-N 2.92Å; Y85-N88 VanDerWaalsContact O-N 3.13Å; Y85-N88 VanDerWaalsContact O-O 3.13Å; L86-N88 VanDerWaalsContact C-N 3.25Å; L86-N88 PolarHBondContact O-N 3.22Å; N88-L163 VanDerWaalsContact ND2-CD2 3.33Å; N88-L163 WeakPolarHBondContact ND2-CD2 3.23Å
89	G	43.3	Very low	52.9	Low	59 Å²	59	59.4 Å²	59.4	61%	0.608	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-57.1	165.8	150.9	0	0	0	0	0	112.7
90	K	45.6	Very low	50.7	Low	107 Å²	107	64.2 Å²	64.2	47%	0.465	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-54.6	155.8	-176.2	-65.7	168.4	174.6	179.6	0	112.8	G94	K90-G94 WeakPolarHBondContact CD-O 3.45Å
91	T	41.8	Very low	48.6	Very low	12 Å²	12	76.4 Å²	76.4	7%	0.074	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-60	161.1	163.4	62.5	0	0	0	0	110.4	S93 G94 K95 V97	T91-S93 PolarHBondContact O-N 3.25Å; T91-S93 PolarHBondContact OG1-OG 2.95Å; T91-G94 PolarHBondContact O-N 3.27Å; T91-K95 WeakPolarHBondContact CG2-O 3.43Å; T91-K95 PolarHBondContact N-O 3.48Å; T91-K95 VanDerWaalsContact N-O 3.16Å; T91-K95 PolarHBondContact OG1-N 2.84Å; T91-K95 PolarHBondContact OG1-O 3.46Å; T91-V97 HydrophobicContact CG2-CG2 3.69Å
92	P	33.4	Very low	46.7	Very low	111 Å²	111	76 Å²	76	72%	0.721	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-20.5	176.9	-22	35.3	0	0	0	113	G94	P92-G94 PolarHBondContact O-N 2.96Å
93	S	40.6	Very low	45	Very low	74 Å²	74	77.4 Å²	77.4	52%	0.517	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	9.7	173.4	74.9	0	0	0	0	114.7	T91 K95	T91-S93 PolarHBondContact O-N 3.25Å; T91-S93 PolarHBondContact OG1-OG 2.95Å; S93-K95 PolarHBondContact O-N 2.87Å; S93-K95 WeakPolarHBondContact OG-CD 3.46Å; S93-K95 WeakPolarHBondContact OG-CG 3.48Å
94	G	38.2	Very low	43.2	Very low	38 Å²	38	82.4 Å²	82.4	39%	0.392	48%	0.476	S	S	.	.	S	Bend	trans	70.7	-11.5	-175.2	0	0	0	0	0	115.2	K90 T91 P92	K90-G94 WeakPolarHBondContact CD-O 3.45Å; T91-G94 PolarHBondContact O-N 3.27Å; P92-G94 PolarHBondContact O-N 2.96Å
95	K	43	Very low	41.9	Very low	147 Å²	147	93.8 Å²	93.8	64%	0.639	52%	0.518	S	S	*	.			trans	-72.3	137.5	-177	-63.9	170.2	-168.4	168	0	111	T91 S93	T91-K95 WeakPolarHBondContact CG2-O 3.43Å; T91-K95 PolarHBondContact N-O 3.48Å; T91-K95 VanDerWaalsContact N-O 3.16Å; T91-K95 PolarHBondContact OG1-N 2.84Å; T91-K95 PolarHBondContact OG1-O 3.46Å; S93-K95 PolarHBondContact O-N 2.87Å; S93-K95 WeakPolarHBondContact OG-CD 3.46Å; S93-K95 WeakPolarHBondContact OG-CG 3.48Å
96	S	41.6	Very low	40.6	Very low	53 Å²	53	98.5 Å²	98.5	37%	0.371	54%	0.535	S	S	.	.			trans	-66.8	129.9	167	173.6	0	0	0	0	110	F98 A99	S96-F98 PolarHBondContact O-N 2.8Å; S96-F98 PolarHBondContact OG-N 3.06Å; S96-A99 PolarHBondContact O-N 2.95Å; S96-A99 PolarHBondContact OG-N 3Å
97	V	43.5	Very low	39.6	Very low	33 Å²	33	106.6 Å²	106.6	20%	0.2	57%	0.568	C	S	.	*	T	Hydrogen-bonded Turn	trans	-56.1	-32.5	174.9	177.9	0	0	0	0	111.6	T91 I159	T91-V97 HydrophobicContact CG2-CG2 3.69Å; V97-I159 HydrophobicContact CG1-CD1 3.32Å; V97-I159 HydrophobicContact CG1-CG1 3.68Å
98	F	39.9	Very low	38.9	Very low	82 Å²	82	108.8 Å²	108.8	36%	0.36	59%	0.594	S	S	.	*	T	Hydrogen-bonded Turn	trans	-116.4	46	177.7	-63.2	-78.7	0	0	0	111.8	C84 S96 I159	C84-F98 HydrophobicContact CB-CD2 4.36Å; C84-F98 HydrophobicContact CB-CE2 3.69Å; C84-F98 HydrophobicContact CB-CZ 4.28Å; S96-F98 PolarHBondContact O-N 2.8Å; S96-F98 PolarHBondContact OG-N 3.06Å; F98-I159 HydrophobicContact CZ-CD1 4.45Å
99	A	35.2	Very low	38.2	Very low	66 Å²	66	117.5 Å²	117.5	55%	0.545	63%	0.631	S	S	.	*			trans	-49.6	127.4	174.8	0	0	0	0	0	111.9	S96 R101	S96-A99 PolarHBondContact O-N 2.95Å; S96-A99 PolarHBondContact OG-N 3Å; A99-R101 PolarHBondContact O-N 3.01Å
100	P	34.5	Very low	38.1	Very low	101 Å²	101	127 Å²	127	66%	0.656	65%	0.648	S	S	*	*			trans	-56.8	136.2	176	-27	35.6	0	0	0	111.9	N102	P100-N102 PolarHBondContact O-N 2.77Å
101	R	32.7	Very low	37.8	Very low	256 Å²	256	127 Å²	127	97%	0.966	66%	0.662	S	S	*	*			trans	-77.4	57.6	-174.3	-162.7	-177.1	-172.9	175.2	4.6	112.3	A99	A99-R101 PolarHBondContact O-N 3.01Å
102	N	32.5	Very low	37.9	Very low	121 Å²	121	135.9 Å²	135.9	65%	0.647	70%	0.699	S	S	*	*			trans	-86	159.4	-169.3	-74.1	-5.5	0	0	0	113.7	P100 A104	P100-N102 PolarHBondContact O-N 2.77Å; N102-A104 VanDerWaalsContact C-N 3.28Å; N102-A104 PolarHBondContact O-N 2.83Å
103	S	35.1	Very low	38.4	Very low	119 Å²	119	140 Å²	140	83%	0.832	71%	0.706	S	S	*	*	S	Bend	trans	56.1	-22.1	165.4	74.7	0	0	0	0	121.5	R105	S103-R105 PolarHBondContact O-N 3.3Å
104	A	32.3	Very low	38.3	Very low	106 Å²	106	148.8 Å²	148.8	88%	0.876	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	10.8	-173.5	0	0	0	0	0	116.9	N102	N102-A104 VanDerWaalsContact C-N 3.28Å; N102-A104 PolarHBondContact O-N 2.83Å
105	R	35.9	Very low	38.3	Very low	244 Å²	244	151 Å²	151	92%	0.921	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.7	35.7	-175.5	-147	179.6	-171.7	-167.8	1.9	115.3	S103	S103-R105 PolarHBondContact O-N 3.3Å
106	R	36.8	Very low	38.1	Very low	242 Å²	242	148.2 Å²	148.2	91%	0.913	76%	0.755	S	S	*	*			trans	-124.5	20.2	169.9	-91.4	-167.8	176.8	-175.5	1.2	117	G108	R106-G108 PolarHBondContact O-N 2.89Å
107	K	38.1	Very low	38.1	Very low	227 Å²	227	155.1 Å²	155.1	99%	0.987	78%	0.778	S	S	*	*			trans	-76.9	71	159.5	-79.2	-171.5	173.7	178.7	0	110.8
108	G	39.2	Very low	38	Very low	64 Å²	64	160.2 Å²	160.2	66%	0.66	81%	0.81	S	S	*	*			trans	-122.5	86	-172.3	0	0	0	0	0	114.4	R106	R106-G108 PolarHBondContact O-N 2.89Å
109	K	39.6	Very low	38.1	Very low	205 Å²	205	164.5 Å²	164.5	89%	0.891	84%	0.836	S	S	*	*			trans	12.9	100.5	163.6	-61.8	-179.8	-179.9	179.2	0	118
110	R	40.7	Very low	38.2	Very low	258 Å²	258	165 Å²	165	97%	0.974	85%	0.847	S	S	*	*			trans	-131.4	87.8	149.6	-92	-166.6	168.2	-168.4	-2.6	111.2
111	S	40	Very low	38.5	Very low	108 Å²	108	169.9 Å²	169.9	76%	0.755	86%	0.858	S	S	*	*			trans	-105	104.9	178.7	53.4	0	0	0	0	111.8
112	K	42.9	Very low	38.8	Very low	199 Å²	199	169.2 Å²	169.2	87%	0.865	86%	0.856	S	S	*	*			trans	-164.6	111.1	158.1	-106.2	163.3	-176.5	178.6	0	107
113	K	43.3	Very low	39	Very low	197 Å²	197	168.6 Å²	168.6	86%	0.857	86%	0.861	S	S	*	*				95.4	85.1	70.3	-174.6	-169.5	178.3	-178.8	0	111.4
114	R	40.2	Very low	39.1	Very low	259 Å²	259	170.6 Å²	170.6	98%	0.977	86%	0.862	S	S	*	*			trans	-158.6	150.7	148.1	-103	174.3	-173	-154.6	-0.2	107.4
115	G	36.8	Very low	39.4	Very low	83 Å²	83	171 Å²	171	86%	0.856	86%	0.858	S	S	*	*			trans	-177.5	151.2	-179.7	0	0	0	0	0	114.6
116	A	39.5	Very low	39.5	Very low	90 Å²	90	168.2 Å²	168.2	74%	0.744	85%	0.853	S	S	*	*			trans	-145.5	131.3	165.4	0	0	0	0	0	104.6
117	K	41.6	Very low	39.6	Very low	198 Å²	198	162.5 Å²	162.5	86%	0.861	84%	0.844	S	S	*	*				47.2	117.3	85.5	-61.5	-174.5	178.7	-176.4	0	110.6
118	T	41.7	Very low	39.5	Very low	140 Å²	140	155.9 Å²	155.9	86%	0.859	83%	0.826	S	S	*	*				-132.5	-170.2	54.1	45.2	0	0	0	0	115.2
119	N	41.1	Very low	39.5	Very low	171 Å²	171	160.2 Å²	160.2	91%	0.914	83%	0.83	S	S	*	*			trans	-112.5	153.9	-168.8	-61.4	-53	0	0	0	113.5
120	G	38	Very low	39.4	Very low	76 Å²	76	159.8 Å²	159.8	78%	0.784	83%	0.831	S	S	*	*			trans	-152.2	146	159.1	0	0	0	0	0	110
121	K	40.7	Very low	39.2	Very low	204 Å²	204	150.8 Å²	150.8	89%	0.887	82%	0.819	S	S	*	*			trans	-153.3	160.1	-170.7	-109.2	-170.5	179.2	-175.6	0	112.8
122	R	38.5	Very low	39	Very low	242 Å²	242	154.8 Å²	154.8	91%	0.913	83%	0.825	S	S	*	*			trans	75.6	150.8	175.7	-67.2	177.5	164.6	161.7	-7.1	114.7
123	S	37.2	Very low	38.8	Very low	109 Å²	109	151.6 Å²	151.6	76%	0.762	82%	0.818	S	S	*	*			cis	-174.4	172.4	-16.9	45.5	0	0	0	0	110.1
124	L	38	Very low	38.6	Very low	160 Å²	160	148 Å²	148	84%	0.838	81%	0.813	S	S	*	*			cis	167	100.8	-37.8	-148.9	-179.9	0	0	0	107.7
125	S	38.1	Very low	38.4	Very low	114 Å²	114	143 Å²	143	80%	0.797	81%	0.805	S	S	*	*			trans	174.2	137.6	175.2	47.7	0	0	0	0	111
126	K	37.7	Very low	38.6	Very low	187 Å²	187	145.3 Å²	145.3	81%	0.813	80%	0.802	S	S	*	*			cis	90.7	99.7	-6.8	-161.7	-111	167.3	-177.1	0	121.3
127	V	37.9	Very low	38.5	Very low	121 Å²	121	149.3 Å²	149.3	73%	0.733	81%	0.806	S	S	*	*			trans	-174.8	118.3	151.8	142.1	0	0	0	0	107
128	S	36.8	Very low	38.2	Very low	88 Å²	88	146.8 Å²	146.8	62%	0.615	80%	0.801	S	S	*	*				72	155.7	104.4	-41.4	0	0	0	0	115.8
129	E	39	Very low	38	Very low	156 Å²	156	145.9 Å²	145.9	73%	0.729	80%	0.796	S	S	*	*			cis	-144.9	150.2	11	-118.3	119.9	-121	0	0	109.5
130	E	36.9	Very low	37.4	Very low	195 Å²	195	145.7 Å²	145.7	91%	0.911	79%	0.789	S	S	*	*				54.2	138.6	106.8	-57.6	-169.9	171.2	0	0	117.8
131	G	36.5	Very low	37.2	Very low	70 Å²	70	147.8 Å²	147.8	72%	0.722	79%	0.789	S	S	*	*			cis	180	-163	1.2	0	0	0	0	0	113
132	Q	37.6	Very low	36.8	Very low	191 Å²	191	141.6 Å²	141.6	89%	0.893	78%	0.776	S	S	*	*			trans	71.1	149.4	172.7	-66.9	-176.6	-25.4	0	0	119.4
133	D	37.2	Very low	36.4	Very low	133 Å²	133	136.3 Å²	136.3	71%	0.711	77%	0.766	S	S	*	*			cis	-167	179.9	-35.2	-134.1	-48.6	0	0	0	112.6
134	T	40	Very low	36.2	Very low	122 Å²	122	137.6 Å²	137.6	75%	0.748	76%	0.764	S	S	*	*			trans	84.3	92.2	164.8	65.1	0	0	0	0	122.3
135	N	36.2	Very low	35.7	Very low	152 Å²	152	137.2 Å²	137.2	81%	0.813	76%	0.763	S	S	*	*				28.4	136	128.7	-56.6	-20.1	0	0	0	123.3
136	V	39.6	Very low	35.5	Very low	132 Å²	132	137.6 Å²	137.6	80%	0.8	76%	0.756	S	S	*	*				-168.1	141.6	105.2	147.9	0	0	0	0	111
137	E	37.6	Very low	35.2	Very low	174 Å²	174	132.9 Å²	132.9	81%	0.813	75%	0.752	S	S	*	*			trans	1.2	146	156.6	-70.5	168.5	-176.7	0	0	121
138	D	36.6	Very low	35.1	Very low	145 Å²	145	135.2 Å²	135.2	78%	0.775	76%	0.76	S	S	*	*			cis	-164.7	177.2	-3.6	-156.1	-4.3	0	0	0	112.6
139	V	37.5	Very low	35.3	Very low	121 Å²	121	137 Å²	137	73%	0.733	76%	0.759	S	S	*	*			trans	63.7	104.5	165.2	-170.8	0	0	0	0	118.3
140	Q	28.7	Very low	35.3	Very low	168 Å²	168	135 Å²	135	79%	0.785	75%	0.754	S	S	*	*			trans	-95.7	158.7	157.9	-133.5	-172.8	62.7	0	0	110.3
141	P	33.7	Very low	35.2	Very low	120 Å²	120	128.1 Å²	128.1	78%	0.779	73%	0.734	S	S	*	*				-146.5	132	93.1	35.7	-18.7	0	0	0	116.6
142	A	30.6	Very low	35.6	Very low	74 Å²	74	127 Å²	127	61%	0.612	72%	0.722	S	S	*	*			trans	19.1	136.5	139.9	0	0	0	0	0	122.7
143	N	31.4	Very low	35.5	Very low	130 Å²	130	123 Å²	123	70%	0.695	70%	0.702	S	S	*	*			trans	81	99.1	135.5	-153.8	19.8	0	0	0	119.5
144	N	31.5	Very low	36	Very low	136 Å²	136	121.9 Å²	121.9	73%	0.727	70%	0.696	S	S	*	*				179.4	148.3	103.4	-97	-71.4	0	0	0	113.7	N146	N144-N146 PolarHBondContact O-N 3.45Å
145	N	28.6	Very low	36.7	Very low	153 Å²	153	118.9 Å²	118.9	82%	0.818	68%	0.676	S	S	*	*			trans	-72.9	107.9	176.5	-65.2	-55.5	0	0	0	112.1
146	N	32.9	Very low	37.3	Very low	121 Å²	121	113.4 Å²	113.4	65%	0.647	65%	0.647	S	S	*	*			trans	-161.8	16.9	170.4	-107.1	-43	0	0	0	117	N144 D148	N144-N146 PolarHBondContact O-N 3.45Å; N146-D148 PolarHBondContact O-N 3.06Å
147	A	31.4	Very low	37.8	Very low	88 Å²	88	109.3 Å²	109.3	73%	0.727	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-61.8	-31.9	-168.6	0	0	0	0	0	115.8	Q149 N150	A147-Q149 PolarHBondContact O-N 3.46Å; A147-N150 PolarHBondContact O-N 3.11Å
148	D	36.2	Very low	38.5	Very low	171 Å²	171	103.9 Å²	103.9	91%	0.914	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-66.8	-4.6	-172	-82.4	-35.7	0	0	0	116	N146	N146-D148 PolarHBondContact O-N 3.06Å
149	Q	40.7	Very low	39.1	Very low	125 Å²	125	97.6 Å²	97.6	58%	0.584	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-94.8	-7.5	-177.8	-62.7	-159.6	41.1	0	0	115.4	A147	A147-Q149 PolarHBondContact O-N 3.46Å
150	N	39	Very low	39.6	Very low	115 Å²	115	92.1 Å²	92.1	62%	0.615	53%	0.528	S	S	*	.	S	Bend	trans	-88.8	-15.7	-176.4	-76.3	-8.8	0	0	0	114.6	A147 G152 F153	A147-N150 PolarHBondContact O-N 3.11Å; N150-G152 PolarHBondContact O-N 2.96Å; N150-F153 PolarHBondContact O-N 2.82Å
151	G	36	Very low	40.8	Very low	49 Å²	49	90.2 Å²	90.2	51%	0.505	52%	0.517	S	S	.	.	H	α-helix	trans	-59.7	-17	-176.3	0	0	0	0	0	115.8	N155	G151-N155 PolarHBondContact O-OD1 3.26Å
152	G	43.8	Very low	41.4	Very low	46 Å²	46	89.5 Å²	89.5	47%	0.474	50%	0.499	S	S	.	.	H	α-helix	trans	-79.2	-22.1	173.8	0	0	0	0	0	115	N150	N150-G152 PolarHBondContact O-N 2.96Å
153	F	36.3	Very low	42.2	Very low	108 Å²	108	86.4 Å²	86.4	47%	0.474	47%	0.472	S	S	.	.	H	α-helix	trans	-76.9	-51.3	-175.5	-172.4	-93.1	0	0	0	111.3	N150 N155 L156 L157 L188	N150-F153 PolarHBondContact O-N 2.82Å; F153-N155 VanDerWaalsContact C-N 3.35Å; F153-N155 PolarHBondContact O-N 2.81Å; F153-L156 PolarHBondContact O-N 2.84Å; F153-L157 PolarHBondContact O-N 3.11Å; F153-L188 HydrophobicContact CD2-CD2 3.87Å; F153-L188 HydrophobicContact CE2-CD2 3.48Å; F153-L188 VanDerWaalsContact CE2-CD2 3.48Å; F153-L188 HydrophobicContact CE2-CG 4.33Å; F153-L188 HydrophobicContact CZ-CD2 4.12Å
154	N	47.4	Very low	43.3	Very low	109 Å²	109	88.7 Å²	88.7	58%	0.583	48%	0.478	S	S	*	.	H	α-helix	trans	-59.9	-45.9	179.6	-65.3	7.2	0	0	0	110.9	L156 L157 E158	N154-L156 VanDerWaalsContact C-N 3.34Å; N154-L156 PolarHBondContact O-N 3.12Å; N154-L157 PolarHBondContact O-N 2.99Å; N154-E158 WeakPolarHBondContact O-CB 3.28Å; N154-E158 PolarHBondContact O-N 2.76Å
155	N	55.3	Low	44.5	Very low	60 Å²	60	82.8 Å²	82.8	32%	0.321	45%	0.447	S	S	.	.	H	α-helix	trans	-54.3	-45.9	177.3	-73.4	15	0	0	0	112.5	G151 F153 E158 I159	G151-N155 PolarHBondContact O-OD1 3.26Å; F153-N155 VanDerWaalsContact C-N 3.35Å; F153-N155 PolarHBondContact O-N 2.81Å; N155-E158 PolarHBondContact O-N 2.96Å; N155-I159 WeakPolarHBondContact O-CB 3.18Å; N155-I159 VanDerWaalsContact O-CD1 3.28Å; N155-I159 WeakPolarHBondContact O-CD1 3.21Å; N155-I159 WeakPolarHBondContact O-CG1 3.4Å; N155-I159 PolarHBondContact O-N 2.86Å
156	L	48.1	Very low	45.9	Very low	37 Å²	37	79.8 Å²	79.8	19%	0.194	43%	0.431	C	S	.	.	H	α-helix	trans	-69.6	-38.2	-176.8	-75.7	164.5	0	0	0	113.2	F153 N154 I159 A160 I170 L180	F153-L156 PolarHBondContact O-N 2.84Å; N154-L156 VanDerWaalsContact C-N 3.34Å; N154-L156 PolarHBondContact O-N 3.12Å; L156-I159 HydrophobicContact CD2-CD1 4.38Å; L156-A160 PolarHBondContact O-N 2.87Å; L156-A160 VanDerWaalsContact O-N 3.15Å; L156-I170 HydrophobicContact CB-CG2 4.44Å; L156-I170 HydrophobicContact CD2-CG2 3.61Å; L156-L180 HydrophobicContact CD1-CD1 3.55Å
157	L	50.5	Low	47.1	Very low	45 Å²	45	75 Å²	75	24%	0.236	41%	0.406	C	S	.	.	H	α-helix	trans	-72.5	-34	175.5	-168.2	68.1	0	0	0	111.8	F153 N154 A160 K161 V167	F153-L157 PolarHBondContact O-N 3.11Å; N154-L157 PolarHBondContact O-N 2.99Å; L157-A160 PolarHBondContact O-N 3.37Å; L157-K161 WeakPolarHBondContact O-CG 3.43Å; L157-K161 PolarHBondContact O-N 2.98Å; L157-V167 HydrophobicContact CD1-CG2 3.99Å
158	E	52.3	Low	48.4	Very low	61 Å²	61	72.4 Å²	72.4	29%	0.285	39%	0.385	S	S	.	.	H	α-helix	trans	-68.7	-41.2	174.9	-174.5	173.3	-168.2	0	0	111.7	N154 N155 A160 K161 R162	N154-E158 WeakPolarHBondContact O-CB 3.28Å; N154-E158 PolarHBondContact O-N 2.76Å; N155-E158 PolarHBondContact O-N 2.96Å; E158-A160 VanDerWaalsContact C-N 3.35Å; E158-A160 PolarHBondContact O-N 3.4Å; E158-K161 PolarHBondContact O-N 3.28Å; E158-R162 HydrophobicContact CG-CG 4.41Å; E158-R162 WeakPolarHBondContact O-CB 3.44Å; E158-R162 VanDerWaalsContact O-CG 3.23Å; E158-R162 WeakPolarHBondContact O-CG 3.27Å; E158-R162 PolarHBondContact O-N 3.23Å; E158-R162 IonicContact OE1-CZ 2.95Å; E158-R162 VanDerWaalsContact OE1-CZ 3.27Å; E158-R162 IonicContact OE1-NE 3.13Å; E158-R162 PolarHBondContact OE1-NE 2.85Å; E158-R162 VanDerWaalsContact OE1-NE 3.11Å; E158-R162 IonicContact OE1-NH2 2.86Å; E158-R162 PolarHBondContact OE1-NH2 3.18Å
159	I	48.2	Very low	49.7	Very low	12 Å²	12	67.2 Å²	67.2	6%	0.062	35%	0.354	C	S	.	.	H	α-helix	trans	-58.3	-46.7	171.1	-66.5	158.3	0	0	0	110.4	V97 F98 N155 L156 K161 R162 L163 I170	V97-I159 HydrophobicContact CG1-CD1 3.32Å; V97-I159 HydrophobicContact CG1-CG1 3.68Å; F98-I159 HydrophobicContact CZ-CD1 4.45Å; N155-I159 WeakPolarHBondContact O-CB 3.18Å; N155-I159 VanDerWaalsContact O-CD1 3.28Å; N155-I159 WeakPolarHBondContact O-CD1 3.21Å; N155-I159 WeakPolarHBondContact O-CG1 3.4Å; N155-I159 PolarHBondContact O-N 2.86Å; L156-I159 HydrophobicContact CD2-CD1 4.38Å; I159-K161 PolarHBondContact O-N 3.35Å; I159-R162 PolarHBondContact O-N 2.92Å; I159-L163 HydrophobicContact CG2-CD1 3.53Å; I159-L163 HydrophobicContact CG2-CG 4.04Å; I159-L163 WeakPolarHBondContact O-CB 3.46Å; I159-L163 WeakPolarHBondContact O-CG 3.15Å; I159-L163 PolarHBondContact O-N 3.01Å; I159-I170 HydrophobicContact CG2-CD1 3.86Å; I159-I170 HydrophobicContact CG2-CG1 4.43Å
160	A	49.2	Very low	50.4	Low	6 Å²	6	61.8 Å²	61.8	5%	0.05	33%	0.329	C	S	.	.	H	α-helix	trans	-62.1	-44.5	-180	0	0	0	0	0	112.3	L156 L157 E158 R162 H164 V165 V167 I170	L156-A160 PolarHBondContact O-N 2.87Å; L156-A160 VanDerWaalsContact O-N 3.15Å; L157-A160 PolarHBondContact O-N 3.37Å; E158-A160 VanDerWaalsContact C-N 3.35Å; E158-A160 PolarHBondContact O-N 3.4Å; A160-R162 VanDerWaalsContact C-N 3.35Å; A160-R162 PolarHBondContact O-N 3.29Å; A160-H164 PolarHBondContact O-N 3.42Å; A160-V165 PolarHBondContact O-N 2.9Å; A160-V167 HydrophobicContact CB-CB 4.47Å; A160-V167 HydrophobicContact CB-CG2 3.73Å; A160-I170 HydrophobicContact CB-CD1 3.62Å
161	K	53.4	Low	51.3	Low	129 Å²	129	56.6 Å²	56.6	56%	0.561	30%	0.301	S	S	*	.	H	α-helix	trans	-66	-33	176	-72.8	-176.7	175.6	-167.8	0	113.4	L157 E158 I159	L157-K161 WeakPolarHBondContact O-CG 3.43Å; L157-K161 PolarHBondContact O-N 2.98Å; E158-K161 PolarHBondContact O-N 3.28Å; I159-K161 PolarHBondContact O-N 3.35Å
162	R	46.2	Very low	52.5	Low	104 Å²	104	57.2 Å²	57.2	39%	0.392	29%	0.293	S	S	.	.	H	α-helix	trans	-79.5	-39.9	179	-74.1	172.3	178.4	-121.1	-1.6	113.5	E158 I159 A160 H164	E158-R162 HydrophobicContact CG-CG 4.41Å; E158-R162 WeakPolarHBondContact O-CB 3.44Å; E158-R162 VanDerWaalsContact O-CG 3.23Å; E158-R162 WeakPolarHBondContact O-CG 3.27Å; E158-R162 PolarHBondContact O-N 3.23Å; E158-R162 IonicContact OE1-CZ 2.95Å; E158-R162 VanDerWaalsContact OE1-CZ 3.27Å; E158-R162 IonicContact OE1-NE 3.13Å; E158-R162 PolarHBondContact OE1-NE 2.85Å; E158-R162 VanDerWaalsContact OE1-NE 3.11Å; E158-R162 IonicContact OE1-NH2 2.86Å; E158-R162 PolarHBondContact OE1-NH2 3.18Å; I159-R162 PolarHBondContact O-N 2.92Å; A160-R162 VanDerWaalsContact C-N 3.35Å; A160-R162 PolarHBondContact O-N 3.29Å; R162-H164 VanDerWaalsContact C-N 3.31Å
163	L	47.3	Very low	53.2	Low	9 Å²	9	55.5 Å²	55.5	5%	0.047	27%	0.272	C	S	.	.	H	α-helix	trans	-80	-10.4	-178.8	-70.7	-175.5	0	0	0	113.7	T87 N88 I159 V165 I170	T87-L163 HydrophobicContact CG2-CD2 4.46Å; T87-L163 VanDerWaalsContact OG1-CD2 3.3Å; T87-L163 WeakPolarHBondContact OG1-CD2 3.34Å; N88-L163 VanDerWaalsContact ND2-CD2 3.33Å; N88-L163 WeakPolarHBondContact ND2-CD2 3.23Å; I159-L163 HydrophobicContact CG2-CD1 3.53Å; I159-L163 HydrophobicContact CG2-CG 4.04Å; I159-L163 WeakPolarHBondContact O-CB 3.46Å; I159-L163 WeakPolarHBondContact O-CG 3.15Å; I159-L163 PolarHBondContact O-N 3.01Å; L163-V165 HydrophobicContact CB-CB 3.92Å; L163-V165 HydrophobicContact CB-CG2 3.8Å; L163-V165 PolarHBondContact O-N 3.04Å; L163-I170 HydrophobicContact CD1-CD1 4.41Å
164	H	54.6	Low	53.9	Low	179 Å²	179	50.5 Å²	50.5	83%	0.829	25%	0.251	S	S	*	.			trans	55.5	14.5	-164.1	-62.9	-97.1	0	0	0	114	A160 R162	A160-H164 PolarHBondContact O-N 3.42Å; R162-H164 VanDerWaalsContact C-N 3.31Å
165	V	56.3	Low	54.6	Low	11 Å²	11	48.2 Å²	48.2	7%	0.067	24%	0.237	C	C	.	.			trans	-87.3	133.5	178.5	169	0	0	0	0	109.7	F54 A160 L163 V167 K169 I170	F54-V165 HydrophobicContact CD1-CG2 4.23Å; F54-V165 HydrophobicContact CE1-CB 4.47Å; F54-V165 HydrophobicContact CE1-CG1 3.91Å; F54-V165 HydrophobicContact CE1-CG2 3.71Å; F54-V165 HydrophobicContact CZ-CG1 4.24Å; F54-V165 HydrophobicContact CZ-CG2 4.34Å; A160-V165 PolarHBondContact O-N 2.9Å; L163-V165 HydrophobicContact CB-CB 3.92Å; L163-V165 HydrophobicContact CB-CG2 3.8Å; L163-V165 PolarHBondContact O-N 3.04Å; V165-V167 PolarHBondContact O-N 3.49Å; V165-K169 HydrophobicContact CG1-CB 3.92Å; V165-K169 HydrophobicContact CG1-CD 4.25Å; V165-I170 HydrophobicContact CB-CD1 3.87Å; V165-I170 HydrophobicContact CG1-CD1 3.72Å; V165-I170 HydrophobicContact CG1-CG1 3.86Å
166	D	59.3	Low	54.7	Low	90 Å²	90	46 Å²	46	48%	0.481	23%	0.226	S	C	.	.			trans	-50.1	131.4	178.5	174.5	11.1	0	0	0	112.5	A168 K169 I170	D166-A168 PolarHBondContact O-N 2.85Å; D166-A168 VanDerWaalsContact O-N 3.14Å; D166-A168 PolarHBondContact OD1-N 3.47Å; D166-A168 WeakPolarHBondContact OD2-CB 3.27Å; D166-K169 HydrophobicContact CB-CD 4.39Å; D166-K169 HydrophobicContact CB-CG 4.12Å; D166-K169 WeakPolarHBondContact O-CB 3.38Å; D166-K169 PolarHBondContact O-N 3.38Å; D166-I170 PolarHBondContact O-N 3.39Å
167	V	56.8	Low	55	Low	20 Å²	20	46.4 Å²	46.4	12%	0.121	23%	0.225	C	C	.	.	H	α-helix	trans	-51.8	-34.8	175.1	-179.7	0	0	0	0	111.1	L157 A160 V165 T171 L188	L157-V167 HydrophobicContact CD1-CG2 3.99Å; A160-V167 HydrophobicContact CB-CB 4.47Å; A160-V167 HydrophobicContact CB-CG2 3.73Å; V165-V167 PolarHBondContact O-N 3.49Å; V167-T171 WeakPolarHBondContact O-CB 3.18Å; V167-T171 PolarHBondContact O-N 3.23Å; V167-T171 PolarHBondContact O-OG1 3.47Å; V167-L188 HydrophobicContact CG1-CB 4.48Å
168	A	59.9	Low	55.2	Low	34 Å²	34	47.3 Å²	47.3	28%	0.281	25%	0.245	S	C	.	.	H	α-helix	trans	-64.9	-41.5	175.7	0	0	0	0	0	112.3	D166 T171 L172 V189	D166-A168 PolarHBondContact O-N 2.85Å; D166-A168 VanDerWaalsContact O-N 3.14Å; D166-A168 PolarHBondContact OD1-N 3.47Å; D166-A168 WeakPolarHBondContact OD2-CB 3.27Å; A168-T171 WeakPolarHBondContact O-CB 3.24Å; A168-T171 PolarHBondContact O-N 2.91Å; A168-L172 WeakPolarHBondContact O-CB 3.12Å; A168-L172 PolarHBondContact O-N 3.48Å; A168-V189 HydrophobicContact CB-CG2 4.17Å
169	K	62.2	Low	55.1	Low	63 Å²	63	48.5 Å²	48.5	27%	0.274	26%	0.26	S	S	.	.	H	α-helix	trans	-64.5	-46.6	177.4	-63.2	-174.5	-173.9	-172.6	0	111.7	E55 F58 V165 D166 T171 L172 L173	E55-K169 WeakPolarHBondContact OE1-CD 3.33Å; E55-K169 IonicContact OE1-NZ 2.77Å; E55-K169 PolarHBondContact OE1-NZ 3.01Å; E55-K169 IonicContact OE2-NZ 3.04Å; E55-K169 PolarHBondContact OE2-NZ 2.81Å; F58-K169 HydrophobicContact CD1-CD 4.19Å; F58-K169 HydrophobicContact CD1-CG 4.43Å; F58-K169 HydrophobicContact CE1-CB 3.79Å; F58-K169 HydrophobicContact CE1-CD 3.78Å; F58-K169 HydrophobicContact CE1-CG 3.59Å; F58-K169 HydrophobicContact CE2-CB 4.14Å; F58-K169 WeakPolarHBondContact CE2-O 3.41Å; F58-K169 HydrophobicContact CZ-CB 3.56Å; F58-K169 HydrophobicContact CZ-CD 4.43Å; F58-K169 HydrophobicContact CZ-CG 3.8Å; V165-K169 HydrophobicContact CG1-CB 3.92Å; V165-K169 HydrophobicContact CG1-CD 4.25Å; D166-K169 HydrophobicContact CB-CD 4.39Å; D166-K169 HydrophobicContact CB-CG 4.12Å; D166-K169 WeakPolarHBondContact O-CB 3.38Å; D166-K169 PolarHBondContact O-N 3.38Å; K169-T171 VanDerWaalsContact C-N 3.31Å; K169-T171 PolarHBondContact O-N 3.19Å; K169-L172 WeakPolarHBondContact O-CB 3.24Å; K169-L172 PolarHBondContact O-N 2.91Å; K169-L173 PolarHBondContact O-N 3.34Å
170	I	57.2	Low	55.1	Low	10 Å²	10	49.1 Å²	49.1	5%	0.051	26%	0.264	C	S	.	.	H	α-helix	trans	-65.6	-35.1	176.5	-77.5	157.5	0	0	0	111.9	L156 I159 A160 L163 V165 D166 L173 G174	L156-I170 HydrophobicContact CB-CG2 4.44Å; L156-I170 HydrophobicContact CD2-CG2 3.61Å; I159-I170 HydrophobicContact CG2-CD1 3.86Å; I159-I170 HydrophobicContact CG2-CG1 4.43Å; A160-I170 HydrophobicContact CB-CD1 3.62Å; L163-I170 HydrophobicContact CD1-CD1 4.41Å; V165-I170 HydrophobicContact CB-CD1 3.87Å; V165-I170 HydrophobicContact CG1-CD1 3.72Å; V165-I170 HydrophobicContact CG1-CG1 3.86Å; D166-I170 PolarHBondContact O-N 3.39Å; I170-L173 WeakPolarHBondContact O-CB 3.5Å; I170-L173 PolarHBondContact O-N 2.93Å; I170-G174 PolarHBondContact O-N 2.98Å
171	T	57.8	Low	55.2	Low	7 Å²	7	56.4 Å²	56.4	4%	0.043	29%	0.294	C	S	.	.	H	α-helix	trans	-65.1	-42.5	172.6	-66	0	0	0	0	111.8	V167 A168 K169 G174 Q175 A185 L188	V167-T171 WeakPolarHBondContact O-CB 3.18Å; V167-T171 PolarHBondContact O-N 3.23Å; V167-T171 PolarHBondContact O-OG1 3.47Å; A168-T171 WeakPolarHBondContact O-CB 3.24Å; A168-T171 PolarHBondContact O-N 2.91Å; K169-T171 VanDerWaalsContact C-N 3.31Å; K169-T171 PolarHBondContact O-N 3.19Å; T171-G174 WeakPolarHBondContact O-CA 3.47Å; T171-G174 PolarHBondContact O-N 3.01Å; T171-G174 VanDerWaalsContact O-N 3.16Å; T171-Q175 PolarHBondContact O-N 2.81Å; T171-A185 VanDerWaalsContact CG2-CA 3.43Å; T171-A185 HydrophobicContact CG2-CB 3.31Å; T171-L188 HydrophobicContact CG2-CB 4.26Å; T171-L188 HydrophobicContact CG2-CD1 4.06Å; T171-L188 WeakPolarHBondContact OG1-CB 3.28Å; T171-L188 WeakPolarHBondContact OG1-CD1 3.32Å
172	L	60.3	Low	54.6	Low	62 Å²	62	54.5 Å²	54.5	33%	0.325	30%	0.295	S	S	.	.	H	α-helix	trans	-66	-38.7	176.3	-161.3	68.2	0	0	0	111.1	F58 V62 A168 K169 G174 Q175 I176	F58-L172 HydrophobicContact CE2-CB 4.35Å; F58-L172 HydrophobicContact CE2-CD2 4.43Å; F58-L172 HydrophobicContact CZ-CB 4.29Å; F58-L172 HydrophobicContact CZ-CD2 3.92Å; V62-L172 HydrophobicContact CG1-CD2 4.02Å; V62-L172 HydrophobicContact CG2-CD2 3.6Å; V62-L172 HydrophobicContact CG2-CG 4.44Å; A168-L172 WeakPolarHBondContact O-CB 3.12Å; A168-L172 PolarHBondContact O-N 3.48Å; K169-L172 WeakPolarHBondContact O-CB 3.24Å; K169-L172 PolarHBondContact O-N 2.91Å; L172-G174 VanDerWaalsContact C-N 3.31Å; L172-G174 PolarHBondContact O-N 3.41Å; L172-Q175 WeakPolarHBondContact O-CA 3.38Å; L172-Q175 WeakPolarHBondContact O-CB 3.47Å; L172-Q175 PolarHBondContact O-N 3.32Å; L172-I176 HydrophobicContact CG-CD1 4.35Å; L172-I176 WeakPolarHBondContact O-CG1 3.31Å; L172-I176 PolarHBondContact O-N 2.98Å
173	L	57.9	Low	54.6	Low	9 Å²	9	54 Å²	54	5%	0.047	31%	0.308	C	S	.	.	H	α-helix	trans	-56.4	-43.3	168.6	-93.8	164.8	0	0	0	112.3	F54 F58 L80 K169 I170 Q175 I176 Y177	F54-L173 HydrophobicContact CE2-CD1 4.24Å; F54-L173 HydrophobicContact CZ-CD1 3.87Å; F58-L173 HydrophobicContact CD2-CD1 3.85Å; F58-L173 HydrophobicContact CD2-CD2 4.28Å; F58-L173 HydrophobicContact CD2-CG 3.7Å; F58-L173 HydrophobicContact CE2-CD1 4.23Å; F58-L173 HydrophobicContact CE2-CG 3.85Å; L80-L173 HydrophobicContact CD2-CD1 4.27Å; L80-L173 HydrophobicContact CD2-CD2 3.33Å; L80-L173 HydrophobicContact CD2-CG 4.34Å; L80-L173 HydrophobicContact CG-CD2 4.29Å; K169-L173 PolarHBondContact O-N 3.34Å; I170-L173 WeakPolarHBondContact O-CB 3.5Å; I170-L173 PolarHBondContact O-N 2.93Å; L173-Q175 PolarHBondContact O-N 3.47Å; L173-I176 PolarHBondContact O-N 2.67Å; L173-I176 VanDerWaalsContact O-N 3.11Å; L173-Y177 HydrophobicContact CB-CD2 4.4Å; L173-Y177 HydrophobicContact CB-CE2 4.28Å; L173-Y177 HydrophobicContact CD2-CD2 4.15Å; L173-Y177 HydrophobicContact CD2-CE2 3.49Å; L173-Y177 VanDerWaalsContact CD2-CE2 3.49Å; L173-Y177 HydrophobicContact CG-CE2 4.43Å; L173-Y177 WeakPolarHBondContact O-CD2 3.45Å; L173-Y177 PolarHBondContact O-N 2.81Å
174	G	52.6	Low	54.4	Low	3 Å²	3	60.9 Å²	60.9	3%	0.031	33%	0.333	C	S	.	.	H	α-helix	trans	-55.8	-37.9	172.9	0	0	0	0	0	113.3	I170 T171 L172 G178 S179 L180	I170-G174 PolarHBondContact O-N 2.98Å; T171-G174 WeakPolarHBondContact O-CA 3.47Å; T171-G174 PolarHBondContact O-N 3.01Å; T171-G174 VanDerWaalsContact O-N 3.16Å; L172-G174 VanDerWaalsContact C-N 3.31Å; L172-G174 PolarHBondContact O-N 3.41Å; G174-G178 PolarHBondContact O-N 2.95Å; G174-S179 PolarHBondContact O-N 2.77Å; G174-S179 PolarHBondContact O-OG 3.48Å; G174-S179 VanDerWaalsContact O-OG 3.11Å; G174-L180 PolarHBondContact O-N 3.3Å
175	Q	61.1	Low	53.5	Low	62 Å²	62	52.5 Å²	52.5	29%	0.29	29%	0.294	S	S	.	.	H	α-helix	trans	-70.4	-44.1	172.8	-57.3	-175.5	9.2	0	0	111.9	T171 L172 L173 Y177 G178 A185	T171-Q175 PolarHBondContact O-N 2.81Å; L172-Q175 WeakPolarHBondContact O-CA 3.38Å; L172-Q175 WeakPolarHBondContact O-CB 3.47Å; L172-Q175 PolarHBondContact O-N 3.32Å; L173-Q175 PolarHBondContact O-N 3.47Å; Q175-Y177 VanDerWaalsContact C-N 3.3Å; Q175-Y177 PolarHBondContact O-N 2.65Å; Q175-G178 WeakPolarHBondContact O-CA 3.3Å; Q175-G178 PolarHBondContact O-N 3.4Å; Q175-A185 HydrophobicContact CG-CB 4.26Å
176	I	57	Low	52.7	Low	14 Å²	14	56.4 Å²	56.4	7%	0.072	32%	0.318	C	S	.	.	H	α-helix	trans	-64.8	-31.9	-178.7	-69.3	165.9	0	0	0	112.3	M61 V62 R77 L172 L173 G178	M61-I176 HydrophobicContact CE-CG2 3.45Å; M61-I176 VanDerWaalsContact CE-CG2 3.45Å; M61-I176 HydrophobicContact SD-CG2 4.43Å; V62-I176 HydrophobicContact CG2-CD1 3.76Å; R77-I176 PolarHBondContact NH2-O 3.39Å; L172-I176 HydrophobicContact CG-CD1 4.35Å; L172-I176 WeakPolarHBondContact O-CG1 3.31Å; L172-I176 PolarHBondContact O-N 2.98Å; L173-I176 PolarHBondContact O-N 2.67Å; L173-I176 VanDerWaalsContact O-N 3.11Å; I176-G178 VanDerWaalsContact C-N 3.33Å
177	Y	55.2	Low	51.8	Low	44 Å²	44	55 Å²	55	17%	0.173	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-9.1	170.8	-71.8	-59.4	0	0	0	113.9	R77 R81 L173 Q175 S179	R77-Y177 HydrophobicContact CB-CE1 4.04Å; R77-Y177 HydrophobicContact CG-CD1 4.14Å; R77-Y177 HydrophobicContact CG-CE1 3.81Å; R81-Y177 HydrophobicContact CG-CE1 4.24Å; L173-Y177 HydrophobicContact CB-CD2 4.4Å; L173-Y177 HydrophobicContact CB-CE2 4.28Å; L173-Y177 HydrophobicContact CD2-CD2 4.15Å; L173-Y177 HydrophobicContact CD2-CE2 3.49Å; L173-Y177 VanDerWaalsContact CD2-CE2 3.49Å; L173-Y177 HydrophobicContact CG-CE2 4.43Å; L173-Y177 WeakPolarHBondContact O-CD2 3.45Å; L173-Y177 PolarHBondContact O-N 2.81Å; Q175-Y177 VanDerWaalsContact C-N 3.3Å; Q175-Y177 PolarHBondContact O-N 2.65Å; Y177-S179 PolarHBondContact O-N 3.17Å
178	G	54.2	Low	51.1	Low	65 Å²	65	54.6 Å²	54.6	67%	0.67	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.9	16.3	-172.6	0	0	0	0	0	114.1	G174 Q175 I176	G174-G178 PolarHBondContact O-N 2.95Å; Q175-G178 WeakPolarHBondContact O-CA 3.3Å; Q175-G178 PolarHBondContact O-N 3.4Å; I176-G178 VanDerWaalsContact C-N 3.33Å
179	S	51.3	Low	50.3	Low	85 Å²	85	56.3 Å²	56.3	59%	0.594	32%	0.323	S	S	*	.			trans	-87.3	-20.8	179	53.2	0	0	0	0	113.1	G174 Y177	G174-S179 PolarHBondContact O-N 2.77Å; G174-S179 PolarHBondContact O-OG 3.48Å; G174-S179 VanDerWaalsContact O-OG 3.11Å; Y177-S179 PolarHBondContact O-N 3.17Å
180	L	47.6	Very low	49.3	Very low	26 Å²	26	58.8 Å²	58.8	14%	0.136	34%	0.339	C	S	.	.	S	Bend	trans	-114.7	136.7	170.8	-96.8	81.4	0	0	0	112.8	L156 G174 R184 L188	L156-L180 HydrophobicContact CD1-CD1 3.55Å; G174-L180 PolarHBondContact O-N 3.3Å; L180-R184 HydrophobicContact CD2-CB 4.17Å; L180-R184 HydrophobicContact CG-CB 4.49Å; L180-L188 HydrophobicContact CD2-CD1 3.42Å; L180-L188 VanDerWaalsContact CD2-CD1 3.42Å
181	K	51.2	Low	48.6	Very low	158 Å²	158	60.3 Å²	60.3	69%	0.687	36%	0.358	S	S	*	.			trans	-74.5	144.5	163.1	-65.2	-172.2	177.5	-173.9	0	109.7	S183 R184 A185	K181-S183 PolarHBondContact O-N 3.44Å; K181-S183 VanDerWaalsContact O-N 3.12Å; K181-R184 PolarHBondContact O-N 2.88Å; K181-A185 PolarHBondContact O-N 3.39Å
182	P	40.9	Very low	47.7	Very low	89 Å²	89	61.6 Å²	61.6	58%	0.578	37%	0.367	S	S	*	.	H	α-helix	trans	-52.8	-36.4	179.6	-29.2	35.8	0	0	0	114.5	R184 A185 V186	P182-R184 VanDerWaalsContact C-N 3.3Å; P182-R184 PolarHBondContact O-N 3.13Å; P182-A185 WeakPolarHBondContact O-CB 3.17Å; P182-A185 PolarHBondContact O-N 2.83Å; P182-V186 PolarHBondContact O-N 3.18Å
183	S	45.4	Very low	46.5	Very low	95 Å²	95	63.1 Å²	63.1	66%	0.664	39%	0.388	S	S	*	.	H	α-helix	trans	-64.7	-26.3	177.3	53.1	0	0	0	0	114.7	K181	K181-S183 PolarHBondContact O-N 3.44Å; K181-S183 VanDerWaalsContact O-N 3.12Å
184	R	44.5	Very low	45.6	Very low	152 Å²	152	72 Å²	72	57%	0.574	43%	0.427	S	S	*	.	H	α-helix	trans	-81.7	-23.5	171	-84.7	-172.2	169.1	-177.1	-4.6	112.7	L180 K181 P182 L188	L180-R184 HydrophobicContact CD2-CB 4.17Å; L180-R184 HydrophobicContact CG-CB 4.49Å; K181-R184 PolarHBondContact O-N 2.88Å; P182-R184 VanDerWaalsContact C-N 3.3Å; P182-R184 PolarHBondContact O-N 3.13Å; R184-L188 PolarHBondContact O-N 3.32Å
185	A	34	Very low	44.8	Very low	3 Å²	3	75.3 Å²	75.3	3%	0.025	45%	0.449	C	S	.	.	H	α-helix	trans	-71.1	-44.4	179	0	0	0	0	0	112.5	T171 Q175 K181 P182 A187 L188 V189	T171-A185 VanDerWaalsContact CG2-CA 3.43Å; T171-A185 HydrophobicContact CG2-CB 3.31Å; Q175-A185 HydrophobicContact CG-CB 4.26Å; K181-A185 PolarHBondContact O-N 3.39Å; P182-A185 WeakPolarHBondContact O-CB 3.17Å; P182-A185 PolarHBondContact O-N 2.83Å; A185-A187 PolarHBondContact O-N 3.39Å; A185-L188 PolarHBondContact O-N 2.89Å; A185-L188 VanDerWaalsContact O-N 3.09Å; A185-V189 PolarHBondContact O-N 3.03Å
186	V	40.4	Very low	43.5	Very low	93 Å²	93	79.7 Å²	79.7	56%	0.564	47%	0.474	S	S	*	.	H	α-helix	trans	-60.4	-34.3	176.9	-179.1	0	0	0	0	111.6	P182 N190	P182-V186 PolarHBondContact O-N 3.18Å; V186-N190 PolarHBondContact O-N 3.37Å
187	A	40.8	Very low	42.1	Very low	61 Å²	61	86.6 Å²	86.6	50%	0.504	51%	0.511	S	S	.	.	H	α-helix	trans	-69.1	-30.4	176.2	0	0	0	0	0	113.9	A185 G191	A185-A187 PolarHBondContact O-N 3.39Å; A187-G191 PolarHBondContact O-N 3.32Å
188	L	42.7	Very low	41.1	Very low	12 Å²	12	91.6 Å²	91.6	6%	0.063	54%	0.536	C	S	.	.	H	α-helix	trans	-70.1	-48.4	178.7	-81.9	165.7	0	0	0	111.9	F153 V167 T171 L180 R184 A185 N190 G191 S192	F153-L188 HydrophobicContact CD2-CD2 3.87Å; F153-L188 HydrophobicContact CE2-CD2 3.48Å; F153-L188 VanDerWaalsContact CE2-CD2 3.48Å; F153-L188 HydrophobicContact CE2-CG 4.33Å; F153-L188 HydrophobicContact CZ-CD2 4.12Å; V167-L188 HydrophobicContact CG1-CB 4.48Å; T171-L188 HydrophobicContact CG2-CB 4.26Å; T171-L188 HydrophobicContact CG2-CD1 4.06Å; T171-L188 WeakPolarHBondContact OG1-CB 3.28Å; T171-L188 WeakPolarHBondContact OG1-CD1 3.32Å; L180-L188 HydrophobicContact CD2-CD1 3.42Å; L180-L188 VanDerWaalsContact CD2-CD1 3.42Å; R184-L188 PolarHBondContact O-N 3.32Å; A185-L188 PolarHBondContact O-N 2.89Å; A185-L188 VanDerWaalsContact O-N 3.09Å; L188-N190 PolarHBondContact O-N 2.79Å; L188-G191 PolarHBondContact O-N 2.97Å; L188-S192 PolarHBondContact O-N 3.5Å
189	V	41.7	Very low	40.2	Very low	69 Å²	69	97.2 Å²	97.2	42%	0.418	54%	0.542	S	S	.	.	H	α-helix	trans	-60.7	-46.8	179.8	-179.2	0	0	0	0	110.6	A168 A185 G191	A168-V189 HydrophobicContact CB-CG2 4.17Å; A185-V189 PolarHBondContact O-N 3.03Å; V189-G191 VanDerWaalsContact C-N 3.27Å; V189-G191 PolarHBondContact O-N 3.41Å
190	N	42.1	Very low	39	Very low	115 Å²	115	97 Å²	97	62%	0.615	55%	0.553	S	S	*	*	H	α-helix	trans	-71.8	-16.9	-178.1	-67.1	-6.7	0	0	0	114.1	V186 L188	V186-N190 PolarHBondContact O-N 3.37Å; L188-N190 PolarHBondContact O-N 2.79Å
191	G	41.3	Very low	38.2	Very low	43 Å²	43	101.4 Å²	101.4	44%	0.443	59%	0.586	S	S	.	*	H	α-helix	trans	-81.2	-34.5	178.6	0	0	0	0	0	114	A187 L188 V189 A193	A187-G191 PolarHBondContact O-N 3.32Å; L188-G191 PolarHBondContact O-N 2.97Å; V189-G191 VanDerWaalsContact C-N 3.27Å; V189-G191 PolarHBondContact O-N 3.41Å; G191-A193 VanDerWaalsContact C-N 3.35Å; G191-A193 PolarHBondContact O-N 2.91Å
192	S	40.4	Very low	37.1	Very low	34 Å²	34	99.9 Å²	99.9	24%	0.238	59%	0.59	C	S	.	*	H	α-helix	trans	-70.6	-28	-170.5	-162.4	0	0	0	0	114	L188 K194	L188-S192 PolarHBondContact O-N 3.5Å; S192-K194 PolarHBondContact O-N 3.45Å
193	A	34.9	Very low	36.6	Very low	93 Å²	93	103.6 Å²	103.6	77%	0.769	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	3	-172.3	0	0	0	0	0	115.8	G191	G191-A193 VanDerWaalsContact C-N 3.35Å; G191-A193 PolarHBondContact O-N 2.91Å
194	K	38.2	Very low	35.8	Very low	196 Å²	196	107.7 Å²	107.7	85%	0.852	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.1	5	-175.7	-69.7	-170.2	174.4	-173.8	0	115.5	S192	S192-K194 PolarHBondContact O-N 3.45Å
195	S	36.6	Very low	35	Very low	73 Å²	73	107.7 Å²	107.7	51%	0.51	62%	0.624	S	S	.	*	S	Bend	trans	-125.2	18.1	-168.2	69.4	0	0	0	0	116.3
196	L	32.4	Very low	34.7	Very low	153 Å²	153	114.1 Å²	114.1	80%	0.801	66%	0.662	S	S	*	*			trans	-135.1	95.8	-179.9	-76.5	167.8	0	0	0	110.4
197	N	28.5	Very low	34.2	Very low	160 Å²	160	113.9 Å²	113.9	86%	0.856	67%	0.665	S	S	*	*			trans	-158.2	153.6	165.5	-147.8	-10.3	0	0	0	109.3
198	E	33.2	Very low	33.5	Very low	148 Å²	148	118.3 Å²	118.3	69%	0.692	68%	0.68	S	S	*	*			trans	66.9	142.2	-172	-48.8	-156	116.4	0	0	116.3
199	K	36.9	Very low	32.8	Very low	184 Å²	184	121.5 Å²	121.5	80%	0.8	72%	0.716	S	S	*	*			cis	-162.6	146.8	-26.5	-116.1	160.3	-169.5	163.9	0	106.5
200	G	26.3	Very low	32.2	Very low	80 Å²	80	124 Å²	124	83%	0.825	74%	0.736	S	S	*	*			trans	-119	166.5	-178.5	0	0	0	0	0	113.9
201	S	29.1	Very low	31.6	Very low	118 Å²	118	126.8 Å²	126.8	83%	0.825	75%	0.745	S	S	*	*			trans	-155.6	151.4	162.9	-159.3	0	0	0	0	110.2
202	T	28.2	Very low	31.1	Very low	127 Å²	127	131.4 Å²	131.4	78%	0.779	76%	0.76	S	S	*	*			trans	-136.9	153.8	-180	48.1	0	0	0	0	109.3
203	D	30.9	Very low	30.5	Very low	166 Å²	166	137.4 Å²	137.4	89%	0.888	78%	0.784	S	S	*	*			trans	-155	161	158.1	-96.9	-42.4	0	0	0	111.6
204	Q	28.2	Very low	30.1	Very low	182 Å²	182	138.9 Å²	138.9	85%	0.85	78%	0.779	S	S	*	*			trans	-115	179	-179.3	-61.7	178	-17.1	0	0	110.9
205	I	29.2	Very low	29.6	Very low	152 Å²	152	136.4 Å²	136.4	78%	0.779	77%	0.774	S	S	*	*			trans	169.3	117.7	131.5	-88.4	157.8	0	0	0	113.6
206	V	26.2	Very low	29.2	Very low	137 Å²	137	139.1 Å²	139.1	83%	0.83	78%	0.782	S	S	*	*			trans	57.8	152.7	136.2	-170.6	0	0	0	0	122.6
207	S	29.8	Very low	29.1	Very low	89 Å²	89	137.4 Å²	137.4	62%	0.622	78%	0.782	S	S	*	*			trans	-121	175.3	-170.4	53	0	0	0	0	114.5
208	N	27.2	Very low	29	Very low	154 Å²	154	136.9 Å²	136.9	82%	0.824	78%	0.779	S	S	*	*				159.3	142.2	126.4	-80.4	-2.5	0	0	0	116.9
209	G	26.8	Very low	28.8	Very low	79 Å²	79	135.1 Å²	135.1	81%	0.814	78%	0.784	S	S	*	*			trans	80.7	154.1	150.3	0	0	0	0	0	119.2
210	S	30.4	Very low	28.5	Very low	122 Å²	122	132.3 Å²	132.3	85%	0.853	79%	0.787	S	S	*	*			cis	-164.2	174.3	-14.9	54.7	0	0	0	0	111
211	E	29.1	Very low	28.6	Very low	172 Å²	172	132.6 Å²	132.6	80%	0.804	78%	0.782	S	S	*	*			trans	-86.8	164.3	-160.5	-52.8	144.8	103.3	0	0	118.1
212	N	31	Very low	28.6	Very low	140 Å²	140	134.3 Å²	134.3	75%	0.749	78%	0.782	S	S	*	*			trans	-177	124.5	133.7	-90.6	-46.4	0	0	0	109
213	Q	27.8	Very low	28.8	Very low	160 Å²	160	137.2 Å²	137.2	75%	0.748	79%	0.786	S	S	*	*				71.3	139.7	71.3	-73.7	-158.3	55.4	0	0	115.5
214	L	26.4	Very low	28.7	Very low	124 Å²	124	137.2 Å²	137.2	65%	0.649	78%	0.779	S	S	*	*			cis	-171.4	-177.6	-20.7	-151.8	124.7	0	0	0	109.2	I216	L214-I216 HydrophobicContact CD2-CD1 4.37Å
215	L	28.4	Very low	28.8	Very low	144 Å²	144	133.3 Å²	133.3	75%	0.754	76%	0.763	S	S	*	*			trans	82.7	116.9	166.7	-54.3	166.1	0	0	0	116.1
216	I	27.1	Very low	28.9	Very low	131 Å²	131	129.9 Å²	129.9	67%	0.672	76%	0.758	S	S	*	*			cis	87.3	122.3	46.3	-67.7	176.8	0	0	0	114.2	L214	L214-I216 HydrophobicContact CD2-CD1 4.37Å
217	S	31.2	Very low	29.3	Very low	117 Å²	117	129.3 Å²	129.3	82%	0.818	75%	0.75	S	S	*	*			trans	-174	121.5	132.1	-77.3	0	0	0	0	112.3
218	D	25.2	Very low	29.5	Very low	148 Å²	148	127.8 Å²	127.8	79%	0.791	74%	0.737	S	S	*	*			trans	-78	161.8	170.4	-41.8	-98.1	0	0	0	112.3
219	S	29.6	Very low	29.6	Very low	112 Å²	112	122.7 Å²	122.7	78%	0.783	71%	0.711	S	S	*	*			trans	-167.4	132.1	138.1	10.6	0	0	0	0	115.6
220	S	31	Very low	29.9	Very low	124 Å²	124	122.3 Å²	122.3	87%	0.867	70%	0.701	S	S	*	*			trans	72.3	131.4	148.8	68.9	0	0	0	0	120
221	A	28.1	Very low	30.3	Very low	87 Å²	87	123.3 Å²	123.3	72%	0.719	69%	0.692	S	S	*	*			trans	-101.4	154.7	164.1	0	0	0	0	0	110.9
222	N	29.7	Very low	30.4	Very low	154 Å²	154	120.5 Å²	120.5	82%	0.824	68%	0.679	S	S	*	*			trans	-174.8	153.3	134.1	-92.2	-35.5	0	0	0	110.8
223	H	31.6	Very low	30.5	Very low	187 Å²	187	119.6 Å²	119.6	87%	0.866	67%	0.673	S	S	*	*			trans	55.5	108.1	178.5	-69.8	-82.9	0	0	0	116.7
224	F	28.4	Very low	30.8	Very low	167 Å²	167	114.4 Å²	114.4	73%	0.732	66%	0.658	S	S	*	*			trans	-115.7	111	168.4	-119.5	-122.7	0	0	0	108.9	V229	F224-V229 HydrophobicContact CD1-CG2 3.52Å; F224-V229 HydrophobicContact CE1-CB 4.39Å; F224-V229 HydrophobicContact CE1-CG1 4.09Å; F224-V229 HydrophobicContact CE1-CG2 3.47Å; F224-V229 VanDerWaalsContact CE1-CG2 3.47Å; F224-V229 HydrophobicContact CZ-CG2 4.47Å
225	D	31.1	Very low	31.1	Very low	99 Å²	99	115.9 Å²	115.9	53%	0.529	66%	0.663	S	S	.	*			trans	-89.8	133.1	167.3	-171.3	-26.6	0	0	0	108.2	N227 T228 V229	D225-N227 PolarHBondContact O-N 3.35Å; D225-N227 PolarHBondContact OD1-N 3.33Å; D225-T228 PolarHBondContact O-N 3.44Å; D225-V229 WeakPolarHBondContact O-CG2 3.47Å
226	A	32	Very low	31.1	Very low	80 Å²	80	112.3 Å²	112.3	66%	0.661	65%	0.65	S	S	*	*	H	α-helix	trans	-62.6	-29.9	-172.4	0	0	0	0	0	113
227	N	34.1	Very low	31.4	Very low	126 Å²	126	113 Å²	113	67%	0.674	66%	0.661	S	S	*	*	H	α-helix	trans	-73.1	-39.1	179.3	-69.3	-20.4	0	0	0	111.9	D225 V229 A230	D225-N227 PolarHBondContact O-N 3.35Å; D225-N227 PolarHBondContact OD1-N 3.33Å; N227-V229 PolarHBondContact O-N 3.12Å; N227-A230 PolarHBondContact O-N 3.42Å; N227-A230 VanDerWaalsContact O-N 3.14Å
228	T	33.8	Very low	32	Very low	57 Å²	57	113 Å²	113	35%	0.35	65%	0.648	S	S	.	*	H	α-helix	trans	-63.9	-27	179.9	-43.8	0	0	0	0	112.4	D225 A230 E231 Q232	D225-T228 PolarHBondContact O-N 3.44Å; T228-A230 VanDerWaalsContact C-N 3.33Å; T228-A230 PolarHBondContact O-N 2.97Å; T228-E231 PolarHBondContact O-N 2.62Å; T228-Q232 HydrophobicContact CG2-CG 4.17Å; T228-Q232 WeakPolarHBondContact O-CB 3.21Å; T228-Q232 WeakPolarHBondContact O-CG 3.36Å; T228-Q232 PolarHBondContact O-N 2.99Å
229	V	29.6	Very low	33.2	Very low	46 Å²	46	111.4 Å²	111.4	28%	0.279	64%	0.639	S	S	.	*	H	α-helix	trans	-64.4	-37.8	176.6	-163.2	0	0	0	0	111.6	F224 D225 N227 E231 L233	F224-V229 HydrophobicContact CD1-CG2 3.52Å; F224-V229 HydrophobicContact CE1-CB 4.39Å; F224-V229 HydrophobicContact CE1-CG1 4.09Å; F224-V229 HydrophobicContact CE1-CG2 3.47Å; F224-V229 VanDerWaalsContact CE1-CG2 3.47Å; F224-V229 HydrophobicContact CZ-CG2 4.47Å; D225-V229 WeakPolarHBondContact O-CG2 3.47Å; N227-V229 PolarHBondContact O-N 3.12Å; V229-E231 VanDerWaalsContact C-N 3.3Å; V229-E231 PolarHBondContact O-N 3.13Å; V229-L233 HydrophobicContact CG1-CD1 4.11Å; V229-L233 HydrophobicContact CG1-CG 4.43Å; V229-L233 VanDerWaalsContact O-CB 3.27Å; V229-L233 WeakPolarHBondContact O-CB 3.3Å; V229-L233 WeakPolarHBondContact O-CD1 3.4Å; V229-L233 VanDerWaalsContact O-CG 3.23Å; V229-L233 WeakPolarHBondContact O-CG 3.43Å; V229-L233 PolarHBondContact O-N 2.95Å
230	A	33.5	Very low	34.5	Very low	72 Å²	72	107.8 Å²	107.8	60%	0.595	61%	0.613	S	S	*	*	H	α-helix	trans	-67.9	-30.9	179.4	0	0	0	0	0	112.5	N227 T228	N227-A230 PolarHBondContact O-N 3.42Å; N227-A230 VanDerWaalsContact O-N 3.14Å; T228-A230 VanDerWaalsContact C-N 3.33Å; T228-A230 PolarHBondContact O-N 2.97Å
231	E	37	Very low	36.1	Very low	142 Å²	142	102 Å²	102	66%	0.664	57%	0.572	S	S	*	*	H	α-helix	trans	-83.5	-40.3	176.9	-62.2	-172.9	126.8	0	0	112.2	T228 V229 L233 A234	T228-E231 PolarHBondContact O-N 2.62Å; V229-E231 VanDerWaalsContact C-N 3.3Å; V229-E231 PolarHBondContact O-N 3.13Å; E231-L233 VanDerWaalsContact C-N 3.32Å; E231-L233 PolarHBondContact O-N 2.98Å; E231-A234 WeakPolarHBondContact O-CA 3.47Å; E231-A234 VanDerWaalsContact O-CB 3.32Å; E231-A234 WeakPolarHBondContact O-CB 3.26Å; E231-A234 PolarHBondContact O-N 3.01Å
232	Q	32.3	Very low	37.6	Very low	113 Å²	113	100 Å²	100	53%	0.528	55%	0.548	S	S	.	.	H	α-helix	trans	-67.8	-31	175.1	-72.3	-178.7	-4.8	0	0	112.5	T228 A234 M235	T228-Q232 HydrophobicContact CG2-CG 4.17Å; T228-Q232 WeakPolarHBondContact O-CB 3.21Å; T228-Q232 WeakPolarHBondContact O-CG 3.36Å; T228-Q232 PolarHBondContact O-N 2.99Å; Q232-A234 PolarHBondContact O-N 2.88Å; Q232-M235 PolarHBondContact O-N 2.84Å
233	L	32.4	Very low	39.4	Very low	121 Å²	121	97.6 Å²	97.6	63%	0.634	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-15.8	168.3	-79.9	168.5	0	0	0	113.5	V229 E231	V229-L233 HydrophobicContact CG1-CD1 4.11Å; V229-L233 HydrophobicContact CG1-CG 4.43Å; V229-L233 VanDerWaalsContact O-CB 3.27Å; V229-L233 WeakPolarHBondContact O-CB 3.3Å; V229-L233 WeakPolarHBondContact O-CD1 3.4Å; V229-L233 VanDerWaalsContact O-CG 3.23Å; V229-L233 WeakPolarHBondContact O-CG 3.43Å; V229-L233 PolarHBondContact O-N 2.95Å; E231-L233 VanDerWaalsContact C-N 3.32Å; E231-L233 PolarHBondContact O-N 2.98Å
234	A	34.8	Very low	40.7	Very low	51 Å²	51	91.1 Å²	91.1	42%	0.421	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	2.6	171.9	0	0	0	0	0	113.7	E231 Q232	E231-A234 WeakPolarHBondContact O-CA 3.47Å; E231-A234 VanDerWaalsContact O-CB 3.32Å; E231-A234 WeakPolarHBondContact O-CB 3.26Å; E231-A234 PolarHBondContact O-N 3.01Å; Q232-A234 PolarHBondContact O-N 2.88Å
235	M	31.4	Very low	42	Very low	156 Å²	156	87.5 Å²	87.5	77%	0.768	50%	0.497	S	S	*	.			trans	-118.7	3.2	-177.1	-63.6	-156.2	74.5	0	0	115.2	Q232 T237	Q232-M235 PolarHBondContact O-N 2.84Å; M235-T237 PolarHBondContact O-N 2.69Å
236	S	29.2	Very low	43.3	Very low	68 Å²	68	85.1 Å²	85.1	48%	0.476	50%	0.495	S	S	.	.			trans	-67.6	127.5	167.6	-166.7	0	0	0	0	109.8	E238	S236-E238 PolarHBondContact O-N 3.26Å
237	T	34.4	Very low	44.3	Very low	147 Å²	147	83 Å²	83	90%	0.902	48%	0.482	S	S	*	.			trans	-76.4	30.5	-175.4	40.2	0	0	0	0	114.5	M235 L239	M235-T237 PolarHBondContact O-N 2.69Å; T237-L239 PolarHBondContact O-N 2.85Å
238	E	42.4	Very low	44.8	Very low	117 Å²	117	81.2 Å²	81.2	55%	0.547	48%	0.475	S	S	.	.			trans	-76.7	115.8	168.3	-72	172	-151	0	0	108.6	S236 P240	S236-E238 PolarHBondContact O-N 3.26Å; E238-P240 WeakPolarHBondContact O-CD 3.42Å
239	L	50.6	Low	45.6	Very low	113 Å²	113	78.6 Å²	78.6	59%	0.592	46%	0.459	S	S	*	.			trans	-59.7	122.8	177.2	-79.1	164.1	0	0	0	109.3	T237 I241	T237-L239 PolarHBondContact O-N 2.85Å; L239-I241 PolarHBondContact O-N 3.36Å
240	P	57.8	Low	46.1	Very low	37 Å²	37	82.6 Å²	82.6	24%	0.24	47%	0.473	C	S	.	.	S	Bend	trans	-70.1	6.6	-176.4	29.8	-36.9	0	0	0	113.7	E238 P268 L329	E238-P240 WeakPolarHBondContact O-CD 3.42Å; P240-P268 WeakPolarHBondContact O-CD 3.28Å; P240-L329 HydrophobicContact CB-CB 4.32Å; P240-L329 HydrophobicContact CB-CD1 4.18Å; P240-L329 HydrophobicContact CG-CB 4.11Å
241	I	63.7	Low	46.6	Very low	2 Å²	2	81.1 Å²	81.1	1%	0.01	45%	0.452	C	S	.	.	S	Bend	trans	-140.7	110.5	175.9	-50	-163.9	0	0	0	109.4	L239 L265 L266 V267 L325 Q326 L329	L239-I241 PolarHBondContact O-N 3.36Å; I241-L265 HydrophobicContact CG2-CB 3.7Å; I241-L265 HydrophobicContact CG2-CD1 4.02Å; I241-L265 HydrophobicContact CG2-CD2 3.94Å; I241-L265 HydrophobicContact CG2-CG 4.1Å; I241-L266 VanDerWaalsContact CA-O 3.29Å; I241-L266 WeakPolarHBondContact CA-O 3.31Å; I241-V267 HydrophobicContact CD1-CG2 4.29Å; I241-V267 HydrophobicContact CG1-CG2 4.12Å; I241-V267 HydrophobicContact CG2-CG2 4.25Å; I241-L325 HydrophobicContact CD1-CB 3.74Å; I241-Q326 HydrophobicContact CB-CG 4.32Å; I241-Q326 HydrophobicContact CD1-CB 4.46Å; I241-Q326 HydrophobicContact CD1-CG 3.71Å; I241-Q326 HydrophobicContact CG1-CG 4.11Å; I241-L329 HydrophobicContact CD1-CD1 3.84Å; I241-L329 HydrophobicContact CG1-CD1 3.66Å
242	H	60.5	Low	46.2	Very low	46 Å²	46	79.1 Å²	79.1	21%	0.213	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	126.5	166.2	-57.3	-88.8	0	0	0	109.4	L244 L265 L266 W305	H242-L244 PolarHBondContact O-N 2.84Å; H242-L265 CarbonylContact O-C 3.41Å; H242-L265 WeakPolarHBondContact O-CA 3.3Å; H242-L266 HydrophobicContact CB-CB 4.3Å; H242-L266 PolarHBondContact N-O 3.35Å; H242-L266 PolarHBondContact O-N 2.92Å; H242-W305 AromaticContact CD2-CH2 3.4Å; H242-W305 VanDerWaalsContact CD2-CH2 3.4Å; H242-W305 WeakPolarHBondContact CD2-CH2 3.5Å; H242-W305 AromaticContact CD2-CZ3 3.63Å; H242-W305 AromaticContact NE2-CH2 3.37Å; H242-W305 WeakPolarHBondContact NE2-CH2 3.39Å; H242-W305 AromaticContact NE2-CZ2 3.96Å
243	K	67.5	Low	46.8	Very low	103 Å²	103	76.3 Å²	76.3	45%	0.448	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	107	-178	-60.8	-172.7	-176.2	-170.8	0	110	L265 I322 Q326	K243-L265 HydrophobicContact CB-CD2 4.34Å; K243-L265 HydrophobicContact CG-CD2 4.08Å; K243-I322 HydrophobicContact CD-CG2 4.32Å; K243-Q326 VanDerWaalsContact NZ-OE1 3.12Å
244	L	59	Low	47.2	Very low	50 Å²	50	78 Å²	78	26%	0.262	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	179.9	176.5	-57.1	177.4	0	0	0	111.6	H242 K263 S264 L266 F307	H242-L244 PolarHBondContact O-N 2.84Å; L244-K263 VanDerWaalsContact O-CE 3.22Å; L244-K263 WeakPolarHBondContact O-CE 3.21Å; L244-K263 PolarHBondContact O-NZ 3.43Å; L244-S264 WeakPolarHBondContact CA-O 3.42Å; L244-S264 VanDerWaalsContact CB-O 3.28Å; L244-S264 WeakPolarHBondContact CB-O 3.46Å; L244-S264 PolarHBondContact N-O 2.97Å; L244-L266 HydrophobicContact CD1-CD2 4.22Å; L244-L266 HydrophobicContact CD1-CG 3.98Å; L244-L266 HydrophobicContact CD2-CD1 3.98Å; L244-L266 HydrophobicContact CD2-CG 4.1Å; L244-L266 HydrophobicContact CG-CG 4.15Å; L244-F307 HydrophobicContact CD1-CD1 3.81Å; L244-F307 HydrophobicContact CD1-CE1 3.57Å
245	S	55.4	Low	47.5	Very low	91 Å²	91	83.9 Å²	83.9	64%	0.636	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.4	143.2	174.4	49.1	0	0	0	0	112
246	G	57.2	Low	47.8	Very low	49 Å²	49	77.8 Å²	77.8	51%	0.505	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	161.8	171.6	0	0	0	0	0	111.4	K262	G246-K262 CarbonylContact C-O 3.59Å; G246-K262 VanDerWaalsContact CA-O 3.25Å; G246-K262 WeakPolarHBondContact CA-O 3.43Å
247	G	54.3	Low	48.4	Very low	36 Å²	36	83 Å²	83	37%	0.371	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	162.5	173.9	0	0	0	0	0	112	K262	G247-K262 PolarHBondContact N-O 2.98Å; G247-K262 PolarHBondContact O-N 3.24Å
248	T	43.3	Very low	48.9	Very low	88 Å²	88	78.5 Å²	78.5	54%	0.54	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	121.4	169.9	61.7	0	0	0	0	108.8	L259 L261	T248-L259 HydrophobicContact CG2-CD1 4.49Å; T248-L259 HydrophobicContact CG2-CD2 4.22Å; T248-L261 HydrophobicContact CG2-CD2 3.74Å
249	I	51.9	Low	49.4	Very low	2 Å²	2	76.4 Å²	76.4	1%	0.01	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	124.6	175.4	-50	-179.8	0	0	0	107	L259 V260 K262 L612 E615	I249-L259 WeakPolarHBondContact O-CA 3.36Å; I249-V260 HydrophobicContact CB-CG2 3.9Å; I249-V260 PolarHBondContact N-O 3.15Å; I249-V260 PolarHBondContact O-N 3.47Å; I249-K262 HydrophobicContact CD1-CB 3.92Å; I249-K262 HydrophobicContact CD1-CD 3.9Å; I249-K262 HydrophobicContact CD1-CG 4.14Å; I249-K262 HydrophobicContact CG1-CB 4.01Å; I249-K262 HydrophobicContact CG1-CD 4.32Å; I249-L612 HydrophobicContact CD1-CD1 3.39Å; I249-L612 HydrophobicContact CG2-CD1 4.29Å; I249-E615 WeakPolarHBondContact CD1-OE2 3.05Å
250	K	40.2	Very low	50.1	Low	130 Å²	130	71.5 Å²	71.5	57%	0.565	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	119.6	171.5	-64.7	-176.9	-178	-177.6	0	108.9	N258 L259	K250-N258 WeakPolarHBondContact CA-O 3.41Å; K250-L259 HydrophobicContact CG-CD1 4.24Å; K250-L259 HydrophobicContact CG-CG 4.42Å
251	Y	43.7	Very low	50.6	Low	41 Å²	41	71.3 Å²	71.3	16%	0.161	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	161.8	173	68.4	-86.8	0	0	0	110.6	D253 Y257 N258 V260 P609	Y251-D253 HydrophobicContact CD2-CB 4.42Å; Y251-D253 HydrophobicContact CE2-CB 4.14Å; Y251-Y257 CarbonylContact O-C 3.6Å; Y251-Y257 WeakPolarHBondContact O-CA 3.29Å; Y251-N258 HydrophobicContact CD1-CB 4.21Å; Y251-N258 HydrophobicContact CD2-CB 4.28Å; Y251-N258 HydrophobicContact CE1-CB 3.66Å; Y251-N258 HydrophobicContact CE2-CB 3.75Å; Y251-N258 HydrophobicContact CG-CB 4.49Å; Y251-N258 PolarHBondContact N-O 2.92Å; Y251-N258 PolarHBondContact O-N 3.35Å; Y251-N258 PolarHBondContact OH-ND2 3.29Å; Y251-V260 HydrophobicContact CD1-CG2 4.13Å; Y251-V260 HydrophobicContact CE1-CB 4.48Å; Y251-V260 HydrophobicContact CE1-CG1 3.79Å; Y251-V260 HydrophobicContact CE1-CG2 4.02Å; Y251-P609 HydrophobicContact CD1-CG 4.36Å; Y251-P609 HydrophobicContact CD2-CB 3.77Å; Y251-P609 HydrophobicContact CD2-CG 3.59Å; Y251-P609 HydrophobicContact CE2-CG 3.98Å; Y251-P609 HydrophobicContact CG-CB 3.82Å; Y251-P609 HydrophobicContact CG-CG 3.8Å
252	L	28.3	Very low	51.3	Low	100 Å²	100	73.4 Å²	73.4	52%	0.524	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	130.4	174.9	-167.3	82.2	0	0	0	108	G256 Y257	L252-G256 WeakPolarHBondContact CA-O 3.49Å; L252-G256 WeakPolarHBondContact CD1-O 3.27Å; L252-Y257 HydrophobicContact CB-CD1 4.41Å; L252-Y257 HydrophobicContact CB-CE1 4.32Å; L252-Y257 HydrophobicContact CD1-CD1 3.81Å; L252-Y257 HydrophobicContact CD1-CD2 3.95Å; L252-Y257 HydrophobicContact CD1-CE1 3.76Å; L252-Y257 HydrophobicContact CD1-CE2 3.9Å; L252-Y257 HydrophobicContact CD1-CG 3.91Å
253	D	45.6	Very low	52.3	Low	55 Å²	55	73.4 Å²	73.4	29%	0.294	39%	0.392	S	S	.	.			trans	-119.2	-167.6	171.8	78.1	-15.8	0	0	0	110.9	Y251 H255 G256 N258	Y251-D253 HydrophobicContact CD2-CB 4.42Å; Y251-D253 HydrophobicContact CE2-CB 4.14Å; D253-H255 PolarHBondContact O-N 2.92Å; D253-H255 WeakPolarHBondContact OD1-CA 3.16Å; D253-H255 PolarHBondContact OD1-N 3.44Å; D253-H255 IonicContact OD2-CD2 3.74Å; D253-G256 PolarHBondContact N-O 2.9Å; D253-G256 PolarHBondContact OD1-N 3.29Å; D253-N258 PolarHBondContact OD2-ND2 2.96Å
254	D	39	Very low	52.8	Low	155 Å²	155	69.5 Å²	69.5	83%	0.829	38%	0.378	S	S	*	.	S	Bend	trans	-70.2	-7.7	177.1	-75.1	-15.3	0	0	0	113.5
255	H	42.1	Very low	53.8	Low	175 Å²	175	67.1 Å²	67.1	81%	0.81	37%	0.366	S	S	*	.	S	Bend	trans	-114.7	-26.4	-174.1	-62.8	-45.9	0	0	0	113.6	D253	D253-H255 PolarHBondContact O-N 2.92Å; D253-H255 WeakPolarHBondContact OD1-CA 3.16Å; D253-H255 PolarHBondContact OD1-N 3.44Å; D253-H255 IonicContact OD2-CD2 3.74Å
256	G	36.6	Very low	54.8	Low	28 Å²	28	63.4 Å²	63.4	29%	0.289	34%	0.339	S	S	.	.	S	Bend	trans	162	-147.6	173.5	0	0	0	0	0	113.9	L252 D253	L252-G256 WeakPolarHBondContact CA-O 3.49Å; L252-G256 WeakPolarHBondContact CD1-O 3.27Å; D253-G256 PolarHBondContact N-O 2.9Å; D253-G256 PolarHBondContact OD1-N 3.29Å
257	Y	41.9	Very low	55.6	Low	179 Å²	179	61.1 Å²	61.1	70%	0.702	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	102.3	170.8	-80.3	-73.5	0	0	0	109.9	Y251 L252	Y251-Y257 CarbonylContact O-C 3.6Å; Y251-Y257 WeakPolarHBondContact O-CA 3.29Å; L252-Y257 HydrophobicContact CB-CD1 4.41Å; L252-Y257 HydrophobicContact CB-CE1 4.32Å; L252-Y257 HydrophobicContact CD1-CD1 3.81Å; L252-Y257 HydrophobicContact CD1-CD2 3.95Å; L252-Y257 HydrophobicContact CD1-CE1 3.76Å; L252-Y257 HydrophobicContact CD1-CE2 3.9Å; L252-Y257 HydrophobicContact CD1-CG 3.91Å
258	N	45.7	Very low	56.5	Low	52 Å²	52	60.3 Å²	60.3	28%	0.278	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	151.2	170.7	-64.7	-12.8	0	0	0	110	K250 Y251 D253	K250-N258 WeakPolarHBondContact CA-O 3.41Å; Y251-N258 HydrophobicContact CD1-CB 4.21Å; Y251-N258 HydrophobicContact CD2-CB 4.28Å; Y251-N258 HydrophobicContact CE1-CB 3.66Å; Y251-N258 HydrophobicContact CE2-CB 3.75Å; Y251-N258 HydrophobicContact CG-CB 4.49Å; Y251-N258 PolarHBondContact N-O 2.92Å; Y251-N258 PolarHBondContact O-N 3.35Å; Y251-N258 PolarHBondContact OH-ND2 3.29Å; D253-N258 PolarHBondContact OD2-ND2 2.96Å
259	L	53.6	Low	57.9	Low	73 Å²	73	57.8 Å²	57.8	38%	0.382	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	125.4	176.8	-177.4	154.1	0	0	0	108.2	T248 I249 K250 L261	T248-L259 HydrophobicContact CG2-CD1 4.49Å; T248-L259 HydrophobicContact CG2-CD2 4.22Å; I249-L259 WeakPolarHBondContact O-CA 3.36Å; K250-L259 HydrophobicContact CG-CD1 4.24Å; K250-L259 HydrophobicContact CG-CG 4.42Å; L259-L261 HydrophobicContact CD2-CD2 3.69Å
260	V	65.2	Low	58.9	Low	10 Å²	10	64.7 Å²	64.7	6%	0.061	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	145.2	168.7	-73.8	0	0	0	0	109.8	I249 Y251 V311 T312 D313	I249-V260 HydrophobicContact CB-CG2 3.9Å; I249-V260 PolarHBondContact N-O 3.15Å; I249-V260 PolarHBondContact O-N 3.47Å; Y251-V260 HydrophobicContact CD1-CG2 4.13Å; Y251-V260 HydrophobicContact CE1-CB 4.48Å; Y251-V260 HydrophobicContact CE1-CG1 3.79Å; Y251-V260 HydrophobicContact CE1-CG2 4.02Å; V260-V311 HydrophobicContact CB-CG1 3.82Å; V260-V311 HydrophobicContact CG1-CG1 4.46Å; V260-V311 HydrophobicContact CG2-CG1 3.63Å; V260-T312 CarbonylContact C-O 3.53Å; V260-T312 VanDerWaalsContact CA-O 3.23Å; V260-T312 WeakPolarHBondContact CA-O 3.46Å; V260-T312 VanDerWaalsContact CB-O 3.22Å; V260-T312 WeakPolarHBondContact CB-O 3.3Å; V260-D313 WeakPolarHBondContact CG1-OD1 3.33Å
261	L	68.6	Low	60.8	Low	33 Å²	33	59.7 Å²	59.7	17%	0.173	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	140.9	171.7	-52.7	-172.2	0	0	0	109	T248 L259 V311 T312 E315 Q318	T248-L261 HydrophobicContact CG2-CD2 3.74Å; L259-L261 HydrophobicContact CD2-CD2 3.69Å; L261-V311 VanDerWaalsContact O-CA 3.31Å; L261-V311 WeakPolarHBondContact O-CA 3.25Å; L261-T312 PolarHBondContact N-O 2.84Å; L261-T312 PolarHBondContact O-N 3.05Å; L261-E315 HydrophobicContact CD1-CB 3.76Å; L261-E315 VanDerWaalsContact CD1-N 3.28Å; L261-Q318 PolarHBondContact O-NE2 3.2Å
262	K	78.1	Confident	62.5	Low	45 Å²	45	58 Å²	58	20%	0.196	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	128.3	176.1	-175.8	-161.6	-156.6	164.5	0	108.7	G246 G247 I249 T309 V310 V311 E615	G246-K262 CarbonylContact C-O 3.59Å; G246-K262 VanDerWaalsContact CA-O 3.25Å; G246-K262 WeakPolarHBondContact CA-O 3.43Å; G247-K262 PolarHBondContact N-O 2.98Å; G247-K262 PolarHBondContact O-N 3.24Å; I249-K262 HydrophobicContact CD1-CB 3.92Å; I249-K262 HydrophobicContact CD1-CD 3.9Å; I249-K262 HydrophobicContact CD1-CG 4.14Å; I249-K262 HydrophobicContact CG1-CB 4.01Å; I249-K262 HydrophobicContact CG1-CD 4.32Å; K262-T309 HydrophobicContact CD-CG2 4.32Å; K262-T309 HydrophobicContact CG-CG2 3.65Å; K262-V310 WeakPolarHBondContact CA-O 3.17Å; K262-V311 HydrophobicContact CG-CG2 4.32Å; K262-E615 IonicContact NZ-OE2 2.87Å; K262-E615 PolarHBondContact NZ-OE2 2.93Å
263	K	80.1	Confident	64.7	Low	46 Å²	46	55.7 Å²	55.7	20%	0.2	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	121.2	169.3	-168.1	68.5	158.9	172.6	0	109.3	L244 L265 T309 V310 Q318 I322	L244-K263 VanDerWaalsContact O-CE 3.22Å; L244-K263 WeakPolarHBondContact O-CE 3.21Å; L244-K263 PolarHBondContact O-NZ 3.43Å; K263-L265 HydrophobicContact CG-CD2 4.04Å; K263-T309 WeakPolarHBondContact O-CA 3.41Å; K263-V310 PolarHBondContact N-O 2.75Å; K263-V310 PolarHBondContact O-N 2.59Å; K263-Q318 HydrophobicContact CB-CG 4.04Å; K263-I322 HydrophobicContact CB-CD1 4.23Å; K263-I322 HydrophobicContact CG-CD1 3.82Å
264	S	78	Confident	66.4	Low	22 Å²	22	54.7 Å²	54.7	15%	0.154	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	148.5	169.1	-61.9	0	0	0	0	109.9	L244 V308 T309	L244-S264 WeakPolarHBondContact CA-O 3.42Å; L244-S264 VanDerWaalsContact CB-O 3.28Å; L244-S264 WeakPolarHBondContact CB-O 3.46Å; L244-S264 PolarHBondContact N-O 2.97Å; S264-V308 CarbonylContact C-O 3.45Å; S264-T309 PolarHBondContact OG-OG1 3Å
265	L	80.8	Confident	68.6	Low	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	150.1	-174.8	-53.4	172	0	0	0	107.9	I241 H242 K243 K263 F307 V308 V310 I322 L325	I241-L265 HydrophobicContact CG2-CB 3.7Å; I241-L265 HydrophobicContact CG2-CD1 4.02Å; I241-L265 HydrophobicContact CG2-CD2 3.94Å; I241-L265 HydrophobicContact CG2-CG 4.1Å; H242-L265 CarbonylContact O-C 3.41Å; H242-L265 WeakPolarHBondContact O-CA 3.3Å; K243-L265 HydrophobicContact CB-CD2 4.34Å; K243-L265 HydrophobicContact CG-CD2 4.08Å; K263-L265 HydrophobicContact CG-CD2 4.04Å; L265-F307 CarbonylContact O-C 3.58Å; L265-F307 WeakPolarHBondContact O-CA 3.04Å; L265-V308 HydrophobicContact CB-CB 4.34Å; L265-V308 WeakPolarHBondContact CB-O 3.37Å; L265-V308 PolarHBondContact N-O 3.42Å; L265-V308 PolarHBondContact O-N 2.91Å; L265-V310 HydrophobicContact CD1-CG2 4.04Å; L265-I322 HydrophobicContact CD1-CG1 4.26Å; L265-I322 HydrophobicContact CD2-CD1 4.5Å; L265-I322 HydrophobicContact CD2-CG1 4.35Å; L265-L325 HydrophobicContact CD1-CD1 3.69Å
266	L	76.5	Confident	70.5	Confident	13 Å²	13	41.5 Å²	41.5	7%	0.068	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	126	165.2	-65.3	175	0	0	0	109.8	I241 H242 L244 W299 W305 F307	I241-L266 VanDerWaalsContact CA-O 3.29Å; I241-L266 WeakPolarHBondContact CA-O 3.31Å; H242-L266 HydrophobicContact CB-CB 4.3Å; H242-L266 PolarHBondContact N-O 3.35Å; H242-L266 PolarHBondContact O-N 2.92Å; L244-L266 HydrophobicContact CD1-CD2 4.22Å; L244-L266 HydrophobicContact CD1-CG 3.98Å; L244-L266 HydrophobicContact CD2-CD1 3.98Å; L244-L266 HydrophobicContact CD2-CG 4.1Å; L244-L266 HydrophobicContact CG-CG 4.15Å; L266-W299 HydrophobicContact CD1-CE3 4.22Å; L266-W299 HydrophobicContact CD1-CZ3 4.02Å; L266-W299 HydrophobicContact CD2-CD2 4.37Å; L266-W299 HydrophobicContact CD2-CE3 3.44Å; L266-W299 VanDerWaalsContact CD2-CE3 3.44Å; L266-W299 HydrophobicContact CD2-CZ3 3.84Å; L266-W299 HydrophobicContact CG-CE3 4.45Å; L266-W299 HydrophobicContact CG-CZ3 4.47Å; L266-W305 HydrophobicContact CB-CE3 3.86Å; L266-W305 HydrophobicContact CB-CZ3 4.18Å; L266-F307 HydrophobicContact CD2-CD1 3.93Å; L266-F307 HydrophobicContact CD2-CE1 4.19Å; L266-F307 HydrophobicContact CD2-CG 4.25Å
267	V	74.2	Confident	72.2	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	138.9	178	179.6	0	0	0	0	108.1	I241 A269 H271 L275 W305 C306 V308 L329	I241-V267 HydrophobicContact CD1-CG2 4.29Å; I241-V267 HydrophobicContact CG1-CG2 4.12Å; I241-V267 HydrophobicContact CG2-CG2 4.25Å; V267-A269 PolarHBondContact O-N 2.77Å; V267-H271 HydrophobicContact CG1-CB 3.99Å; V267-L275 HydrophobicContact CG1-CD1 4.05Å; V267-L275 HydrophobicContact CG2-CD1 4.44Å; V267-W305 VanDerWaalsContact C-CE3 3.45Å; V267-C306 PolarHBondContact N-O 2.85Å; V267-C306 PolarHBondContact O-N 3.45Å; V267-V308 HydrophobicContact CB-CG2 4.03Å; V267-V308 HydrophobicContact CG2-CB 4.28Å; V267-V308 HydrophobicContact CG2-CG2 3.59Å; V267-L329 HydrophobicContact CG1-CD1 3.59Å; V267-L329 HydrophobicContact CG2-CD1 4.45Å
268	P	72.5	Confident	73.5	Confident	20 Å²	20	39.9 Å²	39.9	13%	0.13	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	133.9	174.1	-26.4	35.8	0	0	0	111.2	P240 M270 H271 L304 W305	P240-P268 WeakPolarHBondContact O-CD 3.28Å; P268-M270 HydrophobicContact CB-CG 3.81Å; P268-M270 HydrophobicContact CB-SD 4.42Å; P268-M270 PolarHBondContact O-N 3.26Å; P268-H271 WeakPolarHBondContact O-CB 3.25Å; P268-H271 PolarHBondContact O-N 3.04Å; P268-L304 CarbonylContact C-O 3.54Å; P268-L304 VanDerWaalsContact CA-O 3.24Å; P268-L304 WeakPolarHBondContact CA-O 3.2Å; P268-W305 VanDerWaalsContact CD-CZ3 3.49Å; P268-W305 HydrophobicContact CG-CE3 4.24Å; P268-W305 HydrophobicContact CG-CH2 3.9Å; P268-W305 HydrophobicContact CG-CZ3 3.71Å
269	A	72.4	Confident	74.6	Confident	34 Å²	34	47.5 Å²	47.5	28%	0.281	24%	0.244	S	C	.	.	H	α-helix	trans	-58	-35.7	-175.2	0	0	0	0	0	112.2	V267 H271 C272 E303 L304	V267-A269 PolarHBondContact O-N 2.77Å; A269-H271 PolarHBondContact O-N 2.74Å; A269-H271 VanDerWaalsContact O-N 3.1Å; A269-C272 WeakPolarHBondContact O-CB 3.32Å; A269-C272 PolarHBondContact O-N 3.38Å; A269-C272 VanDerWaalsContact O-N 3.08Å; A269-E303 WeakPolarHBondContact CB-O 3.2Å; A269-L304 PolarHBondContact N-O 2.85Å
270	M	74.6	Confident	75.4	Confident	147 Å²	147	44.5 Å²	44.5	72%	0.724	23%	0.23	S	C	*	.	H	α-helix	trans	-56.3	-20.6	172.4	63.5	-173.8	-69.8	0	0	114.8	P268	P268-M270 HydrophobicContact CB-CG 3.81Å; P268-M270 HydrophobicContact CB-SD 4.42Å; P268-M270 PolarHBondContact O-N 3.26Å
271	H	79.2	Confident	75.8	Confident	25 Å²	25	44.7 Å²	44.7	12%	0.116	23%	0.232	C	C	.	.	H	α-helix	trans	-97.6	-15	179	-69.5	-24.2	0	0	0	113.6	V267 P268 A269 G273 I274 L275 L329	V267-H271 HydrophobicContact CG1-CB 3.99Å; P268-H271 WeakPolarHBondContact O-CB 3.25Å; P268-H271 PolarHBondContact O-N 3.04Å; A269-H271 PolarHBondContact O-N 2.74Å; A269-H271 VanDerWaalsContact O-N 3.1Å; H271-G273 PolarHBondContact O-N 3.12Å; H271-I274 WeakPolarHBondContact O-CB 3.22Å; H271-I274 PolarHBondContact O-N 3.02Å; H271-L275 PolarHBondContact O-N 2.93Å; H271-L329 HydrophobicContact CB-CD1 4.46Å; H271-L329 HydrophobicContact CB-CD2 3.74Å
272	C	79.9	Confident	76.4	Confident	7 Å²	7	43.1 Å²	43.1	5%	0.047	22%	0.224	C	C	.	.	H	α-helix	trans	-66.3	-25	-177.7	-63.5	0	0	0	0	112.8	A269 I274 L275 M276 F296 C306	A269-C272 WeakPolarHBondContact O-CB 3.32Å; A269-C272 PolarHBondContact O-N 3.38Å; A269-C272 VanDerWaalsContact O-N 3.08Å; C272-I274 VanDerWaalsContact C-N 3.3Å; C272-I274 PolarHBondContact O-N 2.72Å; C272-L275 PolarHBondContact O-N 2.89Å; C272-M276 HydrophobicContact CB-CE 4.14Å; C272-M276 WeakPolarHBondContact O-CB 3.38Å; C272-M276 WeakPolarHBondContact O-CE 3.47Å; C272-M276 WeakPolarHBondContact O-CG 3.41Å; C272-M276 PolarHBondContact O-N 3.18Å; C272-F296 HydrophobicContact CB-CD1 4.37Å; C272-F296 HydrophobicContact CB-CE1 4.23Å; C272-C306 WeakPolarHBondContact SG-CB 3.25Å
273	G	75.2	Confident	76.7	Confident	50 Å²	50	41.2 Å²	41.2	52%	0.515	22%	0.216	S	C	.	.	H	α-helix	trans	-61.6	-33.9	171.7	0	0	0	0	0	113.8	H271 G277	H271-G273 PolarHBondContact O-N 3.12Å; G273-G277 PolarHBondContact O-N 3.32Å
274	I	79.8	Confident	76.4	Confident	34 Å²	34	40 Å²	40	17%	0.174	21%	0.21	C	C	.	.	H	α-helix	trans	-70	-47.6	176.3	-56.1	175.4	0	0	0	109.6	H271 C272 G277 T282 R332 I333	H271-I274 WeakPolarHBondContact O-CB 3.22Å; H271-I274 PolarHBondContact O-N 3.02Å; C272-I274 VanDerWaalsContact C-N 3.3Å; C272-I274 PolarHBondContact O-N 2.72Å; I274-G277 PolarHBondContact O-N 3.01Å; I274-T282 WeakPolarHBondContact O-CG2 3.38Å; I274-R332 HydrophobicContact CD1-CB 4.03Å; I274-R332 HydrophobicContact CD1-CG 4.09Å; I274-I333 WeakPolarHBondContact CG2-O 3.22Å
275	L	85.7	Confident	76.6	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-68	-36.5	-177.6	-60.3	-179.5	0	0	0	113.1	V267 H271 C272 T282 L283 F296 V308 L325 L328 L329	V267-L275 HydrophobicContact CG1-CD1 4.05Å; V267-L275 HydrophobicContact CG2-CD1 4.44Å; H271-L275 PolarHBondContact O-N 2.93Å; C272-L275 PolarHBondContact O-N 2.89Å; L275-T282 CarbonylContact O-C 3.53Å; L275-L283 PolarHBondContact O-N 2.99Å; L275-L283 VanDerWaalsContact O-N 3.16Å; L275-F296 HydrophobicContact CB-CE1 4.19Å; L275-F296 HydrophobicContact CB-CZ 3.86Å; L275-F296 HydrophobicContact CD1-CE1 4.31Å; L275-V308 HydrophobicContact CD1-CG2 4.49Å; L275-L325 HydrophobicContact CD1-CD2 3.97Å; L275-L325 HydrophobicContact CD2-CD2 3.62Å; L275-L325 HydrophobicContact CG-CD2 4.28Å; L275-L328 HydrophobicContact CD2-CB 4.34Å; L275-L329 HydrophobicContact CD1-CD1 4.4Å; L275-L329 HydrophobicContact CD1-CD2 4.06Å; L275-L329 HydrophobicContact CD1-CG 4.45Å; L275-L329 HydrophobicContact CD2-CD2 3.62Å; L275-L329 HydrophobicContact CD2-CG 4.06Å; L275-L329 HydrophobicContact CG-CD2 3.72Å; L275-L329 HydrophobicContact CG-CG 4.45Å
276	M	82	Confident	76.9	Confident	54 Å²	54	39 Å²	39	27%	0.266	20%	0.203	S	C	.	.	H	α-helix	trans	-72.3	-48.1	172.9	-70.1	-174.1	-73.2	0	0	111.2	C272 G280 S281 T282 L283 F296	C272-M276 HydrophobicContact CB-CE 4.14Å; C272-M276 WeakPolarHBondContact O-CB 3.38Å; C272-M276 WeakPolarHBondContact O-CE 3.47Å; C272-M276 WeakPolarHBondContact O-CG 3.41Å; C272-M276 PolarHBondContact O-N 3.18Å; M276-G280 CarbonylContact O-C 3.59Å; M276-G280 WeakPolarHBondContact O-CA 3.26Å; M276-S281 PolarHBondContact O-N 2.99Å; M276-T282 PolarHBondContact O-N 2.93Å; M276-L283 PolarHBondContact O-N 2.93Å; M276-F296 HydrophobicContact CG-CD2 4.36Å; M276-F296 HydrophobicContact CG-CE1 4.36Å; M276-F296 HydrophobicContact CG-CE2 4.02Å; M276-F296 HydrophobicContact CG-CZ 4.03Å
277	G	73.3	Confident	77.3	Confident	15 Å²	15	39.3 Å²	39.3	16%	0.155	20%	0.204	C	C	.	.			trans	69.7	175.5	-171.6	0	0	0	0	0	113.3	G273 I274 R279 G280	G273-G277 PolarHBondContact O-N 3.32Å; I274-G277 PolarHBondContact O-N 3.01Å; G277-R279 PolarHBondContact O-N 3Å; G277-R279 VanDerWaalsContact O-N 3.1Å; G277-G280 PolarHBondContact O-N 3.01Å; G277-G280 VanDerWaalsContact O-N 3.09Å
278	K	69.2	Low	77.6	Confident	157 Å²	157	41.1 Å²	41.1	68%	0.683	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-58	117.9	179.1	-71.5	-176.2	177.5	-179.3	0	109.6	G280 S281	K278-G280 PolarHBondContact O-N 3.4Å; K278-S281 WeakPolarHBondContact O-CB 3.19Å; K278-S281 PolarHBondContact O-N 3.09Å; K278-S281 PolarHBondContact O-OG 2.69Å; K278-S281 VanDerWaalsContact O-OG 3.05Å
279	R	67.6	Low	78.1	Confident	213 Å²	213	40.3 Å²	40.3	80%	0.804	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	60.5	14.8	-176.4	-53.4	179.1	179.2	169.1	0.5	116	G277 R284	G277-R279 PolarHBondContact O-N 3Å; G277-R279 VanDerWaalsContact O-N 3.1Å; R279-R284 PolarHBondContact O-NH2 3.32Å
280	G	70.3	Confident	78.7	Confident	9 Å²	9	38.9 Å²	38.9	9%	0.093	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	86.1	19.9	-174.4	0	0	0	0	0	114.2	M276 G277 K278 R284	M276-G280 CarbonylContact O-C 3.59Å; M276-G280 WeakPolarHBondContact O-CA 3.26Å; G277-G280 PolarHBondContact O-N 3.01Å; G277-G280 VanDerWaalsContact O-N 3.09Å; K278-G280 PolarHBondContact O-N 3.4Å; G280-R284 WeakPolarHBondContact O-CG 3.4Å; G280-R284 PolarHBondContact O-N 3.34Å; G280-R284 VanDerWaalsContact O-N 3.17Å; G280-R284 PolarHBondContact O-NE 3.23Å
281	S	72.9	Confident	79	Confident	14 Å²	14	34.3 Å²	34.3	10%	0.098	18%	0.178	C	C	.	.	H	α-helix	trans	-67	-49.5	179.6	56.9	0	0	0	0	112.5	M276 K278 L283 R284 M285	M276-S281 PolarHBondContact O-N 2.99Å; K278-S281 WeakPolarHBondContact O-CB 3.19Å; K278-S281 PolarHBondContact O-N 3.09Å; K278-S281 PolarHBondContact O-OG 2.69Å; K278-S281 VanDerWaalsContact O-OG 3.05Å; S281-L283 PolarHBondContact O-N 3.45Å; S281-R284 PolarHBondContact O-N 3.23Å; S281-M285 VanDerWaalsContact O-CG 3.32Å; S281-M285 WeakPolarHBondContact O-CG 3.42Å; S281-M285 PolarHBondContact O-N 3.25Å
282	T	82.6	Confident	79.1	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.8	-35.1	176.5	-55.2	0	0	0	0	111.4	I274 L275 M276 M285 I286 L328 S334 L335	I274-T282 WeakPolarHBondContact O-CG2 3.38Å; L275-T282 CarbonylContact O-C 3.53Å; M276-T282 PolarHBondContact O-N 2.93Å; T282-M285 WeakPolarHBondContact O-CB 3.47Å; T282-M285 PolarHBondContact O-N 3.13Å; T282-I286 HydrophobicContact CG2-CD1 4.09Å; T282-I286 WeakPolarHBondContact O-CD1 3.47Å; T282-I286 VanDerWaalsContact O-CG1 3.26Å; T282-I286 WeakPolarHBondContact O-CG1 3.4Å; T282-I286 PolarHBondContact O-N 2.74Å; T282-L328 HydrophobicContact CG2-CD1 4.48Å; T282-S334 PolarHBondContact OG1-OG 3.46Å; T282-S334 VanDerWaalsContact OG1-OG 3.08Å; T282-L335 VanDerWaalsContact CA-O 3.31Å; T282-L335 WeakPolarHBondContact CA-O 3.49Å; T282-L335 WeakPolarHBondContact CB-O 3.45Å; T282-L335 HydrophobicContact CG2-CB 4.29Å; T282-L335 PolarHBondContact OG1-O 2.89Å
283	L	84.1	Confident	79	Confident	6 Å²	6	36 Å²	36	3%	0.031	19%	0.188	C	C	.	.	H	α-helix	trans	-61.1	-54	173.9	-179.3	55.8	0	0	0	112.4	L275 M276 S281 M285 I286 E287 L294 F296 A576	L275-L283 PolarHBondContact O-N 2.99Å; L275-L283 VanDerWaalsContact O-N 3.16Å; M276-L283 PolarHBondContact O-N 2.93Å; S281-L283 PolarHBondContact O-N 3.45Å; L283-M285 PolarHBondContact O-N 2.78Å; L283-I286 WeakPolarHBondContact O-CB 3.4Å; L283-I286 PolarHBondContact O-N 2.78Å; L283-I286 VanDerWaalsContact O-N 3.13Å; L283-E287 HydrophobicContact CD1-CG 4.45Å; L283-E287 WeakPolarHBondContact O-CG 3.49Å; L283-E287 PolarHBondContact O-N 3Å; L283-L294 HydrophobicContact CD1-CB 3.47Å; L283-L294 VanDerWaalsContact CD1-CB 3.47Å; L283-L294 HydrophobicContact CD1-CD2 4.05Å; L283-L294 HydrophobicContact CD1-CG 4.27Å; L283-F296 HydrophobicContact CD1-CE2 3.66Å; L283-F296 HydrophobicContact CD1-CZ 4.39Å; L283-F296 HydrophobicContact CD2-CD2 4.29Å; L283-F296 HydrophobicContact CD2-CE2 3.87Å; L283-F296 HydrophobicContact CG-CE2 4.35Å; L283-A576 HydrophobicContact CD2-CB 3.9Å
284	R	74.7	Confident	79.3	Confident	21 Å²	21	33.9 Å²	33.9	8%	0.079	17%	0.165	C	C	.	.	H	α-helix	trans	-61.3	-35	178.7	-70.9	175.5	-124.9	156.8	5.4	112	R279 G280 S281 E287 L288 I550 I551 W577	R279-R284 PolarHBondContact O-NH2 3.32Å; G280-R284 WeakPolarHBondContact O-CG 3.4Å; G280-R284 PolarHBondContact O-N 3.34Å; G280-R284 VanDerWaalsContact O-N 3.17Å; G280-R284 PolarHBondContact O-NE 3.23Å; S281-R284 PolarHBondContact O-N 3.23Å; R284-E287 PolarHBondContact O-N 3.42Å; R284-L288 VanDerWaalsContact O-CB 3.28Å; R284-L288 WeakPolarHBondContact O-CB 3.37Å; R284-L288 PolarHBondContact O-N 3.17Å; R284-I550 PolarHBondContact NH1-O 3.05Å; R284-I551 PolarHBondContact NH1-O 3.05Å; R284-W577 VanDerWaalsContact CZ-CZ2 3.43Å
285	M	81.3	Confident	79.1	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61.6	-47.5	173.3	-75.5	-63.5	-54.9	0	0	112.1	S281 T282 L283 L288 I289 Y337 I340 A540 I551	S281-M285 VanDerWaalsContact O-CG 3.32Å; S281-M285 WeakPolarHBondContact O-CG 3.42Å; S281-M285 PolarHBondContact O-N 3.25Å; T282-M285 WeakPolarHBondContact O-CB 3.47Å; T282-M285 PolarHBondContact O-N 3.13Å; L283-M285 PolarHBondContact O-N 2.78Å; M285-L288 PolarHBondContact O-N 3.14Å; M285-I289 HydrophobicContact CE-CG2 4.36Å; M285-I289 VanDerWaalsContact O-CG1 3.31Å; M285-I289 WeakPolarHBondContact O-CG1 3.12Å; M285-I289 PolarHBondContact O-N 2.88Å; M285-Y337 HydrophobicContact SD-CD2 3.79Å; M285-Y337 HydrophobicContact SD-CG 4.28Å; M285-I340 HydrophobicContact CE-CD1 3.41Å; M285-I340 VanDerWaalsContact CE-CD1 3.41Å; M285-A540 HydrophobicContact CE-CB 3.48Å; M285-A540 VanDerWaalsContact CE-CB 3.48Å; M285-A540 HydrophobicContact SD-CB 4.27Å; M285-I551 HydrophobicContact SD-CG2 4.23Å
286	I	86.9	Confident	78.5	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-58.8	-50	175	-67.9	158.1	0	0	0	110.2	T282 L283 L288 T290 L294 L324 L325 L328	T282-I286 HydrophobicContact CG2-CD1 4.09Å; T282-I286 WeakPolarHBondContact O-CD1 3.47Å; T282-I286 VanDerWaalsContact O-CG1 3.26Å; T282-I286 WeakPolarHBondContact O-CG1 3.4Å; T282-I286 PolarHBondContact O-N 2.74Å; L283-I286 WeakPolarHBondContact O-CB 3.4Å; L283-I286 PolarHBondContact O-N 2.78Å; L283-I286 VanDerWaalsContact O-N 3.13Å; I286-L288 PolarHBondContact O-N 2.98Å; I286-T290 WeakPolarHBondContact O-CB 3.39Å; I286-T290 WeakPolarHBondContact O-CG2 3.31Å; I286-T290 PolarHBondContact O-N 3.16Å; I286-T290 VanDerWaalsContact O-N 3.11Å; I286-T290 PolarHBondContact O-OG1 3.35Å; I286-L294 HydrophobicContact CG2-CD1 3.79Å; I286-L294 HydrophobicContact CG2-CD2 3.92Å; I286-L324 HydrophobicContact CB-CD2 4.32Å; I286-L324 HydrophobicContact CG1-CD2 4.01Å; I286-L324 HydrophobicContact CG2-CD2 4.15Å; I286-L325 HydrophobicContact CD1-CD2 4.06Å; I286-L328 HydrophobicContact CD1-CD1 3.76Å; I286-L328 HydrophobicContact CG1-CD1 3.83Å
287	E	84.2	Confident	77.7	Confident	19 Å²	19	33.1 Å²	33.1	9%	0.089	17%	0.165	C	C	.	.	H	α-helix	trans	-56.6	-47.5	178.8	-70.3	-174	130.2	0	0	111.7	L283 R284 S291 S292 I293 L294	L283-E287 HydrophobicContact CD1-CG 4.45Å; L283-E287 WeakPolarHBondContact O-CG 3.49Å; L283-E287 PolarHBondContact O-N 3Å; R284-E287 PolarHBondContact O-N 3.42Å; E287-S291 VanDerWaalsContact O-CA 3.23Å; E287-S291 WeakPolarHBondContact O-CA 3.47Å; E287-S291 PolarHBondContact O-N 2.76Å; E287-S292 VanDerWaalsContact CA-O 3.3Å; E287-S292 WeakPolarHBondContact CA-O 3.37Å; E287-S292 WeakPolarHBondContact CB-O 3.36Å; E287-S292 WeakPolarHBondContact CG-O 3.39Å; E287-S292 PolarHBondContact O-N 2.93Å; E287-S292 VanDerWaalsContact O-N 3.12Å; E287-I293 WeakPolarHBondContact OE1-CA 3.5Å; E287-L294 HydrophobicContact CG-CB 4.33Å; E287-L294 HydrophobicContact CG-CD1 3.74Å; E287-L294 PolarHBondContact OE1-N 2.91Å
288	L	80.7	Confident	77	Confident	39 Å²	39	35.8 Å²	35.8	20%	0.204	17%	0.173	C	C	.	.	H	α-helix	trans	-61.3	-55.3	179.7	177	64.5	0	0	0	112.9	R284 M285 I286 T290 S291 K539 I551	R284-L288 VanDerWaalsContact O-CB 3.28Å; R284-L288 WeakPolarHBondContact O-CB 3.37Å; R284-L288 PolarHBondContact O-N 3.17Å; M285-L288 PolarHBondContact O-N 3.14Å; I286-L288 PolarHBondContact O-N 2.98Å; L288-T290 VanDerWaalsContact C-N 3.34Å; L288-T290 PolarHBondContact O-N 3.2Å; L288-S291 PolarHBondContact O-N 3.08Å; L288-K539 HydrophobicContact CD1-CB 4.46Å; L288-K539 HydrophobicContact CD1-CD 4.03Å; L288-K539 HydrophobicContact CD2-CB 4.49Å; L288-K539 HydrophobicContact CG-CB 4.26Å; L288-K539 HydrophobicContact CG-CD 4.24Å; L288-K539 WeakPolarHBondContact O-CD 3.23Å; L288-K539 PolarHBondContact O-NZ 3.31Å; L288-I551 HydrophobicContact CD2-CD1 3.9Å
289	I	83.8	Confident	76.3	Confident	2 Å²	2	32.6 Å²	32.6	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-77.7	-20.3	-170.3	72.8	-175.1	0	0	0	112.9	M285 L324 L335 V535 R536 A540	M285-I289 HydrophobicContact CE-CG2 4.36Å; M285-I289 VanDerWaalsContact O-CG1 3.31Å; M285-I289 WeakPolarHBondContact O-CG1 3.12Å; M285-I289 PolarHBondContact O-N 2.88Å; I289-L324 HydrophobicContact CD1-CD2 3.8Å; I289-L324 HydrophobicContact CG1-CD2 3.95Å; I289-L335 HydrophobicContact CD1-CD1 4.17Å; I289-V535 HydrophobicContact CB-CG1 4.47Å; I289-V535 HydrophobicContact CD1-CG1 3.8Å; I289-V535 HydrophobicContact CG1-CG1 3.86Å; I289-R536 WeakPolarHBondContact CG2-O 3.33Å; I289-R536 PolarHBondContact O-N 2.96Å; I289-A540 HydrophobicContact CG2-CB 4.45Å
290	T	84.9	Confident	75.4	Confident	4 Å²	4	25.2 Å²	25.2	3%	0.025	13%	0.134	C	C	.	.	H	α-helix	trans	-99.9	-12.4	174.9	65.9	0	0	0	0	113.4	I286 L288 S292 A321 L324	I286-T290 WeakPolarHBondContact O-CB 3.39Å; I286-T290 WeakPolarHBondContact O-CG2 3.31Å; I286-T290 PolarHBondContact O-N 3.16Å; I286-T290 VanDerWaalsContact O-N 3.11Å; I286-T290 PolarHBondContact O-OG1 3.35Å; L288-T290 VanDerWaalsContact C-N 3.34Å; L288-T290 PolarHBondContact O-N 3.2Å; T290-S292 WeakPolarHBondContact OG1-CB 3.43Å; T290-S292 PolarHBondContact OG1-OG 2.99Å; T290-A321 HydrophobicContact CG2-CB 4.39Å; T290-L324 HydrophobicContact CG2-CB 4.39Å; T290-L324 HydrophobicContact CG2-CD2 3.58Å
291	S	80.8	Confident	74.2	Confident	51 Å²	51	29.1 Å²	29.1	36%	0.357	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	48.8	-172.7	-38.6	0	0	0	0	111.7	E287 L288 K539	E287-S291 VanDerWaalsContact O-CA 3.23Å; E287-S291 WeakPolarHBondContact O-CA 3.47Å; E287-S291 PolarHBondContact O-N 2.76Å; L288-S291 PolarHBondContact O-N 3.08Å; S291-K539 PolarHBondContact OG-NZ 2.94Å
292	S	81.3	Confident	72.8	Confident	8 Å²	8	29.8 Å²	29.8	6%	0.056	16%	0.159	C	C	.	.			trans	-128	167.5	-179.1	70.3	0	0	0	0	111.5	E287 T290 L294	E287-S292 VanDerWaalsContact CA-O 3.3Å; E287-S292 WeakPolarHBondContact CA-O 3.37Å; E287-S292 WeakPolarHBondContact CB-O 3.36Å; E287-S292 WeakPolarHBondContact CG-O 3.39Å; E287-S292 PolarHBondContact O-N 2.93Å; E287-S292 VanDerWaalsContact O-N 3.12Å; T290-S292 WeakPolarHBondContact OG1-CB 3.43Å; T290-S292 PolarHBondContact OG1-OG 2.99Å; S292-L294 WeakPolarHBondContact OG-CD1 3.28Å
293	I	78.7	Confident	71.4	Confident	59 Å²	59	37.8 Å²	37.8	30%	0.303	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	130.5	175.8	-52	175.3	0	0	0	108.3	E287 V310 V311 T573	E287-I293 WeakPolarHBondContact OE1-CA 3.5Å; I293-V310 CarbonylContact O-C 3.54Å; I293-V310 WeakPolarHBondContact O-CA 3.29Å; I293-V311 HydrophobicContact CB-CB 4.34Å; I293-V311 PolarHBondContact N-O 3.18Å; I293-V311 PolarHBondContact O-N 2.88Å; I293-T573 HydrophobicContact CB-CG2 4.46Å; I293-T573 HydrophobicContact CD1-CG2 3.81Å; I293-T573 HydrophobicContact CG1-CG2 3.94Å; I293-T573 HydrophobicContact CG2-CG2 3.75Å
294	L	80.7	Confident	70.3	Confident	7 Å²	7	43.8 Å²	43.8	4%	0.037	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	123.8	-175.7	-80.1	88	0	0	0	111.9	L283 I286 E287 S292 V308 T309 V310 L325	L283-L294 HydrophobicContact CD1-CB 3.47Å; L283-L294 VanDerWaalsContact CD1-CB 3.47Å; L283-L294 HydrophobicContact CD1-CD2 4.05Å; L283-L294 HydrophobicContact CD1-CG 4.27Å; I286-L294 HydrophobicContact CG2-CD1 3.79Å; I286-L294 HydrophobicContact CG2-CD2 3.92Å; E287-L294 HydrophobicContact CG-CB 4.33Å; E287-L294 HydrophobicContact CG-CD1 3.74Å; E287-L294 PolarHBondContact OE1-N 2.91Å; S292-L294 WeakPolarHBondContact OG-CD1 3.28Å; L294-V308 HydrophobicContact CD2-CG1 4.18Å; L294-T309 WeakPolarHBondContact CA-O 3.45Å; L294-V310 HydrophobicContact CG-CG2 4.33Å; L294-L325 HydrophobicContact CD2-CD1 3.98Å; L294-L325 HydrophobicContact CD2-CD2 3.91Å; L294-L325 HydrophobicContact CD2-CG 4.31Å
295	T	75.1	Confident	69.8	Low	33 Å²	33	45.5 Å²	45.5	20%	0.202	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	134.3	174.4	64.1	0	0	0	0	112	T309	T295-T309 PolarHBondContact N-O 2.99Å; T295-T309 PolarHBondContact O-N 3.03Å
296	F	73.4	Confident	69.3	Low	26 Å²	26	46 Å²	46	11%	0.114	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	149.8	176.4	-66.9	-100.8	0	0	0	111.1	C272 L275 M276 L283 F307 V308	C272-F296 HydrophobicContact CB-CD1 4.37Å; C272-F296 HydrophobicContact CB-CE1 4.23Å; L275-F296 HydrophobicContact CB-CE1 4.19Å; L275-F296 HydrophobicContact CB-CZ 3.86Å; L275-F296 HydrophobicContact CD1-CE1 4.31Å; M276-F296 HydrophobicContact CG-CD2 4.36Å; M276-F296 HydrophobicContact CG-CE1 4.36Å; M276-F296 HydrophobicContact CG-CE2 4.02Å; M276-F296 HydrophobicContact CG-CZ 4.03Å; L283-F296 HydrophobicContact CD1-CE2 3.66Å; L283-F296 HydrophobicContact CD1-CZ 4.39Å; L283-F296 HydrophobicContact CD2-CD2 4.29Å; L283-F296 HydrophobicContact CD2-CE2 3.87Å; L283-F296 HydrophobicContact CG-CE2 4.35Å; F296-F307 CarbonylContact C-O 3.53Å; F296-F307 WeakPolarHBondContact CA-O 3.48Å; F296-V308 HydrophobicContact CD1-CG2 3.75Å; F296-V308 HydrophobicContact CE1-CG1 4.36Å; F296-V308 HydrophobicContact CE1-CG2 3.56Å; F296-V308 HydrophobicContact CZ-CG1 4.4Å; F296-V308 HydrophobicContact CZ-CG2 4.36Å
297	G	65.4	Low	68.8	Low	12 Å²	12	48.3 Å²	48.3	12%	0.124	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	151	168.1	0	0	0	0	0	111	C306 F307	G297-C306 CarbonylContact O-C 3.53Å; G297-C306 WeakPolarHBondContact O-CA 3.43Å; G297-C306 PolarHBondContact O-SG 3.23Å; G297-F307 PolarHBondContact N-O 3.44Å; G297-F307 PolarHBondContact O-N 3.33Å
298	H	59.1	Low	68.6	Low	71 Å²	71	47.4 Å²	47.4	33%	0.329	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	153.3	175.7	-66.7	-95	0	0	0	110.9	F307 C589 M623	H298-F307 WeakPolarHBondContact O-CD2 3.5Å; H298-C589 PolarHBondContact CD2-O 2.83Å; H298-C589 PolarHBondContact NE2-O 3.33Å; H298-M623 WeakPolarHBondContact O-CE 3.45Å
299	W	54.3	Low	68.5	Low	91 Å²	91	46.3 Å²	46.3	35%	0.345	24%	0.238	S	C	.	.			trans	-89.3	121	160.8	-176.1	-80.4	0	0	0	108.1	L266 D301 A302 W305 F307	L266-W299 HydrophobicContact CD1-CE3 4.22Å; L266-W299 HydrophobicContact CD1-CZ3 4.02Å; L266-W299 HydrophobicContact CD2-CD2 4.37Å; L266-W299 HydrophobicContact CD2-CE3 3.44Å; L266-W299 VanDerWaalsContact CD2-CE3 3.44Å; L266-W299 HydrophobicContact CD2-CZ3 3.84Å; L266-W299 HydrophobicContact CG-CE3 4.45Å; L266-W299 HydrophobicContact CG-CZ3 4.47Å; W299-D301 VanDerWaalsContact C-N 3.3Å; W299-D301 PolarHBondContact O-N 2.78Å; W299-A302 PolarHBondContact O-N 3.13Å; W299-W305 HydrophobicContact CB-CB 4.11Å; W299-W305 PolarHBondContact N-O 2.89Å; W299-F307 HydrophobicContact CB-CE2 4.46Å; W299-F307 HydrophobicContact CD2-CE2 4.17Å; W299-F307 HydrophobicContact CD2-CZ 4.25Å; W299-F307 HydrophobicContact CE3-CD1 4.41Å; W299-F307 HydrophobicContact CE3-CD2 4.14Å; W299-F307 AromaticContact CE3-CE1 3.73Å; W299-F307 HydrophobicContact CE3-CE1 3.73Å; W299-F307 AromaticContact CE3-CE2 3.4Å; W299-F307 HydrophobicContact CE3-CE2 3.4Å; W299-F307 AromaticContact CE3-CZ 3.17Å; W299-F307 HydrophobicContact CE3-CZ 3.17Å; W299-F307 HydrophobicContact CH2-CZ 4.41Å; W299-F307 AromaticContact CZ3-CE1 3.63Å; W299-F307 HydrophobicContact CZ3-CE1 3.63Å; W299-F307 HydrophobicContact CZ3-CE2 4.02Å; W299-F307 AromaticContact CZ3-CZ 3.29Å; W299-F307 HydrophobicContact CZ3-CZ 3.29Å
300	N	48.2	Very low	68.5	Low	58 Å²	58	46.2 Å²	46.2	31%	0.31	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-30.6	-164.1	-82	3.5	0	0	0	114.5	M623 N627	N300-M623 HydrophobicContact CB-CE 4.29Å; N300-M623 VanDerWaalsContact ND2-C 3.35Å; N300-M623 PolarHBondContact ND2-O 2.91Å; N300-M623 WeakPolarHBondContact OD1-CE 3.28Å; N300-N627 PolarHBondContact ND2-OD1 2.84Å; N300-N627 VanDerWaalsContact ND2-OD1 3.13Å
301	D	45.2	Very low	68.2	Low	90 Å²	90	46.6 Å²	46.6	48%	0.481	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	5.4	-175.8	-50.4	-59.9	0	0	0	114.2	W299	W299-D301 VanDerWaalsContact C-N 3.3Å; W299-D301 PolarHBondContact O-N 2.78Å
302	A	44.1	Very low	68.1	Low	29 Å²	29	44.4 Å²	44.4	24%	0.24	22%	0.224	C	C	.	.			trans	-153.9	106	-178.4	0	0	0	0	0	112.9	W299 L304 W305	W299-A302 PolarHBondContact O-N 3.13Å; A302-L304 PolarHBondContact O-N 3.22Å; A302-W305 PolarHBondContact O-N 2.9Å
303	E	52.8	Low	67.8	Low	168 Å²	168	48.6 Å²	48.6	79%	0.785	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-20.1	171.7	-60.9	-169.6	137.7	0	0	113.4	A269 W305	A269-E303 WeakPolarHBondContact CB-O 3.2Å; E303-W305 VanDerWaalsContact C-N 3.3Å; E303-W305 PolarHBondContact O-N 3Å
304	L	60.5	Low	68	Low	131 Å²	131	49 Å²	49	69%	0.686	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-16.9	177.4	-58.8	178.2	0	0	0	113.9	P268 A269 A302	P268-L304 CarbonylContact C-O 3.54Å; P268-L304 VanDerWaalsContact CA-O 3.24Å; P268-L304 WeakPolarHBondContact CA-O 3.2Å; A269-L304 PolarHBondContact N-O 2.85Å; A302-L304 PolarHBondContact O-N 3.22Å
305	W	65.5	Low	68.2	Low	58 Å²	58	55.1 Å²	55.1	22%	0.22	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	146.9	-169.1	-68.4	99.8	0	0	0	114.7	H242 L266 V267 P268 W299 A302 E303	H242-W305 AromaticContact CD2-CH2 3.4Å; H242-W305 VanDerWaalsContact CD2-CH2 3.4Å; H242-W305 WeakPolarHBondContact CD2-CH2 3.5Å; H242-W305 AromaticContact CD2-CZ3 3.63Å; H242-W305 AromaticContact NE2-CH2 3.37Å; H242-W305 WeakPolarHBondContact NE2-CH2 3.39Å; H242-W305 AromaticContact NE2-CZ2 3.96Å; L266-W305 HydrophobicContact CB-CE3 3.86Å; L266-W305 HydrophobicContact CB-CZ3 4.18Å; V267-W305 VanDerWaalsContact C-CE3 3.45Å; P268-W305 VanDerWaalsContact CD-CZ3 3.49Å; P268-W305 HydrophobicContact CG-CE3 4.24Å; P268-W305 HydrophobicContact CG-CH2 3.9Å; P268-W305 HydrophobicContact CG-CZ3 3.71Å; W299-W305 HydrophobicContact CB-CB 4.11Å; W299-W305 PolarHBondContact N-O 2.89Å; A302-W305 PolarHBondContact O-N 2.9Å; E303-W305 VanDerWaalsContact C-N 3.3Å; E303-W305 PolarHBondContact O-N 3Å
306	C	70.7	Confident	68.8	Low	10 Å²	10	60.3 Å²	60.3	7%	0.068	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	134.2	178.4	-177.7	0	0	0	0	110.2	V267 C272 G297	V267-C306 PolarHBondContact N-O 2.85Å; V267-C306 PolarHBondContact O-N 3.45Å; C272-C306 WeakPolarHBondContact SG-CB 3.25Å; G297-C306 CarbonylContact O-C 3.53Å; G297-C306 WeakPolarHBondContact O-CA 3.43Å; G297-C306 PolarHBondContact O-SG 3.23Å
307	F	74.6	Confident	69.4	Low	49 Å²	49	60.7 Å²	60.7	22%	0.215	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	127.1	164.2	-73.2	-81.8	0	0	0	110	L244 L265 L266 F296 G297 H298 W299 M623	L244-F307 HydrophobicContact CD1-CD1 3.81Å; L244-F307 HydrophobicContact CD1-CE1 3.57Å; L265-F307 CarbonylContact O-C 3.58Å; L265-F307 WeakPolarHBondContact O-CA 3.04Å; L266-F307 HydrophobicContact CD2-CD1 3.93Å; L266-F307 HydrophobicContact CD2-CE1 4.19Å; L266-F307 HydrophobicContact CD2-CG 4.25Å; F296-F307 CarbonylContact C-O 3.53Å; F296-F307 WeakPolarHBondContact CA-O 3.48Å; G297-F307 PolarHBondContact N-O 3.44Å; G297-F307 PolarHBondContact O-N 3.33Å; H298-F307 WeakPolarHBondContact O-CD2 3.5Å; W299-F307 HydrophobicContact CB-CE2 4.46Å; W299-F307 HydrophobicContact CD2-CE2 4.17Å; W299-F307 HydrophobicContact CD2-CZ 4.25Å; W299-F307 HydrophobicContact CE3-CD1 4.41Å; W299-F307 HydrophobicContact CE3-CD2 4.14Å; W299-F307 AromaticContact CE3-CE1 3.73Å; W299-F307 HydrophobicContact CE3-CE1 3.73Å; W299-F307 AromaticContact CE3-CE2 3.4Å; W299-F307 HydrophobicContact CE3-CE2 3.4Å; W299-F307 AromaticContact CE3-CZ 3.17Å; W299-F307 HydrophobicContact CE3-CZ 3.17Å; W299-F307 HydrophobicContact CH2-CZ 4.41Å; W299-F307 AromaticContact CZ3-CE1 3.63Å; W299-F307 HydrophobicContact CZ3-CE1 3.63Å; W299-F307 HydrophobicContact CZ3-CE2 4.02Å; W299-F307 AromaticContact CZ3-CZ 3.29Å; W299-F307 HydrophobicContact CZ3-CZ 3.29Å; F307-M623 HydrophobicContact CD2-CE 4.42Å; F307-M623 HydrophobicContact CE2-CE 4.02Å; F307-M623 HydrophobicContact CE2-SD 3.86Å
308	V	81.1	Confident	70.4	Confident	0 Å²	0	61 Å²	61	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	121.3	160.9	-174.1	0	0	0	0	107.5	S264 L265 V267 L275 L294 F296 L325	S264-V308 CarbonylContact C-O 3.45Å; L265-V308 HydrophobicContact CB-CB 4.34Å; L265-V308 WeakPolarHBondContact CB-O 3.37Å; L265-V308 PolarHBondContact N-O 3.42Å; L265-V308 PolarHBondContact O-N 2.91Å; V267-V308 HydrophobicContact CB-CG2 4.03Å; V267-V308 HydrophobicContact CG2-CB 4.28Å; V267-V308 HydrophobicContact CG2-CG2 3.59Å; L275-V308 HydrophobicContact CD1-CG2 4.49Å; L294-V308 HydrophobicContact CD2-CG1 4.18Å; F296-V308 HydrophobicContact CD1-CG2 3.75Å; F296-V308 HydrophobicContact CE1-CG1 4.36Å; F296-V308 HydrophobicContact CE1-CG2 3.56Å; F296-V308 HydrophobicContact CZ-CG1 4.4Å; F296-V308 HydrophobicContact CZ-CG2 4.36Å; V308-L325 HydrophobicContact CG1-CD1 4.21Å
309	T	79.4	Confident	71.8	Confident	16 Å²	16	61.2 Å²	61.2	10%	0.098	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	118.9	176.8	-63.7	0	0	0	0	110.1	K262 K263 S264 L294 T295 V311	K262-T309 HydrophobicContact CD-CG2 4.32Å; K262-T309 HydrophobicContact CG-CG2 3.65Å; K263-T309 WeakPolarHBondContact O-CA 3.41Å; S264-T309 PolarHBondContact OG-OG1 3Å; L294-T309 WeakPolarHBondContact CA-O 3.45Å; T295-T309 PolarHBondContact N-O 2.99Å; T295-T309 PolarHBondContact O-N 3.03Å; T309-V311 HydrophobicContact CG2-CG2 4.22Å
310	V	82.7	Confident	73.5	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	132.2	174.7	179.9	0	0	0	0	108.7	K262 K263 L265 I293 L294 T312 Q318 A321 L325	K262-V310 WeakPolarHBondContact CA-O 3.17Å; K263-V310 PolarHBondContact N-O 2.75Å; K263-V310 PolarHBondContact O-N 2.59Å; L265-V310 HydrophobicContact CD1-CG2 4.04Å; I293-V310 CarbonylContact O-C 3.54Å; I293-V310 WeakPolarHBondContact O-CA 3.29Å; L294-V310 HydrophobicContact CG-CG2 4.33Å; V310-T312 HydrophobicContact CG1-CG2 4.06Å; V310-Q318 HydrophobicContact CG1-CG 4.49Å; V310-A321 HydrophobicContact CG1-CB 3.73Å; V310-L325 HydrophobicContact CG2-CD1 3.99Å
311	V	78.1	Confident	75.5	Confident	12 Å²	12	54.3 Å²	54.3	7%	0.073	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	130.9	173.7	-175.6	0	0	0	0	109.8	V260 L261 K262 I293 T309	V260-V311 HydrophobicContact CB-CG1 3.82Å; V260-V311 HydrophobicContact CG1-CG1 4.46Å; V260-V311 HydrophobicContact CG2-CG1 3.63Å; L261-V311 VanDerWaalsContact O-CA 3.31Å; L261-V311 WeakPolarHBondContact O-CA 3.25Å; K262-V311 HydrophobicContact CG-CG2 4.32Å; I293-V311 HydrophobicContact CB-CB 4.34Å; I293-V311 PolarHBondContact N-O 3.18Å; I293-V311 PolarHBondContact O-N 2.88Å; T309-V311 HydrophobicContact CG2-CG2 4.22Å
312	T	79.8	Confident	77.6	Confident	4 Å²	4	50.1 Å²	50.1	3%	0.025	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	158.6	-173.3	52	0	0	0	0	112	V260 L261 V310 N314 Q317 Q318	V260-T312 CarbonylContact C-O 3.53Å; V260-T312 VanDerWaalsContact CA-O 3.23Å; V260-T312 WeakPolarHBondContact CA-O 3.46Å; V260-T312 VanDerWaalsContact CB-O 3.22Å; V260-T312 WeakPolarHBondContact CB-O 3.3Å; L261-T312 PolarHBondContact N-O 2.84Å; L261-T312 PolarHBondContact O-N 3.05Å; V310-T312 HydrophobicContact CG1-CG2 4.06Å; T312-N314 VanDerWaalsContact C-N 3.34Å; T312-N314 WeakPolarHBondContact CB-O 3.45Å; T312-N314 PolarHBondContact OG1-O 3.36Å; T312-Q317 HydrophobicContact CG2-CB 3.63Å; T312-Q318 HydrophobicContact CG2-CB 4.45Å; T312-Q318 WeakPolarHBondContact OG1-CB 3.38Å; T312-Q318 PolarHBondContact OG1-NE2 3.47Å
313	D	75.5	Confident	79.9	Confident	97 Å²	97	49.3 Å²	49.3	52%	0.519	24%	0.238	S	C	.	.	S	Bend	trans	-75.1	-25.8	175.8	-59.4	-50.3	0	0	0	112.4	V260	V260-D313 WeakPolarHBondContact CG1-OD1 3.33Å
314	N	82	Confident	81.8	Confident	66 Å²	66	41.4 Å²	41.4	35%	0.353	20%	0.201	S	C	.	.	S	Bend	trans	-143.9	170	-179.6	62.9	78	0	0	0	113.9	T312 R316 Q317 Q318	T312-N314 VanDerWaalsContact C-N 3.34Å; T312-N314 WeakPolarHBondContact CB-O 3.45Å; T312-N314 PolarHBondContact OG1-O 3.36Å; N314-R316 WeakPolarHBondContact OD1-CB 3.41Å; N314-R316 PolarHBondContact OD1-N 2.99Å; N314-Q317 PolarHBondContact ND2-OE1 3.46Å; N314-Q317 VanDerWaalsContact ND2-OE1 3.12Å; N314-Q317 PolarHBondContact OD1-N 2.86Å; N314-Q318 PolarHBondContact O-N 2.9Å
315	E	85.9	Confident	83.3	Confident	137 Å²	137	35.1 Å²	35.1	64%	0.64	17%	0.168	S	C	*	.	H	α-helix	trans	-71.3	-36.5	-175.7	-170.1	166.7	-144.8	0	0	111.9	L261 Q317 Q318 D319	L261-E315 HydrophobicContact CD1-CB 3.76Å; L261-E315 VanDerWaalsContact CD1-N 3.28Å; E315-Q317 PolarHBondContact O-N 3.45Å; E315-Q318 WeakPolarHBondContact O-CA 3.4Å; E315-Q318 VanDerWaalsContact O-CB 3.27Å; E315-Q318 WeakPolarHBondContact O-CB 3.2Å; E315-Q318 PolarHBondContact O-N 2.61Å; E315-D319 PolarHBondContact O-N 2.91Å
316	R	86.7	Confident	84.4	Confident	141 Å²	141	34.6 Å²	34.6	53%	0.532	17%	0.168	S	C	.	.	H	α-helix	trans	-59.1	-51.7	176.7	-167.4	-176.5	-170.8	-149.8	-2.3	111.2	N314 Q318 D319 S320 D534	N314-R316 WeakPolarHBondContact OD1-CB 3.41Å; N314-R316 PolarHBondContact OD1-N 2.99Å; R316-Q318 PolarHBondContact O-N 3.43Å; R316-D319 PolarHBondContact O-N 2.76Å; R316-S320 PolarHBondContact O-N 2.88Å; R316-S320 PolarHBondContact O-OG 2.79Å; R316-D534 IonicContact CZ-OD2 3.22Å; R316-D534 IonicContact NH1-OD2 2.8Å; R316-D534 PolarHBondContact NH1-OD2 3.32Å; R316-D534 IonicContact NH2-OD2 3.27Å; R316-D534 PolarHBondContact NH2-OD2 3.04Å
317	Q	85.7	Confident	85.4	Confident	34 Å²	34	34.5 Å²	34.5	16%	0.159	17%	0.167	C	C	.	.	H	α-helix	trans	-56.6	-36.3	173.3	-73.1	168.9	-26.3	0	0	112.6	T312 N314 E315 S320 A321	T312-Q317 HydrophobicContact CG2-CB 3.63Å; N314-Q317 PolarHBondContact ND2-OE1 3.46Å; N314-Q317 VanDerWaalsContact ND2-OE1 3.12Å; N314-Q317 PolarHBondContact OD1-N 2.86Å; E315-Q317 PolarHBondContact O-N 3.45Å; Q317-S320 WeakPolarHBondContact O-CB 3.45Å; Q317-S320 PolarHBondContact O-N 2.73Å; Q317-A321 WeakPolarHBondContact O-CB 3.33Å; Q317-A321 PolarHBondContact O-N 3.05Å
318	Q	86.6	Confident	86.2	Confident	19 Å²	19	32.1 Å²	32.1	9%	0.089	16%	0.156	C	C	.	.	H	α-helix	trans	-65.9	-46.5	179.6	-168.2	155.3	104.7	0	0	110.6	L261 K263 V310 T312 N314 E315 R316 A321 I322	L261-Q318 PolarHBondContact O-NE2 3.2Å; K263-Q318 HydrophobicContact CB-CG 4.04Å; V310-Q318 HydrophobicContact CG1-CG 4.49Å; T312-Q318 HydrophobicContact CG2-CB 4.45Å; T312-Q318 WeakPolarHBondContact OG1-CB 3.38Å; T312-Q318 PolarHBondContact OG1-NE2 3.47Å; N314-Q318 PolarHBondContact O-N 2.9Å; E315-Q318 WeakPolarHBondContact O-CA 3.4Å; E315-Q318 VanDerWaalsContact O-CB 3.27Å; E315-Q318 WeakPolarHBondContact O-CB 3.2Å; E315-Q318 PolarHBondContact O-N 2.61Å; R316-Q318 PolarHBondContact O-N 3.43Å; Q318-A321 PolarHBondContact O-N 2.9Å; Q318-I322 HydrophobicContact CG-CD1 3.76Å; Q318-I322 WeakPolarHBondContact O-CB 3.47Å; Q318-I322 WeakPolarHBondContact O-CD1 3.37Å; Q318-I322 WeakPolarHBondContact O-CG1 3.32Å; Q318-I322 PolarHBondContact O-N 3.14Å
319	D	89	Confident	86.5	Confident	75 Å²	75	32.4 Å²	32.4	40%	0.401	16%	0.158	S	C	.	.	H	α-helix	trans	-66.7	-36.7	173.9	-76	-30.5	0	0	0	112	E315 R316 A321 I322 A323 Y533	E315-D319 PolarHBondContact O-N 2.91Å; R316-D319 PolarHBondContact O-N 2.76Å; D319-A321 PolarHBondContact O-N 2.74Å; D319-I322 PolarHBondContact O-N 2.56Å; D319-A323 WeakPolarHBondContact O-CB 3.4Å; D319-A323 PolarHBondContact O-N 2.91Å; D319-Y533 HydrophobicContact CB-CD1 4.46Å
320	S	89.1	Confident	86.9	Confident	4 Å²	4	36.5 Å²	36.5	3%	0.028	17%	0.174	C	C	.	.	H	α-helix	trans	-55.5	-49.9	171.3	-48.2	0	0	0	0	111.7	R316 Q317 L324 Y533	R316-S320 PolarHBondContact O-N 2.88Å; R316-S320 PolarHBondContact O-OG 2.79Å; Q317-S320 WeakPolarHBondContact O-CB 3.45Å; Q317-S320 PolarHBondContact O-N 2.73Å; S320-L324 VanDerWaalsContact O-CB 3.27Å; S320-L324 WeakPolarHBondContact O-CB 3.3Å; S320-L324 PolarHBondContact O-N 3.3Å; S320-Y533 WeakPolarHBondContact CB-O 3.3Å; S320-Y533 PolarHBondContact OG-O 2.61Å
321	A	89.7	Confident	87.1	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-66.3	-44.1	179.3	0	0	0	0	0	112	T290 V310 Q317 Q318 D319 L325	T290-A321 HydrophobicContact CG2-CB 4.39Å; V310-A321 HydrophobicContact CG1-CB 3.73Å; Q317-A321 WeakPolarHBondContact O-CB 3.33Å; Q317-A321 PolarHBondContact O-N 3.05Å; Q318-A321 PolarHBondContact O-N 2.9Å; D319-A321 PolarHBondContact O-N 2.74Å; A321-L325 WeakPolarHBondContact O-CB 3.44Å; A321-L325 WeakPolarHBondContact O-CG 3.43Å; A321-L325 PolarHBondContact O-N 3.24Å
322	I	90.9	Very high	87.4	Confident	3 Å²	3	45 Å²	45	2%	0.015	21%	0.206	C	C	.	.	H	α-helix	trans	-66.8	-43.5	179.5	-66.9	162.9	0	0	0	111.1	K243 K263 L265 Q318 D319 L325 Q326	K243-I322 HydrophobicContact CD-CG2 4.32Å; K263-I322 HydrophobicContact CB-CD1 4.23Å; K263-I322 HydrophobicContact CG-CD1 3.82Å; L265-I322 HydrophobicContact CD1-CG1 4.26Å; L265-I322 HydrophobicContact CD2-CD1 4.5Å; L265-I322 HydrophobicContact CD2-CG1 4.35Å; Q318-I322 HydrophobicContact CG-CD1 3.76Å; Q318-I322 WeakPolarHBondContact O-CB 3.47Å; Q318-I322 WeakPolarHBondContact O-CD1 3.37Å; Q318-I322 WeakPolarHBondContact O-CG1 3.32Å; Q318-I322 PolarHBondContact O-N 3.14Å; D319-I322 PolarHBondContact O-N 2.56Å; I322-L325 PolarHBondContact O-N 3.1Å; I322-Q326 HydrophobicContact CG2-CG 4.45Å; I322-Q326 VanDerWaalsContact O-CG 3.3Å; I322-Q326 WeakPolarHBondContact O-CG 3.25Å; I322-Q326 PolarHBondContact O-N 2.96Å
323	A	91.2	Very high	87.7	Confident	12 Å²	12	45.5 Å²	45.5	10%	0.099	21%	0.208	C	C	.	.	H	α-helix	trans	-65.2	-42.7	178.4	0	0	0	0	0	111.5	D319 Q326 F327 L529 Y533	D319-A323 WeakPolarHBondContact O-CB 3.4Å; D319-A323 PolarHBondContact O-N 2.91Å; A323-Q326 PolarHBondContact O-N 2.91Å; A323-F327 WeakPolarHBondContact O-CB 3.16Å; A323-F327 PolarHBondContact O-N 3.3Å; A323-L529 HydrophobicContact CB-CD2 3.53Å; A323-Y533 HydrophobicContact CB-CD1 3.65Å; A323-Y533 HydrophobicContact CB-CD2 4.38Å; A323-Y533 HydrophobicContact CB-CE1 3.63Å; A323-Y533 HydrophobicContact CB-CE2 4.35Å; A323-Y533 HydrophobicContact CB-CG 4.03Å
324	L	92.5	Very high	88	Confident	1 Å²	1	43 Å²	43	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-60.8	-46.5	173.3	180	61.9	0	0	0	111.5	I286 I289 T290 S320 Q326 F327 L328 L335 L529 V535	I286-L324 HydrophobicContact CB-CD2 4.32Å; I286-L324 HydrophobicContact CG1-CD2 4.01Å; I286-L324 HydrophobicContact CG2-CD2 4.15Å; I289-L324 HydrophobicContact CD1-CD2 3.8Å; I289-L324 HydrophobicContact CG1-CD2 3.95Å; T290-L324 HydrophobicContact CG2-CB 4.39Å; T290-L324 HydrophobicContact CG2-CD2 3.58Å; S320-L324 VanDerWaalsContact O-CB 3.27Å; S320-L324 WeakPolarHBondContact O-CB 3.3Å; S320-L324 PolarHBondContact O-N 3.3Å; L324-Q326 PolarHBondContact O-N 3.39Å; L324-F327 PolarHBondContact O-N 3.23Å; L324-L328 HydrophobicContact CD1-CD1 4.05Å; L324-L328 HydrophobicContact CD1-CD2 4.27Å; L324-L328 HydrophobicContact CD1-CG 3.96Å; L324-L328 HydrophobicContact CG-CD1 4Å; L324-L328 HydrophobicContact CG-CG 4.29Å; L324-L328 VanDerWaalsContact O-CG 3.29Å; L324-L328 WeakPolarHBondContact O-CG 3.46Å; L324-L328 PolarHBondContact O-N 3.09Å; L324-L335 HydrophobicContact CD1-CD1 4.34Å; L324-L529 HydrophobicContact CD1-CD1 4.5Å; L324-V535 HydrophobicContact CD2-CG1 4.29Å
325	L	91.8	Very high	88	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-57.1	-46.9	174.5	-73.2	174.7	0	0	0	111.6	I241 L265 L275 I286 L294 V308 V310 A321 I322 F327 L328 L329	I241-L325 HydrophobicContact CD1-CB 3.74Å; L265-L325 HydrophobicContact CD1-CD1 3.69Å; L275-L325 HydrophobicContact CD1-CD2 3.97Å; L275-L325 HydrophobicContact CD2-CD2 3.62Å; L275-L325 HydrophobicContact CG-CD2 4.28Å; I286-L325 HydrophobicContact CD1-CD2 4.06Å; L294-L325 HydrophobicContact CD2-CD1 3.98Å; L294-L325 HydrophobicContact CD2-CD2 3.91Å; L294-L325 HydrophobicContact CD2-CG 4.31Å; V308-L325 HydrophobicContact CG1-CD1 4.21Å; V310-L325 HydrophobicContact CG2-CD1 3.99Å; A321-L325 WeakPolarHBondContact O-CB 3.44Å; A321-L325 WeakPolarHBondContact O-CG 3.43Å; A321-L325 PolarHBondContact O-N 3.24Å; I322-L325 PolarHBondContact O-N 3.1Å; L325-F327 VanDerWaalsContact C-N 3.34Å; L325-F327 PolarHBondContact O-N 3.02Å; L325-L328 PolarHBondContact O-N 2.85Å; L325-L329 WeakPolarHBondContact O-CG 3.42Å; L325-L329 PolarHBondContact O-N 3.43Å; L325-L329 VanDerWaalsContact O-N 3.13Å
326	Q	90.3	Very high	87.7	Confident	46 Å²	46	37.6 Å²	37.6	22%	0.215	17%	0.167	C	C	.	.	H	α-helix	trans	-61.1	-41.3	179.2	-71.4	-174.6	-81.2	0	0	111.8	I241 K243 I322 A323 L324 K330	I241-Q326 HydrophobicContact CB-CG 4.32Å; I241-Q326 HydrophobicContact CD1-CB 4.46Å; I241-Q326 HydrophobicContact CD1-CG 3.71Å; I241-Q326 HydrophobicContact CG1-CG 4.11Å; K243-Q326 VanDerWaalsContact NZ-OE1 3.12Å; I322-Q326 HydrophobicContact CG2-CG 4.45Å; I322-Q326 VanDerWaalsContact O-CG 3.3Å; I322-Q326 WeakPolarHBondContact O-CG 3.25Å; I322-Q326 PolarHBondContact O-N 2.96Å; A323-Q326 PolarHBondContact O-N 2.91Å; L324-Q326 PolarHBondContact O-N 3.39Å; Q326-K330 VanDerWaalsContact O-CB 3.28Å; Q326-K330 WeakPolarHBondContact O-CB 3.28Å; Q326-K330 PolarHBondContact O-N 2.98Å
327	F	90.9	Very high	87.2	Confident	8 Å²	8	31.3 Å²	31.3	4%	0.035	14%	0.143	C	C	.	.	H	α-helix	trans	-66.9	-48.8	176.9	171.7	-97.4	0	0	0	113.2	A323 L324 L325 L329 K330 Y331 I333 E525 F526 L529	A323-F327 WeakPolarHBondContact O-CB 3.16Å; A323-F327 PolarHBondContact O-N 3.3Å; L324-F327 PolarHBondContact O-N 3.23Å; L325-F327 VanDerWaalsContact C-N 3.34Å; L325-F327 PolarHBondContact O-N 3.02Å; F327-L329 PolarHBondContact O-N 3.26Å; F327-K330 PolarHBondContact O-N 3.43Å; F327-K330 VanDerWaalsContact O-N 3.15Å; F327-Y331 AromaticContact CD2-CD2 3.45Å; F327-Y331 HydrophobicContact CD2-CD2 3.45Å; F327-Y331 VanDerWaalsContact CD2-CD2 3.45Å; F327-Y331 AromaticContact CD2-CE2 3.63Å; F327-Y331 HydrophobicContact CD2-CE2 3.63Å; F327-Y331 AromaticContact CE2-CD2 3.48Å; F327-Y331 HydrophobicContact CE2-CD2 3.48Å; F327-Y331 VanDerWaalsContact CE2-CD2 3.48Å; F327-Y331 AromaticContact CE2-CE2 3.68Å; F327-Y331 HydrophobicContact CE2-CE2 3.68Å; F327-Y331 HydrophobicContact CE2-CG 4.35Å; F327-Y331 HydrophobicContact CG-CD2 4.17Å; F327-Y331 HydrophobicContact CZ-CD2 4.23Å; F327-Y331 PolarHBondContact O-N 3.39Å; F327-I333 HydrophobicContact CE1-CD1 3.6Å; F327-I333 HydrophobicContact CZ-CD1 3.68Å; F327-E525 HydrophobicContact CD2-CB 4.07Å; F327-E525 HydrophobicContact CE2-CB 4.05Å; F327-F526 HydrophobicContact CE1-CB 4.39Å; F327-F526 HydrophobicContact CE1-CD1 4.29Å; F327-F526 HydrophobicContact CE1-CD2 4.21Å; F327-F526 HydrophobicContact CE1-CG 4.05Å; F327-F526 HydrophobicContact CE2-CB 4.07Å; F327-F526 HydrophobicContact CZ-CB 3.63Å; F327-F526 HydrophobicContact CZ-CD1 4.04Å; F327-F526 HydrophobicContact CZ-CD2 4.3Å; F327-F526 AromaticContact CZ-CG 3.74Å; F327-F526 HydrophobicContact CZ-CG 3.74Å; F327-L529 HydrophobicContact CB-CD1 3.49Å; F327-L529 VanDerWaalsContact CB-CD1 3.49Å; F327-L529 HydrophobicContact CD1-CD1 3.57Å; F327-L529 HydrophobicContact CD2-CD1 3.75Å; F327-L529 HydrophobicContact CE1-CD1 4.2Å; F327-L529 HydrophobicContact CE2-CD1 4.37Å; F327-L529 HydrophobicContact CG-CD1 3.33Å
328	L	90.8	Very high	86.6	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60.7	-32.5	179.3	-65.6	179.3	0	0	0	111.9	L275 T282 I286 L324 L325 R332 I333 L335	L275-L328 HydrophobicContact CD2-CB 4.34Å; T282-L328 HydrophobicContact CG2-CD1 4.48Å; I286-L328 HydrophobicContact CD1-CD1 3.76Å; I286-L328 HydrophobicContact CG1-CD1 3.83Å; L324-L328 HydrophobicContact CD1-CD1 4.05Å; L324-L328 HydrophobicContact CD1-CD2 4.27Å; L324-L328 HydrophobicContact CD1-CG 3.96Å; L324-L328 HydrophobicContact CG-CD1 4Å; L324-L328 HydrophobicContact CG-CG 4.29Å; L324-L328 VanDerWaalsContact O-CG 3.29Å; L324-L328 WeakPolarHBondContact O-CG 3.46Å; L324-L328 PolarHBondContact O-N 3.09Å; L325-L328 PolarHBondContact O-N 2.85Å; L328-R332 CarbonylContact O-C 3.56Å; L328-R332 WeakPolarHBondContact O-CA 3.38Å; L328-R332 PolarHBondContact O-N 2.93Å; L328-I333 HydrophobicContact CD2-CB 3.79Å; L328-I333 HydrophobicContact CD2-CG2 3.73Å; L328-I333 PolarHBondContact O-N 3.39Å; L328-L335 HydrophobicContact CD1-CD1 4.13Å; L328-L335 HydrophobicContact CD1-CG 4.42Å; L328-L335 HydrophobicContact CD2-CD1 3.93Å; L328-L335 HydrophobicContact CD2-CD2 4.39Å; L328-L335 HydrophobicContact CD2-CG 3.74Å
329	L	87.9	Confident	86.3	Confident	6 Å²	6	32.5 Å²	32.5	3%	0.031	15%	0.151	C	C	.	.	H	α-helix	trans	-74.2	-46.9	171.9	-65.2	-168.5	0	0	0	113.1	P240 I241 V267 H271 L275 L325 F327 Y331 R332	P240-L329 HydrophobicContact CB-CB 4.32Å; P240-L329 HydrophobicContact CB-CD1 4.18Å; P240-L329 HydrophobicContact CG-CB 4.11Å; I241-L329 HydrophobicContact CD1-CD1 3.84Å; I241-L329 HydrophobicContact CG1-CD1 3.66Å; V267-L329 HydrophobicContact CG1-CD1 3.59Å; V267-L329 HydrophobicContact CG2-CD1 4.45Å; H271-L329 HydrophobicContact CB-CD1 4.46Å; H271-L329 HydrophobicContact CB-CD2 3.74Å; L275-L329 HydrophobicContact CD1-CD1 4.4Å; L275-L329 HydrophobicContact CD1-CD2 4.06Å; L275-L329 HydrophobicContact CD1-CG 4.45Å; L275-L329 HydrophobicContact CD2-CD2 3.62Å; L275-L329 HydrophobicContact CD2-CG 4.06Å; L275-L329 HydrophobicContact CG-CD2 3.72Å; L275-L329 HydrophobicContact CG-CG 4.45Å; L325-L329 WeakPolarHBondContact O-CG 3.42Å; L325-L329 PolarHBondContact O-N 3.43Å; L325-L329 VanDerWaalsContact O-N 3.13Å; F327-L329 PolarHBondContact O-N 3.26Å; L329-Y331 VanDerWaalsContact C-N 3.31Å; L329-Y331 PolarHBondContact O-N 3.36Å; L329-R332 PolarHBondContact O-N 2.82Å
330	K	87	Confident	85.9	Confident	102 Å²	102	28.9 Å²	28.9	44%	0.443	13%	0.132	S	C	.	.	H	α-helix	trans	-57.3	-41.6	-179.4	176.7	176.9	170.2	-176.2	0	112.7	Q326 F327 E525	Q326-K330 VanDerWaalsContact O-CB 3.28Å; Q326-K330 WeakPolarHBondContact O-CB 3.28Å; Q326-K330 PolarHBondContact O-N 2.98Å; F327-K330 PolarHBondContact O-N 3.43Å; F327-K330 VanDerWaalsContact O-N 3.15Å; K330-E525 IonicContact NZ-OE1 2.84Å; K330-E525 PolarHBondContact NZ-OE1 3.26Å; K330-E525 IonicContact NZ-OE2 2.72Å; K330-E525 PolarHBondContact NZ-OE2 3.48Å
331	Y	87.1	Confident	85.2	Confident	35 Å²	35	29.3 Å²	29.3	14%	0.137	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-0.6	179.8	-64.9	-79.6	0	0	0	113.7	F327 L329 I333 C522 E525	F327-Y331 AromaticContact CD2-CD2 3.45Å; F327-Y331 HydrophobicContact CD2-CD2 3.45Å; F327-Y331 VanDerWaalsContact CD2-CD2 3.45Å; F327-Y331 AromaticContact CD2-CE2 3.63Å; F327-Y331 HydrophobicContact CD2-CE2 3.63Å; F327-Y331 AromaticContact CE2-CD2 3.48Å; F327-Y331 HydrophobicContact CE2-CD2 3.48Å; F327-Y331 VanDerWaalsContact CE2-CD2 3.48Å; F327-Y331 AromaticContact CE2-CE2 3.68Å; F327-Y331 HydrophobicContact CE2-CE2 3.68Å; F327-Y331 HydrophobicContact CE2-CG 4.35Å; F327-Y331 HydrophobicContact CG-CD2 4.17Å; F327-Y331 HydrophobicContact CZ-CD2 4.23Å; F327-Y331 PolarHBondContact O-N 3.39Å; L329-Y331 VanDerWaalsContact C-N 3.31Å; L329-Y331 PolarHBondContact O-N 3.36Å; Y331-I333 PolarHBondContact O-N 3.08Å; Y331-C522 HydrophobicContact CD1-CB 3.58Å; Y331-C522 VanDerWaalsContact CD1-SG 3.51Å; Y331-C522 HydrophobicContact CE1-CB 3.44Å; Y331-C522 VanDerWaalsContact CE1-CB 3.44Å; Y331-C522 HydrophobicContact CG-CB 4.23Å; Y331-C522 VanDerWaalsContact CG-SG 3.58Å; Y331-E525 HydrophobicContact CE2-CB 4.42Å; Y331-E525 VanDerWaalsContact OH-CD 3.29Å; Y331-E525 PolarHBondContact OH-OE1 3.47Å; Y331-E525 PolarHBondContact OH-OE2 3.42Å
332	R	84.8	Confident	84.6	Confident	156 Å²	156	32.9 Å²	32.9	59%	0.589	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	31.9	-176.3	-60.4	-175.1	178.1	178	1.5	114	I274 L328 L329	I274-R332 HydrophobicContact CD1-CB 4.03Å; I274-R332 HydrophobicContact CD1-CG 4.09Å; L328-R332 CarbonylContact O-C 3.56Å; L328-R332 WeakPolarHBondContact O-CA 3.38Å; L328-R332 PolarHBondContact O-N 2.93Å; L329-R332 PolarHBondContact O-N 2.82Å
333	I	85.5	Confident	84	Confident	14 Å²	14	32.8 Å²	32.8	7%	0.072	15%	0.152	C	C	.	.			trans	-76.6	127.6	-179.7	-66.7	166.7	0	0	0	109.6	I274 F327 L328 Y331 L335 F488	I274-I333 WeakPolarHBondContact CG2-O 3.22Å; F327-I333 HydrophobicContact CE1-CD1 3.6Å; F327-I333 HydrophobicContact CZ-CD1 3.68Å; L328-I333 HydrophobicContact CD2-CB 3.79Å; L328-I333 HydrophobicContact CD2-CG2 3.73Å; L328-I333 PolarHBondContact O-N 3.39Å; Y331-I333 PolarHBondContact O-N 3.08Å; I333-L335 HydrophobicContact CG2-CD2 3.92Å; I333-L335 HydrophobicContact CG2-CG 4.28Å; I333-F488 HydrophobicContact CD1-CB 4.49Å; I333-F488 HydrophobicContact CG2-CB 4.26Å; I333-F488 HydrophobicContact CG2-CD1 3.79Å; I333-F488 HydrophobicContact CG2-CE1 4.46Å; I333-F488 HydrophobicContact CG2-CG 4.19Å
334	S	83.1	Confident	83.2	Confident	45 Å²	45	32.5 Å²	32.5	32%	0.315	15%	0.149	S	C	.	.			trans	-102.5	102.8	166.9	-178.6	0	0	0	0	108.7	T282 R336	T282-S334 PolarHBondContact OG1-OG 3.46Å; T282-S334 VanDerWaalsContact OG1-OG 3.08Å; S334-R336 PolarHBondContact O-N 3.23Å; S334-R336 VanDerWaalsContact O-N 3.13Å
335	L	82.2	Confident	82.1	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.17	C	C	.	.			trans	-67.5	111.2	172.8	-63.9	176.6	0	0	0	108.6	T282 I289 L324 L328 I333 F488	T282-L335 VanDerWaalsContact CA-O 3.31Å; T282-L335 WeakPolarHBondContact CA-O 3.49Å; T282-L335 WeakPolarHBondContact CB-O 3.45Å; T282-L335 HydrophobicContact CG2-CB 4.29Å; T282-L335 PolarHBondContact OG1-O 2.89Å; I289-L335 HydrophobicContact CD1-CD1 4.17Å; L324-L335 HydrophobicContact CD1-CD1 4.34Å; L328-L335 HydrophobicContact CD1-CD1 4.13Å; L328-L335 HydrophobicContact CD1-CG 4.42Å; L328-L335 HydrophobicContact CD2-CD1 3.93Å; L328-L335 HydrophobicContact CD2-CD2 4.39Å; L328-L335 HydrophobicContact CD2-CG 3.74Å; I333-L335 HydrophobicContact CG2-CD2 3.92Å; I333-L335 HydrophobicContact CG2-CG 4.28Å; L335-F488 HydrophobicContact CD2-CD1 4.3Å; L335-F488 HydrophobicContact CD2-CD2 3.84Å; L335-F488 HydrophobicContact CD2-CE1 4.24Å; L335-F488 HydrophobicContact CD2-CE2 3.77Å; L335-F488 HydrophobicContact CD2-CG 4.12Å; L335-F488 HydrophobicContact CD2-CZ 3.99Å
336	R	79.7	Confident	80.6	Confident	89 Å²	89	41.7 Å²	41.7	34%	0.336	19%	0.191	S	C	.	.			trans	-104	133.5	170.2	-62.1	-174.6	-67	167	-3.9	108.9	S334 D338 D339 I340	S334-R336 PolarHBondContact O-N 3.23Å; S334-R336 VanDerWaalsContact O-N 3.13Å; R336-D338 VanDerWaalsContact C-N 3.32Å; R336-D338 PolarHBondContact O-N 2.84Å; R336-D339 HydrophobicContact CB-CB 4.37Å; R336-D339 IonicContact CZ-OD1 2.67Å; R336-D339 IonicContact CZ-OD2 2.59Å; R336-D339 IonicContact NE-OD1 3.23Å; R336-D339 PolarHBondContact NE-OD1 2.94Å; R336-D339 IonicContact NE-OD2 2.67Å; R336-D339 PolarHBondContact NE-OD2 3Å; R336-D339 IonicContact NH1-OD1 2.78Å; R336-D339 IonicContact NH2-OD1 2.66Å; R336-D339 PolarHBondContact NH2-OD1 2.93Å; R336-D339 IonicContact NH2-OD2 3.54Å; R336-D339 PolarHBondContact NH2-OD2 2.97Å; R336-D339 PolarHBondContact O-N 2.86Å; R336-I340 PolarHBondContact O-N 3.2Å
337	Y	76	Confident	78.7	Confident	8 Å²	8	39.7 Å²	39.7	3%	0.031	18%	0.183	C	C	.	.	H	α-helix	trans	-59.7	-44.1	174	176.8	-101.3	0	0	0	111.9	M285 D339 I340 A341 P543 I551 V552	M285-Y337 HydrophobicContact SD-CD2 3.79Å; M285-Y337 HydrophobicContact SD-CG 4.28Å; Y337-D339 PolarHBondContact O-N 2.91Å; Y337-I340 PolarHBondContact O-N 3.05Å; Y337-A341 HydrophobicContact CE1-CB 4.17Å; Y337-A341 WeakPolarHBondContact O-CB 3.49Å; Y337-A341 PolarHBondContact O-N 2.94Å; Y337-P543 HydrophobicContact CE2-CB 4.24Å; Y337-P543 WeakPolarHBondContact OH-CB 3.47Å; Y337-P543 VanDerWaalsContact OH-CG 3.23Å; Y337-P543 WeakPolarHBondContact OH-CG 3.12Å; Y337-I551 HydrophobicContact CD1-CB 4.39Å; Y337-I551 HydrophobicContact CD1-CG2 4.02Å; Y337-I551 HydrophobicContact CD2-CB 4.34Å; Y337-I551 HydrophobicContact CD2-CD1 3.7Å; Y337-I551 HydrophobicContact CD2-CG2 3.84Å; Y337-I551 HydrophobicContact CE2-CD1 3.7Å; Y337-I551 HydrophobicContact CG-CB 4.14Å; Y337-I551 HydrophobicContact CG-CD1 4.36Å; Y337-I551 HydrophobicContact CG-CG2 3.45Å; Y337-I551 VanDerWaalsContact CG-CG2 3.45Å; Y337-V552 HydrophobicContact CD1-CG2 3.96Å; Y337-V552 HydrophobicContact CE1-CG2 4.04Å
338	D	73.3	Confident	76.4	Confident	72 Å²	72	42.9 Å²	42.9	39%	0.385	21%	0.206	S	C	.	.	H	α-helix	trans	-57.8	-34.7	-177.9	-42	-37.8	0	0	0	112.2	R336 Q342	R336-D338 VanDerWaalsContact C-N 3.32Å; R336-D338 PolarHBondContact O-N 2.84Å; D338-Q342 WeakPolarHBondContact O-CB 3.07Å; D338-Q342 VanDerWaalsContact O-CG 3.24Å; D338-Q342 WeakPolarHBondContact O-CG 3.39Å; D338-Q342 PolarHBondContact O-N 3.22Å; D338-Q342 VanDerWaalsContact O-N 3.13Å; D338-Q342 PolarHBondContact O-NE2 3.13Å
339	D	79.3	Confident	74	Confident	6 Å²	6	48.3 Å²	48.3	3%	0.032	24%	0.235	C	C	.	.	H	α-helix	trans	-70.4	-46.6	175.5	-62.5	-15.9	0	0	0	110.8	R336 Y337 Q342 I343 F448 F488	R336-D339 HydrophobicContact CB-CB 4.37Å; R336-D339 IonicContact CZ-OD1 2.67Å; R336-D339 IonicContact CZ-OD2 2.59Å; R336-D339 IonicContact NE-OD1 3.23Å; R336-D339 PolarHBondContact NE-OD1 2.94Å; R336-D339 IonicContact NE-OD2 2.67Å; R336-D339 PolarHBondContact NE-OD2 3Å; R336-D339 IonicContact NH1-OD1 2.78Å; R336-D339 IonicContact NH2-OD1 2.66Å; R336-D339 PolarHBondContact NH2-OD1 2.93Å; R336-D339 IonicContact NH2-OD2 3.54Å; R336-D339 PolarHBondContact NH2-OD2 2.97Å; R336-D339 PolarHBondContact O-N 2.86Å; Y337-D339 PolarHBondContact O-N 2.91Å; D339-Q342 PolarHBondContact O-N 3.38Å; D339-I343 VanDerWaalsContact O-CD1 3.3Å; D339-I343 WeakPolarHBondContact O-CD1 3.43Å; D339-I343 WeakPolarHBondContact O-CG1 3.4Å; D339-I343 PolarHBondContact O-N 3.07Å; D339-F448 HydrophobicContact CB-CE2 4.21Å; D339-F448 HydrophobicContact CB-CZ 4.32Å; D339-F488 HydrophobicContact CB-CZ 4.09Å
340	I	79.9	Confident	71.7	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.8	-46.9	179.8	-66.9	164.6	0	0	0	110.5	M285 R336 Y337 Q342 I343 C344 V484 F488 A540	M285-I340 HydrophobicContact CE-CD1 3.41Å; M285-I340 VanDerWaalsContact CE-CD1 3.41Å; R336-I340 PolarHBondContact O-N 3.2Å; Y337-I340 PolarHBondContact O-N 3.05Å; I340-Q342 PolarHBondContact O-N 3.45Å; I340-I343 PolarHBondContact O-N 3.32Å; I340-C344 WeakPolarHBondContact O-CB 3.47Å; I340-C344 PolarHBondContact O-N 3.44Å; I340-C344 PolarHBondContact O-SG 2.76Å; I340-V484 HydrophobicContact CG1-CG1 4.21Å; I340-V484 HydrophobicContact CG2-CG2 4.18Å; I340-F488 HydrophobicContact CD1-CE2 4.16Å; I340-F488 HydrophobicContact CG1-CE2 3.71Å; I340-F488 HydrophobicContact CG1-CZ 4.15Å; I340-A540 HydrophobicContact CG2-CB 4.07Å; I340-A540 WeakPolarHBondContact CG2-O 3.45Å
341	A	76.2	Confident	69.4	Low	13 Å²	13	53.1 Å²	53.1	11%	0.107	26%	0.262	C	S	.	.	H	α-helix	trans	-60.1	-43.9	176.4	0	0	0	0	0	111.4	Y337 I343 C344 H345	Y337-A341 HydrophobicContact CE1-CB 4.17Å; Y337-A341 WeakPolarHBondContact O-CB 3.49Å; Y337-A341 PolarHBondContact O-N 2.94Å; A341-I343 PolarHBondContact O-N 2.89Å; A341-C344 PolarHBondContact O-N 2.94Å; A341-H345 VanDerWaalsContact O-CB 3.31Å; A341-H345 WeakPolarHBondContact O-CB 3.28Å; A341-H345 PolarHBondContact O-CD2 3.19Å; A341-H345 VanDerWaalsContact O-CG 3.28Å; A341-H345 PolarHBondContact O-N 3.04Å
342	Q	75.7	Confident	66.9	Low	74 Å²	74	54.6 Å²	54.6	35%	0.346	28%	0.277	S	S	.	.	H	α-helix	trans	-62.3	-42.5	175.9	-79	168	70.2	0	0	112.4	D338 D339 I340 H346 F448	D338-Q342 WeakPolarHBondContact O-CB 3.07Å; D338-Q342 VanDerWaalsContact O-CG 3.24Å; D338-Q342 WeakPolarHBondContact O-CG 3.39Å; D338-Q342 PolarHBondContact O-N 3.22Å; D338-Q342 VanDerWaalsContact O-N 3.13Å; D338-Q342 PolarHBondContact O-NE2 3.13Å; D339-Q342 PolarHBondContact O-N 3.38Å; I340-Q342 PolarHBondContact O-N 3.45Å; Q342-H346 WeakPolarHBondContact O-CB 3.1Å; Q342-H346 PolarHBondContact O-CD2 3.45Å; Q342-H346 PolarHBondContact O-N 3.02Å; Q342-F448 HydrophobicContact CB-CD1 4.19Å; Q342-F448 HydrophobicContact CB-CE1 3.87Å; Q342-F448 HydrophobicContact CB-CZ 4.08Å; Q342-F448 VanDerWaalsContact OE1-CG 3.24Å
343	I	78.1	Confident	64.6	Low	2 Å²	2	51.4 Å²	51.4	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-61.1	-45.7	176.4	-66.3	158.5	0	0	0	111.2	D339 I340 A341 F448 L450 K483 V484 H487	D339-I343 VanDerWaalsContact O-CD1 3.3Å; D339-I343 WeakPolarHBondContact O-CD1 3.43Å; D339-I343 WeakPolarHBondContact O-CG1 3.4Å; D339-I343 PolarHBondContact O-N 3.07Å; I340-I343 PolarHBondContact O-N 3.32Å; A341-I343 PolarHBondContact O-N 2.89Å; I343-F448 HydrophobicContact CG1-CE1 4.23Å; I343-F448 HydrophobicContact CG1-CZ 4.13Å; I343-L450 HydrophobicContact CG1-CD2 4.02Å; I343-L450 HydrophobicContact CG2-CD2 4.47Å; I343-K483 HydrophobicContact CG2-CB 3.52Å; I343-V484 HydrophobicContact CB-CG2 4.18Å; I343-V484 HydrophobicContact CD1-CG2 4.23Å; I343-V484 HydrophobicContact CG2-CG2 3.76Å; I343-H487 HydrophobicContact CD1-CB 3.61Å
344	C	75.7	Confident	62.3	Low	6 Å²	6	57.1 Å²	57.1	4%	0.041	30%	0.301	C	S	.	.	H	α-helix	trans	-74.9	-33.3	-177.3	-62.7	0	0	0	0	113.3	I340 A341 C541	I340-C344 WeakPolarHBondContact O-CB 3.47Å; I340-C344 PolarHBondContact O-N 3.44Å; I340-C344 PolarHBondContact O-SG 2.76Å; A341-C344 PolarHBondContact O-N 2.94Å; C344-C541 VanDerWaalsContact SG-SG 3.61Å
345	H	68.8	Low	60.2	Low	98 Å²	98	61 Å²	61	45%	0.454	32%	0.315	S	S	.	.	H	α-helix	trans	-80.6	-32.4	177.9	-67.1	-47.9	0	0	0	113.4	A341 A347 S348 L349	A341-H345 VanDerWaalsContact O-CB 3.31Å; A341-H345 WeakPolarHBondContact O-CB 3.28Å; A341-H345 PolarHBondContact O-CD2 3.19Å; A341-H345 VanDerWaalsContact O-CG 3.28Å; A341-H345 PolarHBondContact O-N 3.04Å; H345-A347 VanDerWaalsContact C-N 3.26Å; H345-A347 PolarHBondContact O-N 3.3Å; H345-S348 WeakPolarHBondContact O-CB 3.16Å; H345-S348 PolarHBondContact O-N 3.01Å; H345-L349 PolarHBondContact O-N 3.23Å
346	H	59.8	Low	58.1	Low	95 Å²	95	67 Å²	67	44%	0.44	35%	0.347	S	S	.	.	H	α-helix	trans	-59.5	-39.7	172.7	-99.4	-84.8	0	0	0	111.8	Q342 S348 L349 E350	Q342-H346 WeakPolarHBondContact O-CB 3.1Å; Q342-H346 PolarHBondContact O-CD2 3.45Å; Q342-H346 PolarHBondContact O-N 3.02Å; H346-S348 PolarHBondContact O-N 2.86Å; H346-L349 PolarHBondContact O-N 3.5Å; H346-L349 VanDerWaalsContact O-N 3.07Å; H346-E350 PolarHBondContact O-N 3.02Å
347	A	50.9	Low	56.1	Low	4 Å²	4	68.8 Å²	68.8	3%	0.033	36%	0.363	C	S	.	.	H	α-helix	trans	-58.2	-27.9	174.8	0	0	0	0	0	113.7	H345 N480 K483	H345-A347 VanDerWaalsContact C-N 3.26Å; H345-A347 PolarHBondContact O-N 3.3Å; A347-N480 WeakPolarHBondContact CB-OD1 3.45Å; A347-K483 HydrophobicContact CB-CD 4.36Å
348	S	43.4	Very low	54.4	Low	76 Å²	76	74.1 Å²	74.1	53%	0.531	39%	0.392	S	S	.	.	H	α-helix	trans	-81.4	-22.6	178.2	-171.6	0	0	0	0	113.3	H345 H346	H345-S348 WeakPolarHBondContact O-CB 3.16Å; H345-S348 PolarHBondContact O-N 3.01Å; H346-S348 PolarHBondContact O-N 2.86Å
349	L	39	Very low	52.9	Low	113 Å²	113	78 Å²	78	59%	0.592	41%	0.405	S	S	*	.	H	α-helix	trans	-83.4	-37.8	-178.2	-121.3	78	0	0	0	112.8	H345 H346 S352 T353	H345-L349 PolarHBondContact O-N 3.23Å; H346-L349 PolarHBondContact O-N 3.5Å; H346-L349 VanDerWaalsContact O-N 3.07Å; L349-S352 PolarHBondContact O-N 3.3Å; L349-S352 PolarHBondContact O-OG 2.87Å; L349-T353 PolarHBondContact O-N 3.44Å; L349-T353 PolarHBondContact O-OG1 3.47Å
350	E	39.7	Very low	50.8	Low	117 Å²	117	81.8 Å²	81.8	55%	0.547	44%	0.437	S	S	.	.	H	α-helix	trans	-63.3	-50.3	-176.9	-66.9	174.6	151.7	0	0	110.7	H346 S352 T353	H346-E350 PolarHBondContact O-N 3.02Å; E350-S352 VanDerWaalsContact C-N 3.28Å; E350-S352 PolarHBondContact O-N 3.35Å; E350-T353 PolarHBondContact O-N 3.24Å; E350-T353 PolarHBondContact O-OG1 3.39Å; E350-T353 VanDerWaalsContact O-OG1 3.11Å
351	D	39.2	Very low	48.6	Very low	93 Å²	93	90.6 Å²	90.6	50%	0.497	48%	0.479	S	S	.	.	H	α-helix	trans	-54.6	-42.5	174	-65.3	-20.2	0	0	0	112	T353 Q354 N478	D351-T353 VanDerWaalsContact C-N 3.28Å; D351-T353 PolarHBondContact O-N 3.25Å; D351-Q354 PolarHBondContact O-N 3.32Å; D351-N478 PolarHBondContact OD2-ND2 3.25Å; D351-N478 VanDerWaalsContact OD2-ND2 3.16Å
352	S	35.8	Very low	46.5	Very low	65 Å²	65	98.5 Å²	98.5	46%	0.455	52%	0.516	S	S	.	.	H	α-helix	trans	-67.9	-22.4	-175.2	79.4	0	0	0	0	114.8	L349 E350	L349-S352 PolarHBondContact O-N 3.3Å; L349-S352 PolarHBondContact O-OG 2.87Å; E350-S352 VanDerWaalsContact C-N 3.28Å; E350-S352 PolarHBondContact O-N 3.35Å
353	T	35.7	Very low	44.3	Very low	90 Å²	90	101.3 Å²	101.3	55%	0.552	54%	0.538	S	S	*	.	H	α-helix	trans	-96.5	-15.8	-176.8	50.8	0	0	0	0	113.8	L349 E350 D351	L349-T353 PolarHBondContact O-N 3.44Å; L349-T353 PolarHBondContact O-OG1 3.47Å; E350-T353 PolarHBondContact O-N 3.24Å; E350-T353 PolarHBondContact O-OG1 3.39Å; E350-T353 VanDerWaalsContact O-OG1 3.11Å; D351-T353 VanDerWaalsContact C-N 3.28Å; D351-T353 PolarHBondContact O-N 3.25Å
354	Q	37.5	Very low	42.2	Very low	133 Å²	133	109.5 Å²	109.5	62%	0.621	58%	0.578	S	S	*	*	H	α-helix	trans	-89.8	-33.9	178.7	-119.7	177.9	1.9	0	0	114	D351 N356	D351-Q354 PolarHBondContact O-N 3.32Å; Q354-N356 VanDerWaalsContact C-N 3.28Å; Q354-N356 PolarHBondContact O-N 3.48Å
355	E	37.4	Very low	40.3	Very low	128 Å²	128	118.1 Å²	118.1	60%	0.598	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	-23.1	-174.9	-94.1	-125.1	93	0	0	115.7	K359	E355-K359 PolarHBondContact O-NZ 2.9Å; E355-K359 IonicContact OE1-NZ 2.75Å; E355-K359 PolarHBondContact OE1-NZ 3Å
356	N	38.4	Very low	38.6	Very low	126 Å²	126	118.4 Å²	118.4	67%	0.674	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	-22.4	-175.9	-80.8	-51.4	0	0	0	114.6	Q354	Q354-N356 VanDerWaalsContact C-N 3.28Å; Q354-N356 PolarHBondContact O-N 3.48Å
357	N	38.7	Very low	37.5	Very low	126 Å²	126	121.8 Å²	121.8	67%	0.674	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-29.6	-179.8	-72.2	-18.9	0	0	0	112.6	K359	N357-K359 VanDerWaalsContact C-N 3.33Å; N357-K359 PolarHBondContact O-N 3.01Å
358	N	40.4	Very low	37	Very low	119 Å²	119	128.7 Å²	128.7	64%	0.636	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	0.2	-177.4	-70.4	-7.5	0	0	0	114.9
359	K	40.4	Very low	36.8	Very low	153 Å²	153	132.2 Å²	132.2	67%	0.665	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	0.8	177.8	-80.3	171	-173.1	132.4	0	114.5	E355 N357	E355-K359 PolarHBondContact O-NZ 2.9Å; E355-K359 IonicContact OE1-NZ 2.75Å; E355-K359 PolarHBondContact OE1-NZ 3Å; N357-K359 VanDerWaalsContact C-N 3.33Å; N357-K359 PolarHBondContact O-N 3.01Å
360	A	35.4	Very low	36.8	Very low	86 Å²	86	135.1 Å²	135.1	71%	0.711	72%	0.718	S	S	*	*	S	Bend	trans	-100.4	-25.7	-178.4	0	0	0	0	0	114.8
361	E	35.3	Very low	36.8	Very low	186 Å²	186	137.5 Å²	137.5	87%	0.869	73%	0.727	S	S	*	*	S	Bend	trans	-132.9	39.5	-159.1	-156	161.5	-139.2	0	0	115
362	M	31.9	Very low	36.9	Very low	179 Å²	179	141.6 Å²	141.6	88%	0.882	74%	0.743	S	S	*	*			trans	-135.8	51.4	167	-151.1	171.3	-169.6	0	0	113.4
363	T	29.7	Very low	37.1	Very low	133 Å²	133	147.7 Å²	147.7	82%	0.816	76%	0.761	S	S	*	*			trans	-106.3	83.4	169.1	-56.9	0	0	0	0	110.2
364	M	34	Very low	37.4	Very low	173 Å²	173	151.4 Å²	151.4	85%	0.852	78%	0.778	S	S	*	*	S	Bend	trans	-176	152.3	158.3	-93	-98.6	174.1	0	0	110.6
365	Q	34.2	Very low	37.6	Very low	187 Å²	187	152.9 Å²	152.9	87%	0.874	79%	0.785	S	S	*	*			trans	61.5	83.1	164.9	-65.4	-178.4	-28.7	0	0	119.4
366	A	33.9	Very low	37.8	Very low	104 Å²	104	154.6 Å²	154.6	86%	0.86	80%	0.798	S	S	*	*			trans	-159.6	46	140.7	0	0	0	0	0	112.9	L368	A366-L368 PolarHBondContact O-N 3.28Å
367	D	37	Very low	37.6	Very low	167 Å²	167	152 Å²	152	89%	0.893	80%	0.8	S	S	*	*			trans	-70.6	115.7	163.9	-102.1	-44.8	0	0	0	109
368	L	40.6	Very low	37.7	Very low	149 Å²	149	151.9 Å²	151.9	78%	0.78	81%	0.807	S	S	*	*			trans	174.8	126.1	130.3	-92.2	162.4	0	0	0	112.5	A366	A366-L368 PolarHBondContact O-N 3.28Å
369	E	38	Very low	37.5	Very low	150 Å²	150	152.5 Å²	152.5	70%	0.701	82%	0.815	S	S	*	*			trans	47.9	100.8	150.5	-58.9	-167.2	128.2	0	0	120.2
370	N	39.2	Very low	37.4	Very low	173 Å²	173	150.9 Å²	150.9	93%	0.925	82%	0.823	S	S	*	*				-145.3	151.7	111.6	-115.5	-43.4	0	0	0	113.1
371	K	40.6	Very low	37.4	Very low	168 Å²	168	155.5 Å²	155.5	73%	0.73	83%	0.83	S	S	*	*			trans	-117	132	-178.6	-68.8	165.5	-178	138.5	0	109.6
372	E	40.6	Very low	37.6	Very low	178 Å²	178	151.3 Å²	151.3	83%	0.832	82%	0.819	S	S	*	*				174.7	113.5	122.3	-94.2	173.1	-179.3	0	0	108.7
373	K	40.7	Very low	38	Very low	193 Å²	193	150.2 Å²	150.2	84%	0.839	81%	0.811	S	S	*	*				55.2	93.5	92.7	-73.3	-169.3	172.4	-173.4	0	114.4
374	N	40.5	Very low	38.5	Very low	168 Å²	168	149.8 Å²	149.8	90%	0.898	80%	0.804	S	S	*	*				-150.8	157.8	115.6	-117	-34.2	0	0	0	111.9
375	E	42.9	Very low	38.8	Very low	164 Å²	164	149.3 Å²	149.3	77%	0.766	80%	0.799	S	S	*	*			trans	-112.2	170.9	-172.8	-61.7	174.7	130.6	0	0	111.3
376	N	41.7	Very low	39.1	Very low	165 Å²	165	144.1 Å²	144.1	88%	0.882	79%	0.789	S	S	*	*			trans	74.4	141.1	177.1	-40.9	-80.6	0	0	0	114.5
377	G	34.5	Very low	39.4	Very low	70 Å²	70	145.4 Å²	145.4	72%	0.722	78%	0.781	S	S	*	*			cis	168.5	130.8	-3	0	0	0	0	0	109.6
378	P	40.3	Very low	39.3	Very low	125 Å²	125	143 Å²	143	81%	0.812	77%	0.772	S	S	*	*			trans	-96.9	176.7	-164.3	38.1	-37.5	0	0	0	114.4
379	T	35.5	Very low	39.2	Very low	131 Å²	131	142.2 Å²	142.2	80%	0.804	77%	0.774	S	S	*	*			trans	131.7	107.7	139.8	-53.4	0	0	0	0	114.4
380	S	38.6	Very low	39.3	Very low	119 Å²	119	138.9 Å²	138.9	83%	0.832	77%	0.772	S	S	*	*			trans	-168.9	92.2	140.9	60	0	0	0	0	112.5
381	Q	35.8	Very low	39.2	Very low	183 Å²	183	139.9 Å²	139.9	86%	0.855	77%	0.768	S	S	*	*			trans	-90.9	-172.3	154.5	-115.4	-176.1	4.3	0	0	108.1
382	P	40.5	Very low	39.3	Very low	98 Å²	98	140.8 Å²	140.8	64%	0.636	78%	0.777	S	S	*	*			cis	-133.5	-143.8	-10.5	27.5	-1.2	0	0	0	112
383	E	39.5	Very low	39.1	Very low	156 Å²	156	136 Å²	136	73%	0.729	78%	0.775	S	S	*	*			trans	84.7	135.8	159.1	-60.7	-167.8	-146.1	0	0	118.1
384	N	40.4	Very low	39.1	Very low	125 Å²	125	133.5 Å²	133.5	67%	0.668	77%	0.771	S	S	*	*			cis	-156.4	167.9	-10.7	-92.7	-31.2	0	0	0	107.5
385	H	41	Very low	39	Very low	162 Å²	162	132.9 Å²	132.9	75%	0.75	77%	0.768	S	S	*	*			cis	154	162.2	-16.5	-148.4	-74.1	0	0	0	105.7
386	A	40	Very low	38.8	Very low	79 Å²	79	132.4 Å²	132.4	65%	0.653	77%	0.766	S	S	*	*			trans	79.8	144.3	167.7	0	0	0	0	0	118.5
387	D	39	Very low	38.7	Very low	130 Å²	130	133 Å²	133	70%	0.695	76%	0.76	S	S	*	*			cis	-164	139.3	-18.4	-102.7	-25.5	0	0	0	108
388	T	36.7	Very low	38.8	Very low	116 Å²	116	134.6 Å²	134.6	71%	0.712	76%	0.758	S	S	*	*				106	158	51.9	-64.6	0	0	0	0	111.5
389	V	38.3	Very low	38.6	Very low	134 Å²	134	135.7 Å²	135.7	81%	0.812	76%	0.755	S	S	*	*			trans	87.1	134.1	173.2	-167.8	0	0	0	0	117
390	A	38.9	Very low	38.7	Very low	80 Å²	80	136 Å²	136	66%	0.661	76%	0.758	S	S	*	*			cis	158	140.4	-45.8	0	0	0	0	0	111.7
391	K	38.5	Very low	38.5	Very low	194 Å²	194	137.3 Å²	137.3	84%	0.843	75%	0.753	S	S	*	*			trans	167.6	114.2	151.3	-94.7	155.1	-173.9	178	0	108.8
392	M	40.7	Very low	38.9	Very low	187 Å²	187	136 Å²	136	92%	0.921	75%	0.753	S	S	*	*				75.7	127	65.5	-75.9	-175	163.9	0	0	114.8
393	G	38.4	Very low	38.8	Very low	76 Å²	76	137.5 Å²	137.5	78%	0.784	76%	0.755	S	S	*	*			trans	163.7	74.7	176	0	0	0	0	0	114
394	D	38.8	Very low	38.8	Very low	141 Å²	141	139.2 Å²	139.2	75%	0.754	76%	0.76	S	S	*	*			trans	-84.4	172.4	-172.2	-50.8	-82.8	0	0	0	115.9
395	N	39.4	Very low	38.7	Very low	156 Å²	156	137.7 Å²	137.7	83%	0.834	77%	0.765	S	S	*	*			trans	138.7	102.5	157	-74.1	-49.1	0	0	0	109
396	E	39.1	Very low	38.7	Very low	154 Å²	154	133.9 Å²	133.9	72%	0.72	76%	0.762	S	S	*	*			cis	76.7	99.4	39.7	-150.7	-156.3	-127.7	0	0	114.8
397	K	39.5	Very low	38.7	Very low	177 Å²	177	139.2 Å²	139.2	77%	0.77	77%	0.773	S	S	*	*				173.3	159.1	111.2	-87.9	-168.2	-172.3	-170.3	0	114.5
398	P	37	Very low	38.7	Very low	104 Å²	104	140.4 Å²	140.4	68%	0.675	78%	0.78	S	S	*	*			trans	-143.6	-167.6	-151.2	46.6	-27.4	0	0	0	117
399	I	35.9	Very low	38.7	Very low	147 Å²	147	143.1 Å²	143.1	75%	0.754	78%	0.784	S	S	*	*			trans	68.4	124.1	155.5	-67	165.1	0	0	0	119.3
400	T	36.4	Very low	38.7	Very low	139 Å²	139	141.4 Å²	141.4	85%	0.853	78%	0.778	S	S	*	*				-158.1	144.8	119.5	25.6	0	0	0	0	110.7
401	I	34.8	Very low	38.7	Very low	145 Å²	145	144.5 Å²	144.5	74%	0.744	78%	0.784	S	S	*	*			trans	-122.7	154.3	173.5	-62.4	168.4	0	0	0	106.8
402	D	44.2	Very low	38.7	Very low	157 Å²	157	145.4 Å²	145.4	84%	0.84	78%	0.781	S	S	*	*			trans	-147.4	140.2	161	-132.5	-29.5	0	0	0	110.7
403	D	38.5	Very low	38.6	Very low	128 Å²	128	142 Å²	142	68%	0.684	77%	0.767	S	S	*	*			trans	-106.4	151.7	-166.1	-67.3	-62.1	0	0	0	114.6
404	K	40	Very low	38.6	Very low	192 Å²	192	146 Å²	146	84%	0.835	77%	0.765	S	S	*	*			trans	172.7	133.6	133.3	-89.2	141.8	-158.2	146.1	0	110.6
405	A	38.2	Very low	38.6	Very low	94 Å²	94	147.1 Å²	147.1	78%	0.777	77%	0.766	S	S	*	*			cis	101.3	152.6	25.7	0	0	0	0	0	114.5
406	A	39.3	Very low	38.1	Very low	82 Å²	82	146.3 Å²	146.3	68%	0.678	76%	0.762	S	S	*	*			trans	75.4	113	-163.7	0	0	0	0	0	113.3
407	E	40.3	Very low	37.9	Very low	190 Å²	190	145.2 Å²	145.2	89%	0.888	77%	0.766	S	S	*	*				74.1	131.7	72.1	-67.5	167.1	179.3	0	0	111.2
408	D	40.7	Very low	37.4	Very low	156 Å²	156	143.3 Å²	143.3	83%	0.834	77%	0.769	S	S	*	*			cis	-147.8	-173.3	49.6	-156	-10.8	0	0	0	113.8
409	Q	36.2	Very low	37.2	Very low	173 Å²	173	149.1 Å²	149.1	81%	0.808	78%	0.778	S	S	*	*			trans	-101.6	163.3	-162	-57	-179.2	-5.1	0	0	116.4
410	S	38.8	Very low	36.8	Very low	97 Å²	97	147.3 Å²	147.3	68%	0.678	78%	0.778	S	S	*	*			trans	115.1	116.6	130.5	79.7	0	0	0	0	119.6
411	N	38	Very low	36.8	Very low	146 Å²	146	148.9 Å²	148.9	78%	0.781	78%	0.776	S	S	*	*				66.2	121.4	125.9	-70.1	-16.4	0	0	0	122.3
412	R	39.5	Very low	36.5	Very low	212 Å²	212	148.2 Å²	148.2	80%	0.8	78%	0.779	S	S	*	*				104.3	122.8	127.4	-82.5	-173.7	132.4	124.6	9.4	120.8
413	D	37.5	Very low	36.2	Very low	115 Å²	115	148.2 Å²	148.2	62%	0.615	78%	0.777	S	S	*	*				72.2	104.4	127.7	-52.8	-9	0	0	0	119.7
414	E	38.9	Very low	36	Very low	161 Å²	161	147.3 Å²	147.3	75%	0.752	78%	0.781	S	S	*	*			trans	84.9	140	132.3	-70.8	-169.4	-163.8	0	0	122.6
415	Q	37.5	Very low	35.7	Very low	164 Å²	164	147 Å²	147	77%	0.766	78%	0.782	S	S	*	*			trans	69.2	96.3	151.3	-68.4	171.6	55.5	0	0	119.5
416	D	30.8	Very low	36	Very low	139 Å²	139	148 Å²	148	74%	0.743	78%	0.783	S	S	*	*				47.6	108.4	112.4	-170.4	25.6	0	0	0	118.9
417	T	34.1	Very low	35.9	Very low	131 Å²	131	150.9 Å²	150.9	80%	0.804	79%	0.788	S	S	*	*				-171.8	154.2	116.8	19.8	0	0	0	0	112.6
418	T	28.9	Very low	36	Very low	138 Å²	138	148.7 Å²	148.7	85%	0.847	79%	0.788	S	S	*	*			trans	-69.5	134.2	177.8	47.5	0	0	0	0	113.1
419	R	31.9	Very low	35.8	Very low	225 Å²	225	148.4 Å²	148.4	85%	0.849	79%	0.786	S	S	*	*			trans	-155.5	127.8	155.1	-158.6	166.9	-177.2	151.9	-0.2	113.2
420	S	28.5	Very low	36.3	Very low	110 Å²	110	148 Å²	148	77%	0.769	79%	0.789	S	S	*	*			trans	-87.7	146.9	168.2	-43.5	0	0	0	0	110.4
421	E	36.5	Very low	36.6	Very low	171 Å²	171	150.9 Å²	150.9	80%	0.799	80%	0.797	S	S	*	*			trans	-127.8	142.6	163.1	-68.9	-161.3	143.1	0	0	110.7
422	T	29.4	Very low	37.1	Very low	132 Å²	132	152 Å²	152	81%	0.81	80%	0.803	S	S	*	*			trans	-123.6	129	-174.4	49	0	0	0	0	110.1
423	I	36.9	Very low	37.3	Very low	157 Å²	157	150.4 Å²	150.4	81%	0.805	81%	0.805	S	S	*	*			trans	-147.7	133.8	176.4	-56.1	177.9	0	0	0	106.9
424	S	35.4	Very low	37.7	Very low	108 Å²	108	154.6 Å²	154.6	76%	0.755	82%	0.82	S	S	*	*			cis	-160.1	164	-21.4	-96.1	0	0	0	0	107.7
425	E	33.5	Very low	37.4	Very low	185 Å²	185	152.5 Å²	152.5	86%	0.864	82%	0.823	S	S	*	*			trans	-74.3	158.4	-179.9	-62.6	146.3	142.4	0	0	113.3
426	S	43.1	Very low	37.5	Very low	115 Å²	115	149.6 Å²	149.6	80%	0.804	82%	0.821	S	S	*	*			trans	-153.3	121.7	156.7	65.4	0	0	0	0	110
427	D	36.9	Very low	37.4	Very low	144 Å²	144	150.5 Å²	150.5	77%	0.77	83%	0.826	S	S	*	*			trans	-78.2	153.5	-167.5	-38.4	-91	0	0	0	114.4
428	T	43.1	Very low	37.4	Very low	144 Å²	144	153.5 Å²	153.5	88%	0.883	83%	0.831	S	S	*	*			trans	-153.5	122.5	140.7	25.1	0	0	0	0	108.9
429	D	37.5	Very low	37.8	Very low	149 Å²	149	156.4 Å²	156.4	80%	0.797	84%	0.835	S	S	*	*			trans	-73.4	152.7	170.7	-45.3	-87.4	0	0	0	111.8
430	D	46.9	Very low	37.8	Very low	164 Å²	164	149 Å²	149	88%	0.877	83%	0.828	S	S	*	*			trans	-165.7	144.9	131.5	-104.6	-25.8	0	0	0	109.1
431	D	44.9	Very low	37.8	Very low	158 Å²	158	148.4 Å²	148.4	85%	0.845	83%	0.83	S	S	*	*			trans	-77.8	140.2	-170.2	-57.3	-74.7	0	0	0	114.2
432	D	48.6	Very low	37.7	Very low	170 Å²	170	147.5 Å²	147.5	91%	0.909	83%	0.831	S	S	*	*			trans	-159.1	131.9	138.7	-123.4	-24.5	0	0	0	112.2
433	E	42.5	Very low	37.7	Very low	179 Å²	179	148.7 Å²	148.7	84%	0.836	83%	0.832	S	S	*	*			trans	-87.3	107.7	-175.2	-68.3	-173.6	155.6	0	0	112.7
434	H	45.1	Very low	37.5	Very low	202 Å²	202	148.7 Å²	148.7	94%	0.935	83%	0.829	S	S	*	*			trans	-162	105.7	148.4	-90.4	-22.6	0	0	0	112.7
435	S	34.2	Very low	37.1	Very low	117 Å²	117	152.6 Å²	152.6	82%	0.818	84%	0.835	S	S	*	*			trans	-95.5	127.8	177.6	48.4	0	0	0	0	113.3
436	S	38.1	Very low	36.9	Very low	104 Å²	104	149 Å²	149	73%	0.727	83%	0.826	S	S	*	*			trans	-168.6	97.1	140.8	3.7	0	0	0	0	110.9
437	D	30	Very low	36.2	Very low	158 Å²	158	147.8 Å²	147.8	85%	0.845	82%	0.823	S	S	*	*			trans	51.7	68.6	141.6	-44	-21.4	0	0	0	118.3
438	E	34.1	Very low	36.2	Very low	194 Å²	194	143.8 Å²	143.8	91%	0.907	80%	0.799	S	S	*	*			trans	-86.5	110.8	147.3	-69.9	-159.4	150.4	0	0	108.8	G440	E438-G440 PolarHBondContact O-N 2.94Å
439	E	37.4	Very low	36.3	Very low	199 Å²	199	147.5 Å²	147.5	93%	0.93	80%	0.796	S	S	*	*			trans	-64.8	120.2	166.1	-71.5	-175	139.7	0	0	108.7
440	G	31.2	Very low	37.2	Very low	69 Å²	69	143.4 Å²	143.4	71%	0.711	77%	0.774	S	S	*	*			trans	-63.5	151.2	-169.7	0	0	0	0	0	113.8	E438 D442	E438-G440 PolarHBondContact O-N 2.94Å; G440-D442 PolarHBondContact O-N 3.1Å
441	A	29.6	Very low	38.1	Very low	97 Å²	97	144.5 Å²	144.5	80%	0.802	77%	0.766	S	S	*	*			trans	-68.3	115.9	175.8	0	0	0	0	0	111	N443	A441-N443 PolarHBondContact O-N 3.15Å
442	D	34.2	Very low	39.7	Very low	152 Å²	152	139.1 Å²	139.1	81%	0.813	74%	0.737	S	S	*	*			trans	-55.1	134.2	166	-84.7	-41.6	0	0	0	110.2	G440 E444	G440-D442 PolarHBondContact O-N 3.1Å; D442-E444 VanDerWaalsContact C-N 3.31Å; D442-E444 PolarHBondContact O-N 3.1Å
443	N	29.1	Very low	41.2	Very low	158 Å²	158	131.5 Å²	131.5	85%	0.845	70%	0.696	S	S	*	*			trans	-73.4	82.6	177.8	-76.2	-62.9	0	0	0	110.4	A441 H445	A441-N443 PolarHBondContact O-N 3.15Å; N443-H445 PolarHBondContact O-N 2.88Å
444	E	31.4	Very low	43.1	Very low	156 Å²	156	128.8 Å²	128.8	73%	0.729	68%	0.684	S	S	*	*			trans	-68.2	57	172.2	-71.5	-165.4	135.1	0	0	112.6	D442	D442-E444 VanDerWaalsContact C-N 3.31Å; D442-E444 PolarHBondContact O-N 3.1Å
445	H	27.7	Very low	44.9	Very low	190 Å²	190	123.8 Å²	123.8	88%	0.88	66%	0.661	S	S	*	*			trans	-94.8	34	150.7	-77.6	-22.5	0	0	0	110.8	N443 A447	N443-H445 PolarHBondContact O-N 2.88Å; H445-A447 PolarHBondContact O-N 3.03Å; H445-A447 VanDerWaalsContact O-N 3.09Å
446	T	28.4	Very low	47.3	Very low	110 Å²	110	123.3 Å²	123.3	68%	0.675	66%	0.657	S	S	*	*			trans	-66.6	98.7	165.6	30.4	0	0	0	0	109.4	F448	T446-F448 PolarHBondContact O-N 2.84Å
447	A	29.9	Very low	49.5	Very low	90 Å²	90	123 Å²	123	74%	0.744	64%	0.644	S	S	*	*			trans	-51.9	138.5	171.2	0	0	0	0	0	110.6	H445 R449	H445-A447 PolarHBondContact O-N 3.03Å; H445-A447 VanDerWaalsContact O-N 3.09Å; A447-R449 VanDerWaalsContact C-N 3.33Å; A447-R449 PolarHBondContact O-N 3.16Å
448	F	35.5	Very low	52.2	Low	60 Å²	60	116.8 Å²	116.8	26%	0.263	61%	0.613	S	S	.	*			trans	-66.4	88.1	-178.4	-179.1	-100.5	0	0	0	110.9	D339 Q342 I343 T446 L450 H487	D339-F448 HydrophobicContact CB-CE2 4.21Å; D339-F448 HydrophobicContact CB-CZ 4.32Å; Q342-F448 HydrophobicContact CB-CD1 4.19Å; Q342-F448 HydrophobicContact CB-CE1 3.87Å; Q342-F448 HydrophobicContact CB-CZ 4.08Å; Q342-F448 VanDerWaalsContact OE1-CG 3.24Å; I343-F448 HydrophobicContact CG1-CE1 4.23Å; I343-F448 HydrophobicContact CG1-CZ 4.13Å; T446-F448 PolarHBondContact O-N 2.84Å; F448-L450 HydrophobicContact CD1-CD1 4.41Å; F448-L450 HydrophobicContact CE1-CD1 4.15Å; F448-L450 HydrophobicContact CE1-CG 3.98Å; F448-L450 PolarHBondContact O-N 3.32Å; F448-H487 AromaticContact CE2-CE1 3.82Å; F448-H487 AromaticContact CZ-CE1 3.47Å; F448-H487 VanDerWaalsContact CZ-CE1 3.47Å; F448-H487 WeakPolarHBondContact CZ-CE1 3.5Å; F448-H487 AromaticContact CZ-ND1 3.98Å
449	R	45.1	Very low	54.8	Low	222 Å²	222	113.8 Å²	113.8	84%	0.838	60%	0.603	S	S	*	*			trans	-72.7	115.4	163.3	-100.9	-177	170.5	-173	-5.5	108.1	A447 R451	A447-R449 VanDerWaalsContact C-N 3.33Å; A447-R449 PolarHBondContact O-N 3.16Å; R449-R451 PolarHBondContact O-N 3.41Å
450	L	58.1	Low	57.4	Low	62 Å²	62	105.5 Å²	105.5	33%	0.325	57%	0.567	S	S	.	*			trans	-51.6	131.2	160.6	-81.4	102.5	0	0	0	108.5	I343 F448 I452	I343-L450 HydrophobicContact CG1-CD2 4.02Å; I343-L450 HydrophobicContact CG2-CD2 4.47Å; F448-L450 HydrophobicContact CD1-CD1 4.41Å; F448-L450 HydrophobicContact CE1-CD1 4.15Å; F448-L450 HydrophobicContact CE1-CG 3.98Å; F448-L450 PolarHBondContact O-N 3.32Å; L450-I452 HydrophobicContact CB-CD1 4.48Å; L450-I452 HydrophobicContact CB-CG1 4.22Å; L450-I452 HydrophobicContact CD2-CD1 3.78Å; L450-I452 HydrophobicContact CD2-CG1 4.29Å; L450-I452 PolarHBondContact O-N 3.23Å
451	R	64.8	Low	60.2	Low	188 Å²	188	108 Å²	108	71%	0.709	56%	0.56	S	S	*	*			trans	-80.5	32.6	179.1	-66.9	-177.9	172.5	-173.7	-2.9	112.9	R449	R449-R451 PolarHBondContact O-N 3.41Å
452	I	79.2	Confident	63.2	Low	45 Å²	45	106.9 Å²	106.9	23%	0.231	54%	0.539	C	S	.	.	P	Polyproline II helix	trans	-83.6	117.8	172	-57.5	-176.9	0	0	0	105.6	L450 Q486 Y492	L450-I452 HydrophobicContact CB-CD1 4.48Å; L450-I452 HydrophobicContact CB-CG1 4.22Å; L450-I452 HydrophobicContact CD2-CD1 3.78Å; L450-I452 HydrophobicContact CD2-CG1 4.29Å; L450-I452 PolarHBondContact O-N 3.23Å; I452-Q486 HydrophobicContact CD1-CB 3.75Å; I452-Q486 HydrophobicContact CG1-CB 3.87Å; I452-Y492 HydrophobicContact CG2-CD2 4.06Å
453	P	80.4	Confident	65.9	Low	9 Å²	9	102.9 Å²	102.9	6%	0.058	53%	0.527	C	S	.	.	P	Polyproline II helix	trans	-63.1	149.6	176.2	28.5	-34.9	0	0	0	109.8	E457 I515	P453-E457 WeakPolarHBondContact CA-OE2 3.44Å; P453-E457 HydrophobicContact CB-CB 4.26Å; P453-I515 HydrophobicContact CB-CD1 4.32Å; P453-I515 HydrophobicContact CB-CG1 4.13Å
454	Q	81.5	Confident	68.8	Low	122 Å²	122	97.2 Å²	97.2	57%	0.57	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-66.4	151.6	166.8	-58.9	-164.8	-23.7	0	0	109.3	S456 E457 C458	Q454-S456 PolarHBondContact O-N 3.33Å; Q454-S456 VanDerWaalsContact O-N 3.17Å; Q454-E457 HydrophobicContact CB-CG 4.08Å; Q454-E457 PolarHBondContact N-OE2 3.08Å; Q454-E457 WeakPolarHBondContact O-CB 3.48Å; Q454-E457 PolarHBondContact O-N 2.91Å; Q454-C458 PolarHBondContact O-SG 3.11Å; Q454-C458 VanDerWaalsContact O-SG 3.37Å
455	E	83.2	Confident	71.4	Confident	98 Å²	98	94 Å²	94	46%	0.458	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-57.9	-32.7	177.5	-178.9	167.3	-152.7	0	0	111.7	E457 C458 Y492 K513	E455-E457 VanDerWaalsContact C-N 3.26Å; E455-E457 PolarHBondContact O-N 2.7Å; E455-C458 WeakPolarHBondContact O-CB 3.34Å; E455-C458 PolarHBondContact O-N 2.85Å; E455-Y492 HydrophobicContact CB-CD1 4.43Å; E455-Y492 HydrophobicContact CB-CE1 4.32Å; E455-K513 HydrophobicContact CG-CD 4.09Å; E455-K513 VanDerWaalsContact OE1-CE 3.24Å; E455-K513 WeakPolarHBondContact OE1-CE 3.5Å; E455-K513 IonicContact OE1-NZ 3.11Å; E455-K513 PolarHBondContact OE1-NZ 2.88Å
456	S	84.4	Confident	74.1	Confident	106 Å²	106	85.5 Å²	85.5	74%	0.741	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-68	-13.6	172.8	44.8	0	0	0	0	115.5	Q454	Q454-S456 PolarHBondContact O-N 3.33Å; Q454-S456 VanDerWaalsContact O-N 3.17Å
457	E	83.7	Confident	76.8	Confident	98 Å²	98	84 Å²	84	46%	0.458	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-95.1	-7.7	176.2	-62.9	171	156.7	0	0	112	P453 Q454 E455	P453-E457 WeakPolarHBondContact CA-OE2 3.44Å; P453-E457 HydrophobicContact CB-CB 4.26Å; Q454-E457 HydrophobicContact CB-CG 4.08Å; Q454-E457 PolarHBondContact N-OE2 3.08Å; Q454-E457 WeakPolarHBondContact O-CB 3.48Å; Q454-E457 PolarHBondContact O-N 2.91Å; E455-E457 VanDerWaalsContact C-N 3.26Å; E455-E457 PolarHBondContact O-N 2.7Å
458	C	87.5	Confident	79.3	Confident	27 Å²	27	85.1 Å²	85.1	18%	0.182	43%	0.429	C	S	.	.			trans	-88.4	126.1	-174.2	-63.6	0	0	0	0	112.4	Q454 E455 K513 A514	Q454-C458 PolarHBondContact O-SG 3.11Å; Q454-C458 VanDerWaalsContact O-SG 3.37Å; E455-C458 WeakPolarHBondContact O-CB 3.34Å; E455-C458 PolarHBondContact O-N 2.85Å; C458-K513 HydrophobicContact CB-CB 3.89Å; C458-A514 CarbonylContact C-O 3.59Å; C458-A514 WeakPolarHBondContact CA-O 3.28Å; C458-A514 WeakPolarHBondContact CB-O 3.42Å
459	N	89.5	Confident	81.5	Confident	132 Å²	132	87.2 Å²	87.2	71%	0.706	44%	0.439	S	S	*	.			trans	-106.9	-8.1	177.8	-48.9	-77.2	0	0	0	113	A514 I515	N459-A514 PolarHBondContact N-O 3.36Å; N459-I515 WeakPolarHBondContact CB-O 3.08Å; N459-I515 PolarHBondContact ND2-O 2.84Å
460	S	90.4	Very high	83.4	Confident	25 Å²	25	77.3 Å²	77.3	18%	0.175	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	144	-177.5	-55.7	0	0	0	0	110.3	K513 A514 E517	S460-K513 CarbonylContact O-C 3.59Å; S460-K513 WeakPolarHBondContact O-CA 3.46Å; S460-A514 PolarHBondContact N-O 3.11Å; S460-A514 PolarHBondContact O-N 2.96Å; S460-E517 PolarHBondContact OG-N 2.97Å
461	E	91.9	Very high	84.5	Confident	120 Å²	120	76.6 Å²	76.6	56%	0.561	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.3	133.1	-177.7	-179.8	168.3	146.3	0	0	110.4	V511 I512 K513	E461-V511 HydrophobicContact CG-CG1 3.57Å; E461-V511 WeakPolarHBondContact OE1-CG1 3.47Å; E461-I512 CarbonylContact C-O 3.54Å; E461-I512 WeakPolarHBondContact CA-O 3.47Å; E461-K513 HydrophobicContact CB-CG 4.43Å; E461-K513 VanDerWaalsContact CD-CE 3.49Å; E461-K513 HydrophobicContact CG-CD 4.48Å; E461-K513 HydrophobicContact CG-CG 4.05Å; E461-K513 IonicContact OE1-NZ 3.16Å; E461-K513 WeakPolarHBondContact OE2-CD 3.49Å; E461-K513 WeakPolarHBondContact OE2-CE 3.45Å; E461-K513 IonicContact OE2-NZ 2.71Å; E461-K513 PolarHBondContact OE2-NZ 3.22Å
462	E	92.4	Very high	85.2	Confident	75 Å²	75	74 Å²	74	35%	0.35	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	130.3	173.6	-170.9	-178.7	167.1	0	0	110.8	I464 I512 I520 K524	E462-I464 HydrophobicContact CG-CG1 4.46Å; E462-I512 PolarHBondContact N-O 3.49Å; E462-I512 PolarHBondContact O-N 3.39Å; E462-I520 HydrophobicContact CB-CD1 4.46Å; E462-I520 HydrophobicContact CB-CG2 3.84Å; E462-I520 WeakPolarHBondContact OE2-CG2 3.44Å; E462-K524 WeakPolarHBondContact OE1-CE 3.43Å; E462-K524 IonicContact OE1-NZ 2.7Å; E462-K524 PolarHBondContact OE1-NZ 3.4Å; E462-K524 VanDerWaalsContact OE2-CD 3.29Å; E462-K524 WeakPolarHBondContact OE2-CD 3.4Å; E462-K524 WeakPolarHBondContact OE2-CE 3.49Å; E462-K524 IonicContact OE2-NZ 2.74Å; E462-K524 PolarHBondContact OE2-NZ 3.02Å
463	A	89.4	Confident	85.4	Confident	68 Å²	68	72.7 Å²	72.7	56%	0.562	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	128.8	177.2	0	0	0	0	0	111.5	V511	A463-V511 HydrophobicContact CB-CG2 4.09Å
464	I	89.7	Confident	85.5	Confident	39 Å²	39	72.3 Å²	72.3	20%	0.2	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	124.1	-174.9	-51.9	179	0	0	0	109.5	E462 M466 M470 T509 L510 I512 K524	E462-I464 HydrophobicContact CG-CG1 4.46Å; I464-M466 PolarHBondContact O-N 3.4Å; I464-M470 HydrophobicContact CG2-CE 4.18Å; I464-T509 CarbonylContact O-C 3.13Å; I464-T509 WeakPolarHBondContact O-CA 3.47Å; I464-L510 PolarHBondContact N-O 3.36Å; I464-L510 PolarHBondContact O-N 3.05Å; I464-I512 HydrophobicContact CD1-CD1 3.73Å; I464-I512 HydrophobicContact CD1-CG1 4.43Å; I464-K524 HydrophobicContact CD1-CD 3.93Å; I464-K524 HydrophobicContact CD1-CG 3.55Å
465	V	86.4	Confident	85.2	Confident	88 Å²	88	69 Å²	69	53%	0.533	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	118.9	174.6	-178.1	0	0	0	0	109.5	K507 T509	V465-K507 HydrophobicContact CG1-CB 3.81Å; V465-K507 HydrophobicContact CG1-CD 3.87Å; V465-K507 HydrophobicContact CG1-CG 4.49Å; V465-T509 HydrophobicContact CG2-CG2 4.2Å
466	M	85.6	Confident	84.5	Confident	11 Å²	11	68.8 Å²	68.8	5%	0.054	37%	0.373	C	S	.	.			trans	-75.5	147.2	179.7	-56.4	-179.9	74.2	0	0	110.6	I464 M470 I471 L474 V475 F495 P508 L510	I464-M466 PolarHBondContact O-N 3.4Å; M466-M470 HydrophobicContact CB-CB 4.3Å; M466-M470 HydrophobicContact CB-CE 4.47Å; M466-M470 HydrophobicContact CE-CB 4.25Å; M466-M470 HydrophobicContact CG-CE 4.22Å; M466-I471 HydrophobicContact CB-CG1 3.97Å; M466-I471 HydrophobicContact CE-CB 4.44Å; M466-I471 HydrophobicContact CE-CG1 3.98Å; M466-I471 HydrophobicContact SD-CG1 4.42Å; M466-L474 HydrophobicContact CE-CB 4.46Å; M466-L474 HydrophobicContact CE-CD1 4.3Å; M466-V475 HydrophobicContact CE-CG2 4.33Å; M466-F495 HydrophobicContact CE-CD1 4.04Å; M466-F495 HydrophobicContact CE-CE1 3.87Å; M466-F495 HydrophobicContact SD-CD1 3.99Å; M466-F495 HydrophobicContact SD-CE1 4.39Å; M466-P508 HydrophobicContact CB-CG 4.36Å; M466-P508 WeakPolarHBondContact CB-O 3.19Å; M466-P508 PolarHBondContact N-O 3.11Å; M466-P508 HydrophobicContact SD-CB 4.37Å; M466-L510 HydrophobicContact CG-CB 3.85Å; M466-L510 HydrophobicContact SD-CB 4.04Å
467	N	85	Confident	83.4	Confident	79 Å²	79	65.9 Å²	65.9	42%	0.422	36%	0.36	S	S	.	.			trans	-106.4	164.9	164.1	64.1	58.4	0	0	0	110.2	H469 M470 I471	N467-H469 PolarHBondContact O-N 2.92Å; N467-H469 WeakPolarHBondContact OD1-CA 3.15Å; N467-H469 VanDerWaalsContact OD1-CB 3.29Å; N467-H469 WeakPolarHBondContact OD1-CB 3.43Å; N467-H469 PolarHBondContact OD1-N 2.93Å; N467-M470 WeakPolarHBondContact O-CA 2.93Å; N467-M470 WeakPolarHBondContact O-CB 3.41Å; N467-M470 PolarHBondContact O-N 2.95Å; N467-M470 PolarHBondContact OD1-N 3.44Å; N467-I471 WeakPolarHBondContact O-CG1 3.17Å; N467-I471 PolarHBondContact O-N 3.08Å
468	D	81.4	Confident	82.6	Confident	114 Å²	114	66 Å²	66	61%	0.61	36%	0.364	S	S	*	.	H	α-helix	trans	-48	-33.2	179.8	-59.4	27.7	0	0	0	114.2	K472	D468-K472 WeakPolarHBondContact O-CB 3.24Å; D468-K472 WeakPolarHBondContact O-CD 3.3Å; D468-K472 WeakPolarHBondContact O-CG 3.4Å; D468-K472 PolarHBondContact O-N 3.1Å
469	H	81.7	Confident	82.1	Confident	104 Å²	104	65.5 Å²	65.5	48%	0.481	36%	0.363	S	S	.	.	H	α-helix	trans	-78.3	-35.2	179.8	-161.8	-57.5	0	0	0	111.8	N467 L473	N467-H469 PolarHBondContact O-N 2.92Å; N467-H469 WeakPolarHBondContact OD1-CA 3.15Å; N467-H469 VanDerWaalsContact OD1-CB 3.29Å; N467-H469 WeakPolarHBondContact OD1-CB 3.43Å; N467-H469 PolarHBondContact OD1-N 2.93Å; H469-L473 WeakPolarHBondContact O-CB 3.25Å; H469-L473 PolarHBondContact O-N 2.81Å
470	M	85	Confident	81.8	Confident	14 Å²	14	60.4 Å²	60.4	7%	0.069	34%	0.336	C	S	.	.	H	α-helix	trans	-66.7	-41.1	170.1	-70.1	171.3	61.7	0	0	111.4	I464 M466 N467 L473 L474 L510 I527 T531	I464-M470 HydrophobicContact CG2-CE 4.18Å; M466-M470 HydrophobicContact CB-CB 4.3Å; M466-M470 HydrophobicContact CB-CE 4.47Å; M466-M470 HydrophobicContact CE-CB 4.25Å; M466-M470 HydrophobicContact CG-CE 4.22Å; N467-M470 WeakPolarHBondContact O-CA 2.93Å; N467-M470 WeakPolarHBondContact O-CB 3.41Å; N467-M470 PolarHBondContact O-N 2.95Å; N467-M470 PolarHBondContact OD1-N 3.44Å; M470-L473 PolarHBondContact O-N 3.38Å; M470-L474 HydrophobicContact CB-CD1 4.46Å; M470-L474 VanDerWaalsContact O-CB 3.26Å; M470-L474 WeakPolarHBondContact O-CB 3.45Å; M470-L474 VanDerWaalsContact O-CG 3.27Å; M470-L474 WeakPolarHBondContact O-CG 3.4Å; M470-L474 PolarHBondContact O-N 2.76Å; M470-L510 HydrophobicContact CE-CD2 4.45Å; M470-I527 HydrophobicContact CE-CG2 4.17Å; M470-I527 HydrophobicContact CG-CG2 4.15Å; M470-I527 HydrophobicContact SD-CG2 4.41Å; M470-T531 HydrophobicContact CG-CG2 4.02Å
471	I	80.8	Confident	81.6	Confident	46 Å²	46	60 Å²	60	24%	0.236	33%	0.332	C	S	.	.	H	α-helix	trans	-61.5	-51.9	176.7	-57.2	165.9	0	0	0	109.6	M466 N467 L473 L474 V475 P508	M466-I471 HydrophobicContact CB-CG1 3.97Å; M466-I471 HydrophobicContact CE-CB 4.44Å; M466-I471 HydrophobicContact CE-CG1 3.98Å; M466-I471 HydrophobicContact SD-CG1 4.42Å; N467-I471 WeakPolarHBondContact O-CG1 3.17Å; N467-I471 PolarHBondContact O-N 3.08Å; I471-L473 PolarHBondContact O-N 2.87Å; I471-L474 PolarHBondContact O-N 2.85Å; I471-V475 HydrophobicContact CG2-CB 4.48Å; I471-V475 HydrophobicContact CG2-CG2 4.24Å; I471-V475 WeakPolarHBondContact O-CB 3.48Å; I471-V475 PolarHBondContact O-N 3.17Å; I471-P508 HydrophobicContact CD1-CG 3.56Å; I471-P508 HydrophobicContact CG1-CG 4.23Å
472	K	80.3	Confident	81.4	Confident	133 Å²	133	54.4 Å²	54.4	58%	0.578	31%	0.306	S	S	*	.	H	α-helix	trans	-62.7	-28.2	178.7	-71.8	166.6	-167.1	168.1	0	113.8	D468 N476	D468-K472 WeakPolarHBondContact O-CB 3.24Å; D468-K472 WeakPolarHBondContact O-CD 3.3Å; D468-K472 WeakPolarHBondContact O-CG 3.4Å; D468-K472 PolarHBondContact O-N 3.1Å; K472-N476 WeakPolarHBondContact O-CB 3.23Å
473	L	82.5	Confident	81	Confident	18 Å²	18	53.8 Å²	53.8	9%	0.094	30%	0.302	C	S	.	.	H	α-helix	trans	-82.7	-40.9	178.4	179.9	75.2	0	0	0	112.6	H469 M470 I471 I481 L530 T531	H469-L473 WeakPolarHBondContact O-CB 3.25Å; H469-L473 PolarHBondContact O-N 2.81Å; M470-L473 PolarHBondContact O-N 3.38Å; I471-L473 PolarHBondContact O-N 2.87Å; L473-I481 HydrophobicContact CD1-CD1 3.8Å; L473-I481 HydrophobicContact CD1-CG2 4.03Å; L473-I481 HydrophobicContact CG-CG2 4.04Å; L473-I481 WeakPolarHBondContact O-CB 3.45Å; L473-L530 HydrophobicContact CD1-CB 4.19Å; L473-L530 HydrophobicContact CD2-CB 3.49Å; L473-L530 VanDerWaalsContact CD2-CB 3.49Å; L473-L530 HydrophobicContact CD2-CD1 4.03Å; L473-L530 HydrophobicContact CD2-CG 4.42Å; L473-L530 HydrophobicContact CG-CB 4.45Å; L473-T531 HydrophobicContact CD2-CG2 3.71Å
474	L	83.2	Confident	80.9	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-99.5	-21.8	-167.1	-59.5	179.1	0	0	0	114	M466 M470 I471 G479 I481 I485 F495 L510 I527	M466-L474 HydrophobicContact CE-CB 4.46Å; M466-L474 HydrophobicContact CE-CD1 4.3Å; M470-L474 HydrophobicContact CB-CD1 4.46Å; M470-L474 VanDerWaalsContact O-CB 3.26Å; M470-L474 WeakPolarHBondContact O-CB 3.45Å; M470-L474 VanDerWaalsContact O-CG 3.27Å; M470-L474 WeakPolarHBondContact O-CG 3.4Å; M470-L474 PolarHBondContact O-N 2.76Å; I471-L474 PolarHBondContact O-N 2.85Å; L474-G479 WeakPolarHBondContact O-CA 3.42Å; L474-I481 HydrophobicContact CD2-CG2 4.47Å; L474-I485 HydrophobicContact CD2-CD1 3.42Å; L474-I485 VanDerWaalsContact CD2-CD1 3.42Å; L474-F495 HydrophobicContact CB-CE1 4.03Å; L474-F495 HydrophobicContact CB-CZ 4.17Å; L474-L510 HydrophobicContact CD1-CD2 3.82Å; L474-I527 HydrophobicContact CD1-CD1 4.19Å; L474-I527 HydrophobicContact CD1-CG1 4.39Å
475	V	74.8	Confident	81	Confident	54 Å²	54	48.7 Å²	48.7	33%	0.327	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-43.3	-175.8	-172	0	0	0	0	111.6	M466 I471 G479 F495 I498	M466-V475 HydrophobicContact CE-CG2 4.33Å; I471-V475 HydrophobicContact CG2-CB 4.48Å; I471-V475 HydrophobicContact CG2-CG2 4.24Å; I471-V475 WeakPolarHBondContact O-CB 3.48Å; I471-V475 PolarHBondContact O-N 3.17Å; V475-G479 PolarHBondContact O-N 3.18Å; V475-F495 HydrophobicContact CG2-CD1 4.08Å; V475-F495 HydrophobicContact CG2-CE1 3.85Å; V475-I498 HydrophobicContact CG2-CD1 3.95Å
476	N	68.6	Low	81.1	Confident	92 Å²	92	45.3 Å²	45.3	49%	0.492	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	157.9	176.9	-57	-2.3	0	0	0	111.2	K472	K472-N476 WeakPolarHBondContact O-CB 3.23Å
477	G	61.7	Low	81.2	Confident	45 Å²	45	45.3 Å²	45.3	46%	0.464	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	46	-177.1	0	0	0	0	0	112.5	G479 N480	G477-G479 PolarHBondContact O-N 3.01Å; G477-N480 VanDerWaalsContact O-CB 3.3Å; G477-N480 WeakPolarHBondContact O-CB 3.27Å; G477-N480 PolarHBondContact O-N 3.14Å
478	N	66.9	Low	81.4	Confident	102 Å²	102	42.9 Å²	42.9	55%	0.545	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	28.1	-177.8	-61.7	34	0	0	0	113.9	D351 N480	D351-N478 PolarHBondContact OD2-ND2 3.25Å; D351-N478 VanDerWaalsContact OD2-ND2 3.16Å; N478-N480 PolarHBondContact O-N 3.46Å
479	G	77.3	Confident	81.8	Confident	15 Å²	15	37.6 Å²	37.6	16%	0.155	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	62	16.3	-174.7	0	0	0	0	0	114.7	L474 V475 G477 I481 G482 K483	L474-G479 WeakPolarHBondContact O-CA 3.42Å; V475-G479 PolarHBondContact O-N 3.18Å; G477-G479 PolarHBondContact O-N 3.01Å; G479-I481 VanDerWaalsContact C-N 3.3Å; G479-I481 PolarHBondContact O-N 3.25Å; G479-G482 CarbonylContact O-C 3.59Å; G479-G482 WeakPolarHBondContact O-CA 3.48Å; G479-G482 PolarHBondContact O-N 3.23Å; G479-K483 PolarHBondContact O-N 3.33Å
480	N	82.6	Confident	82.1	Confident	26 Å²	26	33.2 Å²	33.2	14%	0.139	19%	0.185	C	C	.	.	H	α-helix	trans	-55.9	-42.7	-173.4	-81.2	-18.6	0	0	0	112.5	A347 G477 N478 G482 K483 V484	A347-N480 WeakPolarHBondContact CB-OD1 3.45Å; G477-N480 VanDerWaalsContact O-CB 3.3Å; G477-N480 WeakPolarHBondContact O-CB 3.27Å; G477-N480 PolarHBondContact O-N 3.14Å; N478-N480 PolarHBondContact O-N 3.46Å; N480-G482 VanDerWaalsContact C-N 3.33Å; N480-G482 PolarHBondContact O-N 3.29Å; N480-K483 PolarHBondContact O-N 3.12Å; N480-V484 VanDerWaalsContact O-CG2 3.31Å; N480-V484 WeakPolarHBondContact O-CG2 3.43Å; N480-V484 PolarHBondContact O-N 2.91Å
481	I	86.1	Confident	82.4	Confident	17 Å²	17	32.6 Å²	32.6	9%	0.087	18%	0.181	C	C	.	.	H	α-helix	trans	-63.4	-40.7	175.7	-59.6	179.1	0	0	0	110.8	L473 L474 G479 V484 I485 L530 I537 E538	L473-I481 HydrophobicContact CD1-CD1 3.8Å; L473-I481 HydrophobicContact CD1-CG2 4.03Å; L473-I481 HydrophobicContact CG-CG2 4.04Å; L473-I481 WeakPolarHBondContact O-CB 3.45Å; L474-I481 HydrophobicContact CD2-CG2 4.47Å; G479-I481 VanDerWaalsContact C-N 3.3Å; G479-I481 PolarHBondContact O-N 3.25Å; I481-V484 PolarHBondContact O-N 2.88Å; I481-I485 HydrophobicContact CG2-CD1 4.25Å; I481-I485 WeakPolarHBondContact O-CG1 3.49Å; I481-I485 PolarHBondContact O-N 3.28Å; I481-L530 HydrophobicContact CG2-CD1 3.81Å; I481-I537 HydrophobicContact CB-CG2 4.46Å; I481-I537 HydrophobicContact CD1-CG2 4.18Å; I481-I537 HydrophobicContact CG1-CG2 4.04Å; I481-I537 HydrophobicContact CG2-CG2 3.79Å; I481-E538 HydrophobicContact CD1-CB 4.18Å
482	G	87.6	Confident	82.8	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.01	18%	0.184	C	C	.	.	H	α-helix	trans	-61.5	-40.7	173.1	0	0	0	0	0	113.1	G479 N480 Q486	G479-G482 CarbonylContact O-C 3.59Å; G479-G482 WeakPolarHBondContact O-CA 3.48Å; G479-G482 PolarHBondContact O-N 3.23Å; N480-G482 VanDerWaalsContact C-N 3.33Å; N480-G482 PolarHBondContact O-N 3.29Å; G482-Q486 WeakPolarHBondContact O-CB 3.37Å; G482-Q486 VanDerWaalsContact O-CG 3.26Å; G482-Q486 WeakPolarHBondContact O-CG 3.36Å; G482-Q486 PolarHBondContact O-N 2.9Å; G482-Q486 VanDerWaalsContact O-N 3.11Å; G482-Q486 PolarHBondContact O-NE2 3.47Å
483	K	85.4	Confident	83.3	Confident	62 Å²	62	28 Å²	28	27%	0.27	16%	0.159	S	C	.	.	H	α-helix	trans	-66.5	-38.8	174.1	-63.6	-179	-178.1	-175.4	0	111.8	I343 A347 G479 N480 H487	I343-K483 HydrophobicContact CG2-CB 3.52Å; A347-K483 HydrophobicContact CB-CD 4.36Å; G479-K483 PolarHBondContact O-N 3.33Å; N480-K483 PolarHBondContact O-N 3.12Å; K483-H487 PolarHBondContact O-N 3.29Å
484	V	87.3	Confident	83.4	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-66.5	-42.1	176.9	168.9	0	0	0	0	111.9	I340 I343 N480 I481 F488 I537	I340-V484 HydrophobicContact CG1-CG1 4.21Å; I340-V484 HydrophobicContact CG2-CG2 4.18Å; I343-V484 HydrophobicContact CB-CG2 4.18Å; I343-V484 HydrophobicContact CD1-CG2 4.23Å; I343-V484 HydrophobicContact CG2-CG2 3.76Å; N480-V484 VanDerWaalsContact O-CG2 3.31Å; N480-V484 WeakPolarHBondContact O-CG2 3.43Å; N480-V484 PolarHBondContact O-N 2.91Å; I481-V484 PolarHBondContact O-N 2.88Å; V484-F488 HydrophobicContact CG1-CD2 3.92Å; V484-F488 HydrophobicContact CG1-CE2 4.01Å; V484-F488 VanDerWaalsContact O-CD2 3.31Å; V484-F488 WeakPolarHBondContact O-CD2 3.28Å; V484-F488 PolarHBondContact O-N 2.84Å; V484-I537 HydrophobicContact CG1-CD1 3.58Å; V484-I537 HydrophobicContact CG1-CG1 4.42Å
485	I	90	Very high	83.4	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.3	-57.7	173.5	-63.8	166.3	0	0	0	109.1	L474 I481 H487 F488 S489 F493 A523 F526 I527 L530	L474-I485 HydrophobicContact CD2-CD1 3.42Å; L474-I485 VanDerWaalsContact CD2-CD1 3.42Å; I481-I485 HydrophobicContact CG2-CD1 4.25Å; I481-I485 WeakPolarHBondContact O-CG1 3.49Å; I481-I485 PolarHBondContact O-N 3.28Å; I485-H487 PolarHBondContact O-N 3.28Å; I485-H487 VanDerWaalsContact O-N 3.11Å; I485-F488 PolarHBondContact O-N 2.59Å; I485-S489 PolarHBondContact O-N 3.44Å; I485-S489 PolarHBondContact O-OG 2.91Å; I485-F493 HydrophobicContact CB-CE2 4.27Å; I485-F493 HydrophobicContact CB-CZ 4.18Å; I485-F493 HydrophobicContact CG2-CE2 4.19Å; I485-F493 HydrophobicContact CG2-CZ 3.61Å; I485-A523 HydrophobicContact CG2-CB 4.26Å; I485-F526 HydrophobicContact CB-CD1 4.14Å; I485-F526 HydrophobicContact CB-CE1 4.49Å; I485-F526 HydrophobicContact CG1-CD1 3.94Å; I485-F526 HydrophobicContact CG1-CE1 4.18Å; I485-F526 HydrophobicContact CG1-CG 4.17Å; I485-F526 HydrophobicContact CG2-CB 4.19Å; I485-F526 HydrophobicContact CG2-CD1 3.9Å; I485-F526 HydrophobicContact CG2-CG 4.32Å; I485-I527 HydrophobicContact CD1-CG1 3.88Å; I485-L530 HydrophobicContact CD1-CD1 3.56Å; I485-L530 HydrophobicContact CG1-CD1 3.92Å
486	Q	89.7	Confident	83.5	Confident	18 Å²	18	33.6 Å²	33.6	8%	0.084	18%	0.184	C	C	.	.	H	α-helix	trans	-47.6	-43.7	-179.8	-77.1	175.7	89.1	0	0	113.4	I452 G482 G490 T491 F493	I452-Q486 HydrophobicContact CD1-CB 3.75Å; I452-Q486 HydrophobicContact CG1-CB 3.87Å; G482-Q486 WeakPolarHBondContact O-CB 3.37Å; G482-Q486 VanDerWaalsContact O-CG 3.26Å; G482-Q486 WeakPolarHBondContact O-CG 3.36Å; G482-Q486 PolarHBondContact O-N 2.9Å; G482-Q486 VanDerWaalsContact O-N 3.11Å; G482-Q486 PolarHBondContact O-NE2 3.47Å; Q486-G490 WeakPolarHBondContact O-CA 3.07Å; Q486-G490 PolarHBondContact O-N 3.36Å; Q486-T491 WeakPolarHBondContact CA-O 3.21Å; Q486-T491 WeakPolarHBondContact CB-O 3.3Å; Q486-T491 VanDerWaalsContact CG-O 3.23Å; Q486-T491 WeakPolarHBondContact CG-O 3.24Å; Q486-T491 PolarHBondContact O-N 2.72Å; Q486-T491 VanDerWaalsContact O-N 3.12Å; Q486-F493 HydrophobicContact CG-CB 4.02Å; Q486-F493 HydrophobicContact CG-CD1 3.64Å; Q486-F493 HydrophobicContact CG-CD2 3.66Å; Q486-F493 HydrophobicContact CG-CE1 3.98Å; Q486-F493 HydrophobicContact CG-CE2 4.01Å; Q486-F493 HydrophobicContact CG-CG 3.47Å; Q486-F493 VanDerWaalsContact CG-CG 3.47Å; Q486-F493 HydrophobicContact CG-CZ 4.16Å
487	H	88.5	Confident	83.3	Confident	11 Å²	11	30.8 Å²	30.8	5%	0.051	18%	0.177	C	C	.	.	H	α-helix	trans	-63.2	-45.4	177	-176.5	109	0	0	0	113.5	I343 F448 K483 I485	I343-H487 HydrophobicContact CD1-CB 3.61Å; F448-H487 AromaticContact CE2-CE1 3.82Å; F448-H487 AromaticContact CZ-CE1 3.47Å; F448-H487 VanDerWaalsContact CZ-CE1 3.47Å; F448-H487 WeakPolarHBondContact CZ-CE1 3.5Å; F448-H487 AromaticContact CZ-ND1 3.98Å; K483-H487 PolarHBondContact O-N 3.29Å; I485-H487 PolarHBondContact O-N 3.28Å; I485-H487 VanDerWaalsContact O-N 3.11Å
488	F	88	Confident	83.1	Confident	28 Å²	28	32.7 Å²	32.7	12%	0.123	18%	0.175	C	C	.	.	H	α-helix	trans	-86.2	-23.8	-176.1	-73.3	-63.6	0	0	0	113.8	I333 L335 D339 I340 V484 I485 F526	I333-F488 HydrophobicContact CD1-CB 4.49Å; I333-F488 HydrophobicContact CG2-CB 4.26Å; I333-F488 HydrophobicContact CG2-CD1 3.79Å; I333-F488 HydrophobicContact CG2-CE1 4.46Å; I333-F488 HydrophobicContact CG2-CG 4.19Å; L335-F488 HydrophobicContact CD2-CD1 4.3Å; L335-F488 HydrophobicContact CD2-CD2 3.84Å; L335-F488 HydrophobicContact CD2-CE1 4.24Å; L335-F488 HydrophobicContact CD2-CE2 3.77Å; L335-F488 HydrophobicContact CD2-CG 4.12Å; L335-F488 HydrophobicContact CD2-CZ 3.99Å; D339-F488 HydrophobicContact CB-CZ 4.09Å; I340-F488 HydrophobicContact CD1-CE2 4.16Å; I340-F488 HydrophobicContact CG1-CE2 3.71Å; I340-F488 HydrophobicContact CG1-CZ 4.15Å; V484-F488 HydrophobicContact CG1-CD2 3.92Å; V484-F488 HydrophobicContact CG1-CE2 4.01Å; V484-F488 VanDerWaalsContact O-CD2 3.31Å; V484-F488 WeakPolarHBondContact O-CD2 3.28Å; V484-F488 PolarHBondContact O-N 2.84Å; I485-F488 PolarHBondContact O-N 2.59Å; F488-F526 HydrophobicContact CB-CE1 4.01Å; F488-F526 HydrophobicContact CD2-CE1 4.42Å
489	S	90.4	Very high	82.4	Confident	2 Å²	2	31.5 Å²	31.5	1%	0.014	18%	0.175	C	C	.	.	H	α-helix	trans	-88.1	-12.8	172.4	56.1	0	0	0	0	113.9	I485 T491 H519	I485-S489 PolarHBondContact O-N 3.44Å; I485-S489 PolarHBondContact O-OG 2.91Å; S489-T491 PolarHBondContact OG-OG1 3.29Å; S489-H519 VanDerWaalsContact O-CB 3.28Å; S489-H519 WeakPolarHBondContact O-CB 3.47Å; S489-H519 PolarHBondContact O-CD2 2.83Å
490	G	87.7	Confident	81.3	Confident	13 Å²	13	40.3 Å²	40.3	13%	0.134	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	42.7	-177.3	0	0	0	0	0	112.6	Q486	Q486-G490 WeakPolarHBondContact O-CA 3.07Å; Q486-G490 PolarHBondContact O-N 3.36Å
491	T	91.5	Very high	80	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	154.5	-174.9	59.3	0	0	0	0	111.3	Q486 S489 F493 I512 K513 A514 H519 A523	Q486-T491 WeakPolarHBondContact CA-O 3.21Å; Q486-T491 WeakPolarHBondContact CB-O 3.3Å; Q486-T491 VanDerWaalsContact CG-O 3.23Å; Q486-T491 WeakPolarHBondContact CG-O 3.24Å; Q486-T491 PolarHBondContact O-N 2.72Å; Q486-T491 VanDerWaalsContact O-N 3.12Å; S489-T491 PolarHBondContact OG-OG1 3.29Å; T491-F493 WeakPolarHBondContact OG1-CE1 3.48Å; T491-I512 HydrophobicContact CG2-CG2 3.92Å; T491-K513 CarbonylContact C-O 3.56Å; T491-K513 WeakPolarHBondContact CA-O 3.25Å; T491-K513 WeakPolarHBondContact CB-O 3.36Å; T491-A514 HydrophobicContact CG2-CB 3.88Å; T491-H519 VanDerWaalsContact CG2-C 3.43Å; T491-H519 HydrophobicContact CG2-CB 3.96Å; T491-H519 WeakPolarHBondContact CG2-O 3.46Å; T491-A523 HydrophobicContact CG2-CB 3.9Å
492	Y	89	Confident	78.1	Confident	74 Å²	74	55.3 Å²	55.3	29%	0.29	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	137.7	169.3	176	-99.1	0	0	0	109.8	I452 E455 N494 K513	I452-Y492 HydrophobicContact CG2-CD2 4.06Å; E455-Y492 HydrophobicContact CB-CD1 4.43Å; E455-Y492 HydrophobicContact CB-CE1 4.32Å; Y492-N494 HydrophobicContact CE1-CB 4.46Å; Y492-K513 HydrophobicContact CD1-CB 4.37Å; Y492-K513 HydrophobicContact CD1-CD 4.27Å; Y492-K513 HydrophobicContact CD1-CG 4.35Å; Y492-K513 PolarHBondContact N-O 2.96Å; Y492-K513 PolarHBondContact O-N 3.18Å
493	F	89.8	Confident	76.7	Confident	10 Å²	10	61 Å²	61	4%	0.044	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.4	179.1	-71	-3.3	0	0	0	111.2	I485 Q486 T491 F495 L510 V511 I512 A523 I527	I485-F493 HydrophobicContact CB-CE2 4.27Å; I485-F493 HydrophobicContact CB-CZ 4.18Å; I485-F493 HydrophobicContact CG2-CE2 4.19Å; I485-F493 HydrophobicContact CG2-CZ 3.61Å; Q486-F493 HydrophobicContact CG-CB 4.02Å; Q486-F493 HydrophobicContact CG-CD1 3.64Å; Q486-F493 HydrophobicContact CG-CD2 3.66Å; Q486-F493 HydrophobicContact CG-CE1 3.98Å; Q486-F493 HydrophobicContact CG-CE2 4.01Å; Q486-F493 HydrophobicContact CG-CG 3.47Å; Q486-F493 VanDerWaalsContact CG-CG 3.47Å; Q486-F493 HydrophobicContact CG-CZ 4.16Å; T491-F493 WeakPolarHBondContact OG1-CE1 3.48Å; F493-F495 HydrophobicContact CB-CE2 4.01Å; F493-F495 HydrophobicContact CB-CZ 4.48Å; F493-F495 HydrophobicContact CD2-CZ 4.23Å; F493-L510 HydrophobicContact CB-CD1 3.85Å; F493-L510 HydrophobicContact CD1-CD1 4.36Å; F493-L510 HydrophobicContact CD2-CD1 3.84Å; F493-L510 HydrophobicContact CD2-CD2 4.5Å; F493-L510 HydrophobicContact CE2-CD1 4.46Å; F493-L510 HydrophobicContact CE2-CD2 4.32Å; F493-L510 HydrophobicContact CG-CD1 3.78Å; F493-L510 HydrophobicContact CZ-CD2 4.41Å; F493-V511 WeakPolarHBondContact CA-O 3.19Å; F493-I512 HydrophobicContact CD1-CB 4.4Å; F493-I512 HydrophobicContact CD1-CG1 3.99Å; F493-I512 HydrophobicContact CD1-CG2 4.18Å; F493-I512 HydrophobicContact CE1-CB 4.37Å; F493-I512 HydrophobicContact CE1-CD1 3.96Å; F493-I512 HydrophobicContact CE1-CG1 3.81Å; F493-I512 HydrophobicContact CE1-CG2 3.91Å; F493-I512 HydrophobicContact CZ-CD1 4.45Å; F493-A523 HydrophobicContact CE1-CB 4.02Å; F493-A523 HydrophobicContact CZ-CB 4.24Å; F493-I527 HydrophobicContact CZ-CD1 4.13Å
494	N	85.2	Confident	75.4	Confident	55 Å²	55	65.9 Å²	65.9	29%	0.294	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	146.7	161.1	179.4	46.5	0	0	0	110.2	Y492 D496 V511	Y492-N494 HydrophobicContact CE1-CB 4.46Å; N494-D496 PolarHBondContact ND2-OD1 2.75Å; N494-D496 PolarHBondContact ND2-OD2 3.14Å; N494-V511 HydrophobicContact CB-CB 4.22Å; N494-V511 PolarHBondContact N-O 2.8Å; N494-V511 PolarHBondContact O-N 3.05Å
495	F	82.6	Confident	74.1	Confident	62 Å²	62	73.7 Å²	73.7	27%	0.272	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	90.6	-175.3	-70.2	-92.9	0	0	0	110.4	M466 L474 V475 F493 I498 L510	M466-F495 HydrophobicContact CE-CD1 4.04Å; M466-F495 HydrophobicContact CE-CE1 3.87Å; M466-F495 HydrophobicContact SD-CD1 3.99Å; M466-F495 HydrophobicContact SD-CE1 4.39Å; L474-F495 HydrophobicContact CB-CE1 4.03Å; L474-F495 HydrophobicContact CB-CZ 4.17Å; V475-F495 HydrophobicContact CG2-CD1 4.08Å; V475-F495 HydrophobicContact CG2-CE1 3.85Å; F493-F495 HydrophobicContact CB-CE2 4.01Å; F493-F495 HydrophobicContact CB-CZ 4.48Å; F493-F495 HydrophobicContact CD2-CZ 4.23Å; F495-I498 HydrophobicContact CB-CD1 3.84Å; F495-I498 HydrophobicContact CB-CG1 4.4Å; F495-I498 HydrophobicContact CD1-CD1 3.99Å; F495-I498 HydrophobicContact CG-CD1 4.3Å; F495-L510 HydrophobicContact CD1-CD1 3.96Å; F495-L510 HydrophobicContact CE1-CD1 3.69Å; F495-L510 HydrophobicContact CE2-CD1 4.32Å; F495-L510 HydrophobicContact CG-CD1 4.41Å; F495-L510 HydrophobicContact CZ-CD1 3.89Å
496	D	77.3	Confident	72.9	Confident	73 Å²	73	79.4 Å²	79.4	39%	0.39	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	142.9	-179.5	-69	-41.1	0	0	0	111.5	N494 T509 V511	N494-D496 PolarHBondContact ND2-OD1 2.75Å; N494-D496 PolarHBondContact ND2-OD2 3.14Å; D496-T509 PolarHBondContact N-O 3.41Å; D496-T509 PolarHBondContact O-N 2.82Å; D496-T509 PolarHBondContact O-OG1 2.97Å; D496-V511 VanDerWaalsContact OD2-CG2 3.3Å; D496-V511 WeakPolarHBondContact OD2-CG2 3.5Å
497	G	64.1	Low	72.2	Confident	33 Å²	33	85.8 Å²	85.8	34%	0.34	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	23	176.1	0	0	0	0	0	115.6	S499	G497-S499 VanDerWaalsContact C-N 3.33Å
498	I	57.6	Low	71.9	Confident	84 Å²	84	86.6 Å²	86.6	43%	0.431	44%	0.437	S	S	.	.			trans	-100.6	37.6	167.1	-36.9	-173.4	0	0	0	110.7	V475 F495 P508	V475-I498 HydrophobicContact CG2-CD1 3.95Å; F495-I498 HydrophobicContact CB-CD1 3.84Å; F495-I498 HydrophobicContact CB-CG1 4.4Å; F495-I498 HydrophobicContact CD1-CD1 3.99Å; F495-I498 HydrophobicContact CG-CD1 4.3Å; I498-P508 HydrophobicContact CG1-CB 4.11Å
499	S	53	Low	71.8	Confident	78 Å²	78	87 Å²	87	55%	0.545	44%	0.442	S	S	.	.			trans	-82.2	136.8	170.9	49.9	0	0	0	0	110.2	G497 E501	G497-S499 VanDerWaalsContact C-N 3.33Å; S499-E501 PolarHBondContact O-N 3.24Å
500	E	53.1	Low	71.7	Confident	199 Å²	199	87 Å²	87	93%	0.93	44%	0.441	S	S	*	.	S	Bend	trans	-71.4	-5.3	174.2	-60.5	-170.8	142.4	0	0	113.4
501	E	56.9	Low	71.8	Confident	170 Å²	170	86.6 Å²	86.6	79%	0.794	44%	0.436	S	S	*	.	S	Bend	trans	-81	130.8	179.4	-60.7	-170.2	157.7	0	0	112.2	S499 E503	S499-E501 PolarHBondContact O-N 3.24Å; E501-E503 PolarHBondContact O-N 3.19Å
502	E	46.2	Very low	71.9	Confident	188 Å²	188	86.6 Å²	86.6	88%	0.879	44%	0.436	S	S	*	.			trans	-74.4	72.4	-163.1	-58.8	175.1	132.1	0	0	114.9
503	E	57.5	Low	72	Confident	122 Å²	122	84.2 Å²	84.2	57%	0.57	43%	0.427	S	S	*	.			trans	-92.3	86.8	157.7	-86.6	-166.3	-131.2	0	0	111	E501 D505 K506	E501-E503 PolarHBondContact O-N 3.19Å; E503-D505 PolarHBondContact O-N 3.48Å; E503-K506 HydrophobicContact CB-CB 4.44Å; E503-K506 HydrophobicContact CB-CD 4.05Å; E503-K506 HydrophobicContact CB-CG 4.37Å; E503-K506 PolarHBondContact O-N 2.82Å; E503-K506 IonicContact OE1-NZ 2.76Å; E503-K506 PolarHBondContact OE1-NZ 3.32Å; E503-K506 VanDerWaalsContact OE2-CD 3.27Å; E503-K506 WeakPolarHBondContact OE2-CD 3.28Å; E503-K506 WeakPolarHBondContact OE2-CE 3.46Å; E503-K506 IonicContact OE2-NZ 2.61Å; E503-K506 PolarHBondContact OE2-NZ 2.81Å
504	D	57.4	Low	72.1	Confident	164 Å²	164	83.8 Å²	83.8	88%	0.877	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.1	-25.3	-172.9	-83.1	-41.2	0	0	0	117.4
505	D	61.3	Low	72.3	Confident	164 Å²	164	85 Å²	85	88%	0.877	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-8.8	-176.6	-85.1	-50.2	0	0	0	114.5	E503 K507	E503-D505 PolarHBondContact O-N 3.48Å; D505-K507 PolarHBondContact O-N 3.22Å
506	K	64.8	Low	72.6	Confident	119 Å²	119	84.8 Å²	84.8	52%	0.517	43%	0.433	S	S	.	.			trans	-80	99.7	-178.8	-86.9	178.7	176.2	153.5	0	111.7	E503	E503-K506 HydrophobicContact CB-CB 4.44Å; E503-K506 HydrophobicContact CB-CD 4.05Å; E503-K506 HydrophobicContact CB-CG 4.37Å; E503-K506 PolarHBondContact O-N 2.82Å; E503-K506 IonicContact OE1-NZ 2.76Å; E503-K506 PolarHBondContact OE1-NZ 3.32Å; E503-K506 VanDerWaalsContact OE2-CD 3.27Å; E503-K506 WeakPolarHBondContact OE2-CD 3.28Å; E503-K506 WeakPolarHBondContact OE2-CE 3.46Å; E503-K506 IonicContact OE2-NZ 2.61Å; E503-K506 PolarHBondContact OE2-NZ 2.81Å
507	K	73.9	Confident	73.2	Confident	153 Å²	153	88.5 Å²	88.5	67%	0.665	45%	0.448	S	S	*	.			trans	-69.9	134.9	166	-62.2	-177.4	-177.7	179.5	0	109.9	V465 D505	V465-K507 HydrophobicContact CG1-CB 3.81Å; V465-K507 HydrophobicContact CG1-CD 3.87Å; V465-K507 HydrophobicContact CG1-CG 4.49Å; D505-K507 PolarHBondContact O-N 3.22Å
508	P	81.9	Confident	74.5	Confident	28 Å²	28	93.8 Å²	93.8	18%	0.182	46%	0.457	C	S	.	.			trans	-62.6	143.6	177.5	24.7	-33.2	0	0	0	111.4	M466 I471 I498	M466-P508 HydrophobicContact CB-CG 4.36Å; M466-P508 WeakPolarHBondContact CB-O 3.19Å; M466-P508 PolarHBondContact N-O 3.11Å; M466-P508 HydrophobicContact SD-CB 4.37Å; I471-P508 HydrophobicContact CD1-CG 3.56Å; I471-P508 HydrophobicContact CG1-CG 4.23Å; I498-P508 HydrophobicContact CG1-CB 4.11Å
509	T	86	Confident	76.1	Confident	37 Å²	37	92.8 Å²	92.8	23%	0.227	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	127.3	-173.7	40.1	0	0	0	0	111.1	I464 V465 D496	I464-T509 CarbonylContact O-C 3.13Å; I464-T509 WeakPolarHBondContact O-CA 3.47Å; V465-T509 HydrophobicContact CG2-CG2 4.2Å; D496-T509 PolarHBondContact N-O 3.41Å; D496-T509 PolarHBondContact O-N 2.82Å; D496-T509 PolarHBondContact O-OG1 2.97Å
510	L	89.2	Confident	78	Confident	0 Å²	0	89.3 Å²	89.3	0%	0	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	117.6	170	177.2	67.5	0	0	0	108.5	I464 M466 M470 L474 F493 F495 I512 I527	I464-L510 PolarHBondContact N-O 3.36Å; I464-L510 PolarHBondContact O-N 3.05Å; M466-L510 HydrophobicContact CG-CB 3.85Å; M466-L510 HydrophobicContact SD-CB 4.04Å; M470-L510 HydrophobicContact CE-CD2 4.45Å; L474-L510 HydrophobicContact CD1-CD2 3.82Å; F493-L510 HydrophobicContact CB-CD1 3.85Å; F493-L510 HydrophobicContact CD1-CD1 4.36Å; F493-L510 HydrophobicContact CD2-CD1 3.84Å; F493-L510 HydrophobicContact CD2-CD2 4.5Å; F493-L510 HydrophobicContact CE2-CD1 4.46Å; F493-L510 HydrophobicContact CE2-CD2 4.32Å; F493-L510 HydrophobicContact CG-CD1 3.78Å; F493-L510 HydrophobicContact CZ-CD2 4.41Å; F495-L510 HydrophobicContact CD1-CD1 3.96Å; F495-L510 HydrophobicContact CE1-CD1 3.69Å; F495-L510 HydrophobicContact CE2-CD1 4.32Å; F495-L510 HydrophobicContact CG-CD1 4.41Å; F495-L510 HydrophobicContact CZ-CD1 3.89Å; L510-I512 HydrophobicContact CD2-CD1 3.95Å; L510-I512 HydrophobicContact CD2-CG1 3.92Å; L510-I512 HydrophobicContact CG-CD1 4.45Å; L510-I512 HydrophobicContact CG-CG1 3.88Å; L510-I527 HydrophobicContact CD2-CD1 3.63Å
511	V	90.5	Very high	79.9	Confident	5 Å²	5	83.3 Å²	83.3	3%	0.03	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	114.5	172	177.6	0	0	0	0	108.2	E461 A463 F493 N494 D496 K513	E461-V511 HydrophobicContact CG-CG1 3.57Å; E461-V511 WeakPolarHBondContact OE1-CG1 3.47Å; A463-V511 HydrophobicContact CB-CG2 4.09Å; F493-V511 WeakPolarHBondContact CA-O 3.19Å; N494-V511 HydrophobicContact CB-CB 4.22Å; N494-V511 PolarHBondContact N-O 2.8Å; N494-V511 PolarHBondContact O-N 3.05Å; D496-V511 VanDerWaalsContact OD2-CG2 3.3Å; D496-V511 WeakPolarHBondContact OD2-CG2 3.5Å; V511-K513 HydrophobicContact CG1-CG 4.1Å
512	I	92.3	Very high	81.5	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	117.8	178.3	-55.1	-174.8	0	0	0	108.4	E461 E462 I464 T491 F493 L510 I520 A523 K524 I527	E461-I512 CarbonylContact C-O 3.54Å; E461-I512 WeakPolarHBondContact CA-O 3.47Å; E462-I512 PolarHBondContact N-O 3.49Å; E462-I512 PolarHBondContact O-N 3.39Å; I464-I512 HydrophobicContact CD1-CD1 3.73Å; I464-I512 HydrophobicContact CD1-CG1 4.43Å; T491-I512 HydrophobicContact CG2-CG2 3.92Å; F493-I512 HydrophobicContact CD1-CB 4.4Å; F493-I512 HydrophobicContact CD1-CG1 3.99Å; F493-I512 HydrophobicContact CD1-CG2 4.18Å; F493-I512 HydrophobicContact CE1-CB 4.37Å; F493-I512 HydrophobicContact CE1-CD1 3.96Å; F493-I512 HydrophobicContact CE1-CG1 3.81Å; F493-I512 HydrophobicContact CE1-CG2 3.91Å; F493-I512 HydrophobicContact CZ-CD1 4.45Å; L510-I512 HydrophobicContact CD2-CD1 3.95Å; L510-I512 HydrophobicContact CD2-CG1 3.92Å; L510-I512 HydrophobicContact CG-CD1 4.45Å; L510-I512 HydrophobicContact CG-CG1 3.88Å; I512-I520 HydrophobicContact CB-CG2 4.25Å; I512-I520 HydrophobicContact CG2-CB 4.33Å; I512-I520 HydrophobicContact CG2-CG1 4.17Å; I512-I520 HydrophobicContact CG2-CG2 4.01Å; I512-A523 HydrophobicContact CD1-CB 4.04Å; I512-A523 HydrophobicContact CG2-CB 4.1Å; I512-K524 HydrophobicContact CD1-CG 4.2Å; I512-I527 HydrophobicContact CD1-CD1 4.09Å
513	K	92.4	Very high	83.7	Confident	25 Å²	25	66.6 Å²	66.6	11%	0.109	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	145.2	176.1	-47.4	-164.8	-176.7	-148.8	0	110.4	E455 C458 S460 E461 T491 Y492 V511	E455-K513 HydrophobicContact CG-CD 4.09Å; E455-K513 VanDerWaalsContact OE1-CE 3.24Å; E455-K513 WeakPolarHBondContact OE1-CE 3.5Å; E455-K513 IonicContact OE1-NZ 3.11Å; E455-K513 PolarHBondContact OE1-NZ 2.88Å; C458-K513 HydrophobicContact CB-CB 3.89Å; S460-K513 CarbonylContact O-C 3.59Å; S460-K513 WeakPolarHBondContact O-CA 3.46Å; E461-K513 HydrophobicContact CB-CG 4.43Å; E461-K513 VanDerWaalsContact CD-CE 3.49Å; E461-K513 HydrophobicContact CG-CD 4.48Å; E461-K513 HydrophobicContact CG-CG 4.05Å; E461-K513 IonicContact OE1-NZ 3.16Å; E461-K513 WeakPolarHBondContact OE2-CD 3.49Å; E461-K513 WeakPolarHBondContact OE2-CE 3.45Å; E461-K513 IonicContact OE2-NZ 2.71Å; E461-K513 PolarHBondContact OE2-NZ 3.22Å; T491-K513 CarbonylContact C-O 3.56Å; T491-K513 WeakPolarHBondContact CA-O 3.25Å; T491-K513 WeakPolarHBondContact CB-O 3.36Å; Y492-K513 HydrophobicContact CD1-CB 4.37Å; Y492-K513 HydrophobicContact CD1-CD 4.27Å; Y492-K513 HydrophobicContact CD1-CG 4.35Å; Y492-K513 PolarHBondContact N-O 2.96Å; Y492-K513 PolarHBondContact O-N 3.18Å; V511-K513 HydrophobicContact CG1-CG 4.1Å
514	A	91.3	Very high	85.4	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	169	178.3	0	0	0	0	0	113.4	C458 N459 S460 T491 D516 H519 I520	C458-A514 CarbonylContact C-O 3.59Å; C458-A514 WeakPolarHBondContact CA-O 3.28Å; C458-A514 WeakPolarHBondContact CB-O 3.42Å; N459-A514 PolarHBondContact N-O 3.36Å; S460-A514 PolarHBondContact N-O 3.11Å; S460-A514 PolarHBondContact O-N 2.96Å; T491-A514 HydrophobicContact CG2-CB 3.88Å; A514-D516 VanDerWaalsContact C-N 3.26Å; A514-D516 WeakPolarHBondContact CB-O 3.19Å; A514-D516 PolarHBondContact O-N 3.46Å; A514-H519 HydrophobicContact CB-CB 3.71Å; A514-I520 HydrophobicContact CB-CD1 4.41Å; A514-I520 HydrophobicContact CB-CG1 3.65Å
515	I	89.4	Confident	87.1	Confident	81 Å²	81	57.3 Å²	57.3	42%	0.415	27%	0.271	S	S	.	.	S	Bend	trans	-62.2	-35.6	174.3	-59.8	171	0	0	0	111	P453 N459	P453-I515 HydrophobicContact CB-CD1 4.32Å; P453-I515 HydrophobicContact CB-CG1 4.13Å; N459-I515 WeakPolarHBondContact CB-O 3.08Å; N459-I515 PolarHBondContact ND2-O 2.84Å
516	D	88.7	Confident	88.6	Confident	57 Å²	57	49.6 Å²	49.6	31%	0.305	23%	0.23	S	C	.	.	S	Bend	trans	-148.1	168.9	175.5	68.6	46	0	0	0	113	A514 R518 H519	A514-D516 VanDerWaalsContact C-N 3.26Å; A514-D516 WeakPolarHBondContact CB-O 3.19Å; A514-D516 PolarHBondContact O-N 3.46Å; D516-R518 VanDerWaalsContact C-N 3.29Å; D516-R518 PolarHBondContact O-N 2.99Å; D516-R518 WeakPolarHBondContact OD1-CA 3.47Å; D516-R518 WeakPolarHBondContact OD1-CB 3.4Å; D516-R518 PolarHBondContact OD1-N 3.43Å; D516-H519 PolarHBondContact O-N 3.38Å; D516-H519 IonicContact OD1-CE1 3.66Å; D516-H519 IonicContact OD1-CG 3.53Å; D516-H519 PolarHBondContact OD1-N 2.96Å; D516-H519 IonicContact OD1-ND1 3.84Å; D516-H519 PolarHBondContact OD1-ND1 3.38Å; D516-H519 IonicContact OD2-CE1 2.67Å; D516-H519 PolarHBondContact OD2-CE1 3.11Å; D516-H519 VanDerWaalsContact OD2-CE1 3.26Å; D516-H519 IonicContact OD2-ND1 2.7Å; D516-H519 PolarHBondContact OD2-ND1 3.44Å
517	E	90.9	Very high	89.8	Confident	152 Å²	152	44.3 Å²	44.3	71%	0.71	21%	0.207	S	C	*	.	H	α-helix	trans	-65.1	-23	179.2	-61.3	-178.8	173.7	0	0	114.5	S460 I520 Q521	S460-E517 PolarHBondContact OG-N 2.97Å; E517-I520 PolarHBondContact O-N 2.85Å; E517-Q521 PolarHBondContact O-N 3.32Å
518	R	90.9	Very high	90.5	Very high	143 Å²	143	40.5 Å²	40.5	54%	0.54	19%	0.192	S	C	.	.	H	α-helix	trans	-70.6	-36.4	-179.8	-177.2	-172.4	-180	177.3	3.1	110.9	D516 Q521 C522	D516-R518 VanDerWaalsContact C-N 3.29Å; D516-R518 PolarHBondContact O-N 2.99Å; D516-R518 WeakPolarHBondContact OD1-CA 3.47Å; D516-R518 WeakPolarHBondContact OD1-CB 3.4Å; D516-R518 PolarHBondContact OD1-N 3.43Å; R518-Q521 PolarHBondContact O-N 3.26Å; R518-C522 WeakPolarHBondContact O-CB 3.13Å; R518-C522 PolarHBondContact O-N 3.25Å
519	H	91.7	Very high	90.8	Very high	64 Å²	64	39.6 Å²	39.6	30%	0.296	19%	0.185	S	C	.	.	H	α-helix	trans	-67.1	-40.1	173.1	-67.1	84.2	0	0	0	110.9	S489 T491 A514 D516 C522 A523	S489-H519 VanDerWaalsContact O-CB 3.28Å; S489-H519 WeakPolarHBondContact O-CB 3.47Å; S489-H519 PolarHBondContact O-CD2 2.83Å; T491-H519 VanDerWaalsContact CG2-C 3.43Å; T491-H519 HydrophobicContact CG2-CB 3.96Å; T491-H519 WeakPolarHBondContact CG2-O 3.46Å; A514-H519 HydrophobicContact CB-CB 3.71Å; D516-H519 PolarHBondContact O-N 3.38Å; D516-H519 IonicContact OD1-CE1 3.66Å; D516-H519 IonicContact OD1-CG 3.53Å; D516-H519 PolarHBondContact OD1-N 2.96Å; D516-H519 IonicContact OD1-ND1 3.84Å; D516-H519 PolarHBondContact OD1-ND1 3.38Å; D516-H519 IonicContact OD2-CE1 2.67Å; D516-H519 PolarHBondContact OD2-CE1 3.11Å; D516-H519 VanDerWaalsContact OD2-CE1 3.26Å; D516-H519 IonicContact OD2-ND1 2.7Å; D516-H519 PolarHBondContact OD2-ND1 3.44Å; H519-C522 VanDerWaalsContact O-CB 3.27Å; H519-C522 WeakPolarHBondContact O-CB 3.4Å; H519-C522 PolarHBondContact O-N 2.87Å; H519-A523 PolarHBondContact O-N 3.21Å
520	I	91.3	Very high	90.9	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.021	18%	0.176	C	C	.	.	H	α-helix	trans	-60.6	-48.5	172.3	-57.4	-176.7	0	0	0	111	E462 I512 A514 E517 C522 A523 K524	E462-I520 HydrophobicContact CB-CD1 4.46Å; E462-I520 HydrophobicContact CB-CG2 3.84Å; E462-I520 WeakPolarHBondContact OE2-CG2 3.44Å; I512-I520 HydrophobicContact CB-CG2 4.25Å; I512-I520 HydrophobicContact CG2-CB 4.33Å; I512-I520 HydrophobicContact CG2-CG1 4.17Å; I512-I520 HydrophobicContact CG2-CG2 4.01Å; A514-I520 HydrophobicContact CB-CD1 4.41Å; A514-I520 HydrophobicContact CB-CG1 3.65Å; E517-I520 PolarHBondContact O-N 2.85Å; I520-C522 VanDerWaalsContact C-N 3.26Å; I520-C522 PolarHBondContact O-N 3.42Å; I520-A523 WeakPolarHBondContact O-CB 3.23Å; I520-A523 PolarHBondContact O-N 3.31Å; I520-A523 VanDerWaalsContact O-N 3.16Å; I520-K524 HydrophobicContact CG2-CD 3.86Å; I520-K524 WeakPolarHBondContact O-CG 3.34Å; I520-K524 PolarHBondContact O-N 2.81Å
521	Q	92.7	Very high	90.6	Very high	74 Å²	74	39.9 Å²	39.9	35%	0.346	19%	0.186	S	C	.	.	H	α-helix	trans	-64.4	-31.3	177.6	-173.9	58.9	24.3	0	0	112.3	E517 R518 E525	E517-Q521 PolarHBondContact O-N 3.32Å; R518-Q521 PolarHBondContact O-N 3.26Å; Q521-E525 PolarHBondContact NE2-OE1 3.4Å; Q521-E525 PolarHBondContact O-N 2.92Å
522	C	92.3	Very high	90.3	Very high	6 Å²	6	47.5 Å²	47.5	4%	0.041	22%	0.215	C	C	.	.	H	α-helix	trans	-61.3	-50.1	170	-172	0	0	0	0	111.6	Y331 R518 H519 I520 K524 E525 F526	Y331-C522 HydrophobicContact CD1-CB 3.58Å; Y331-C522 VanDerWaalsContact CD1-SG 3.51Å; Y331-C522 HydrophobicContact CE1-CB 3.44Å; Y331-C522 VanDerWaalsContact CE1-CB 3.44Å; Y331-C522 HydrophobicContact CG-CB 4.23Å; Y331-C522 VanDerWaalsContact CG-SG 3.58Å; R518-C522 WeakPolarHBondContact O-CB 3.13Å; R518-C522 PolarHBondContact O-N 3.25Å; H519-C522 VanDerWaalsContact O-CB 3.27Å; H519-C522 WeakPolarHBondContact O-CB 3.4Å; H519-C522 PolarHBondContact O-N 2.87Å; I520-C522 VanDerWaalsContact C-N 3.26Å; I520-C522 PolarHBondContact O-N 3.42Å; C522-K524 VanDerWaalsContact C-N 3.31Å; C522-K524 PolarHBondContact O-N 3.45Å; C522-E525 PolarHBondContact O-N 3.47Å; C522-F526 WeakPolarHBondContact O-CB 3.47Å; C522-F526 PolarHBondContact O-N 3.48Å
523	A	92.6	Very high	89.6	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.2	-42.3	177.5	0	0	0	0	0	111.9	I485 T491 F493 I512 H519 I520 F526 I527	I485-A523 HydrophobicContact CG2-CB 4.26Å; T491-A523 HydrophobicContact CG2-CB 3.9Å; F493-A523 HydrophobicContact CE1-CB 4.02Å; F493-A523 HydrophobicContact CZ-CB 4.24Å; I512-A523 HydrophobicContact CD1-CB 4.04Å; I512-A523 HydrophobicContact CG2-CB 4.1Å; H519-A523 PolarHBondContact O-N 3.21Å; I520-A523 WeakPolarHBondContact O-CB 3.23Å; I520-A523 PolarHBondContact O-N 3.31Å; I520-A523 VanDerWaalsContact O-N 3.16Å; A523-F526 PolarHBondContact O-N 3.44Å; A523-I527 VanDerWaalsContact O-CG1 3.29Å; A523-I527 WeakPolarHBondContact O-CG1 3.49Å; A523-I527 PolarHBondContact O-N 3.16Å
524	K	93.1	Very high	88.9	Confident	53 Å²	53	51.7 Å²	51.7	23%	0.23	23%	0.234	C	C	.	.	H	α-helix	trans	-62	-47.2	177.7	-72.4	164.5	68.6	-173.1	0	112.6	E462 I464 I512 I520 C522 F526 I527 E528	E462-K524 WeakPolarHBondContact OE1-CE 3.43Å; E462-K524 IonicContact OE1-NZ 2.7Å; E462-K524 PolarHBondContact OE1-NZ 3.4Å; E462-K524 VanDerWaalsContact OE2-CD 3.29Å; E462-K524 WeakPolarHBondContact OE2-CD 3.4Å; E462-K524 WeakPolarHBondContact OE2-CE 3.49Å; E462-K524 IonicContact OE2-NZ 2.74Å; E462-K524 PolarHBondContact OE2-NZ 3.02Å; I464-K524 HydrophobicContact CD1-CD 3.93Å; I464-K524 HydrophobicContact CD1-CG 3.55Å; I512-K524 HydrophobicContact CD1-CG 4.2Å; I520-K524 HydrophobicContact CG2-CD 3.86Å; I520-K524 WeakPolarHBondContact O-CG 3.34Å; I520-K524 PolarHBondContact O-N 2.81Å; C522-K524 VanDerWaalsContact C-N 3.31Å; C522-K524 PolarHBondContact O-N 3.45Å; K524-F526 VanDerWaalsContact C-N 3.31Å; K524-F526 PolarHBondContact O-N 3.44Å; K524-I527 PolarHBondContact O-N 3.26Å; K524-E528 PolarHBondContact O-N 3.21Å
525	E	92.1	Very high	88.3	Confident	39 Å²	39	52 Å²	52	18%	0.182	24%	0.235	C	C	.	.	H	α-helix	trans	-69	-30.2	177	-72	-178.9	-147.6	0	0	112.3	F327 K330 Y331 Q521 C522 E528 L529	F327-E525 HydrophobicContact CD2-CB 4.07Å; F327-E525 HydrophobicContact CE2-CB 4.05Å; K330-E525 IonicContact NZ-OE1 2.84Å; K330-E525 PolarHBondContact NZ-OE1 3.26Å; K330-E525 IonicContact NZ-OE2 2.72Å; K330-E525 PolarHBondContact NZ-OE2 3.48Å; Y331-E525 HydrophobicContact CE2-CB 4.42Å; Y331-E525 VanDerWaalsContact OH-CD 3.29Å; Y331-E525 PolarHBondContact OH-OE1 3.47Å; Y331-E525 PolarHBondContact OH-OE2 3.42Å; Q521-E525 PolarHBondContact NE2-OE1 3.4Å; Q521-E525 PolarHBondContact O-N 2.92Å; C522-E525 PolarHBondContact O-N 3.47Å; E525-E528 PolarHBondContact O-N 2.98Å; E525-L529 WeakPolarHBondContact O-CG 3.36Å; E525-L529 PolarHBondContact O-N 3.28Å
526	F	92.3	Very high	87.8	Confident	1 Å²	1	53 Å²	53	0%	0.004	23%	0.234	C	C	.	.	H	α-helix	trans	-68.2	-43.9	172.4	-154.7	174	0	0	0	111.5	F327 I485 F488 C522 A523 K524 E528 L529 L530 I537	F327-F526 HydrophobicContact CE1-CB 4.39Å; F327-F526 HydrophobicContact CE1-CD1 4.29Å; F327-F526 HydrophobicContact CE1-CD2 4.21Å; F327-F526 HydrophobicContact CE1-CG 4.05Å; F327-F526 HydrophobicContact CE2-CB 4.07Å; F327-F526 HydrophobicContact CZ-CB 3.63Å; F327-F526 HydrophobicContact CZ-CD1 4.04Å; F327-F526 HydrophobicContact CZ-CD2 4.3Å; F327-F526 AromaticContact CZ-CG 3.74Å; F327-F526 HydrophobicContact CZ-CG 3.74Å; I485-F526 HydrophobicContact CB-CD1 4.14Å; I485-F526 HydrophobicContact CB-CE1 4.49Å; I485-F526 HydrophobicContact CG1-CD1 3.94Å; I485-F526 HydrophobicContact CG1-CE1 4.18Å; I485-F526 HydrophobicContact CG1-CG 4.17Å; I485-F526 HydrophobicContact CG2-CB 4.19Å; I485-F526 HydrophobicContact CG2-CD1 3.9Å; I485-F526 HydrophobicContact CG2-CG 4.32Å; F488-F526 HydrophobicContact CB-CE1 4.01Å; F488-F526 HydrophobicContact CD2-CE1 4.42Å; C522-F526 WeakPolarHBondContact O-CB 3.47Å; C522-F526 PolarHBondContact O-N 3.48Å; A523-F526 PolarHBondContact O-N 3.44Å; K524-F526 VanDerWaalsContact C-N 3.31Å; K524-F526 PolarHBondContact O-N 3.44Å; F526-E528 VanDerWaalsContact C-N 3.29Å; F526-E528 PolarHBondContact O-N 3.17Å; F526-L529 WeakPolarHBondContact O-CB 3.32Å; F526-L529 PolarHBondContact O-N 2.88Å; F526-L530 HydrophobicContact CD2-CD1 4.19Å; F526-L530 HydrophobicContact CD2-CG 4.16Å; F526-L530 HydrophobicContact CE2-CD1 4.29Å; F526-L530 HydrophobicContact CE2-CD2 4.24Å; F526-L530 HydrophobicContact CE2-CG 4.29Å; F526-L530 WeakPolarHBondContact O-CG 3.44Å; F526-L530 PolarHBondContact O-N 3.38Å; F526-L530 VanDerWaalsContact O-N 3.12Å; F526-I537 HydrophobicContact CE2-CD1 4.17Å; F526-I537 HydrophobicContact CZ-CD1 3.75Å
527	I	90.9	Very high	87.4	Confident	9 Å²	9	50.4 Å²	50.4	5%	0.046	22%	0.22	C	C	.	.	H	α-helix	trans	-60.1	-40.1	172.7	-67.9	164.9	0	0	0	110.6	M470 L474 I485 F493 L510 I512 A523 K524 L530 T531	M470-I527 HydrophobicContact CE-CG2 4.17Å; M470-I527 HydrophobicContact CG-CG2 4.15Å; M470-I527 HydrophobicContact SD-CG2 4.41Å; L474-I527 HydrophobicContact CD1-CD1 4.19Å; L474-I527 HydrophobicContact CD1-CG1 4.39Å; I485-I527 HydrophobicContact CD1-CG1 3.88Å; F493-I527 HydrophobicContact CZ-CD1 4.13Å; L510-I527 HydrophobicContact CD2-CD1 3.63Å; I512-I527 HydrophobicContact CD1-CD1 4.09Å; A523-I527 VanDerWaalsContact O-CG1 3.29Å; A523-I527 WeakPolarHBondContact O-CG1 3.49Å; A523-I527 PolarHBondContact O-N 3.16Å; K524-I527 PolarHBondContact O-N 3.26Å; I527-L530 PolarHBondContact O-N 3.29Å; I527-T531 HydrophobicContact CG2-CG2 4.23Å; I527-T531 WeakPolarHBondContact O-CB 3.45Å; I527-T531 WeakPolarHBondContact O-CG2 3.49Å; I527-T531 PolarHBondContact O-N 3.35Å; I527-T531 PolarHBondContact O-OG1 3.13Å
528	E	89.2	Confident	86.7	Confident	73 Å²	73	47.6 Å²	47.6	34%	0.341	21%	0.207	S	C	.	.	H	α-helix	trans	-63.8	-41.8	174.9	-171.4	174.9	178.4	0	0	112.1	K524 E525 F526 L530 T531 R532 Y533	K524-E528 PolarHBondContact O-N 3.21Å; E525-E528 PolarHBondContact O-N 2.98Å; F526-E528 VanDerWaalsContact C-N 3.29Å; F526-E528 PolarHBondContact O-N 3.17Å; E528-L530 PolarHBondContact O-N 3.46Å; E528-T531 PolarHBondContact O-N 2.67Å; E528-R532 HydrophobicContact CG-CB 3.9Å; E528-R532 WeakPolarHBondContact O-CA 3.33Å; E528-R532 WeakPolarHBondContact O-CB 3.43Å; E528-R532 PolarHBondContact O-N 2.76Å; E528-R532 WeakPolarHBondContact OE1-CD 3.41Å; E528-R532 IonicContact OE1-CZ 2.77Å; E528-R532 IonicContact OE1-NE 3.71Å; E528-R532 IonicContact OE1-NH1 3.39Å; E528-R532 PolarHBondContact OE1-NH1 3.34Å; E528-Y533 HydrophobicContact CG-CE2 4.48Å
529	L	88.2	Confident	85.9	Confident	9 Å²	9	44.1 Å²	44.1	5%	0.047	20%	0.195	C	C	.	.	H	α-helix	trans	-58.3	-46.1	175.5	-76.1	168	0	0	0	112.7	A323 L324 F327 E525 F526 Y533 D534 V535	A323-L529 HydrophobicContact CB-CD2 3.53Å; L324-L529 HydrophobicContact CD1-CD1 4.5Å; F327-L529 HydrophobicContact CB-CD1 3.49Å; F327-L529 VanDerWaalsContact CB-CD1 3.49Å; F327-L529 HydrophobicContact CD1-CD1 3.57Å; F327-L529 HydrophobicContact CD2-CD1 3.75Å; F327-L529 HydrophobicContact CE1-CD1 4.2Å; F327-L529 HydrophobicContact CE2-CD1 4.37Å; F327-L529 HydrophobicContact CG-CD1 3.33Å; E525-L529 WeakPolarHBondContact O-CG 3.36Å; E525-L529 PolarHBondContact O-N 3.28Å; F526-L529 WeakPolarHBondContact O-CB 3.32Å; F526-L529 PolarHBondContact O-N 2.88Å; L529-Y533 HydrophobicContact CD2-CD2 4.08Å; L529-Y533 HydrophobicContact CD2-CG 4.36Å; L529-Y533 CarbonylContact O-C 3.59Å; L529-Y533 WeakPolarHBondContact O-CA 3Å; L529-Y533 VanDerWaalsContact O-CB 3.31Å; L529-Y533 WeakPolarHBondContact O-CB 3.38Å; L529-Y533 PolarHBondContact O-N 3.01Å; L529-Y533 VanDerWaalsContact O-N 3.13Å; L529-D534 PolarHBondContact O-N 2.76Å; L529-V535 HydrophobicContact CB-CG2 4.41Å
530	L	86.3	Confident	84.9	Confident	6 Å²	6	41 Å²	41	3%	0.031	18%	0.181	C	C	.	.	H	α-helix	trans	-69.8	-41.2	-178.6	-60.2	171.9	0	0	0	111.6	L473 I481 I485 F526 I527 E528 V535 I537	L473-L530 HydrophobicContact CD1-CB 4.19Å; L473-L530 HydrophobicContact CD2-CB 3.49Å; L473-L530 VanDerWaalsContact CD2-CB 3.49Å; L473-L530 HydrophobicContact CD2-CD1 4.03Å; L473-L530 HydrophobicContact CD2-CG 4.42Å; L473-L530 HydrophobicContact CG-CB 4.45Å; I481-L530 HydrophobicContact CG2-CD1 3.81Å; I485-L530 HydrophobicContact CD1-CD1 3.56Å; I485-L530 HydrophobicContact CG1-CD1 3.92Å; F526-L530 HydrophobicContact CD2-CD1 4.19Å; F526-L530 HydrophobicContact CD2-CG 4.16Å; F526-L530 HydrophobicContact CE2-CD1 4.29Å; F526-L530 HydrophobicContact CE2-CD2 4.24Å; F526-L530 HydrophobicContact CE2-CG 4.29Å; F526-L530 WeakPolarHBondContact O-CG 3.44Å; F526-L530 PolarHBondContact O-N 3.38Å; F526-L530 VanDerWaalsContact O-N 3.12Å; I527-L530 PolarHBondContact O-N 3.29Å; E528-L530 PolarHBondContact O-N 3.46Å; L530-V535 HydrophobicContact CD2-CB 4.16Å; L530-V535 HydrophobicContact CD2-CG1 4.19Å; L530-V535 WeakPolarHBondContact CD2-O 3.4Å; L530-I537 HydrophobicContact CD1-CG2 4.26Å; L530-I537 HydrophobicContact CD2-CB 3.89Å; L530-I537 HydrophobicContact CD2-CG2 3.56Å
531	T	84.3	Confident	84	Confident	36 Å²	36	41.6 Å²	41.6	22%	0.221	19%	0.185	C	C	.	.	H	α-helix	trans	-84.6	-39.5	-175.9	56.5	0	0	0	0	114.6	M470 L473 I527 E528	M470-T531 HydrophobicContact CG-CG2 4.02Å; L473-T531 HydrophobicContact CD2-CG2 3.71Å; I527-T531 HydrophobicContact CG2-CG2 4.23Å; I527-T531 WeakPolarHBondContact O-CB 3.45Å; I527-T531 WeakPolarHBondContact O-CG2 3.49Å; I527-T531 PolarHBondContact O-N 3.35Å; I527-T531 PolarHBondContact O-OG1 3.13Å; E528-T531 PolarHBondContact O-N 2.67Å
532	R	82.8	Confident	82.7	Confident	166 Å²	166	45.6 Å²	45.6	63%	0.626	20%	0.204	S	C	*	.	H	α-helix	trans	-92.5	-38.7	-176.1	-172.1	-179.2	179.5	166.2	2	112.5	E528	E528-R532 HydrophobicContact CG-CB 3.9Å; E528-R532 WeakPolarHBondContact O-CA 3.33Å; E528-R532 WeakPolarHBondContact O-CB 3.43Å; E528-R532 PolarHBondContact O-N 2.76Å; E528-R532 WeakPolarHBondContact OE1-CD 3.41Å; E528-R532 IonicContact OE1-CZ 2.77Å; E528-R532 IonicContact OE1-NE 3.71Å; E528-R532 IonicContact OE1-NH1 3.39Å; E528-R532 PolarHBondContact OE1-NH1 3.34Å
533	Y	79.3	Confident	80.9	Confident	71 Å²	71	46.8 Å²	46.8	28%	0.278	21%	0.212	S	C	.	.	S	Bend	trans	-101.3	3.8	-172.8	-64.8	-95.7	0	0	0	114.3	D319 S320 A323 E528 L529 V535	D319-Y533 HydrophobicContact CB-CD1 4.46Å; S320-Y533 WeakPolarHBondContact CB-O 3.3Å; S320-Y533 PolarHBondContact OG-O 2.61Å; A323-Y533 HydrophobicContact CB-CD1 3.65Å; A323-Y533 HydrophobicContact CB-CD2 4.38Å; A323-Y533 HydrophobicContact CB-CE1 3.63Å; A323-Y533 HydrophobicContact CB-CE2 4.35Å; A323-Y533 HydrophobicContact CB-CG 4.03Å; E528-Y533 HydrophobicContact CG-CE2 4.48Å; L529-Y533 HydrophobicContact CD2-CD2 4.08Å; L529-Y533 HydrophobicContact CD2-CG 4.36Å; L529-Y533 CarbonylContact O-C 3.59Å; L529-Y533 WeakPolarHBondContact O-CA 3Å; L529-Y533 VanDerWaalsContact O-CB 3.31Å; L529-Y533 WeakPolarHBondContact O-CB 3.38Å; L529-Y533 PolarHBondContact O-N 3.01Å; L529-Y533 VanDerWaalsContact O-N 3.13Å; Y533-V535 VanDerWaalsContact C-N 3.28Å; Y533-V535 PolarHBondContact O-N 3.28Å
534	D	76.6	Confident	79	Confident	42 Å²	42	50.3 Å²	50.3	23%	0.225	23%	0.233	C	C	.	.			trans	55.5	41.3	176.3	-161.9	1.9	0	0	0	113	R316 L529 R536	R316-D534 IonicContact CZ-OD2 3.22Å; R316-D534 IonicContact NH1-OD2 2.8Å; R316-D534 PolarHBondContact NH1-OD2 3.32Å; R316-D534 IonicContact NH2-OD2 3.27Å; R316-D534 PolarHBondContact NH2-OD2 3.04Å; L529-D534 PolarHBondContact O-N 2.76Å; D534-R536 PolarHBondContact O-N 2.76Å; D534-R536 IonicContact OD1-CZ 2.66Å; D534-R536 IonicContact OD1-NE 2.73Å; D534-R536 PolarHBondContact OD1-NE 2.82Å; D534-R536 IonicContact OD1-NH2 2.78Å; D534-R536 PolarHBondContact OD1-NH2 2.8Å; D534-R536 IonicContact OD2-CZ 3.4Å; D534-R536 IonicContact OD2-NE 3.68Å; D534-R536 IonicContact OD2-NH2 2.76Å; D534-R536 PolarHBondContact OD2-NH2 3.29Å
535	V	79.3	Confident	76.7	Confident	5 Å²	5	52.6 Å²	52.6	3%	0.03	25%	0.252	C	S	.	.			trans	-81.2	108.2	175	177.1	0	0	0	0	108.3	I289 L324 L529 L530 Y533 I537	I289-V535 HydrophobicContact CB-CG1 4.47Å; I289-V535 HydrophobicContact CD1-CG1 3.8Å; I289-V535 HydrophobicContact CG1-CG1 3.86Å; L324-V535 HydrophobicContact CD2-CG1 4.29Å; L529-V535 HydrophobicContact CB-CG2 4.41Å; L530-V535 HydrophobicContact CD2-CB 4.16Å; L530-V535 HydrophobicContact CD2-CG1 4.19Å; L530-V535 WeakPolarHBondContact CD2-O 3.4Å; Y533-V535 VanDerWaalsContact C-N 3.28Å; Y533-V535 PolarHBondContact O-N 3.28Å; V535-I537 PolarHBondContact O-N 3.44Å; V535-I537 VanDerWaalsContact O-N 3.09Å
536	R	78.9	Confident	74.6	Confident	104 Å²	104	53.8 Å²	53.8	39%	0.392	26%	0.257	S	S	.	.			trans	-91.5	71.6	-167.1	-63.5	-171.1	-168	-178.4	4.7	112.6	I289 D534 E538 K539	I289-R536 WeakPolarHBondContact CG2-O 3.33Å; I289-R536 PolarHBondContact O-N 2.96Å; D534-R536 PolarHBondContact O-N 2.76Å; D534-R536 IonicContact OD1-CZ 2.66Å; D534-R536 IonicContact OD1-NE 2.73Å; D534-R536 PolarHBondContact OD1-NE 2.82Å; D534-R536 IonicContact OD1-NH2 2.78Å; D534-R536 PolarHBondContact OD1-NH2 2.8Å; D534-R536 IonicContact OD2-CZ 3.4Å; D534-R536 IonicContact OD2-NE 3.68Å; D534-R536 IonicContact OD2-NH2 2.76Å; D534-R536 PolarHBondContact OD2-NH2 3.29Å; R536-E538 HydrophobicContact CB-CG 3.95Å; R536-E538 WeakPolarHBondContact CD-OE1 3.4Å; R536-E538 PolarHBondContact O-N 3.47Å; R536-K539 HydrophobicContact CB-CD 4.45Å; R536-K539 HydrophobicContact CB-CG 4.18Å; R536-K539 WeakPolarHBondContact O-CB 3.49Å; R536-K539 PolarHBondContact O-N 2.82Å
537	I	80.4	Confident	72.4	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.005	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-21.8	177.4	-157.9	162.8	0	0	0	113	I481 V484 F526 L530 V535 K539 A540 C541	I481-I537 HydrophobicContact CB-CG2 4.46Å; I481-I537 HydrophobicContact CD1-CG2 4.18Å; I481-I537 HydrophobicContact CG1-CG2 4.04Å; I481-I537 HydrophobicContact CG2-CG2 3.79Å; V484-I537 HydrophobicContact CG1-CD1 3.58Å; V484-I537 HydrophobicContact CG1-CG1 4.42Å; F526-I537 HydrophobicContact CE2-CD1 4.17Å; F526-I537 HydrophobicContact CZ-CD1 3.75Å; L530-I537 HydrophobicContact CD1-CG2 4.26Å; L530-I537 HydrophobicContact CD2-CB 3.89Å; L530-I537 HydrophobicContact CD2-CG2 3.56Å; V535-I537 PolarHBondContact O-N 3.44Å; V535-I537 VanDerWaalsContact O-N 3.09Å; I537-K539 PolarHBondContact O-N 2.81Å; I537-A540 PolarHBondContact O-N 3.15Å; I537-C541 PolarHBondContact O-N 3.04Å; I537-C541 PolarHBondContact O-SG 3.13Å; I537-C541 VanDerWaalsContact O-SG 3.35Å
538	E	76.3	Confident	70.2	Confident	94 Å²	94	58.7 Å²	58.7	44%	0.439	28%	0.281	S	S	.	.	H	α-helix	trans	-44.8	-40.6	166.7	64.2	-163.2	-167.4	0	0	113.1	I481 R536 A540 C541 E542	I481-E538 HydrophobicContact CD1-CB 4.18Å; R536-E538 HydrophobicContact CB-CG 3.95Å; R536-E538 WeakPolarHBondContact CD-OE1 3.4Å; R536-E538 PolarHBondContact O-N 3.47Å; E538-A540 PolarHBondContact O-N 3.29Å; E538-A540 VanDerWaalsContact O-N 3.11Å; E538-C541 WeakPolarHBondContact O-CA 3.41Å; E538-C541 WeakPolarHBondContact O-CB 3.48Å; E538-C541 PolarHBondContact O-N 3.27Å; E538-E542 PolarHBondContact O-N 2.64Å
539	K	72.5	Confident	68	Low	69 Å²	69	55.3 Å²	55.3	30%	0.3	27%	0.266	S	S	.	.	H	α-helix	trans	-60.6	-22.9	178.2	-64.4	-173.7	-174.1	-178.9	0	114.3	L288 S291 R536 I537	L288-K539 HydrophobicContact CD1-CB 4.46Å; L288-K539 HydrophobicContact CD1-CD 4.03Å; L288-K539 HydrophobicContact CD2-CB 4.49Å; L288-K539 HydrophobicContact CG-CB 4.26Å; L288-K539 HydrophobicContact CG-CD 4.24Å; L288-K539 WeakPolarHBondContact O-CD 3.23Å; L288-K539 PolarHBondContact O-NZ 3.31Å; S291-K539 PolarHBondContact OG-NZ 2.94Å; R536-K539 HydrophobicContact CB-CD 4.45Å; R536-K539 HydrophobicContact CB-CG 4.18Å; R536-K539 WeakPolarHBondContact O-CB 3.49Å; R536-K539 PolarHBondContact O-N 2.82Å; I537-K539 PolarHBondContact O-N 2.81Å
540	A	72.3	Confident	65.9	Low	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-98	-9.9	176.9	0	0	0	0	0	112.8	M285 I289 I340 I537 E538	M285-A540 HydrophobicContact CE-CB 3.48Å; M285-A540 VanDerWaalsContact CE-CB 3.48Å; M285-A540 HydrophobicContact SD-CB 4.27Å; I289-A540 HydrophobicContact CG2-CB 4.45Å; I340-A540 HydrophobicContact CG2-CB 4.07Å; I340-A540 WeakPolarHBondContact CG2-O 3.45Å; I537-A540 PolarHBondContact O-N 3.15Å; E538-A540 PolarHBondContact O-N 3.29Å; E538-A540 VanDerWaalsContact O-N 3.11Å
541	C	71	Confident	64.1	Low	16 Å²	16	57.6 Å²	57.6	11%	0.108	28%	0.278	C	S	.	.	H	α-helix	trans	-87.3	-29.3	172.2	-54.1	0	0	0	0	111.3	C344 I537 E538 P543	C344-C541 VanDerWaalsContact SG-SG 3.61Å; I537-C541 PolarHBondContact O-N 3.04Å; I537-C541 PolarHBondContact O-SG 3.13Å; I537-C541 VanDerWaalsContact O-SG 3.35Å; E538-C541 WeakPolarHBondContact O-CA 3.41Å; E538-C541 WeakPolarHBondContact O-CB 3.48Å; E538-C541 PolarHBondContact O-N 3.27Å; C541-P543 VanDerWaalsContact O-CD 3.3Å; C541-P543 WeakPolarHBondContact O-CD 3.35Å
542	E	66.7	Low	62.4	Low	158 Å²	158	58.4 Å²	58.4	74%	0.738	28%	0.282	S	S	*	.	S	Bend	trans	-116.8	65.1	175.6	-63.2	-178.5	-170.6	0	0	111.3	E538	E538-E542 PolarHBondContact O-N 2.64Å
543	P	53.1	Low	60.6	Low	30 Å²	30	51.7 Å²	51.7	20%	0.195	27%	0.265	C	S	.	.			trans	-66.7	139.2	-179.1	30.1	-36.8	0	0	0	111.5	Y337 C541 E548	Y337-P543 HydrophobicContact CE2-CB 4.24Å; Y337-P543 WeakPolarHBondContact OH-CB 3.47Å; Y337-P543 VanDerWaalsContact OH-CG 3.23Å; Y337-P543 WeakPolarHBondContact OH-CG 3.12Å; C541-P543 VanDerWaalsContact O-CD 3.3Å; C541-P543 WeakPolarHBondContact O-CD 3.35Å; P543-E548 HydrophobicContact CB-CG 4.29Å
544	T	53.7	Low	58.9	Low	74 Å²	74	54 Å²	54	45%	0.454	28%	0.278	S	S	.	.			trans	-80.9	159.2	164.3	78.3	0	0	0	0	110.3	E546 D547 E548	T544-E546 PolarHBondContact O-N 3.03Å; T544-E546 VanDerWaalsContact O-N 3.13Å; T544-E546 PolarHBondContact OG1-N 3.3Å; T544-D547 VanDerWaalsContact CB-OD2 3.27Å; T544-D547 WeakPolarHBondContact CB-OD2 3.39Å; T544-D547 WeakPolarHBondContact CG2-OD2 3.46Å; T544-D547 PolarHBondContact N-OD2 3.46Å; T544-D547 WeakPolarHBondContact O-CB 3.42Å; T544-D547 PolarHBondContact O-N 3.39Å; T544-D547 PolarHBondContact OG1-N 3.26Å; T544-D547 PolarHBondContact OG1-OD2 3.36Å; T544-E548 PolarHBondContact O-N 3.23Å
545	V	44.6	Very low	57.3	Low	102 Å²	102	52.8 Å²	52.8	62%	0.618	28%	0.276	S	S	*	.	H	α-helix	trans	-61.5	-20.3	174.9	-174.6	0	0	0	0	112.2	F558	V545-F558 HydrophobicContact CG1-CE1 4.14Å
546	E	47.2	Very low	55.4	Low	64 Å²	64	55.8 Å²	55.8	30%	0.299	30%	0.301	S	S	.	.	H	α-helix	trans	-75.4	-35.6	171.2	-61.6	-164.6	153.7	0	0	111.2	T544 I550 T566	T544-E546 PolarHBondContact O-N 3.03Å; T544-E546 VanDerWaalsContact O-N 3.13Å; T544-E546 PolarHBondContact OG1-N 3.3Å; E546-I550 WeakPolarHBondContact O-CD1 3.4Å; E546-I550 VanDerWaalsContact O-CG1 3.24Å; E546-I550 WeakPolarHBondContact O-CG1 3.45Å; E546-T566 WeakPolarHBondContact OE1-CB 3.44Å; E546-T566 PolarHBondContact OE1-OG1 3.44Å
547	D	47.2	Very low	53.7	Low	37 Å²	37	56 Å²	56	20%	0.198	31%	0.31	C	S	.	.	H	α-helix	trans	-69.3	-43.7	-180	-61.5	-65	0	0	0	113.1	T544 G549 I550 I551	T544-D547 VanDerWaalsContact CB-OD2 3.27Å; T544-D547 WeakPolarHBondContact CB-OD2 3.39Å; T544-D547 WeakPolarHBondContact CG2-OD2 3.46Å; T544-D547 PolarHBondContact N-OD2 3.46Å; T544-D547 WeakPolarHBondContact O-CB 3.42Å; T544-D547 PolarHBondContact O-N 3.39Å; T544-D547 PolarHBondContact OG1-N 3.26Å; T544-D547 PolarHBondContact OG1-OD2 3.36Å; D547-G549 VanDerWaalsContact C-N 3.35Å; D547-G549 PolarHBondContact O-N 3.39Å; D547-I550 WeakPolarHBondContact O-CB 3.28Å; D547-I550 PolarHBondContact O-N 3.49Å; D547-I551 HydrophobicContact CB-CD1 4.03Å; D547-I551 VanDerWaalsContact O-CG1 3.31Å; D547-I551 WeakPolarHBondContact O-CG1 3.44Å; D547-I551 PolarHBondContact O-N 3.47Å
548	E	44	Very low	51.8	Low	75 Å²	75	59.5 Å²	59.5	35%	0.35	33%	0.325	S	S	.	.	H	α-helix	trans	-53.1	-49.7	-177.7	-65.8	-169.5	132.4	0	0	112.4	P543 T544 I550 I551 V552	P543-E548 HydrophobicContact CB-CG 4.29Å; T544-E548 PolarHBondContact O-N 3.23Å; E548-I550 VanDerWaalsContact C-N 3.25Å; E548-I550 PolarHBondContact O-N 3.26Å; E548-I551 PolarHBondContact O-N 3.09Å; E548-V552 WeakPolarHBondContact O-CB 3.45Å; E548-V552 WeakPolarHBondContact O-CG2 3.37Å; E548-V552 PolarHBondContact O-N 3.49Å
549	G	42.2	Very low	50.1	Low	3 Å²	3	60.6 Å²	60.6	3%	0.031	33%	0.331	C	S	.	.	H	α-helix	trans	-63.9	-30.3	179.5	0	0	0	0	0	113.2	D547 G553 Q554 G555	D547-G549 VanDerWaalsContact C-N 3.35Å; D547-G549 PolarHBondContact O-N 3.39Å; G549-G553 PolarHBondContact O-N 3.49Å; G549-Q554 PolarHBondContact O-N 3.25Å; G549-G555 PolarHBondContact O-N 2.86Å
550	I	45.7	Very low	48.9	Very low	54 Å²	54	64.1 Å²	64.1	28%	0.277	35%	0.346	S	S	.	.	H	α-helix	trans	-77.6	-41.9	178.2	-62.1	162.2	0	0	0	110.8	R284 E546 D547 E548 L570	R284-I550 PolarHBondContact NH1-O 3.05Å; E546-I550 WeakPolarHBondContact O-CD1 3.4Å; E546-I550 VanDerWaalsContact O-CG1 3.24Å; E546-I550 WeakPolarHBondContact O-CG1 3.45Å; D547-I550 WeakPolarHBondContact O-CB 3.28Å; D547-I550 PolarHBondContact O-N 3.49Å; E548-I550 VanDerWaalsContact C-N 3.25Å; E548-I550 PolarHBondContact O-N 3.26Å; I550-L570 HydrophobicContact CD1-CD2 3.43Å; I550-L570 VanDerWaalsContact CD1-CD2 3.43Å
551	I	48.2	Very low	47.7	Very low	9 Å²	9	70.8 Å²	70.8	5%	0.046	38%	0.382	C	S	.	.	H	α-helix	trans	-80.5	-46.8	-173	-56.9	162.3	0	0	0	110.9	R284 M285 L288 Y337 D547 E548 G553	R284-I551 PolarHBondContact NH1-O 3.05Å; M285-I551 HydrophobicContact SD-CG2 4.23Å; L288-I551 HydrophobicContact CD2-CD1 3.9Å; Y337-I551 HydrophobicContact CD1-CB 4.39Å; Y337-I551 HydrophobicContact CD1-CG2 4.02Å; Y337-I551 HydrophobicContact CD2-CB 4.34Å; Y337-I551 HydrophobicContact CD2-CD1 3.7Å; Y337-I551 HydrophobicContact CD2-CG2 3.84Å; Y337-I551 HydrophobicContact CE2-CD1 3.7Å; Y337-I551 HydrophobicContact CG-CB 4.14Å; Y337-I551 HydrophobicContact CG-CD1 4.36Å; Y337-I551 HydrophobicContact CG-CG2 3.45Å; Y337-I551 VanDerWaalsContact CG-CG2 3.45Å; D547-I551 HydrophobicContact CB-CD1 4.03Å; D547-I551 VanDerWaalsContact O-CG1 3.31Å; D547-I551 WeakPolarHBondContact O-CG1 3.44Å; D547-I551 PolarHBondContact O-N 3.47Å; E548-I551 PolarHBondContact O-N 3.09Å; I551-G553 PolarHBondContact O-N 3.16Å
552	V	47.7	Very low	46.6	Very low	52 Å²	52	71.4 Å²	71.4	32%	0.315	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-17.1	176.5	-173.8	0	0	0	0	111.6	Y337 E548 Q554	Y337-V552 HydrophobicContact CD1-CG2 3.96Å; Y337-V552 HydrophobicContact CE1-CG2 4.04Å; E548-V552 WeakPolarHBondContact O-CB 3.45Å; E548-V552 WeakPolarHBondContact O-CG2 3.37Å; E548-V552 PolarHBondContact O-N 3.49Å; V552-Q554 HydrophobicContact CB-CG 4.42Å; V552-Q554 HydrophobicContact CG1-CG 4.03Å
553	G	45.6	Very low	45.3	Very low	26 Å²	26	67.4 Å²	67.4	27%	0.268	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.1	25	176.6	0	0	0	0	0	114.1	G549 I551 G555	G549-G553 PolarHBondContact O-N 3.49Å; I551-G553 PolarHBondContact O-N 3.16Å; G553-G555 VanDerWaalsContact C-N 3.34Å
554	Q	44.4	Very low	44.6	Very low	119 Å²	119	71.5 Å²	71.5	56%	0.556	40%	0.398	S	S	*	.			trans	-89.5	3.3	176.3	-59.6	-172.1	11.2	0	0	113.3	G549 V552 A556 D557	G549-Q554 PolarHBondContact O-N 3.25Å; V552-Q554 HydrophobicContact CB-CG 4.42Å; V552-Q554 HydrophobicContact CG1-CG 4.03Å; Q554-A556 PolarHBondContact O-N 2.95Å; Q554-D557 PolarHBondContact O-N 3.32Å
555	G	42.4	Very low	43.7	Very low	16 Å²	16	72.3 Å²	72.3	17%	0.165	41%	0.406	C	S	.	.	H	α-helix	trans	-50.1	-25.4	-172.3	0	0	0	0	0	116.9	G549 G553 D557 F558 E559	G549-G555 PolarHBondContact O-N 2.86Å; G553-G555 VanDerWaalsContact C-N 3.34Å; G555-D557 PolarHBondContact O-N 3.12Å; G555-D557 VanDerWaalsContact O-N 3.14Å; G555-F558 PolarHBondContact O-N 3.38Å; G555-E559 WeakPolarHBondContact O-CB 3.33Å; G555-E559 WeakPolarHBondContact O-CG 3.18Å; G555-E559 PolarHBondContact O-N 2.92Å
556	A	39.5	Very low	43.4	Very low	69 Å²	69	69.8 Å²	69.8	57%	0.57	39%	0.391	S	S	*	.	H	α-helix	trans	-59.8	-22.7	179.4	0	0	0	0	0	114.9	Q554 K560	Q554-A556 PolarHBondContact O-N 2.95Å; A556-K560 WeakPolarHBondContact O-CE 3.35Å; A556-K560 PolarHBondContact O-NZ 2.97Å
557	D	42.1	Very low	42.8	Very low	108 Å²	108	70.8 Å²	70.8	58%	0.578	39%	0.392	S	S	*	.	H	α-helix	trans	-101.2	-29.1	173.1	-76.3	-52.5	0	0	0	113.3	Q554 G555 K560	Q554-D557 PolarHBondContact O-N 3.32Å; G555-D557 PolarHBondContact O-N 3.12Å; G555-D557 VanDerWaalsContact O-N 3.14Å; D557-K560 IonicContact OD1-NZ 2.65Å; D557-K560 PolarHBondContact OD1-NZ 3.12Å
558	F	40.6	Very low	42.1	Very low	74 Å²	74	77 Å²	77	33%	0.325	42%	0.418	S	S	.	.	H	α-helix	trans	-67.3	-34.6	172.3	-85.8	-97.8	0	0	0	113.1	V545 G555 K560 N561 I562	V545-F558 HydrophobicContact CG1-CE1 4.14Å; G555-F558 PolarHBondContact O-N 3.38Å; F558-K560 PolarHBondContact O-N 3.11Å; F558-N561 PolarHBondContact O-N 3.11Å; F558-I562 HydrophobicContact CB-CD1 4.39Å; F558-I562 PolarHBondContact O-N 2.85Å
559	E	42.4	Very low	41.5	Very low	118 Å²	118	81.6 Å²	81.6	55%	0.551	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-18.7	179.5	-88.7	-157.5	128.4	0	0	114.7	G555 R567	G555-E559 WeakPolarHBondContact O-CB 3.33Å; G555-E559 WeakPolarHBondContact O-CG 3.18Å; G555-E559 PolarHBondContact O-N 2.92Å; E559-R567 PolarHBondContact O-NH1 2.89Å; E559-R567 PolarHBondContact O-NH2 3.01Å
560	K	47.1	Very low	41	Very low	143 Å²	143	84 Å²	84	62%	0.622	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-25.2	-179.7	-65.6	158.7	-166	162.5	0	112.8	A556 D557 F558	A556-K560 WeakPolarHBondContact O-CE 3.35Å; A556-K560 PolarHBondContact O-NZ 2.97Å; D557-K560 IonicContact OD1-NZ 2.65Å; D557-K560 PolarHBondContact OD1-NZ 3.12Å; F558-K560 PolarHBondContact O-N 3.11Å
561	N	46.7	Very low	40.2	Very low	140 Å²	140	85.9 Å²	85.9	75%	0.749	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	-20.7	-170	-65	-24.1	0	0	0	114	F558	F558-N561 PolarHBondContact O-N 3.11Å
562	I	47.4	Very low	39.4	Very low	29 Å²	29	88.3 Å²	88.3	15%	0.149	48%	0.476	C	S	.	.	S	Bend	trans	-73.2	124.9	-176.6	-62.9	169.7	0	0	0	111.3	F558 T566 R567	F558-I562 HydrophobicContact CB-CD1 4.39Å; F558-I562 PolarHBondContact O-N 2.85Å; I562-T566 WeakPolarHBondContact CG2-OG1 3.44Å; I562-R567 HydrophobicContact CG2-CG 4.1Å; I562-R567 PolarHBondContact O-NE 3.05Å; I562-R567 PolarHBondContact O-NH2 2.94Å
563	P	40.4	Very low	38.7	Very low	73 Å²	73	87.5 Å²	87.5	47%	0.474	47%	0.472	S	S	.	.			trans	-57	147.3	177.9	-26.4	35.6	0	0	0	113.4	S565 T566	P563-S565 PolarHBondContact O-N 3.29Å; P563-T566 PolarHBondContact O-N 3.27Å
564	P	38.3	Very low	38.3	Very low	116 Å²	116	88.2 Å²	88.2	75%	0.753	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-12.7	179.1	-25.9	35.4	0	0	0	115.6
565	S	34.7	Very low	37.8	Very low	91 Å²	91	84 Å²	84	64%	0.636	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-37.6	-178.5	45.8	0	0	0	0	114.5	P563	P563-S565 PolarHBondContact O-N 3.29Å
566	T	37.2	Very low	37.2	Very low	50 Å²	50	85.1 Å²	85.1	31%	0.307	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-78.4	-25.2	179.1	52	0	0	0	0	112.6	E546 I562 P563 K568 H569	E546-T566 WeakPolarHBondContact OE1-CB 3.44Å; E546-T566 PolarHBondContact OE1-OG1 3.44Å; I562-T566 WeakPolarHBondContact CG2-OG1 3.44Å; P563-T566 PolarHBondContact O-N 3.27Å; T566-K568 PolarHBondContact O-N 3.04Å; T566-H569 PolarHBondContact O-N 3.39Å; T566-H569 VanDerWaalsContact O-N 3.11Å
567	R	34.7	Very low	36.8	Very low	84 Å²	84	86.8 Å²	86.8	32%	0.317	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-53.4	-10.5	175.2	-60.4	-176.7	-166.5	-130	0.1	115.6	E559 I562 H569 L570	E559-R567 PolarHBondContact O-NH1 2.89Å; E559-R567 PolarHBondContact O-NH2 3.01Å; I562-R567 HydrophobicContact CG2-CG 4.1Å; I562-R567 PolarHBondContact O-NE 3.05Å; I562-R567 PolarHBondContact O-NH2 2.94Å; R567-H569 VanDerWaalsContact C-N 3.34Å; R567-L570 PolarHBondContact O-N 3.35Å
568	K	33.2	Very low	36.2	Very low	168 Å²	168	83.3 Å²	83.3	73%	0.73	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-69.9	-23.9	174.7	-76.1	-160	168	-154.4	0	114.6	T566	T566-K568 PolarHBondContact O-N 3.04Å
569	H	31.6	Very low	35.7	Very low	171 Å²	171	81.2 Å²	81.2	79%	0.792	42%	0.424	S	S	*	.	S	Bend	trans	-94	-7.6	175.9	-62.6	-68.9	0	0	0	112.8	T566 R567 I571	T566-H569 PolarHBondContact O-N 3.39Å; T566-H569 VanDerWaalsContact O-N 3.11Å; R567-H569 VanDerWaalsContact C-N 3.34Å; H569-I571 PolarHBondContact O-N 3.43Å
570	L	30.8	Very low	35	Very low	54 Å²	54	78.8 Å²	78.8	28%	0.283	42%	0.418	S	S	.	.			trans	-96.1	79.2	178.8	-61.6	178.7	0	0	0	110.1	I550 R567 P572	I550-L570 HydrophobicContact CD1-CD2 3.43Å; I550-L570 VanDerWaalsContact CD1-CD2 3.43Å; R567-L570 PolarHBondContact O-N 3.35Å; L570-P572 VanDerWaalsContact O-CD 3.26Å; L570-P572 WeakPolarHBondContact O-CD 3.45Å
571	I	30.1	Very low	34.2	Very low	94 Å²	94	76.1 Å²	76.1	48%	0.482	42%	0.423	S	S	.	.			trans	-75.7	115.9	165	-59.2	179	0	0	0	107.6	H569 T573	H569-I571 PolarHBondContact O-N 3.43Å; I571-T573 VanDerWaalsContact C-N 3.34Å; I571-T573 HydrophobicContact CG2-CG2 3.89Å; I571-T573 PolarHBondContact O-N 2.97Å
572	P	30.6	Very low	33.4	Very low	59 Å²	59	81.3 Å²	81.3	38%	0.383	43%	0.433	S	S	.	.			trans	-79.8	85.3	173.3	33	-31.7	0	0	0	109	L570 N574 F606	L570-P572 VanDerWaalsContact O-CD 3.26Å; L570-P572 WeakPolarHBondContact O-CD 3.45Å; P572-N574 PolarHBondContact O-N 3.18Å; P572-F606 HydrophobicContact CG-CB 3.82Å
573	T	33.4	Very low	32.6	Very low	35 Å²	35	85.3 Å²	85.3	22%	0.215	45%	0.454	C	S	.	.			trans	-65.2	7.3	172.9	46.9	0	0	0	0	114	I293 I571 L575	I293-T573 HydrophobicContact CB-CG2 4.46Å; I293-T573 HydrophobicContact CD1-CG2 3.81Å; I293-T573 HydrophobicContact CG1-CG2 3.94Å; I293-T573 HydrophobicContact CG2-CG2 3.75Å; I571-T573 VanDerWaalsContact C-N 3.34Å; I571-T573 HydrophobicContact CG2-CG2 3.89Å; I571-T573 PolarHBondContact O-N 2.97Å; T573-L575 PolarHBondContact O-N 3.1Å
574	N	37.2	Very low	32.2	Very low	42 Å²	42	86.1 Å²	86.1	23%	0.225	45%	0.45	C	S	.	.			trans	-80.2	63.1	-162	-76.1	-45.9	0	0	0	114.8	P572 A576 W577	P572-N574 PolarHBondContact O-N 3.18Å; N574-A576 VanDerWaalsContact C-N 3.26Å; N574-W577 VanDerWaalsContact CB-CD1 3.46Å; N574-W577 HydrophobicContact CB-CD2 4.41Å; N574-W577 HydrophobicContact CB-CG 3.93Å; N574-W577 VanDerWaalsContact CG-CD1 3.45Å; N574-W577 VanDerWaalsContact OD1-CD1 3.26Å; N574-W577 PolarHBondContact OD1-NE1 3.18Å
575	L	33.3	Very low	31.8	Very low	30 Å²	30	88.3 Å²	88.3	16%	0.157	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-71.1	-23.4	163.6	-65.4	-179.3	0	0	0	112.4	T573 W577 M594 L595 I608	T573-L575 PolarHBondContact O-N 3.1Å; L575-W577 VanDerWaalsContact C-N 3.27Å; L575-W577 PolarHBondContact O-N 3.26Å; L575-M594 HydrophobicContact CB-CE 4.35Å; L575-M594 VanDerWaalsContact O-CE 3.28Å; L575-M594 WeakPolarHBondContact O-CE 3.41Å; L575-L595 HydrophobicContact CD1-CD2 4.24Å; L575-L595 HydrophobicContact CD1-CG 4.47Å; L575-L595 HydrophobicContact CD2-CD2 3.52Å; L575-L595 HydrophobicContact CD2-CG 4.13Å; L575-I608 HydrophobicContact CD2-CD1 4.46Å
576	A	30.4	Very low	31.8	Very low	39 Å²	39	93.6 Å²	93.6	32%	0.322	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-66.5	-21.1	178.6	0	0	0	0	0	114.4	L283 N574 L578	L283-A576 HydrophobicContact CD2-CB 3.9Å; N574-A576 VanDerWaalsContact C-N 3.26Å; A576-L578 PolarHBondContact O-N 3.42Å
577	W	30.6	Very low	31.7	Very low	105 Å²	105	98.1 Å²	98.1	40%	0.398	47%	0.473	S	S	.	.	G	3₁₀ helix	trans	-75.4	-8.6	-174.9	-73.5	46.6	0	0	0	113.7	R284 N574 L575 V579	R284-W577 VanDerWaalsContact CZ-CZ2 3.43Å; N574-W577 VanDerWaalsContact CB-CD1 3.46Å; N574-W577 HydrophobicContact CB-CD2 4.41Å; N574-W577 HydrophobicContact CB-CG 3.93Å; N574-W577 VanDerWaalsContact CG-CD1 3.45Å; N574-W577 VanDerWaalsContact OD1-CD1 3.26Å; N574-W577 PolarHBondContact OD1-NE1 3.18Å; L575-W577 VanDerWaalsContact C-N 3.27Å; L575-W577 PolarHBondContact O-N 3.26Å; W577-V579 VanDerWaalsContact C-N 3.34Å; W577-V579 PolarHBondContact O-N 2.79Å
578	L	29.5	Very low	31.5	Very low	34 Å²	34	99.6 Å²	99.6	18%	0.178	48%	0.482	C	S	.	.	G	3₁₀ helix	trans	-93.8	13.1	-170.1	-72.4	165.5	0	0	0	113.8	A576 M594 I597	A576-L578 PolarHBondContact O-N 3.42Å; L578-M594 WeakPolarHBondContact CB-O 3.44Å; L578-M594 WeakPolarHBondContact CD1-O 3.49Å; L578-I597 HydrophobicContact CB-CB 4.17Å; L578-I597 HydrophobicContact CB-CG2 4.45Å; L578-I597 HydrophobicContact CD2-CB 4.06Å; L578-I597 HydrophobicContact CD2-CG2 4.04Å; L578-I597 WeakPolarHBondContact O-CD1 3.5Å; L578-I597 WeakPolarHBondContact O-CG2 3.49Å
579	V	30.3	Very low	31.4	Very low	30 Å²	30	93 Å²	93	18%	0.182	46%	0.457	C	S	.	.	S	Bend	trans	-121.6	103	168.2	-170.5	0	0	0	0	109.9	W577 A581 F584 M594	W577-V579 VanDerWaalsContact C-N 3.34Å; W577-V579 PolarHBondContact O-N 2.79Å; V579-A581 PolarHBondContact O-N 2.67Å; V579-F584 HydrophobicContact CG1-CD2 3.55Å; V579-F584 HydrophobicContact CG1-CE2 3.94Å; V579-F584 HydrophobicContact CG1-CG 4.47Å; V579-M594 HydrophobicContact CG2-CG 4.02Å
580	P	27.8	Very low	31.5	Very low	67 Å²	67	87 Å²	87	44%	0.435	43%	0.434	S	S	.	.			trans	-62.3	129.2	170.4	-21.2	33.1	0	0	0	110	R582 N583	P580-R582 PolarHBondContact O-N 3.18Å; P580-N583 HydrophobicContact CB-CB 4.31Å; P580-N583 WeakPolarHBondContact O-CA 3.43Å; P580-N583 WeakPolarHBondContact O-CB 3.37Å; P580-N583 PolarHBondContact O-N 2.93Å
581	A	31	Very low	31.5	Very low	88 Å²	88	86.4 Å²	86.4	73%	0.727	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-55.9	-29.3	-177.3	0	0	0	0	0	113.8	V579 N583 F584	V579-A581 PolarHBondContact O-N 2.67Å; A581-N583 VanDerWaalsContact C-N 3.26Å; A581-N583 PolarHBondContact O-N 3.14Å; A581-F584 PolarHBondContact O-N 2.85Å
582	R	29.4	Very low	31.6	Very low	249 Å²	249	82.9 Å²	82.9	94%	0.94	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-73.9	-11	175.7	-60.7	-178.4	179.7	179.7	-2.7	114.3	P580	P580-R582 PolarHBondContact O-N 3.18Å
583	N	30.6	Very low	31.5	Very low	112 Å²	112	85.7 Å²	85.7	60%	0.599	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-108.1	10.1	179	-71.6	-19.1	0	0	0	112.9	P580 A581 K585	P580-N583 HydrophobicContact CB-CB 4.31Å; P580-N583 WeakPolarHBondContact O-CA 3.43Å; P580-N583 WeakPolarHBondContact O-CB 3.37Å; P580-N583 PolarHBondContact O-N 2.93Å; A581-N583 VanDerWaalsContact C-N 3.26Å; A581-N583 PolarHBondContact O-N 3.14Å; N583-K585 PolarHBondContact O-N 3.05Å
584	F	32.5	Very low	31.4	Very low	91 Å²	91	85.5 Å²	85.5	40%	0.399	42%	0.418	S	S	.	.			trans	-75.6	60.7	-178.7	-144.3	-74.9	0	0	0	112	V579 A581	V579-F584 HydrophobicContact CG1-CD2 3.55Å; V579-F584 HydrophobicContact CG1-CE2 3.94Å; V579-F584 HydrophobicContact CG1-CG 4.47Å; A581-F584 PolarHBondContact O-N 2.85Å
585	K	29.8	Very low	31.1	Very low	161 Å²	161	85.4 Å²	85.4	70%	0.7	42%	0.417	S	S	*	.			trans	-76.6	122.7	166.6	-68.3	-166.3	173.8	-167.1	0	108.4	N583 E587	N583-K585 PolarHBondContact O-N 3.05Å; K585-E587 PolarHBondContact O-N 3.05Å
586	Y	33.5	Very low	31	Very low	202 Å²	202	93.5 Å²	93.5	79%	0.792	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.3	-30.8	-169.8	-73	-96.1	0	0	0	115.4	K588	Y586-K588 PolarHBondContact O-N 2.81Å
587	E	35.3	Very low	31.1	Very low	145 Å²	145	95.2 Å²	95.2	68%	0.678	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-17	-167	-52.4	171.3	142.1	0	0	117.4	K585	K585-E587 PolarHBondContact O-N 3.05Å
588	K	29.9	Very low	31	Very low	115 Å²	115	93 Å²	93	50%	0.5	45%	0.449	S	S	.	.			trans	-137.9	12.7	-146.1	-87.1	166.6	-174.6	115.3	0	120.2	Y586 R593	Y586-K588 PolarHBondContact O-N 2.81Å; K588-R593 WeakPolarHBondContact O-CD 3.42Å; K588-R593 PolarHBondContact O-NH1 2.84Å
589	C	31.8	Very low	31	Very low	30 Å²	30	99.2 Å²	99.2	20%	0.203	48%	0.477	C	S	.	.			trans	-112.9	78	-171.1	-63.5	0	0	0	0	116.4	H298	H298-C589 PolarHBondContact CD2-O 2.83Å; H298-C589 PolarHBondContact NE2-O 3.33Å
590	S	33.2	Very low	30.9	Very low	46 Å²	46	105.3 Å²	105.3	32%	0.322	51%	0.509	S	S	.	.			trans	-77.9	158	169.5	66.5	0	0	0	0	113.2	A592 R593 M594	S590-A592 VanDerWaalsContact C-N 3.33Å; S590-A592 PolarHBondContact O-N 2.8Å; S590-R593 WeakPolarHBondContact O-CA 3.31Å; S590-R593 VanDerWaalsContact O-CB 3.25Å; S590-R593 WeakPolarHBondContact O-CB 3.42Å; S590-R593 PolarHBondContact O-N 2.92Å; S590-R593 PolarHBondContact OG-N 2.77Å; S590-M594 PolarHBondContact O-N 3.06Å; S590-M594 VanDerWaalsContact O-N 3.11Å
591	P	31.8	Very low	31	Very low	40 Å²	40	106 Å²	106	26%	0.26	53%	0.527	S	S	.	.	H	α-helix	trans	-56.6	-41.4	173.4	-25.5	35.8	0	0	0	113.2	R593 M594 L595	P591-R593 PolarHBondContact O-N 3.42Å; P591-R593 VanDerWaalsContact O-N 3.1Å; P591-M594 WeakPolarHBondContact O-CB 3.31Å; P591-M594 PolarHBondContact O-N 2.89Å; P591-M594 VanDerWaalsContact O-N 3.15Å; P591-L595 PolarHBondContact O-N 3.06Å; P591-L595 VanDerWaalsContact O-N 3.1Å
592	A	31.4	Very low	31	Very low	20 Å²	20	108 Å²	108	17%	0.165	53%	0.525	C	S	.	.	H	α-helix	trans	-54.2	-25.7	168.7	0	0	0	0	0	114.5	S590 D620	S590-A592 VanDerWaalsContact C-N 3.33Å; S590-A592 PolarHBondContact O-N 2.8Å; A592-D620 HydrophobicContact CB-CB 4.28Å; A592-D620 WeakPolarHBondContact CB-OD1 3.24Å; A592-D620 WeakPolarHBondContact CB-OD2 3.21Å; A592-D620 PolarHBondContact N-OD1 2.96Å; A592-D620 PolarHBondContact N-OD2 2.81Å
593	R	29.6	Very low	31	Very low	119 Å²	119	99.7 Å²	99.7	45%	0.449	51%	0.505	S	S	.	.	H	α-helix	trans	-86.9	-35.4	178.5	-152.1	-179.9	-157.5	143.3	8.5	112.4	K588 S590 P591 L595 R596 I597	K588-R593 WeakPolarHBondContact O-CD 3.42Å; K588-R593 PolarHBondContact O-NH1 2.84Å; S590-R593 WeakPolarHBondContact O-CA 3.31Å; S590-R593 VanDerWaalsContact O-CB 3.25Å; S590-R593 WeakPolarHBondContact O-CB 3.42Å; S590-R593 PolarHBondContact O-N 2.92Å; S590-R593 PolarHBondContact OG-N 2.77Å; P591-R593 PolarHBondContact O-N 3.42Å; P591-R593 VanDerWaalsContact O-N 3.1Å; R593-L595 PolarHBondContact O-N 3.48Å; R593-R596 WeakPolarHBondContact O-CB 3.3Å; R593-R596 PolarHBondContact O-N 3.26Å; R593-I597 WeakPolarHBondContact O-CD1 3.37Å; R593-I597 WeakPolarHBondContact O-CG1 3.34Å
594	M	30.2	Very low	31.1	Very low	31 Å²	31	98.2 Å²	98.2	15%	0.153	50%	0.496	C	S	.	.	H	α-helix	trans	-56	-40	166.7	-65.6	164.1	64.4	0	0	109.9	L575 L578 V579 S590 P591 R596	L575-M594 HydrophobicContact CB-CE 4.35Å; L575-M594 VanDerWaalsContact O-CE 3.28Å; L575-M594 WeakPolarHBondContact O-CE 3.41Å; L578-M594 WeakPolarHBondContact CB-O 3.44Å; L578-M594 WeakPolarHBondContact CD1-O 3.49Å; V579-M594 HydrophobicContact CG2-CG 4.02Å; S590-M594 PolarHBondContact O-N 3.06Å; S590-M594 VanDerWaalsContact O-N 3.11Å; P591-M594 WeakPolarHBondContact O-CB 3.31Å; P591-M594 PolarHBondContact O-N 2.89Å; P591-M594 VanDerWaalsContact O-N 3.15Å; M594-R596 PolarHBondContact O-N 2.88Å; M594-R596 VanDerWaalsContact O-N 3.11Å
595	L	31.1	Very low	31	Very low	40 Å²	40	100.4 Å²	100.4	21%	0.209	51%	0.511	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	3.3	172.7	-76.4	163	0	0	0	116.1	L575 P591 R593 M604	L575-L595 HydrophobicContact CD1-CD2 4.24Å; L575-L595 HydrophobicContact CD1-CG 4.47Å; L575-L595 HydrophobicContact CD2-CD2 3.52Å; L575-L595 HydrophobicContact CD2-CG 4.13Å; P591-L595 PolarHBondContact O-N 3.06Å; P591-L595 VanDerWaalsContact O-N 3.1Å; R593-L595 PolarHBondContact O-N 3.48Å; L595-M604 HydrophobicContact CD2-CE 4.21Å; L595-M604 HydrophobicContact CD2-SD 4.43Å
596	R	32	Very low	31.1	Very low	200 Å²	200	98.9 Å²	98.9	76%	0.755	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.7	-7.3	-173.9	-101.8	-179.3	177.3	154.1	2	115.6	R593 M594	R593-R596 WeakPolarHBondContact O-CB 3.3Å; R593-R596 PolarHBondContact O-N 3.26Å; M594-R596 PolarHBondContact O-N 2.88Å; M594-R596 VanDerWaalsContact O-N 3.11Å
597	I	31.4	Very low	31	Very low	74 Å²	74	91.4 Å²	91.4	38%	0.379	49%	0.489	S	S	.	.			trans	-91.7	-1	-169.6	-68.2	161.9	0	0	0	112.8	L578 R593 Q599	L578-I597 HydrophobicContact CB-CB 4.17Å; L578-I597 HydrophobicContact CB-CG2 4.45Å; L578-I597 HydrophobicContact CD2-CB 4.06Å; L578-I597 HydrophobicContact CD2-CG2 4.04Å; L578-I597 WeakPolarHBondContact O-CD1 3.5Å; L578-I597 WeakPolarHBondContact O-CG2 3.49Å; R593-I597 WeakPolarHBondContact O-CD1 3.37Å; R593-I597 WeakPolarHBondContact O-CG1 3.34Å; I597-Q599 VanDerWaalsContact C-N 3.29Å; I597-Q599 PolarHBondContact O-N 3.45Å
598	C	28.1	Very low	31.1	Very low	59 Å²	59	86.5 Å²	86.5	40%	0.399	47%	0.468	S	S	.	.			trans	-63.5	87	163.7	-69.1	0	0	0	0	111.3
599	Q	29.2	Very low	31.5	Very low	165 Å²	165	82.6 Å²	82.6	77%	0.771	45%	0.454	S	S	*	.			trans	-68.4	151.4	161.1	-64	-177.3	-5.2	0	0	109.3	I597	I597-Q599 VanDerWaalsContact C-N 3.29Å; I597-Q599 PolarHBondContact O-N 3.45Å
600	D	29.2	Very low	31.9	Very low	158 Å²	158	85.9 Å²	85.9	85%	0.845	47%	0.469	S	S	*	.	S	Bend	trans	54.7	61.2	168.6	-60.1	-14.8	0	0	0	118.2	L602	D600-L602 PolarHBondContact O-N 2.85Å
601	G	30.6	Very low	32.4	Very low	80 Å²	80	87.7 Å²	87.7	83%	0.825	47%	0.472	S	S	*	.			trans	86.6	2.6	138.5	0	0	0	0	0	118.1	S603	G601-S603 PolarHBondContact O-N 3.38Å
602	L	30.3	Very low	32.9	Very low	131 Å²	131	87.2 Å²	87.2	69%	0.686	47%	0.467	S	S	*	.			trans	-63.7	122.5	167.3	-73.6	166.4	0	0	0	110.4	D600	D600-L602 PolarHBondContact O-N 2.85Å
603	S	30	Very low	33.4	Very low	74 Å²	74	88 Å²	88	52%	0.517	47%	0.467	S	S	.	.			trans	-83.7	128	178.9	-155.4	0	0	0	0	110.5	G601 D605	G601-S603 PolarHBondContact O-N 3.38Å; S603-D605 VanDerWaalsContact CB-OD2 3.25Å; S603-D605 WeakPolarHBondContact CB-OD2 3.4Å; S603-D605 PolarHBondContact O-N 2.95Å; S603-D605 PolarHBondContact OG-OD2 2.87Å
604	M	32.1	Very low	33.9	Very low	82 Å²	82	85.4 Å²	85.4	40%	0.404	46%	0.462	S	S	.	.	S	Bend	trans	-78.9	42.5	179.3	-54.3	-162	-36.9	0	0	112.9	L595 F606	L595-M604 HydrophobicContact CD2-CE 4.21Å; L595-M604 HydrophobicContact CD2-SD 4.43Å; M604-F606 VanDerWaalsContact C-N 3.28Å
605	D	29.8	Very low	34.4	Very low	136 Å²	136	86.6 Å²	86.6	73%	0.727	47%	0.467	S	S	*	.			trans	-87.1	0.5	176.5	-61.4	-53.6	0	0	0	112.1	S603 G607	S603-D605 VanDerWaalsContact CB-OD2 3.25Å; S603-D605 WeakPolarHBondContact CB-OD2 3.4Å; S603-D605 PolarHBondContact O-N 2.95Å; S603-D605 PolarHBondContact OG-OD2 2.87Å; D605-G607 PolarHBondContact O-N 3.48Å
606	F	31.6	Very low	34.9	Very low	129 Å²	129	86.5 Å²	86.5	57%	0.566	47%	0.467	S	S	*	.	S	Bend	trans	-88.1	103.6	-179.2	-71.3	-82.8	0	0	0	112.6	P572 M604 I608	P572-F606 HydrophobicContact CG-CB 3.82Å; M604-F606 VanDerWaalsContact C-N 3.28Å; F606-I608 VanDerWaalsContact C-N 3.31Å; F606-I608 PolarHBondContact O-N 3.37Å
607	G	33.2	Very low	35.4	Very low	45 Å²	45	82 Å²	82	46%	0.464	45%	0.45	S	S	.	.	S	Bend	trans	77.1	-35.5	151.8	0	0	0	0	0	118.6	D605 P609	D605-G607 PolarHBondContact O-N 3.48Å; G607-P609 WeakPolarHBondContact O-CD 3.49Å
608	I	36	Very low	35.8	Very low	43 Å²	43	83.6 Å²	83.6	22%	0.221	46%	0.456	C	S	.	.			trans	-71.9	113.6	-177.6	-53	-179.6	0	0	0	110	L575 F606 L612 Q613	L575-I608 HydrophobicContact CD2-CD1 4.46Å; F606-I608 VanDerWaalsContact C-N 3.31Å; F606-I608 PolarHBondContact O-N 3.37Å; I608-L612 HydrophobicContact CG2-CB 4.19Å; I608-L612 HydrophobicContact CG2-CD2 3.97Å; I608-Q613 HydrophobicContact CB-CG 4.17Å; I608-Q613 HydrophobicContact CG2-CG 3.63Å; I608-Q613 PolarHBondContact O-NE2 3.31Å
609	P	38.6	Very low	36.1	Very low	32 Å²	32	83 Å²	83	21%	0.208	46%	0.455	C	S	.	.			trans	-62.2	144.2	-173.9	-22.2	33.7	0	0	0	112.2	Y251 G607 Q611 L612 Q613	Y251-P609 HydrophobicContact CD1-CG 4.36Å; Y251-P609 HydrophobicContact CD2-CB 3.77Å; Y251-P609 HydrophobicContact CD2-CG 3.59Å; Y251-P609 HydrophobicContact CE2-CG 3.98Å; Y251-P609 HydrophobicContact CG-CB 3.82Å; Y251-P609 HydrophobicContact CG-CG 3.8Å; G607-P609 WeakPolarHBondContact O-CD 3.49Å; P609-Q611 PolarHBondContact O-N 2.81Å; P609-Q611 VanDerWaalsContact O-N 3.14Å; P609-L612 WeakPolarHBondContact O-CA 3.14Å; P609-L612 WeakPolarHBondContact O-CB 3.5Å; P609-L612 PolarHBondContact O-N 2.94Å; P609-Q613 PolarHBondContact O-N 2.9Å
610	L	41.3	Very low	36.5	Very low	100 Å²	100	76 Å²	76	52%	0.524	42%	0.423	S	S	.	.	H	α-helix	trans	-58.4	-33.9	-174.5	-175.6	61.3	0	0	0	112.7	Q613 I614	L610-Q613 PolarHBondContact O-N 3.02Å; L610-I614 HydrophobicContact CG-CD1 4.08Å; L610-I614 WeakPolarHBondContact O-CD1 3.43Å; L610-I614 VanDerWaalsContact O-CG1 3.25Å; L610-I614 WeakPolarHBondContact O-CG1 3.38Å; L610-I614 PolarHBondContact O-N 3.06Å
611	Q	42.3	Very low	36.7	Very low	83 Å²	83	71.2 Å²	71.2	39%	0.388	40%	0.402	S	S	.	.	H	α-helix	trans	-60.8	-46.8	171.8	-101.6	69.9	-3.3	0	0	112	P609 Q613 I614 E615	P609-Q611 PolarHBondContact O-N 2.81Å; P609-Q611 VanDerWaalsContact O-N 3.14Å; Q611-Q613 VanDerWaalsContact C-N 3.32Å; Q611-Q613 PolarHBondContact O-N 2.75Å; Q611-I614 CarbonylContact O-C 3.55Å; Q611-I614 WeakPolarHBondContact O-CA 3.48Å; Q611-I614 WeakPolarHBondContact O-CB 3.37Å; Q611-I614 PolarHBondContact O-N 3.24Å; Q611-E615 PolarHBondContact O-N 3.19Å
612	L	42.3	Very low	36.8	Very low	31 Å²	31	72.4 Å²	72.4	16%	0.162	38%	0.382	C	S	.	.	H	α-helix	trans	-62.4	-41.2	177	-153.3	81.6	0	0	0	110.9	I249 I608 P609 I614 E615 L616	I249-L612 HydrophobicContact CD1-CD1 3.39Å; I249-L612 HydrophobicContact CG2-CD1 4.29Å; I608-L612 HydrophobicContact CG2-CB 4.19Å; I608-L612 HydrophobicContact CG2-CD2 3.97Å; P609-L612 WeakPolarHBondContact O-CA 3.14Å; P609-L612 WeakPolarHBondContact O-CB 3.5Å; P609-L612 PolarHBondContact O-N 2.94Å; L612-I614 PolarHBondContact O-N 3.11Å; L612-E615 PolarHBondContact O-N 3.22Å; L612-L616 HydrophobicContact CD2-CD1 4.34Å; L612-L616 HydrophobicContact CG-CD1 4.2Å; L612-L616 WeakPolarHBondContact O-CB 3.32Å; L612-L616 VanDerWaalsContact O-CG 3.3Å; L612-L616 WeakPolarHBondContact O-CG 3.49Å; L612-L616 PolarHBondContact O-N 3.32Å
613	Q	42	Very low	37	Very low	35 Å²	35	68.1 Å²	68.1	16%	0.164	36%	0.359	C	S	.	.	H	α-helix	trans	-65.9	-17.8	173.3	-60.4	-167.9	33.4	0	0	114	I608 P609 L610 Q611 R617	I608-Q613 HydrophobicContact CB-CG 4.17Å; I608-Q613 HydrophobicContact CG2-CG 3.63Å; I608-Q613 PolarHBondContact O-NE2 3.31Å; P609-Q613 PolarHBondContact O-N 2.9Å; L610-Q613 PolarHBondContact O-N 3.02Å; Q611-Q613 VanDerWaalsContact C-N 3.32Å; Q611-Q613 PolarHBondContact O-N 2.75Å; Q613-R617 WeakPolarHBondContact O-CD 3.36Å; Q613-R617 WeakPolarHBondContact O-CG 3.49Å; Q613-R617 PolarHBondContact O-NE 2.93Å
614	I	41.3	Very low	37.3	Very low	66 Å²	66	69.6 Å²	69.6	34%	0.338	36%	0.358	S	S	.	.	H	α-helix	trans	-89.2	-46.3	174.7	-73	163.6	0	0	0	109.7	L610 Q611 L612 R617 Q618	L610-I614 HydrophobicContact CG-CD1 4.08Å; L610-I614 WeakPolarHBondContact O-CD1 3.43Å; L610-I614 VanDerWaalsContact O-CG1 3.25Å; L610-I614 WeakPolarHBondContact O-CG1 3.38Å; L610-I614 PolarHBondContact O-N 3.06Å; Q611-I614 CarbonylContact O-C 3.55Å; Q611-I614 WeakPolarHBondContact O-CA 3.48Å; Q611-I614 WeakPolarHBondContact O-CB 3.37Å; Q611-I614 PolarHBondContact O-N 3.24Å; L612-I614 PolarHBondContact O-N 3.11Å; I614-R617 CarbonylContact O-C 3.51Å; I614-R617 PolarHBondContact O-N 3.13Å; I614-Q618 HydrophobicContact CG2-CG 4.38Å; I614-Q618 WeakPolarHBondContact O-CB 3.11Å; I614-Q618 WeakPolarHBondContact O-CG 3.23Å; I614-Q618 PolarHBondContact O-N 3.35Å
615	E	40.9	Very low	37.6	Very low	56 Å²	56	69.2 Å²	69.2	26%	0.262	36%	0.357	S	S	.	.	H	α-helix	trans	-62.7	-42.8	177.6	-76.5	-169.4	-159	0	0	112.8	I249 K262 Q611 L612 R617 Q618 A619	I249-E615 WeakPolarHBondContact CD1-OE2 3.05Å; K262-E615 IonicContact NZ-OE2 2.87Å; K262-E615 PolarHBondContact NZ-OE2 2.93Å; Q611-E615 PolarHBondContact O-N 3.19Å; L612-E615 PolarHBondContact O-N 3.22Å; E615-R617 VanDerWaalsContact C-N 3.29Å; E615-R617 PolarHBondContact O-N 3.13Å; E615-Q618 PolarHBondContact O-N 2.94Å; E615-Q618 VanDerWaalsContact O-N 3.13Å; E615-A619 PolarHBondContact O-N 3.42Å
616	L	40	Very low	38.1	Very low	38 Å²	38	69.9 Å²	69.9	20%	0.199	35%	0.35	C	S	.	.	H	α-helix	trans	-61.7	-38.8	176	-70.6	168.5	0	0	0	111.2	L612 A619 D620	L612-L616 HydrophobicContact CD2-CD1 4.34Å; L612-L616 HydrophobicContact CG-CD1 4.2Å; L612-L616 WeakPolarHBondContact O-CB 3.32Å; L612-L616 VanDerWaalsContact O-CG 3.3Å; L612-L616 WeakPolarHBondContact O-CG 3.49Å; L612-L616 PolarHBondContact O-N 3.32Å; L616-A619 PolarHBondContact O-N 3.11Å; L616-D620 PolarHBondContact O-N 3.22Å
617	R	42.8	Very low	38.4	Very low	105 Å²	105	68 Å²	68	40%	0.396	35%	0.346	S	S	.	.	H	α-helix	trans	-72.1	-28.3	174.3	-67.8	174.2	-153.9	-108.4	0.4	113.4	Q613 I614 E615 S621	Q613-R617 WeakPolarHBondContact O-CD 3.36Å; Q613-R617 WeakPolarHBondContact O-CG 3.49Å; Q613-R617 PolarHBondContact O-NE 2.93Å; I614-R617 CarbonylContact O-C 3.51Å; I614-R617 PolarHBondContact O-N 3.13Å; E615-R617 VanDerWaalsContact C-N 3.29Å; E615-R617 PolarHBondContact O-N 3.13Å; R617-S621 PolarHBondContact O-N 3.38Å; R617-S621 PolarHBondContact O-OG 2.93Å
618	Q	39.2	Very low	38.4	Very low	108 Å²	108	69 Å²	69	51%	0.505	34%	0.337	S	S	.	.	H	α-helix	trans	-73.4	-36.3	173.9	-77.1	173.1	-14.1	0	0	110.8	I614 E615 S621 Y622	I614-Q618 HydrophobicContact CG2-CG 4.38Å; I614-Q618 WeakPolarHBondContact O-CB 3.11Å; I614-Q618 WeakPolarHBondContact O-CG 3.23Å; I614-Q618 PolarHBondContact O-N 3.35Å; E615-Q618 PolarHBondContact O-N 2.94Å; E615-Q618 VanDerWaalsContact O-N 3.13Å; Q618-S621 WeakPolarHBondContact CA-OG 3.35Å; Q618-S621 PolarHBondContact O-N 3.37Å; Q618-S621 PolarHBondContact O-OG 3.38Å; Q618-Y622 WeakPolarHBondContact O-CB 3.46Å; Q618-Y622 PolarHBondContact O-N 2.87Å
619	A	35.4	Very low	38.3	Very low	47 Å²	47	71.2 Å²	71.2	39%	0.388	35%	0.349	S	S	.	.	H	α-helix	trans	-63.8	-48.6	168.7	0	0	0	0	0	111	E615 L616 S621 Y622 M623	E615-A619 PolarHBondContact O-N 3.42Å; L616-A619 PolarHBondContact O-N 3.11Å; A619-S621 VanDerWaalsContact C-N 3.31Å; A619-S621 PolarHBondContact O-N 2.93Å; A619-Y622 WeakPolarHBondContact O-CB 3.36Å; A619-Y622 PolarHBondContact O-N 3.31Å; A619-Y622 VanDerWaalsContact O-N 3.08Å; A619-M623 WeakPolarHBondContact O-CB 3.47Å; A619-M623 WeakPolarHBondContact O-CG 3.47Å; A619-M623 PolarHBondContact O-N 3.05Å
620	D	37.6	Very low	38.5	Very low	16 Å²	16	72.8 Å²	72.8	9%	0.086	36%	0.361	C	S	.	.	H	α-helix	trans	-53.4	-45.7	171.6	-80.7	-53.2	0	0	0	111.4	A592 L616 Y622 M623 E624	A592-D620 HydrophobicContact CB-CB 4.28Å; A592-D620 WeakPolarHBondContact CB-OD1 3.24Å; A592-D620 WeakPolarHBondContact CB-OD2 3.21Å; A592-D620 PolarHBondContact N-OD1 2.96Å; A592-D620 PolarHBondContact N-OD2 2.81Å; L616-D620 PolarHBondContact O-N 3.22Å; D620-Y622 VanDerWaalsContact C-N 3.34Å; D620-Y622 PolarHBondContact O-N 3.42Å; D620-M623 WeakPolarHBondContact O-CB 3.49Å; D620-M623 PolarHBondContact O-N 3.28Å; D620-E624 WeakPolarHBondContact O-CB 3.46Å; D620-E624 WeakPolarHBondContact O-CG 3.07Å; D620-E624 PolarHBondContact O-N 3.29Å
621	S	33.6	Very low	38.6	Very low	58 Å²	58	74.6 Å²	74.6	41%	0.406	37%	0.371	S	S	.	.	H	α-helix	trans	-69.5	-29.3	178.1	67.6	0	0	0	0	114	R617 Q618 A619 M623 D625	R617-S621 PolarHBondContact O-N 3.38Å; R617-S621 PolarHBondContact O-OG 2.93Å; Q618-S621 WeakPolarHBondContact CA-OG 3.35Å; Q618-S621 PolarHBondContact O-N 3.37Å; Q618-S621 PolarHBondContact O-OG 3.38Å; A619-S621 VanDerWaalsContact C-N 3.31Å; A619-S621 PolarHBondContact O-N 2.93Å; S621-M623 VanDerWaalsContact C-N 3.31Å; S621-D625 WeakPolarHBondContact O-CB 3.26Å; S621-D625 PolarHBondContact O-N 2.85Å
622	Y	33.2	Very low	38.7	Very low	106 Å²	106	76 Å²	76	42%	0.416	38%	0.378	S	S	.	.	H	α-helix	trans	-69.6	-32.3	172.8	-115.6	-97.4	0	0	0	111.9	Q618 A619 D620 K712	Q618-Y622 WeakPolarHBondContact O-CB 3.46Å; Q618-Y622 PolarHBondContact O-N 2.87Å; A619-Y622 WeakPolarHBondContact O-CB 3.36Å; A619-Y622 PolarHBondContact O-N 3.31Å; A619-Y622 VanDerWaalsContact O-N 3.08Å; D620-Y622 VanDerWaalsContact C-N 3.34Å; D620-Y622 PolarHBondContact O-N 3.42Å; Y622-K712 HydrophobicContact CE1-CD 4.5Å; Y622-K712 VanDerWaalsContact OH-CB 3.25Å; Y622-K712 WeakPolarHBondContact OH-CB 3.17Å; Y622-K712 WeakPolarHBondContact OH-CD 3.38Å; Y622-K712 VanDerWaalsContact OH-CG 3.3Å; Y622-K712 WeakPolarHBondContact OH-CG 3.47Å
623	M	33.9	Very low	38.8	Very low	40 Å²	40	76.9 Å²	76.9	20%	0.197	38%	0.384	C	S	.	.	H	α-helix	trans	-77.1	-46.8	177.3	-69.6	-79.3	-76.5	0	0	111.1	H298 N300 F307 A619 D620 S621 D625 W626	H298-M623 WeakPolarHBondContact O-CE 3.45Å; N300-M623 HydrophobicContact CB-CE 4.29Å; N300-M623 VanDerWaalsContact ND2-C 3.35Å; N300-M623 PolarHBondContact ND2-O 2.91Å; N300-M623 WeakPolarHBondContact OD1-CE 3.28Å; F307-M623 HydrophobicContact CD2-CE 4.42Å; F307-M623 HydrophobicContact CE2-CE 4.02Å; F307-M623 HydrophobicContact CE2-SD 3.86Å; A619-M623 WeakPolarHBondContact O-CB 3.47Å; A619-M623 WeakPolarHBondContact O-CG 3.47Å; A619-M623 PolarHBondContact O-N 3.05Å; D620-M623 WeakPolarHBondContact O-CB 3.49Å; D620-M623 PolarHBondContact O-N 3.28Å; S621-M623 VanDerWaalsContact C-N 3.31Å; M623-D625 PolarHBondContact O-N 3.2Å; M623-W626 PolarHBondContact O-N 3.13Å; M623-W626 VanDerWaalsContact O-N 3.16Å
624	E	37	Very low	38.9	Very low	106 Å²	106	78.5 Å²	78.5	50%	0.495	39%	0.393	S	S	.	.	H	α-helix	trans	-60.5	-28.3	175.2	-72.4	-178.2	162.3	0	0	112	D620 W626 N627	D620-E624 WeakPolarHBondContact O-CB 3.46Å; D620-E624 WeakPolarHBondContact O-CG 3.07Å; D620-E624 PolarHBondContact O-N 3.29Å; E624-W626 PolarHBondContact O-N 3.47Å; E624-N627 PolarHBondContact O-N 3.42Å
625	D	38.7	Very low	39.2	Very low	73 Å²	73	80.7 Å²	80.7	39%	0.39	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-16.3	175.6	-109.9	6.2	0	0	0	114.6	S621 M623 F628 K712	S621-D625 WeakPolarHBondContact O-CB 3.26Å; S621-D625 PolarHBondContact O-N 2.85Å; M623-D625 PolarHBondContact O-N 3.2Å; D625-F628 WeakPolarHBondContact O-CD2 3.36Å; D625-K712 IonicContact OD2-NZ 3.96Å
626	W	38.4	Very low	39.4	Very low	151 Å²	151	82 Å²	82	57%	0.572	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-18	-178.4	-79.8	61.8	0	0	0	114.3	M623 E624 F628	M623-W626 PolarHBondContact O-N 3.13Å; M623-W626 VanDerWaalsContact O-N 3.16Å; E624-W626 PolarHBondContact O-N 3.47Å; W626-F628 PolarHBondContact O-N 3.16Å
627	N	38	Very low	39.6	Very low	90 Å²	90	83.7 Å²	83.7	48%	0.481	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	29.3	-174.2	-63.8	-23.1	0	0	0	114.7	N300 E624	N300-N627 PolarHBondContact ND2-OD1 2.84Å; N300-N627 VanDerWaalsContact ND2-OD1 3.13Å; E624-N627 PolarHBondContact O-N 3.42Å
628	F	35	Very low	39.6	Very low	64 Å²	64	82 Å²	82	28%	0.281	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-4	-174.2	-67.2	-58.9	0	0	0	115.3	L45 D625 W626	L45-F628 WeakPolarHBondContact O-CE1 3.38Å; L45-F628 WeakPolarHBondContact O-CZ 3.37Å; D625-F628 WeakPolarHBondContact O-CD2 3.36Å; W626-F628 PolarHBondContact O-N 3.16Å
629	L	33.6	Very low	40	Very low	91 Å²	91	81.8 Å²	81.8	48%	0.476	42%	0.415	S	S	.	.	S	Bend	trans	-92.4	119.5	164.6	-56.4	176.4	0	0	0	107.5	T633 I634 L637	L629-T633 HydrophobicContact CD2-CG2 3.94Å; L629-I634 HydrophobicContact CB-CD1 4.07Å; L629-I634 HydrophobicContact CB-CG1 3.48Å; L629-I634 VanDerWaalsContact CB-CG1 3.48Å; L629-I634 HydrophobicContact CD1-CG1 4.18Å; L629-I634 HydrophobicContact CG-CG1 4.47Å; L629-L637 HydrophobicContact CD1-CD1 4.14Å; L629-L637 HydrophobicContact CD2-CD1 3.96Å
630	S	42	Very low	40.6	Very low	64 Å²	64	86 Å²	86	45%	0.448	42%	0.421	S	S	.	.			trans	-71.1	158.2	168.6	63.6	0	0	0	0	109.9	E632 T633 I634	S630-E632 PolarHBondContact O-N 2.87Å; S630-T633 CarbonylContact O-C 3.59Å; S630-T633 WeakPolarHBondContact O-CA 3.31Å; S630-T633 WeakPolarHBondContact O-CB 3.15Å; S630-T633 PolarHBondContact O-N 3.2Å; S630-T633 PolarHBondContact OG-N 2.87Å; S630-T633 PolarHBondContact OG-OG1 2.92Å; S630-I634 WeakPolarHBondContact O-CG1 3.48Å; S630-I634 PolarHBondContact O-N 2.86Å
631	D	42.9	Very low	40.6	Very low	139 Å²	139	92.8 Å²	92.8	74%	0.743	45%	0.445	S	S	*	.	H	α-helix	trans	-49.1	-38.8	174.1	-53.8	-37.1	0	0	0	111.7	T633 I634 R635	D631-T633 PolarHBondContact O-N 3.33Å; D631-I634 PolarHBondContact O-N 2.93Å; D631-R635 WeakPolarHBondContact O-CB 3.43Å; D631-R635 PolarHBondContact O-N 3.25Å
632	E	44.7	Very low	41	Very low	113 Å²	113	93.7 Å²	93.7	53%	0.528	45%	0.45	S	S	.	.	H	α-helix	trans	-67.2	-32.9	176.8	-162.1	73.8	156.2	0	0	112.9	S630 R635 E636	S630-E632 PolarHBondContact O-N 2.87Å; E632-R635 IonicContact OE1-CZ 2.61Å; E632-R635 IonicContact OE1-NH2 2.67Å; E632-R635 PolarHBondContact OE1-NH2 3.08Å; E632-R635 IonicContact OE2-CZ 2.86Å; E632-R635 VanDerWaalsContact OE2-CZ 3.23Å; E632-R635 IonicContact OE2-NE 3.86Å; E632-R635 PolarHBondContact OE2-NE 2.97Å; E632-R635 IonicContact OE2-NH2 2.7Å; E632-R635 PolarHBondContact OE2-NH2 2.86Å; E632-E636 VanDerWaalsContact O-CB 3.24Å; E632-E636 WeakPolarHBondContact O-CB 3.11Å; E632-E636 PolarHBondContact O-N 2.87Å
633	T	45.4	Very low	41.4	Very low	49 Å²	49	92.5 Å²	92.5	30%	0.301	45%	0.454	S	S	.	.	H	α-helix	trans	-79.8	-37.3	176.2	-46.9	0	0	0	0	111.6	L629 S630 D631 R635 E636 L637	L629-T633 HydrophobicContact CD2-CG2 3.94Å; S630-T633 CarbonylContact O-C 3.59Å; S630-T633 WeakPolarHBondContact O-CA 3.31Å; S630-T633 WeakPolarHBondContact O-CB 3.15Å; S630-T633 PolarHBondContact O-N 3.2Å; S630-T633 PolarHBondContact OG-N 2.87Å; S630-T633 PolarHBondContact OG-OG1 2.92Å; D631-T633 PolarHBondContact O-N 3.33Å; T633-R635 VanDerWaalsContact C-N 3.35Å; T633-E636 PolarHBondContact O-N 3.31Å; T633-L637 HydrophobicContact CG2-CD1 4.3Å; T633-L637 VanDerWaalsContact O-CB 3.31Å; T633-L637 WeakPolarHBondContact O-CB 3.36Å; T633-L637 VanDerWaalsContact O-CG 3.31Å; T633-L637 WeakPolarHBondContact O-CG 3.29Å; T633-L637 PolarHBondContact O-N 2.78Å
634	I	42.5	Very low	41.7	Very low	68 Å²	68	95.2 Å²	95.2	35%	0.349	47%	0.47	S	S	.	.	H	α-helix	trans	-62.8	-46.9	171	-59.9	176.1	0	0	0	108.6	L629 S630 D631 L637 C638	L629-I634 HydrophobicContact CB-CD1 4.07Å; L629-I634 HydrophobicContact CB-CG1 3.48Å; L629-I634 VanDerWaalsContact CB-CG1 3.48Å; L629-I634 HydrophobicContact CD1-CG1 4.18Å; L629-I634 HydrophobicContact CG-CG1 4.47Å; S630-I634 WeakPolarHBondContact O-CG1 3.48Å; S630-I634 PolarHBondContact O-N 2.86Å; D631-I634 PolarHBondContact O-N 2.93Å; I634-L637 PolarHBondContact O-N 2.87Å; I634-C638 WeakPolarHBondContact O-CB 3.22Å; I634-C638 PolarHBondContact O-N 2.92Å; I634-C638 PolarHBondContact O-SG 3.37Å; I634-C638 VanDerWaalsContact O-SG 3.38Å
635	R	48	Very low	41.9	Very low	112 Å²	112	93.6 Å²	93.6	42%	0.423	47%	0.47	S	S	.	.	H	α-helix	trans	-59.7	-46	174.8	-172.7	173.4	75.2	77.4	-3.7	111.8	D631 E632 T633 L637 C638 E639	D631-R635 WeakPolarHBondContact O-CB 3.43Å; D631-R635 PolarHBondContact O-N 3.25Å; E632-R635 IonicContact OE1-CZ 2.61Å; E632-R635 IonicContact OE1-NH2 2.67Å; E632-R635 PolarHBondContact OE1-NH2 3.08Å; E632-R635 IonicContact OE2-CZ 2.86Å; E632-R635 VanDerWaalsContact OE2-CZ 3.23Å; E632-R635 IonicContact OE2-NE 3.86Å; E632-R635 PolarHBondContact OE2-NE 2.97Å; E632-R635 IonicContact OE2-NH2 2.7Å; E632-R635 PolarHBondContact OE2-NH2 2.86Å; T633-R635 VanDerWaalsContact C-N 3.35Å; R635-L637 PolarHBondContact O-N 2.79Å; R635-C638 PolarHBondContact O-N 2.67Å; R635-E639 HydrophobicContact CG-CG 4.39Å; R635-E639 WeakPolarHBondContact CG-OE1 3.29Å; R635-E639 IonicContact CZ-OE1 3.1Å; R635-E639 VanDerWaalsContact NH1-CD 3.27Å; R635-E639 IonicContact NH1-OE1 2.74Å; R635-E639 PolarHBondContact NH1-OE1 2.79Å; R635-E639 IonicContact NH1-OE2 2.78Å; R635-E639 PolarHBondContact NH1-OE2 3.25Å; R635-E639 VanDerWaalsContact NH1-OE2 3.11Å; R635-E639 VanDerWaalsContact O-CB 3.26Å; R635-E639 WeakPolarHBondContact O-CB 3.11Å; R635-E639 VanDerWaalsContact O-CG 3.28Å; R635-E639 WeakPolarHBondContact O-CG 3.31Å; R635-E639 PolarHBondContact O-N 2.66Å
636	E	45.9	Very low	41.9	Very low	84 Å²	84	95.2 Å²	95.2	39%	0.393	48%	0.479	S	S	.	.	H	α-helix	trans	-66.3	-34.5	176.9	-165.2	-172.5	-171.3	0	0	112.5	E632 T633 R640	E632-E636 VanDerWaalsContact O-CB 3.24Å; E632-E636 WeakPolarHBondContact O-CB 3.11Å; E632-E636 PolarHBondContact O-N 2.87Å; T633-E636 PolarHBondContact O-N 3.31Å; E636-R640 WeakPolarHBondContact O-CB 3.13Å; E636-R640 WeakPolarHBondContact O-CG 3.19Å; E636-R640 PolarHBondContact O-N 3.5Å; E636-R640 IonicContact OE1-CZ 3.08Å; E636-R640 IonicContact OE1-NH1 2.78Å; E636-R640 PolarHBondContact OE1-NH1 2.95Å; E636-R640 IonicContact OE1-NH2 3.79Å; E636-R640 PolarHBondContact OE1-NH2 2.93Å; E636-R640 IonicContact OE2-NH1 2.77Å
637	L	43.7	Very low	41.9	Very low	74 Å²	74	92.9 Å²	92.9	39%	0.387	48%	0.477	S	S	.	.	H	α-helix	trans	-69.2	-41.9	173.7	-81.3	164.9	0	0	0	112.3	L629 T633 I634 R635 R641	L629-L637 HydrophobicContact CD1-CD1 4.14Å; L629-L637 HydrophobicContact CD2-CD1 3.96Å; T633-L637 HydrophobicContact CG2-CD1 4.3Å; T633-L637 VanDerWaalsContact O-CB 3.31Å; T633-L637 WeakPolarHBondContact O-CB 3.36Å; T633-L637 VanDerWaalsContact O-CG 3.31Å; T633-L637 WeakPolarHBondContact O-CG 3.29Å; T633-L637 PolarHBondContact O-N 2.78Å; I634-L637 PolarHBondContact O-N 2.87Å; R635-L637 PolarHBondContact O-N 2.79Å; L637-R641 WeakPolarHBondContact O-CB 3.34Å; L637-R641 WeakPolarHBondContact O-CG 3.18Å; L637-R641 PolarHBondContact O-N 3.47Å
638	C	43.8	Very low	41.8	Very low	70 Å²	70	96 Å²	96	47%	0.473	49%	0.489	S	S	.	.	H	α-helix	trans	-67.8	-43.4	174.3	-72.2	0	0	0	0	111.5	I634 R635 R640 R641 C642	I634-C638 WeakPolarHBondContact O-CB 3.22Å; I634-C638 PolarHBondContact O-N 2.92Å; I634-C638 PolarHBondContact O-SG 3.37Å; I634-C638 VanDerWaalsContact O-SG 3.38Å; R635-C638 PolarHBondContact O-N 2.67Å; C638-R640 PolarHBondContact O-N 2.86Å; C638-R641 PolarHBondContact O-N 3.11Å; C638-C642 VanDerWaalsContact O-CB 3.3Å; C638-C642 WeakPolarHBondContact O-CB 3.09Å; C638-C642 PolarHBondContact O-N 2.7Å; C638-C642 PolarHBondContact O-SG 2.78Å
639	E	47.7	Very low	41.8	Very low	102 Å²	102	96.7 Å²	96.7	48%	0.477	51%	0.507	S	S	.	.	H	α-helix	trans	-63.3	-39	175.9	-76.2	173.4	-167.8	0	0	111.6	R635 V643	R635-E639 HydrophobicContact CG-CG 4.39Å; R635-E639 WeakPolarHBondContact CG-OE1 3.29Å; R635-E639 IonicContact CZ-OE1 3.1Å; R635-E639 VanDerWaalsContact NH1-CD 3.27Å; R635-E639 IonicContact NH1-OE1 2.74Å; R635-E639 PolarHBondContact NH1-OE1 2.79Å; R635-E639 IonicContact NH1-OE2 2.78Å; R635-E639 PolarHBondContact NH1-OE2 3.25Å; R635-E639 VanDerWaalsContact NH1-OE2 3.11Å; R635-E639 VanDerWaalsContact O-CB 3.26Å; R635-E639 WeakPolarHBondContact O-CB 3.11Å; R635-E639 VanDerWaalsContact O-CG 3.28Å; R635-E639 WeakPolarHBondContact O-CG 3.31Å; R635-E639 PolarHBondContact O-N 2.66Å; E639-V643 WeakPolarHBondContact O-CG2 3.18Å; E639-V643 PolarHBondContact O-N 3.02Å
640	R	47.6	Very low	41.9	Very low	137 Å²	137	95.8 Å²	95.8	52%	0.517	51%	0.513	S	S	.	.	H	α-helix	trans	-63.4	-54.1	170.4	-79.5	-175.6	176.2	113.4	15.2	112.3	E636 C638 C642 V643 D644	E636-R640 WeakPolarHBondContact O-CB 3.13Å; E636-R640 WeakPolarHBondContact O-CG 3.19Å; E636-R640 PolarHBondContact O-N 3.5Å; E636-R640 IonicContact OE1-CZ 3.08Å; E636-R640 IonicContact OE1-NH1 2.78Å; E636-R640 PolarHBondContact OE1-NH1 2.95Å; E636-R640 IonicContact OE1-NH2 3.79Å; E636-R640 PolarHBondContact OE1-NH2 2.93Å; E636-R640 IonicContact OE2-NH1 2.77Å; C638-R640 PolarHBondContact O-N 2.86Å; R640-C642 PolarHBondContact O-N 2.99Å; R640-V643 WeakPolarHBondContact O-CA 3.3Å; R640-V643 PolarHBondContact O-N 3.19Å; R640-D644 PolarHBondContact O-N 3.42Å
641	R	38.1	Very low	41.6	Very low	157 Å²	157	99.1 Å²	99.1	59%	0.592	53%	0.525	S	S	*	.	H	α-helix	trans	-56.5	-38.2	179.8	-79.1	-179.4	167.6	-175.1	-5.5	112.4	L637 C638 V643 S645	L637-R641 WeakPolarHBondContact O-CB 3.34Å; L637-R641 WeakPolarHBondContact O-CG 3.18Å; L637-R641 PolarHBondContact O-N 3.47Å; C638-R641 PolarHBondContact O-N 3.11Å; R641-V643 VanDerWaalsContact C-N 3.34Å; R641-S645 WeakPolarHBondContact O-CB 3.45Å; R641-S645 PolarHBondContact O-N 2.8Å; R641-S645 PolarHBondContact O-OG 2.83Å
642	C	41.5	Very low	41.4	Very low	77 Å²	77	99.5 Å²	99.5	52%	0.52	53%	0.527	S	S	.	.	H	α-helix	trans	-73.5	-17.5	175.7	-71.7	0	0	0	0	114.5	C638 R640 N646	C638-C642 VanDerWaalsContact O-CB 3.3Å; C638-C642 WeakPolarHBondContact O-CB 3.09Å; C638-C642 PolarHBondContact O-N 2.7Å; C638-C642 PolarHBondContact O-SG 2.78Å; R640-C642 PolarHBondContact O-N 2.99Å; C642-N646 PolarHBondContact O-ND2 3.31Å
643	V	41.9	Very low	41.1	Very low	82 Å²	82	101.3 Å²	101.3	50%	0.497	54%	0.54	S	S	.	.	H	α-helix	trans	-83.4	-50.6	169.4	168.8	0	0	0	0	109.7	E639 R640 R641 S645 N646 D647	E639-V643 WeakPolarHBondContact O-CG2 3.18Å; E639-V643 PolarHBondContact O-N 3.02Å; R640-V643 WeakPolarHBondContact O-CA 3.3Å; R640-V643 PolarHBondContact O-N 3.19Å; R641-V643 VanDerWaalsContact C-N 3.34Å; V643-S645 VanDerWaalsContact C-N 3.26Å; V643-S645 PolarHBondContact O-N 3.34Å; V643-N646 PolarHBondContact O-N 2.98Å; V643-D647 PolarHBondContact O-N 3.06Å
644	D	39.7	Very low	40.6	Very low	97 Å²	97	108.1 Å²	108.1	52%	0.519	57%	0.569	S	S	.	*	H	α-helix	trans	-55.4	-42.1	179.6	-60.9	-35.8	0	0	0	111.2	R640 N646 Q648	R640-D644 PolarHBondContact O-N 3.42Å; D644-N646 VanDerWaalsContact C-N 3.3Å; D644-N646 PolarHBondContact O-N 3.22Å; D644-Q648 PolarHBondContact O-N 3.33Å; D644-Q648 VanDerWaalsContact O-N 3.11Å
645	S	41.1	Very low	40.3	Very low	72 Å²	72	115.1 Å²	115.1	50%	0.503	60%	0.6	S	S	.	*	H	α-helix	trans	-70.2	-18.4	177.6	71.5	0	0	0	0	115.1	R641 V643	R641-S645 WeakPolarHBondContact O-CB 3.45Å; R641-S645 PolarHBondContact O-N 2.8Å; R641-S645 PolarHBondContact O-OG 2.83Å; V643-S645 VanDerWaalsContact C-N 3.26Å; V643-S645 PolarHBondContact O-N 3.34Å
646	N	39	Very low	39.6	Very low	107 Å²	107	112.3 Å²	112.3	57%	0.572	61%	0.606	S	S	*	*	H	α-helix	trans	-88.9	-39.5	175.4	-87.1	-72.5	0	0	0	111.5	C642 V643 D644 Q648 A649 A650	C642-N646 PolarHBondContact O-ND2 3.31Å; V643-N646 PolarHBondContact O-N 2.98Å; D644-N646 VanDerWaalsContact C-N 3.3Å; D644-N646 PolarHBondContact O-N 3.22Å; N646-Q648 VanDerWaalsContact C-N 3.27Å; N646-Q648 PolarHBondContact O-N 3.18Å; N646-A649 PolarHBondContact O-N 2.91Å; N646-A649 VanDerWaalsContact O-N 3.13Å; N646-A650 PolarHBondContact O-N 3.47Å
647	D	36.8	Very low	39.1	Very low	102 Å²	102	115.1 Å²	115.1	55%	0.545	63%	0.629	S	S	.	*	H	α-helix	trans	-69.8	-26.5	176.5	-72.9	-20.3	0	0	0	112	V643 N651	V643-D647 PolarHBondContact O-N 3.06Å; D647-N651 PolarHBondContact O-ND2 3.41Å
648	Q	36.9	Very low	38.7	Very low	154 Å²	154	116.4 Å²	116.4	72%	0.72	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	-35	169.3	-139.1	80.7	68.8	0	0	112.6	D644 N646	D644-Q648 PolarHBondContact O-N 3.33Å; D644-Q648 VanDerWaalsContact O-N 3.11Å; N646-Q648 VanDerWaalsContact C-N 3.27Å; N646-Q648 PolarHBondContact O-N 3.18Å
649	A	35.7	Very low	38.3	Very low	80 Å²	80	118.5 Å²	118.5	66%	0.661	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	-9	-177.9	0	0	0	0	0	113.9	N646	N646-A649 PolarHBondContact O-N 2.91Å; N646-A649 VanDerWaalsContact O-N 3.13Å
650	A	35.1	Very low	38	Very low	72 Å²	72	118.5 Å²	118.5	60%	0.595	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	1.3	-173.3	0	0	0	0	0	115	N646	N646-A650 PolarHBondContact O-N 3.47Å
651	N	35.5	Very low	37.5	Very low	133 Å²	133	119.1 Å²	119.1	71%	0.711	68%	0.68	S	S	*	*	S	Bend	trans	-108.5	-10.1	-170.5	-81.9	-79	0	0	0	116	D647	D647-N651 PolarHBondContact O-ND2 3.41Å
652	D	39.9	Very low	37.7	Very low	148 Å²	148	115.2 Å²	115.2	79%	0.791	68%	0.681	S	S	*	*	S	Bend	trans	-94.2	6.6	-174.9	-74.5	-31.3	0	0	0	115.1
653	N	38	Very low	37.5	Very low	150 Å²	150	118.8 Å²	118.8	80%	0.802	70%	0.695	S	S	*	*	S	Bend	trans	-142	85.3	178.9	-92.2	-55.7	0	0	0	112.9
654	E	34.9	Very low	37.3	Very low	192 Å²	192	120.6 Å²	120.6	90%	0.897	71%	0.706	S	S	*	*			trans	-171.2	67.6	146.2	-111.4	174	-147.8	0	0	114.3	G656	E654-G656 VanDerWaalsContact C-N 3.33Å; E654-G656 PolarHBondContact O-N 3.16Å; E654-G656 VanDerWaalsContact O-N 3.13Å
655	Q	35.8	Very low	37.1	Very low	216 Å²	216	126.9 Å²	126.9	100%	1.009	73%	0.725	S	S	*	*			trans	-80.4	79.5	160.4	-71.6	-168.2	3.3	0	0	109.9
656	G	34.1	Very low	36.8	Very low	52 Å²	52	127.2 Å²	127.2	54%	0.536	74%	0.739	S	S	.	*			trans	-143.1	35	-156.6	0	0	0	0	0	120.3	E654	E654-G656 VanDerWaalsContact C-N 3.33Å; E654-G656 PolarHBondContact O-N 3.16Å; E654-G656 VanDerWaalsContact O-N 3.13Å
657	T	35.3	Very low	36.5	Very low	144 Å²	144	130.1 Å²	130.1	88%	0.883	75%	0.754	S	S	*	*			trans	60.3	119.7	159.6	54.2	0	0	0	0	122
658	S	35.5	Very low	36.6	Very low	100 Å²	100	130 Å²	130	70%	0.699	76%	0.758	S	S	*	*			trans	93.3	96.9	133.2	-140.2	0	0	0	0	123
659	T	35.2	Very low	36.5	Very low	115 Å²	115	132 Å²	132	71%	0.706	77%	0.765	S	S	*	*				65.3	123.2	125.2	59	0	0	0	0	123.7
660	S	39.8	Very low	36.3	Very low	102 Å²	102	133 Å²	133	71%	0.713	77%	0.766	S	S	*	*			trans	69.8	141.6	135.1	68.8	0	0	0	0	120.1
661	D	38.3	Very low	36.2	Very low	149 Å²	149	139.5 Å²	139.5	80%	0.797	78%	0.781	S	S	*	*			cis	-164.4	171.3	-12.3	-123	-52.8	0	0	0	112.4
662	A	41.1	Very low	35.9	Very low	75 Å²	75	137.5 Å²	137.5	62%	0.62	78%	0.784	S	S	*	*			trans	54.6	105.1	158.6	0	0	0	0	0	119.7
663	N	37.7	Very low	35.4	Very low	152 Å²	152	135.4 Å²	135.4	81%	0.813	78%	0.781	S	S	*	*				77.9	126.2	81.2	-75.5	-38.3	0	0	0	117
664	T	38.9	Very low	35.1	Very low	121 Å²	121	137.2 Å²	137.2	74%	0.742	78%	0.781	S	S	*	*				157.3	112.1	120.1	-67.7	0	0	0	0	114.8
665	Y	35.2	Very low	34.9	Very low	229 Å²	229	138.4 Å²	138.4	90%	0.898	78%	0.783	S	S	*	*			trans	27.2	136	146.2	-64.3	-101.5	0	0	0	123.4
666	G	34.6	Very low	34.5	Very low	78 Å²	78	132.6 Å²	132.6	80%	0.804	77%	0.773	S	S	*	*			trans	169.4	87.9	156.5	0	0	0	0	0	119.1
667	L	33.2	Very low	34.1	Very low	168 Å²	168	135.9 Å²	135.9	88%	0.88	79%	0.786	S	S	*	*			trans	-86.8	172.1	163.6	-101.5	80.8	0	0	0	111.1
668	P	39	Very low	33.7	Very low	100 Å²	100	134.4 Å²	134.4	65%	0.649	78%	0.78	S	S	*	*			cis	-136.4	167.6	-46.4	38.7	-23.4	0	0	0	112.8
669	K	33.9	Very low	33.4	Very low	197 Å²	197	135.7 Å²	135.7	86%	0.857	79%	0.786	S	S	*	*			trans	177.3	136	143	-103.4	153.9	-171.4	172.8	0	117.1
670	S	32.5	Very low	33	Very low	99 Å²	99	140.5 Å²	140.5	69%	0.692	79%	0.791	S	S	*	*			trans	41.4	126.2	143.4	65.3	0	0	0	0	123.4
671	K	32.4	Very low	32.6	Very low	209 Å²	209	140.8 Å²	140.8	91%	0.909	80%	0.8	S	S	*	*			trans	53.5	97.7	140.9	-62.2	-176.4	178.1	-175.8	0	118.6
672	A	28.8	Very low	32.3	Very low	92 Å²	92	143.5 Å²	143.5	76%	0.76	80%	0.799	S	S	*	*				165.1	149	111.7	0	0	0	0	0	114.5
673	S	28.9	Very low	32.2	Very low	104 Å²	104	146 Å²	146	73%	0.727	80%	0.798	S	S	*	*			trans	70.3	164.3	158.2	80.7	0	0	0	0	119.3
674	K	32.2	Very low	32.4	Very low	188 Å²	188	141.4 Å²	141.4	82%	0.817	78%	0.777	S	S	*	*			trans	67.1	115.1	-175.5	-51.7	177.6	-174	179.7	0	112.4
675	K	31	Very low	32.6	Very low	216 Å²	216	140.4 Å²	140.4	94%	0.939	77%	0.768	S	S	*	*			cis	66.7	65.9	16.9	-107.3	-165.3	-178	-169.6	0	114.3
676	A	27	Very low	33.2	Very low	95 Å²	95	134.5 Å²	134.5	79%	0.785	75%	0.748	S	S	*	*			trans	-170.5	147.9	162.9	0	0	0	0	0	107.1
677	C	26.8	Very low	33.7	Very low	121 Å²	121	133.8 Å²	133.8	82%	0.818	73%	0.726	S	S	*	*			cis	-152.4	137.6	-18	-163.3	0	0	0	0	107.6
678	C	25.6	Very low	34.3	Very low	112 Å²	112	130.4 Å²	130.4	76%	0.757	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-88.5	134.9	172.6	-60.2	0	0	0	0	109.7
679	P	28.9	Very low	34.7	Very low	128 Å²	128	128.7 Å²	128.7	83%	0.831	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-54	143.1	160.7	-22.9	34.5	0	0	0	110.2
680	R	27.1	Very low	35.6	Very low	215 Å²	215	126.6 Å²	126.6	81%	0.811	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-78.9	131.4	-173.6	-78.5	173.5	162.9	162.9	-6.5	111.3	R682	R680-R682 HydrophobicContact CB-CB 4.27Å; R680-R682 HydrophobicContact CB-CG 4.38Å; R680-R682 PolarHBondContact O-N 2.98Å
681	A	31.8	Very low	36.3	Very low	108 Å²	108	127 Å²	127	89%	0.893	67%	0.674	S	S	*	*	S	Bend	trans	-66.4	80.7	161.4	0	0	0	0	0	110.2
682	R	32	Very low	37	Very low	206 Å²	206	121.4 Å²	121.4	78%	0.777	65%	0.654	S	S	*	*			trans	-148.9	27.9	-177.9	-80.6	-158.8	175.3	-160	-3.8	114.2	R680	R680-R682 HydrophobicContact CB-CB 4.27Å; R680-R682 HydrophobicContact CB-CG 4.38Å; R680-R682 PolarHBondContact O-N 2.98Å
683	Q	39.1	Very low	37.8	Very low	129 Å²	129	120.4 Å²	120.4	60%	0.603	64%	0.641	S	S	*	*			trans	-65.3	132.3	147.3	-92.8	178	-32.6	0	0	107.2	D687	Q683-D687 HydrophobicContact CB-CB 4.2Å; Q683-D687 HydrophobicContact CG-CB 4.11Å
684	S	42.1	Very low	39	Very low	54 Å²	54	117.4 Å²	117.4	38%	0.378	63%	0.626	S	S	.	*			trans	-65.9	160.7	170.9	69	0	0	0	0	110	E686 D687 K688	S684-E686 PolarHBondContact O-N 3.31Å; S684-E686 PolarHBondContact OG-N 3.35Å; S684-D687 WeakPolarHBondContact CA-OD2 3.1Å; S684-D687 WeakPolarHBondContact CB-OD2 3.41Å; S684-D687 PolarHBondContact N-OD2 2.87Å; S684-D687 PolarHBondContact O-N 2.84Å; S684-D687 PolarHBondContact OG-N 3.46Å; S684-D687 PolarHBondContact OG-OD2 3.49Å; S684-K688 PolarHBondContact O-N 2.88Å
685	D	43.6	Very low	39.8	Very low	100 Å²	100	113.1 Å²	113.1	54%	0.535	61%	0.608	S	S	.	*	H	α-helix	trans	-67.2	-22.3	172.4	-66.4	-49.1	0	0	0	111.6	K688 K689	D685-K688 WeakPolarHBondContact O-CB 3.4Å; D685-K688 PolarHBondContact O-N 3.12Å; D685-K688 WeakPolarHBondContact OD1-CE 3.25Å; D685-K688 IonicContact OD1-NZ 2.67Å; D685-K688 PolarHBondContact OD1-NZ 3.12Å; D685-K689 WeakPolarHBondContact O-CG 3.28Å; D685-K689 PolarHBondContact O-N 2.7Å
686	E	46	Very low	40.6	Very low	105 Å²	105	105.7 Å²	105.7	49%	0.491	58%	0.576	S	S	.	*	H	α-helix	trans	-71.3	-38.1	172.9	-50.3	-43.7	-81.8	0	0	111.8	S684 K688 K689 Q690	S684-E686 PolarHBondContact O-N 3.31Å; S684-E686 PolarHBondContact OG-N 3.35Å; E686-K688 PolarHBondContact O-N 3.25Å; E686-K689 PolarHBondContact O-N 3.31Å; E686-K689 IonicContact OE1-NZ 3.26Å; E686-K689 PolarHBondContact OE1-NZ 2.86Å; E686-K689 WeakPolarHBondContact OE2-CE 3.39Å; E686-K689 IonicContact OE2-NZ 3.68Å; E686-K689 PolarHBondContact OE2-NZ 3.43Å; E686-Q690 VanDerWaalsContact O-CB 3.28Å; E686-Q690 WeakPolarHBondContact O-CB 3.38Å; E686-Q690 PolarHBondContact O-N 3.1Å
687	D	45.9	Very low	41.9	Very low	64 Å²	64	106.4 Å²	106.4	34%	0.342	56%	0.563	S	S	.	*	H	α-helix	trans	-57.8	-39.6	171	-61.8	-65.7	0	0	0	110.6	Q683 S684 N691	Q683-D687 HydrophobicContact CB-CB 4.2Å; Q683-D687 HydrophobicContact CG-CB 4.11Å; S684-D687 WeakPolarHBondContact CA-OD2 3.1Å; S684-D687 WeakPolarHBondContact CB-OD2 3.41Å; S684-D687 PolarHBondContact N-OD2 2.87Å; S684-D687 PolarHBondContact O-N 2.84Å; S684-D687 PolarHBondContact OG-N 3.46Å; S684-D687 PolarHBondContact OG-OD2 3.49Å; D687-N691 PolarHBondContact O-N 3.35Å; D687-N691 PolarHBondContact O-ND2 3Å
688	K	46.1	Very low	43	Very low	97 Å²	97	102.4 Å²	102.4	42%	0.422	54%	0.538	S	S	.	.	H	α-helix	trans	-69.4	-47.2	177.7	-59.6	172.8	-160.9	160.9	0	111.4	S684 D685 E686 Q690 N691 L692	S684-K688 PolarHBondContact O-N 2.88Å; D685-K688 WeakPolarHBondContact O-CB 3.4Å; D685-K688 PolarHBondContact O-N 3.12Å; D685-K688 WeakPolarHBondContact OD1-CE 3.25Å; D685-K688 IonicContact OD1-NZ 2.67Å; D685-K688 PolarHBondContact OD1-NZ 3.12Å; E686-K688 PolarHBondContact O-N 3.25Å; K688-Q690 VanDerWaalsContact C-N 3.32Å; K688-Q690 PolarHBondContact O-N 2.7Å; K688-N691 PolarHBondContact O-N 2.86Å; K688-L692 WeakPolarHBondContact O-CB 3.27Å; K688-L692 PolarHBondContact O-N 2.67Å
689	K	47.4	Very low	44	Very low	64 Å²	64	99.2 Å²	99.2	28%	0.278	52%	0.516	S	S	.	.	H	α-helix	trans	-58.3	-42.7	175.3	-73.8	176.2	-169.7	161.7	0	111.7	D685 E686 N691 L692 S693	D685-K689 WeakPolarHBondContact O-CG 3.28Å; D685-K689 PolarHBondContact O-N 2.7Å; E686-K689 PolarHBondContact O-N 3.31Å; E686-K689 IonicContact OE1-NZ 3.26Å; E686-K689 PolarHBondContact OE1-NZ 2.86Å; E686-K689 WeakPolarHBondContact OE2-CE 3.39Å; E686-K689 IonicContact OE2-NZ 3.68Å; E686-K689 PolarHBondContact OE2-NZ 3.43Å; K689-N691 PolarHBondContact O-N 3.48Å; K689-L692 PolarHBondContact O-N 2.88Å; K689-S693 VanDerWaalsContact O-CB 3.22Å; K689-S693 WeakPolarHBondContact O-CB 3.43Å; K689-S693 PolarHBondContact O-N 3.35Å
690	Q	51.9	Low	45	Very low	152 Å²	152	100 Å²	100	71%	0.71	51%	0.508	S	S	*	.	H	α-helix	trans	-67.3	-38	-177.4	-158	167.9	34.7	0	0	111.3	E686 K688 G694	E686-Q690 VanDerWaalsContact O-CB 3.28Å; E686-Q690 WeakPolarHBondContact O-CB 3.38Å; E686-Q690 PolarHBondContact O-N 3.1Å; K688-Q690 VanDerWaalsContact C-N 3.32Å; K688-Q690 PolarHBondContact O-N 2.7Å; Q690-G694 PolarHBondContact O-N 2.92Å
691	N	47.5	Very low	46.3	Very low	108 Å²	108	93.6 Å²	93.6	58%	0.578	49%	0.487	S	S	*	.	H	α-helix	trans	-67.8	-40.8	170.6	-77.1	-68.3	0	0	0	112.9	D687 K688 K689 G694 F695	D687-N691 PolarHBondContact O-N 3.35Å; D687-N691 PolarHBondContact O-ND2 3Å; K688-N691 PolarHBondContact O-N 2.86Å; K689-N691 PolarHBondContact O-N 3.48Å; N691-G694 PolarHBondContact O-N 3.42Å; N691-F695 WeakPolarHBondContact O-CB 3.37Å; N691-F695 PolarHBondContact O-N 3.47Å
692	L	47.3	Very low	47.1	Very low	92 Å²	92	89.9 Å²	89.9	48%	0.482	46%	0.457	S	S	.	.	H	α-helix	trans	-65	-41.1	174.9	-93.1	155.7	0	0	0	112.6	K688 K689 F695 F696	K688-L692 WeakPolarHBondContact O-CB 3.27Å; K688-L692 PolarHBondContact O-N 2.67Å; K689-L692 PolarHBondContact O-N 2.88Å; L692-F695 WeakPolarHBondContact O-CB 3.34Å; L692-F695 PolarHBondContact O-N 3.04Å; L692-F696 HydrophobicContact CD2-CE2 3.94Å; L692-F696 WeakPolarHBondContact O-CD2 3.37Å; L692-F696 PolarHBondContact O-N 2.83Å
693	S	46.5	Very low	47.7	Very low	71 Å²	71	81.2 Å²	81.2	50%	0.497	43%	0.431	S	S	.	.	H	α-helix	trans	-62.9	-47	175.5	-177.9	0	0	0	0	110.9	K689 F695 F696 Q697	K689-S693 VanDerWaalsContact O-CB 3.22Å; K689-S693 WeakPolarHBondContact O-CB 3.43Å; K689-S693 PolarHBondContact O-N 3.35Å; S693-F695 VanDerWaalsContact C-N 3.32Å; S693-F695 PolarHBondContact O-N 3.08Å; S693-F696 PolarHBondContact O-N 3.08Å; S693-Q697 WeakPolarHBondContact O-CB 3.34Å; S693-Q697 PolarHBondContact O-N 3.2Å
694	G	53.1	Low	48.4	Very low	40 Å²	40	79.2 Å²	79.2	41%	0.412	44%	0.437	S	S	.	.	H	α-helix	trans	-59.7	-39.1	172.9	0	0	0	0	0	113.3	Q690 N691 A698	Q690-G694 PolarHBondContact O-N 2.92Å; N691-G694 PolarHBondContact O-N 3.42Å; G694-A698 WeakPolarHBondContact O-CB 3.39Å; G694-A698 PolarHBondContact O-N 3.13Å
695	F	48.4	Very low	48.9	Very low	99 Å²	99	85.6 Å²	85.6	43%	0.434	45%	0.453	S	S	.	.	H	α-helix	trans	-62.7	-48.6	173.1	169.9	-95.9	0	0	0	112.2	N691 L692 S693 A698 V699 M722	N691-F695 WeakPolarHBondContact O-CB 3.37Å; N691-F695 PolarHBondContact O-N 3.47Å; L692-F695 WeakPolarHBondContact O-CB 3.34Å; L692-F695 PolarHBondContact O-N 3.04Å; S693-F695 VanDerWaalsContact C-N 3.32Å; S693-F695 PolarHBondContact O-N 3.08Å; F695-A698 PolarHBondContact O-N 3.29Å; F695-V699 HydrophobicContact CE1-CG2 4.15Å; F695-V699 HydrophobicContact CE2-CG2 4.18Å; F695-V699 HydrophobicContact CZ-CG2 3.95Å; F695-V699 WeakPolarHBondContact O-CG2 3.18Å; F695-V699 PolarHBondContact O-N 3.22Å; F695-M722 HydrophobicContact CD2-CE 4.3Å; F695-M722 HydrophobicContact CE2-CE 4.31Å
696	F	48.5	Very low	49.1	Very low	60 Å²	60	88.2 Å²	88.2	26%	0.263	46%	0.459	S	S	.	.	H	α-helix	trans	-65.4	-40.1	178.5	-75.8	-59.9	0	0	0	112.4	L692 S693 A698 V699 E700	L692-F696 HydrophobicContact CD2-CE2 3.94Å; L692-F696 WeakPolarHBondContact O-CD2 3.37Å; L692-F696 PolarHBondContact O-N 2.83Å; S693-F696 PolarHBondContact O-N 3.08Å; F696-A698 VanDerWaalsContact C-N 3.34Å; F696-A698 PolarHBondContact O-N 3.44Å; F696-V699 PolarHBondContact O-N 2.92Å; F696-E700 PolarHBondContact O-N 2.85Å
697	Q	55.2	Low	49	Very low	110 Å²	110	88.4 Å²	88.4	51%	0.514	47%	0.469	S	S	.	.	H	α-helix	trans	-60.8	-42.5	174.3	-174.8	-179.6	-23.9	0	0	111.5	S693 V699 E700 E701	S693-Q697 WeakPolarHBondContact O-CB 3.34Å; S693-Q697 PolarHBondContact O-N 3.2Å; Q697-V699 VanDerWaalsContact C-N 3.33Å; Q697-V699 PolarHBondContact O-N 3.4Å; Q697-E700 PolarHBondContact O-N 3.11Å; Q697-E701 HydrophobicContact CG-CG 4.47Å; Q697-E701 PolarHBondContact NE2-OE1 3.4Å; Q697-E701 WeakPolarHBondContact O-CB 3.39Å; Q697-E701 WeakPolarHBondContact O-CG 3.3Å; Q697-E701 PolarHBondContact O-N 2.8Å
698	A	49	Very low	48.8	Very low	36 Å²	36	89 Å²	89	30%	0.298	47%	0.472	S	S	.	.	H	α-helix	trans	-62	-39.8	175.1	0	0	0	0	0	112.3	G694 F695 F696 A702 M722	G694-A698 WeakPolarHBondContact O-CB 3.39Å; G694-A698 PolarHBondContact O-N 3.13Å; F695-A698 PolarHBondContact O-N 3.29Å; F696-A698 VanDerWaalsContact C-N 3.34Å; F696-A698 PolarHBondContact O-N 3.44Å; A698-A702 VanDerWaalsContact O-CB 3.28Å; A698-A702 WeakPolarHBondContact O-CB 3.34Å; A698-A702 PolarHBondContact O-N 3.35Å; A698-M722 HydrophobicContact CB-CE 4.21Å; A698-M722 HydrophobicContact CB-SD 4.41Å
699	V	46.3	Very low	48.4	Very low	46 Å²	46	89.7 Å²	89.7	28%	0.279	48%	0.48	S	S	.	.	H	α-helix	trans	-65.6	-42.5	175.4	171.6	0	0	0	0	111.6	F695 F696 Q697 G703 F718	F695-V699 HydrophobicContact CE1-CG2 4.15Å; F695-V699 HydrophobicContact CE2-CG2 4.18Å; F695-V699 HydrophobicContact CZ-CG2 3.95Å; F695-V699 WeakPolarHBondContact O-CG2 3.18Å; F695-V699 PolarHBondContact O-N 3.22Å; F696-V699 PolarHBondContact O-N 2.92Å; Q697-V699 VanDerWaalsContact C-N 3.33Å; Q697-V699 PolarHBondContact O-N 3.4Å; V699-G703 PolarHBondContact O-N 3.28Å; V699-F718 HydrophobicContact CG2-CE1 4.44Å
700	E	49.7	Very low	47.8	Very low	144 Å²	144	90.3 Å²	90.3	67%	0.673	50%	0.504	S	S	*	.	H	α-helix	trans	-66.5	-46.3	176.1	-72.4	-167.3	161.2	0	0	112	F696 Q697 A702 G703 A704	F696-E700 PolarHBondContact O-N 2.85Å; Q697-E700 PolarHBondContact O-N 3.11Å; E700-A702 PolarHBondContact O-N 2.94Å; E700-G703 PolarHBondContact O-N 3.41Å; E700-A704 VanDerWaalsContact O-CB 3.32Å; E700-A704 WeakPolarHBondContact O-CB 3.27Å; E700-A704 PolarHBondContact O-N 2.95Å
701	E	55.8	Low	47.2	Very low	81 Å²	81	88.2 Å²	88.2	38%	0.379	49%	0.493	S	S	.	.	H	α-helix	trans	-61.7	-43.7	177.6	-79	-165	-139.9	0	0	112.5	Q697 A704 R705	Q697-E701 HydrophobicContact CG-CG 4.47Å; Q697-E701 PolarHBondContact NE2-OE1 3.4Å; Q697-E701 WeakPolarHBondContact O-CB 3.39Å; Q697-E701 WeakPolarHBondContact O-CG 3.3Å; Q697-E701 PolarHBondContact O-N 2.8Å; E701-A704 PolarHBondContact O-N 2.77Å; E701-R705 WeakPolarHBondContact O-CG 3.45Å; E701-R705 PolarHBondContact O-N 3.27Å; E701-R705 VanDerWaalsContact O-N 3.12Å; E701-R705 IonicContact OE2-CZ 3.74Å; E701-R705 IonicContact OE2-NH2 3.11Å; E701-R705 PolarHBondContact OE2-NH2 2.98Å
702	A	48.2	Very low	46.8	Very low	30 Å²	30	88.1 Å²	88.1	25%	0.248	49%	0.488	C	S	.	.	H	α-helix	trans	-73.3	-35	179.1	0	0	0	0	0	112	A698 E700 A704 R705 K706 F718	A698-A702 VanDerWaalsContact O-CB 3.28Å; A698-A702 WeakPolarHBondContact O-CB 3.34Å; A698-A702 PolarHBondContact O-N 3.35Å; E700-A702 PolarHBondContact O-N 2.94Å; A702-A704 VanDerWaalsContact C-N 3.35Å; A702-R705 PolarHBondContact O-N 3.46Å; A702-K706 PolarHBondContact O-N 2.87Å; A702-F718 HydrophobicContact CB-CD2 4.43Å; A702-F718 HydrophobicContact CB-CE1 4.48Å; A702-F718 HydrophobicContact CB-CE2 3.4Å; A702-F718 VanDerWaalsContact CB-CE2 3.4Å; A702-F718 HydrophobicContact CB-CZ 3.44Å; A702-F718 VanDerWaalsContact CB-CZ 3.44Å
703	G	44.2	Very low	46.7	Very low	23 Å²	23	90 Å²	90	24%	0.237	49%	0.492	C	S	.	.	H	α-helix	trans	-66.4	-31.7	171.8	0	0	0	0	0	113.8	V699 E700 K706	V699-G703 PolarHBondContact O-N 3.28Å; E700-G703 PolarHBondContact O-N 3.41Å; G703-K706 CarbonylContact O-C 3.47Å; G703-K706 VanDerWaalsContact O-C 3.25Å
704	A	53.8	Low	46.6	Very low	88 Å²	88	89.7 Å²	89.7	73%	0.727	48%	0.483	S	S	*	.	H	α-helix	trans	-71.5	-34	171.5	0	0	0	0	0	112.4	E700 E701 A702	E700-A704 VanDerWaalsContact O-CB 3.32Å; E700-A704 WeakPolarHBondContact O-CB 3.27Å; E700-A704 PolarHBondContact O-N 2.95Å; E701-A704 PolarHBondContact O-N 2.77Å; A702-A704 VanDerWaalsContact C-N 3.35Å
705	R	53.5	Low	46	Very low	188 Å²	188	91.5 Å²	91.5	71%	0.709	48%	0.482	S	S	*	.	H	α-helix	trans	-75.2	-29.3	177.6	-67.9	168.5	-158.8	-157.4	8.2	113.1	E701 A702	E701-R705 WeakPolarHBondContact O-CG 3.45Å; E701-R705 PolarHBondContact O-N 3.27Å; E701-R705 VanDerWaalsContact O-N 3.12Å; E701-R705 IonicContact OE2-CZ 3.74Å; E701-R705 IonicContact OE2-NH2 3.11Å; E701-R705 PolarHBondContact OE2-NH2 2.98Å; A702-R705 PolarHBondContact O-N 3.46Å
706	K	46.9	Very low	45.7	Very low	155 Å²	155	89.3 Å²	89.3	67%	0.674	48%	0.478	S	S	*	.	S	Bend	trans	-144	121.5	169.6	-75.3	-179	-179	170.7	0	110.8	A702 G703 L708	A702-K706 PolarHBondContact O-N 2.87Å; G703-K706 CarbonylContact O-C 3.47Å; G703-K706 VanDerWaalsContact O-C 3.25Å; K706-L708 PolarHBondContact O-N 2.67Å
707	P	44.1	Very low	45.5	Very low	108 Å²	108	90.3 Å²	90.3	70%	0.701	48%	0.484	S	S	*	.			trans	-62.9	122.2	173.9	26.4	-33.5	0	0	0	110.3	L709	P707-L709 PolarHBondContact O-N 2.61Å
708	L	40.6	Very low	44.7	Very low	77 Å²	77	86.9 Å²	86.9	40%	0.403	47%	0.467	S	S	.	.			trans	-68.6	86.3	-178.4	-71.7	170.8	0	0	0	111.6	K706 F718	K706-L708 PolarHBondContact O-N 2.67Å; L708-F718 HydrophobicContact CD1-CE2 4.37Å; L708-F718 HydrophobicContact CD1-CZ 4.39Å; L708-F718 HydrophobicContact CD2-CB 4.45Å; L708-F718 HydrophobicContact CD2-CD2 3.64Å; L708-F718 HydrophobicContact CD2-CE2 3.9Å; L708-F718 HydrophobicContact CD2-CG 4.13Å; L708-F718 HydrophobicContact CG-CE2 4.41Å
709	L	37.8	Very low	44.2	Very low	111 Å²	111	89 Å²	89	58%	0.581	47%	0.473	S	S	*	.			trans	-67.8	132.6	168.1	-67.6	169.7	0	0	0	109.1	P707 K711	P707-L709 PolarHBondContact O-N 2.61Å; L709-K711 PolarHBondContact O-N 3.47Å
710	G	36.4	Very low	44	Very low	77 Å²	77	91.9 Å²	91.9	79%	0.794	49%	0.487	S	S	*	.	S	Bend	trans	-72.1	47.7	-165.1	0	0	0	0	0	117.1
711	K	39.2	Very low	43.5	Very low	109 Å²	109	91.3 Å²	91.3	47%	0.474	49%	0.487	S	S	.	.			trans	-94.7	132.3	171.7	-50.4	-162.3	-154.1	73.3	0	109.9	L709 K713 E714 I715	L709-K711 PolarHBondContact O-N 3.47Å; K711-K713 PolarHBondContact O-N 2.94Å; K711-K713 VanDerWaalsContact O-N 3.07Å; K711-E714 HydrophobicContact CB-CB 4.45Å; K711-E714 VanDerWaalsContact CD-OE1 3.25Å; K711-E714 WeakPolarHBondContact CD-OE1 3.27Å; K711-E714 WeakPolarHBondContact CE-OE1 3.5Å; K711-E714 IonicContact NZ-OE1 2.67Å; K711-E714 PolarHBondContact NZ-OE1 3.36Å; K711-E714 IonicContact NZ-OE2 3.54Å; K711-E714 PolarHBondContact NZ-OE2 3.26Å; K711-E714 PolarHBondContact O-N 3.4Å; K711-I715 PolarHBondContact O-N 3.26Å
712	K	39	Very low	42.4	Very low	106 Å²	106	91.4 Å²	91.4	46%	0.461	49%	0.488	S	S	.	.	H	α-helix	trans	-46.8	-42.8	176.5	-162.6	166.7	-173.3	162.5	0	112.1	Y622 D625 I715 C716	Y622-K712 HydrophobicContact CE1-CD 4.5Å; Y622-K712 VanDerWaalsContact OH-CB 3.25Å; Y622-K712 WeakPolarHBondContact OH-CB 3.17Å; Y622-K712 WeakPolarHBondContact OH-CD 3.38Å; Y622-K712 VanDerWaalsContact OH-CG 3.3Å; Y622-K712 WeakPolarHBondContact OH-CG 3.47Å; D625-K712 IonicContact OD2-NZ 3.96Å; K712-I715 PolarHBondContact O-N 3.03Å; K712-C716 WeakPolarHBondContact O-CB 3.33Å; K712-C716 PolarHBondContact O-N 2.84Å; K712-C716 PolarHBondContact O-SG 2.79Å
713	K	43.8	Very low	41.7	Very low	131 Å²	131	98.7 Å²	98.7	57%	0.57	52%	0.517	S	S	*	.	H	α-helix	trans	-61.7	-42	178.8	-173.6	175.5	178.9	-71	0	113.5	K711 C716 E717	K711-K713 PolarHBondContact O-N 2.94Å; K711-K713 VanDerWaalsContact O-N 3.07Å; K713-C716 PolarHBondContact O-N 3.39Å; K713-E717 WeakPolarHBondContact CE-OE1 3.46Å; K713-E717 HydrophobicContact CG-CG 4.4Å; K713-E717 IonicContact NZ-OE1 3.74Å; K713-E717 PolarHBondContact NZ-OE1 2.95Å; K713-E717 IonicContact NZ-OE2 2.7Å; K713-E717 PolarHBondContact NZ-OE2 3.3Å; K713-E717 VanDerWaalsContact O-CB 3.3Å; K713-E717 WeakPolarHBondContact O-CB 3.23Å; K713-E717 VanDerWaalsContact O-CG 3.28Å; K713-E717 WeakPolarHBondContact O-CG 3.44Å; K713-E717 PolarHBondContact O-N 3.35Å
714	E	44.4	Very low	41.6	Very low	65 Å²	65	102.5 Å²	102.5	30%	0.304	53%	0.531	S	S	.	.	H	α-helix	trans	-72.3	-31.7	-179.5	-80.5	148.1	-129.5	0	0	111.8	K711 F718	K711-E714 HydrophobicContact CB-CB 4.45Å; K711-E714 VanDerWaalsContact CD-OE1 3.25Å; K711-E714 WeakPolarHBondContact CD-OE1 3.27Å; K711-E714 WeakPolarHBondContact CE-OE1 3.5Å; K711-E714 IonicContact NZ-OE1 2.67Å; K711-E714 PolarHBondContact NZ-OE1 3.36Å; K711-E714 IonicContact NZ-OE2 3.54Å; K711-E714 PolarHBondContact NZ-OE2 3.26Å; K711-E714 PolarHBondContact O-N 3.4Å; E714-F718 VanDerWaalsContact O-CB 3.3Å; E714-F718 WeakPolarHBondContact O-CB 3.04Å; E714-F718 PolarHBondContact O-N 2.88Å
715	I	41.7	Very low	41	Very low	77 Å²	77	103.3 Å²	103.3	40%	0.395	52%	0.521	S	S	.	.	H	α-helix	trans	-72.8	-43.3	173	-62	168.2	0	0	0	111	K711 K712 F718 L719	K711-I715 PolarHBondContact O-N 3.26Å; K712-I715 PolarHBondContact O-N 3.03Å; I715-F718 PolarHBondContact O-N 3.23Å; I715-L719 HydrophobicContact CG2-CD1 4.38Å; I715-L719 WeakPolarHBondContact O-CG 3.39Å; I715-L719 PolarHBondContact O-N 3.19Å; I715-L719 VanDerWaalsContact O-N 3.12Å
716	C	40.8	Very low	40.3	Very low	53 Å²	53	98.6 Å²	98.6	36%	0.358	51%	0.51	S	S	.	.	H	α-helix	trans	-63.6	-46.2	174.1	-67.9	0	0	0	0	111.4	K712 K713 F718 L719 D720	K712-C716 WeakPolarHBondContact O-CB 3.33Å; K712-C716 PolarHBondContact O-N 2.84Å; K712-C716 PolarHBondContact O-SG 2.79Å; K713-C716 PolarHBondContact O-N 3.39Å; C716-F718 VanDerWaalsContact C-N 3.25Å; C716-F718 PolarHBondContact O-N 3.25Å; C716-L719 CarbonylContact O-C 3.58Å; C716-L719 PolarHBondContact O-N 2.92Å; C716-D720 WeakPolarHBondContact O-CB 3.34Å; C716-D720 VanDerWaalsContact O-CG 3.32Å; C716-D720 PolarHBondContact O-N 2.97Å
717	E	45.2	Very low	39.9	Very low	81 Å²	81	95.2 Å²	95.2	38%	0.379	50%	0.501	S	S	.	.	H	α-helix	trans	-61.5	-32.5	175.7	-75.3	176.4	143.2	0	0	112.3	K713 I721	K713-E717 WeakPolarHBondContact CE-OE1 3.46Å; K713-E717 HydrophobicContact CG-CG 4.4Å; K713-E717 IonicContact NZ-OE1 3.74Å; K713-E717 PolarHBondContact NZ-OE1 2.95Å; K713-E717 IonicContact NZ-OE2 2.7Å; K713-E717 PolarHBondContact NZ-OE2 3.3Å; K713-E717 VanDerWaalsContact O-CB 3.3Å; K713-E717 WeakPolarHBondContact O-CB 3.23Å; K713-E717 VanDerWaalsContact O-CG 3.28Å; K713-E717 WeakPolarHBondContact O-CG 3.44Å; K713-E717 PolarHBondContact O-N 3.35Å; E717-I721 WeakPolarHBondContact O-CB 3.44Å; E717-I721 VanDerWaalsContact O-CD1 3.24Å; E717-I721 WeakPolarHBondContact O-CD1 3.42Å; E717-I721 WeakPolarHBondContact O-CG1 3.39Å; E717-I721 PolarHBondContact O-N 2.7Å
718	F	38.2	Very low	39.6	Very low	39 Å²	39	94.4 Å²	94.4	17%	0.171	49%	0.488	C	S	.	.	H	α-helix	trans	-67.7	-35.6	173.8	-169.7	-86.4	0	0	0	112.5	V699 A702 L708 E714 I715 C716 M722	V699-F718 HydrophobicContact CG2-CE1 4.44Å; A702-F718 HydrophobicContact CB-CD2 4.43Å; A702-F718 HydrophobicContact CB-CE1 4.48Å; A702-F718 HydrophobicContact CB-CE2 3.4Å; A702-F718 VanDerWaalsContact CB-CE2 3.4Å; A702-F718 HydrophobicContact CB-CZ 3.44Å; A702-F718 VanDerWaalsContact CB-CZ 3.44Å; L708-F718 HydrophobicContact CD1-CE2 4.37Å; L708-F718 HydrophobicContact CD1-CZ 4.39Å; L708-F718 HydrophobicContact CD2-CB 4.45Å; L708-F718 HydrophobicContact CD2-CD2 3.64Å; L708-F718 HydrophobicContact CD2-CE2 3.9Å; L708-F718 HydrophobicContact CD2-CG 4.13Å; L708-F718 HydrophobicContact CG-CE2 4.41Å; E714-F718 VanDerWaalsContact O-CB 3.3Å; E714-F718 WeakPolarHBondContact O-CB 3.04Å; E714-F718 PolarHBondContact O-N 2.88Å; I715-F718 PolarHBondContact O-N 3.23Å; C716-F718 VanDerWaalsContact C-N 3.25Å; C716-F718 PolarHBondContact O-N 3.25Å; F718-M722 WeakPolarHBondContact O-CG 3.49Å
719	L	38	Very low	39.5	Very low	79 Å²	79	95.6 Å²	95.6	41%	0.414	49%	0.494	S	S	.	.	H	α-helix	trans	-75.6	-38.9	174.5	-66.9	167.2	0	0	0	112	I715 C716 I721 M722	I715-L719 HydrophobicContact CG2-CD1 4.38Å; I715-L719 WeakPolarHBondContact O-CG 3.39Å; I715-L719 PolarHBondContact O-N 3.19Å; I715-L719 VanDerWaalsContact O-N 3.12Å; C716-L719 CarbonylContact O-C 3.58Å; C716-L719 PolarHBondContact O-N 2.92Å; L719-I721 VanDerWaalsContact C-N 3.27Å; L719-I721 PolarHBondContact O-N 2.84Å; L719-M722 PolarHBondContact O-N 3.06Å; L719-M722 VanDerWaalsContact O-N 3.14Å
720	D	43	Very low	39.7	Very low	108 Å²	108	94.5 Å²	94.5	58%	0.578	49%	0.488	S	S	*	.	H	α-helix	trans	-72.6	-16.2	176.3	-66.2	-34.1	0	0	0	112.9	C716	C716-D720 WeakPolarHBondContact O-CB 3.34Å; C716-D720 VanDerWaalsContact O-CG 3.32Å; C716-D720 PolarHBondContact O-N 2.97Å
721	I	39.5	Very low	39.9	Very low	132 Å²	132	95.8 Å²	95.8	68%	0.677	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-8.2	171.5	-72.2	166.3	0	0	0	111.8	E717 L719 H723	E717-I721 WeakPolarHBondContact O-CB 3.44Å; E717-I721 VanDerWaalsContact O-CD1 3.24Å; E717-I721 WeakPolarHBondContact O-CD1 3.42Å; E717-I721 WeakPolarHBondContact O-CG1 3.39Å; E717-I721 PolarHBondContact O-N 2.7Å; L719-I721 VanDerWaalsContact C-N 3.27Å; L719-I721 PolarHBondContact O-N 2.84Å; I721-H723 VanDerWaalsContact C-N 3.28Å
722	M	32.2	Very low	40	Very low	82 Å²	82	94.8 Å²	94.8	40%	0.404	46%	0.463	S	S	.	.			trans	-95.4	23.8	170.5	-62.1	-98.4	-74.3	0	0	111.4	F695 A698 F718 L719	F695-M722 HydrophobicContact CD2-CE 4.3Å; F695-M722 HydrophobicContact CE2-CE 4.31Å; A698-M722 HydrophobicContact CB-CE 4.21Å; A698-M722 HydrophobicContact CB-SD 4.41Å; F718-M722 WeakPolarHBondContact O-CG 3.49Å; L719-M722 PolarHBondContact O-N 3.06Å; L719-M722 VanDerWaalsContact O-N 3.14Å
723	H	33.7	Very low	40	Very low	184 Å²	184	93.7 Å²	93.7	85%	0.852	46%	0.464	S	S	*	.			trans	-134.2	0	-178.1	-79.4	-15.9	0	0	0	111.1	I721	I721-H723 VanDerWaalsContact C-N 3.28Å

Retrieved 723 of 723 residues in 105 ms (Link to these results)

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