A0A3Q0KNH8_SCHMA Loading...

DUF4378 domain-containing protein

AlphaFold DB (A0A5K4EPH3), UniProt , Accession A0A3Q0KNH8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 746 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	32	Very low	28.7	Very low	242 Å²	242	157.6 Å²	157.6	100%	1.192	86%	0.855	S	S	*	*				0	119.3	0	-75.9	-180	120.7	0	0	108.3	S3	M1-S3 PolarHBondContact O-N 3.39Å
2	H	26.8	Very low	28.3	Very low	199 Å²	199	156.3 Å²	156.3	92%	0.921	85%	0.845	S	S	*	*			trans	-68.6	108.1	-177	-71.7	-72.4	0	0	0	111.2
3	S	32.2	Very low	28	Very low	118 Å²	118	151.7 Å²	151.7	83%	0.825	83%	0.828	S	S	*	*			trans	-86.6	123.2	162.1	-179.1	0	0	0	0	108.4	M1	M1-S3 PolarHBondContact O-N 3.39Å
4	K	32	Very low	27.8	Very low	193 Å²	193	151.1 Å²	151.1	84%	0.839	82%	0.823	S	S	*	*			trans	-61.7	132.1	-172.4	-77.7	172.3	173.8	175.3	0	111.1	N6	K4-N6 PolarHBondContact O-N 2.93Å
5	K	29.1	Very low	27.5	Very low	198 Å²	198	148.9 Å²	148.9	86%	0.861	82%	0.817	S	S	*	*			trans	-49.5	114.3	167.1	-69.5	173.8	173.1	179.4	0	110.1	S7	K5-S7 PolarHBondContact O-N 2.94Å
6	N	30.2	Very low	27.4	Very low	162 Å²	162	149.8 Å²	149.8	87%	0.866	81%	0.813	S	S	*	*			trans	-70.9	103.2	157.4	-79.9	-16.9	0	0	0	106.9	K4	K4-N6 PolarHBondContact O-N 2.93Å
7	S	28.1	Very low	27.3	Very low	106 Å²	106	150.9 Å²	150.9	74%	0.741	81%	0.811	S	S	*	*			trans	-58.8	126.4	171.5	-54.6	0	0	0	0	109	K5 S9	K5-S7 PolarHBondContact O-N 2.94Å; S7-S9 PolarHBondContact O-N 3.01Å
8	P	25.5	Very low	27	Very low	114 Å²	114	150 Å²	150	74%	0.74	81%	0.805	S	S	*	*			trans	-65.6	130.4	179.1	26.1	-31	0	0	0	109.1	T10	P8-T10 PolarHBondContact O-N 2.76Å
9	S	27.6	Very low	26.8	Very low	110 Å²	110	149.9 Å²	149.9	77%	0.769	81%	0.805	S	S	*	*			trans	-49.1	107.5	171.8	31.5	0	0	0	0	109.7	S7 L11	S7-S9 PolarHBondContact O-N 3.01Å; S9-L11 PolarHBondContact O-N 3.05Å
10	T	28.8	Very low	26.8	Very low	131 Å²	131	148.4 Å²	148.4	80%	0.804	80%	0.796	S	S	*	*			trans	-61.4	96.2	173.4	-20.3	0	0	0	0	107.9	P8 L12	P8-T10 PolarHBondContact O-N 2.76Å; T10-L12 VanDerWaalsContact C-N 3.33Å; T10-L12 PolarHBondContact O-N 3.41Å
11	L	23.5	Very low	26.8	Very low	161 Å²	161	148.6 Å²	148.6	84%	0.843	79%	0.792	S	S	*	*			trans	-59.4	97.2	168.5	-90.6	152.7	0	0	0	107.8	S9	S9-L11 PolarHBondContact O-N 3.05Å
12	L	24.3	Very low	26.6	Very low	141 Å²	141	144.8 Å²	144.8	74%	0.738	78%	0.776	S	S	*	*			trans	-62.3	128	171.3	-96.4	141.2	0	0	0	108.5	T10 L14	T10-L12 VanDerWaalsContact C-N 3.33Å; T10-L12 PolarHBondContact O-N 3.41Å; L12-L14 PolarHBondContact O-N 2.84Å
13	P	24.2	Very low	26.6	Very low	97 Å²	97	137.1 Å²	137.1	63%	0.63	75%	0.75	S	S	*	*			trans	-61.5	128.6	-175.7	-20.7	31	0	0	0	111.8	T15	P13-T15 PolarHBondContact O-N 2.92Å; P13-T15 PolarHBondContact O-OG1 3.19Å
14	L	24.3	Very low	26.4	Very low	143 Å²	143	140 Å²	140	75%	0.749	76%	0.756	S	S	*	*	G	3₁₀ helix	trans	-55.8	5.4	-179	-107.4	114	0	0	0	116.4	L12 Q16 H17	L12-L14 PolarHBondContact O-N 2.84Å; L14-Q16 PolarHBondContact O-N 3.43Å; L14-H17 PolarHBondContact O-N 3.25Å
15	T	23.7	Very low	26.5	Very low	119 Å²	119	136.7 Å²	136.7	73%	0.73	74%	0.74	S	S	*	*	G	3₁₀ helix	trans	-64.5	-15.6	176.5	40.5	0	0	0	0	114.3	P13	P13-T15 PolarHBondContact O-N 2.92Å; P13-T15 PolarHBondContact O-OG1 3.19Å
16	Q	26	Very low	26.8	Very low	163 Å²	163	133.6 Å²	133.6	76%	0.762	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-84.9	-12	178.1	-79	-173.9	-12.2	0	0	115.1	L14	L14-Q16 PolarHBondContact O-N 3.43Å
17	H	25.2	Very low	27	Very low	168 Å²	168	129.5 Å²	129.5	78%	0.778	72%	0.716	S	S	*	*	S	Bend	trans	-95.8	-1	-176.2	-90.5	-71.7	0	0	0	116.1	L14 N19	L14-H17 PolarHBondContact O-N 3.25Å; H17-N19 PolarHBondContact O-N 2.92Å
18	L	22.6	Very low	27.4	Very low	135 Å²	135	131.4 Å²	131.4	71%	0.707	71%	0.714	S	S	*	*			trans	-103.1	51.4	177.2	-70	167.1	0	0	0	112.3	L20	L18-L20 HydrophobicContact CD2-CD1 3.91Å; L18-L20 HydrophobicContact CD2-CG 4.41Å; L18-L20 PolarHBondContact O-N 2.89Å; L18-L20 VanDerWaalsContact O-N 3.1Å
19	N	23.3	Very low	27.7	Very low	148 Å²	148	129.5 Å²	129.5	79%	0.791	70%	0.7	S	S	*	*			trans	-82.7	66.6	164.9	-109.6	-10.6	0	0	0	109.6	H17 H21	H17-N19 PolarHBondContact O-N 2.92Å; N19-H21 PolarHBondContact O-N 3.13Å
20	L	26.4	Very low	27.8	Very low	120 Å²	120	128.8 Å²	128.8	63%	0.628	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	29.8	178.6	-81.5	162.7	0	0	0	113.7	L18	L18-L20 HydrophobicContact CD2-CD1 3.91Å; L18-L20 HydrophobicContact CD2-CG 4.41Å; L18-L20 PolarHBondContact O-N 2.89Å; L18-L20 VanDerWaalsContact O-N 3.1Å
21	H	26.3	Very low	27.9	Very low	153 Å²	153	126.6 Å²	126.6	71%	0.708	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.6	-16.1	-176.3	-111.4	-56.9	0	0	0	115.1	N19	N19-H21 PolarHBondContact O-N 3.13Å
22	N	28.1	Very low	28.2	Very low	162 Å²	162	123.2 Å²	123.2	87%	0.866	65%	0.654	S	S	*	*	S	Bend	trans	-129.5	42.3	-177.5	-74.9	-1.4	0	0	0	112.6
23	G	26.7	Very low	28.3	Very low	37 Å²	37	121.6 Å²	121.6	38%	0.381	65%	0.645	S	S	.	*			trans	-78.4	125.1	170.8	0	0	0	0	0	110.7	Y25	G23-Y25 WeakPolarHBondContact O-CD2 3.29Å; G23-Y25 WeakPolarHBondContact O-CE2 3.25Å; G23-Y25 PolarHBondContact O-N 3.5Å; G23-Y25 VanDerWaalsContact O-N 3.12Å
24	N	29.3	Very low	28.4	Very low	178 Å²	178	122.3 Å²	122.3	95%	0.952	64%	0.638	S	S	*	*			trans	-67.4	102.2	164.1	-119.6	3.1	0	0	0	106.9
25	Y	33.6	Very low	28.6	Very low	125 Å²	125	121.2 Å²	121.2	49%	0.49	63%	0.632	S	S	.	*			trans	-88	145.4	178.4	-62.3	-76.1	0	0	0	110.3	G23	G23-Y25 WeakPolarHBondContact O-CD2 3.29Å; G23-Y25 WeakPolarHBondContact O-CE2 3.25Å; G23-Y25 PolarHBondContact O-N 3.5Å; G23-Y25 VanDerWaalsContact O-N 3.12Å
26	D	34.2	Very low	28.7	Very low	132 Å²	132	126 Å²	126	71%	0.706	64%	0.637	S	S	*	*			trans	-62.9	149.9	178.1	-134.5	-26.9	0	0	0	111.1	E28 V29 E30	D26-E28 PolarHBondContact O-N 3.01Å; D26-V29 PolarHBondContact O-N 2.85Å; D26-E30 PolarHBondContact O-N 3.44Å
27	S	36.3	Very low	28.5	Very low	76 Å²	76	124.2 Å²	124.2	53%	0.531	63%	0.631	S	S	.	*	H	α-helix	trans	-55.7	-30.5	-168.1	61.1	0	0	0	0	114.3	E30 D31	S27-E30 PolarHBondContact O-N 3.33Å; S27-D31 WeakPolarHBondContact O-CB 3.25Å; S27-D31 PolarHBondContact O-N 2.99Å
28	E	35.5	Very low	28.5	Very low	146 Å²	146	123.1 Å²	123.1	68%	0.682	63%	0.63	S	S	*	*	H	α-helix	trans	-68.2	-36.3	177.8	-68.6	-175.4	164.9	0	0	113.3	D26 D31 V32	D26-E28 PolarHBondContact O-N 3.01Å; E28-D31 PolarHBondContact O-N 3.47Å; E28-V32 WeakPolarHBondContact O-CG2 3.46Å; E28-V32 PolarHBondContact O-N 3.3Å
29	V	31.6	Very low	28.6	Very low	74 Å²	74	121.2 Å²	121.2	45%	0.448	63%	0.626	S	S	.	*	H	α-helix	trans	-72.7	-35.4	176.3	-180	0	0	0	0	110	D26 L33	D26-V29 PolarHBondContact O-N 2.85Å; V29-L33 HydrophobicContact CG1-CD1 4.29Å; V29-L33 WeakPolarHBondContact O-CB 3.36Å; V29-L33 WeakPolarHBondContact O-CG 3.44Å; V29-L33 PolarHBondContact O-N 3.08Å
30	E	30.1	Very low	28.7	Very low	96 Å²	96	120.7 Å²	120.7	45%	0.449	63%	0.628	S	S	.	*	H	α-helix	trans	-65.3	-38	171.9	-118.8	-166	-155.5	0	0	112.1	D26 S27 L33 K34	D26-E30 PolarHBondContact O-N 3.44Å; S27-E30 PolarHBondContact O-N 3.33Å; E30-L33 CarbonylContact O-C 3.59Å; E30-L33 PolarHBondContact O-N 3.49Å; E30-K34 WeakPolarHBondContact O-CB 3.03Å; E30-K34 WeakPolarHBondContact O-CG 3.47Å; E30-K34 PolarHBondContact O-N 3.35Å; E30-K34 IonicContact OE2-NZ 4Å; E30-K34 PolarHBondContact OE2-NZ 3.39Å
31	D	31.8	Very low	28.7	Very low	85 Å²	85	122.3 Å²	122.3	46%	0.455	64%	0.636	S	S	.	*	H	α-helix	trans	-72.6	-38.3	178.3	-82.3	-11.2	0	0	0	112.1	S27 E28 L33 K34 I35	S27-D31 WeakPolarHBondContact O-CB 3.25Å; S27-D31 PolarHBondContact O-N 2.99Å; E28-D31 PolarHBondContact O-N 3.47Å; D31-L33 VanDerWaalsContact C-N 3.28Å; D31-L33 PolarHBondContact O-N 3.43Å; D31-K34 PolarHBondContact O-N 3.11Å; D31-I35 WeakPolarHBondContact O-CB 3.42Å; D31-I35 WeakPolarHBondContact O-CD1 3.46Å; D31-I35 WeakPolarHBondContact O-CG1 3.46Å; D31-I35 PolarHBondContact O-N 3.38Å
32	V	29.1	Very low	28.7	Very low	90 Å²	90	124.3 Å²	124.3	55%	0.545	64%	0.642	S	S	.	*	H	α-helix	trans	-62.8	-38.2	171.3	174.5	0	0	0	0	110.8	E28 W36	E28-V32 WeakPolarHBondContact O-CG2 3.46Å; E28-V32 PolarHBondContact O-N 3.3Å; V32-W36 VanDerWaalsContact O-CD1 3.24Å
33	L	26.8	Very low	28.6	Very low	107 Å²	107	124.6 Å²	124.6	56%	0.56	64%	0.639	S	S	*	*	H	α-helix	trans	-70.2	-37.7	173.7	-76.3	166	0	0	0	112.5	V29 E30 D31 W36 I37	V29-L33 HydrophobicContact CG1-CD1 4.29Å; V29-L33 WeakPolarHBondContact O-CB 3.36Å; V29-L33 WeakPolarHBondContact O-CG 3.44Å; V29-L33 PolarHBondContact O-N 3.08Å; E30-L33 CarbonylContact O-C 3.59Å; E30-L33 PolarHBondContact O-N 3.49Å; D31-L33 VanDerWaalsContact C-N 3.28Å; D31-L33 PolarHBondContact O-N 3.43Å; L33-W36 PolarHBondContact O-N 3.43Å; L33-I37 WeakPolarHBondContact O-CG1 3.27Å; L33-I37 PolarHBondContact O-N 3.43Å
34	K	26.4	Very low	28.8	Very low	112 Å²	112	130 Å²	130	49%	0.487	66%	0.659	S	S	.	*	H	α-helix	trans	-70.5	-35.1	176	-80.3	173.3	-170.1	149.1	0	112.8	E30 D31 W36 I37	E30-K34 WeakPolarHBondContact O-CB 3.03Å; E30-K34 WeakPolarHBondContact O-CG 3.47Å; E30-K34 PolarHBondContact O-N 3.35Å; E30-K34 IonicContact OE2-NZ 4Å; E30-K34 PolarHBondContact OE2-NZ 3.39Å; D31-K34 PolarHBondContact O-N 3.11Å; K34-W36 PolarHBondContact O-N 2.91Å; K34-I37 CarbonylContact O-C 3.54Å; K34-I37 PolarHBondContact O-N 3.4Å
35	I	28.2	Very low	28.8	Very low	119 Å²	119	126.5 Å²	126.5	61%	0.61	64%	0.639	S	S	*	*	H	α-helix	trans	-60.6	-26.4	174.7	-71.8	164.3	0	0	0	110.8	D31	D31-I35 WeakPolarHBondContact O-CB 3.42Å; D31-I35 WeakPolarHBondContact O-CD1 3.46Å; D31-I35 WeakPolarHBondContact O-CG1 3.46Å; D31-I35 PolarHBondContact O-N 3.38Å
36	W	25.2	Very low	28.5	Very low	220 Å²	220	126.8 Å²	126.8	83%	0.833	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	-7.7	177.1	-75.6	62.2	0	0	0	114.1	V32 L33 K34 L38	V32-W36 VanDerWaalsContact O-CD1 3.24Å; L33-W36 PolarHBondContact O-N 3.43Å; K34-W36 PolarHBondContact O-N 2.91Å; W36-L38 PolarHBondContact O-N 3.49Å
37	I	22.5	Very low	28.3	Very low	125 Å²	125	128.2 Å²	128.2	64%	0.641	65%	0.647	S	S	*	*	S	Bend	trans	-96.9	73.8	168.2	-56.2	166.2	0	0	0	107.5	L33 K34	L33-I37 WeakPolarHBondContact O-CG1 3.27Å; L33-I37 PolarHBondContact O-N 3.43Å; K34-I37 CarbonylContact O-C 3.54Å; K34-I37 PolarHBondContact O-N 3.4Å
38	L	25.6	Very low	28.1	Very low	146 Å²	146	130 Å²	130	76%	0.764	65%	0.651	S	S	*	*			trans	-59.7	142.4	167.3	-114.5	102.6	0	0	0	109.5	W36 T40	W36-L38 PolarHBondContact O-N 3.49Å; L38-T40 PolarHBondContact O-N 3.31Å
39	P	24.6	Very low	27.8	Very low	94 Å²	94	128.6 Å²	128.6	61%	0.61	65%	0.647	S	S	*	*			trans	-65	128.8	-162.2	26.6	-34.4	0	0	0	110.6	I41	P39-I41 PolarHBondContact O-N 3.09Å
40	T	25.1	Very low	27.7	Very low	138 Å²	138	131.7 Å²	131.7	85%	0.847	66%	0.66	S	S	*	*			trans	-58.4	80.3	168.1	29.2	0	0	0	0	109.8	L38 K42	L38-T40 PolarHBondContact O-N 3.31Å; T40-K42 PolarHBondContact O-N 3.3Å
41	I	26	Very low	27.7	Very low	153 Å²	153	136.3 Å²	136.3	79%	0.785	67%	0.674	S	S	*	*			trans	-68.7	94	165.7	-64.5	174.5	0	0	0	106.1	P39 Q43	P39-I41 PolarHBondContact O-N 3.09Å; I41-Q43 PolarHBondContact O-N 3.04Å
42	K	26.4	Very low	27.6	Very low	195 Å²	195	139 Å²	139	85%	0.848	69%	0.688	S	S	*	*			trans	-8.6	108	162	-66.8	176.4	177.1	177.9	0	114.1	T40	T40-K42 PolarHBondContact O-N 3.3Å
43	Q	26.2	Very low	27.6	Very low	168 Å²	168	143.9 Å²	143.9	79%	0.785	70%	0.702	S	S	*	*			trans	-150.5	100.7	143.9	-112.3	163.7	9	0	0	109.1	I41 I45	I41-Q43 PolarHBondContact O-N 3.04Å; Q43-I45 HydrophobicContact CB-CD1 4.39Å; Q43-I45 HydrophobicContact CB-CG1 4.38Å; Q43-I45 PolarHBondContact O-N 2.89Å
44	N	30.5	Very low	27.7	Very low	152 Å²	152	141.9 Å²	141.9	81%	0.813	70%	0.697	S	S	*	*			trans	-54.4	81.2	167	-80.2	-15.3	0	0	0	110.8
45	I	28.7	Very low	28	Very low	104 Å²	104	143 Å²	143	53%	0.533	71%	0.708	S	S	.	*			trans	-116.7	-15.4	169.7	-53.4	179.6	0	0	0	111	Q43	Q43-I45 HydrophobicContact CB-CD1 4.39Å; Q43-I45 HydrophobicContact CB-CG1 4.38Å; Q43-I45 PolarHBondContact O-N 2.89Å
46	H	27.3	Very low	28.1	Very low	131 Å²	131	147.2 Å²	147.2	61%	0.606	72%	0.722	S	S	*	*	H	α-helix	trans	-87.8	-19	-179.8	-103.9	-64.7	0	0	0	116.2
47	E	30.7	Very low	28.2	Very low	161 Å²	161	145.7 Å²	145.7	75%	0.752	72%	0.724	S	S	*	*	H	α-helix	trans	-78	-30.4	173.8	-79.7	-138.5	150	0	0	113.6	L49 R51	E47-L49 PolarHBondContact O-N 2.83Å; E47-R51 PolarHBondContact O-N 3.13Å
48	D	31.4	Very low	28.3	Very low	114 Å²	114	149.9 Å²	149.9	61%	0.61	73%	0.732	S	S	*	*	H	α-helix	trans	-76.4	-23.5	-179.1	-86.1	-19.6	0	0	0	113.4
49	L	29.8	Very low	28.3	Very low	117 Å²	117	151.5 Å²	151.5	61%	0.613	73%	0.733	S	S	*	*	H	α-helix	trans	-82.7	-28.1	179.8	-98.5	150.8	0	0	0	113.6	E47	E47-L49 PolarHBondContact O-N 2.83Å
50	L	28.6	Very low	28.3	Very low	138 Å²	138	157.3 Å²	157.3	72%	0.723	74%	0.744	S	S	*	*	H	α-helix	trans	-84.2	-20.4	174.9	-73.8	171.2	0	0	0	113.1
51	R	30	Very low	28.2	Very low	194 Å²	194	157 Å²	157	73%	0.732	75%	0.746	S	S	*	*	H	α-helix	trans	-78.8	-19.4	177.3	-160.7	166.9	173.3	-137.3	-1.4	114.1	E47	E47-R51 PolarHBondContact O-N 3.13Å
52	N	31.7	Very low	28.2	Very low	142 Å²	142	157 Å²	157	76%	0.759	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	4.9	-176	-85	-25.9	0	0	0	116.4
53	K	28.3	Very low	28	Very low	191 Å²	191	153.6 Å²	153.6	83%	0.83	74%	0.744	S	S	*	*	S	Bend	trans	-117.4	-0.4	174.5	-85.1	-172.5	176.2	-179.6	0	116.8
54	S	28.8	Very low	28	Very low	65 Å²	65	152.3 Å²	152.3	46%	0.455	74%	0.742	S	S	.	*	S	Bend	trans	-94.2	2.3	178.3	66.7	0	0	0	0	115.7
55	N	31.8	Very low	27.8	Very low	136 Å²	136	151.9 Å²	151.9	73%	0.727	74%	0.74	S	S	*	*	S	Bend	trans	-97.6	1.8	-178.3	-88.1	-10.2	0	0	0	115.9
56	K	31.5	Very low	27.5	Very low	207 Å²	207	157.9 Å²	157.9	90%	0.9	76%	0.757	S	S	*	*	S	Bend	trans	-114	-2.2	-179.4	-90.6	-173.6	175.3	-178.9	0	117.7
57	E	26.9	Very low	27.2	Very low	188 Å²	188	157.1 Å²	157.1	88%	0.879	77%	0.766	S	S	*	*	S	Bend	trans	-129.4	23	172.5	-78	178.8	162.2	0	0	113.7	K59	E57-K59 VanDerWaalsContact C-N 3.3Å; E57-K59 PolarHBondContact O-N 3.28Å
58	R	24.1	Very low	26.8	Very low	213 Å²	213	158.8 Å²	158.8	80%	0.804	78%	0.777	S	S	*	*			trans	-89	66	159.1	-82.7	-174.8	175.8	171.2	-0.4	110.6
59	K	25.7	Very low	26.4	Very low	180 Å²	180	158.9 Å²	158.9	78%	0.783	79%	0.787	S	S	*	*	S	Bend	trans	-145.3	127.5	157.2	-82.9	-170.2	176.4	178.3	0	107	E57	E57-K59 VanDerWaalsContact C-N 3.3Å; E57-K59 PolarHBondContact O-N 3.28Å
60	Y	25	Very low	26	Very low	217 Å²	217	157.8 Å²	157.8	85%	0.851	79%	0.794	S	S	*	*	S	Bend	trans	82.8	73.8	-176.3	-61.6	-82.4	0	0	0	116.1
61	C	23.5	Very low	25.8	Very low	130 Å²	130	158.7 Å²	158.7	88%	0.878	80%	0.8	S	S	*	*			trans	-156.2	94.5	130.5	-96.1	0	0	0	0	105.7	T63	C61-T63 PolarHBondContact O-N 3.25Å
62	D	24.8	Very low	25.4	Very low	153 Å²	153	157.1 Å²	157.1	82%	0.818	80%	0.803	S	S	*	*			trans	-54.1	118.1	175.9	-84.1	-45.3	0	0	0	110.2	N64	D62-N64 PolarHBondContact O-N 3.43Å
63	T	23.5	Very low	25	Very low	125 Å²	125	157.5 Å²	157.5	77%	0.767	81%	0.805	S	S	*	*			trans	-63.3	109.2	157.4	40.1	0	0	0	0	108.7	C61	C61-T63 PolarHBondContact O-N 3.25Å
64	N	26.2	Very low	25	Very low	141 Å²	141	154.2 Å²	154.2	75%	0.754	81%	0.806	S	S	*	*			trans	-157.1	103.4	150.6	-92.4	-30.1	0	0	0	111.2	D62	D62-N64 PolarHBondContact O-N 3.43Å
65	N	24.9	Very low	24.7	Very low	142 Å²	142	156.2 Å²	156.2	76%	0.759	83%	0.826	S	S	*	*			trans	59.7	105.5	138.8	-61	-20.8	0	0	0	120.3
66	Y	22.1	Very low	24.4	Very low	231 Å²	231	153.1 Å²	153.1	91%	0.906	83%	0.827	S	S	*	*				-8.7	127.4	127.7	-81.3	-94.5	0	0	0	115.2
67	S	22.4	Very low	24.2	Very low	114 Å²	114	152.6 Å²	152.6	80%	0.797	83%	0.827	S	S	*	*			trans	-162.8	113.8	143.7	-73.9	0	0	0	0	109.7	S69	S67-S69 PolarHBondContact O-N 3.21Å
68	M	20.9	Very low	24.1	Very low	196 Å²	196	151.6 Å²	151.6	97%	0.966	83%	0.827	S	S	*	*			trans	-52	119.4	162.7	-83.8	166.9	158.6	0	0	109.9
69	S	23.6	Very low	24.2	Very low	117 Å²	117	148.5 Å²	148.5	82%	0.818	82%	0.823	S	S	*	*			trans	-95.7	95.7	159	55.8	0	0	0	0	108.2	S67 N71	S67-S69 PolarHBondContact O-N 3.21Å; S69-N71 PolarHBondContact O-N 3.17Å
70	A	21.6	Very low	24.2	Very low	93 Å²	93	146.8 Å²	146.8	77%	0.769	82%	0.818	S	S	*	*			trans	-61.2	115.9	161.4	0	0	0	0	0	108.5
71	N	24.7	Very low	24.2	Very low	158 Å²	158	142.5 Å²	142.5	85%	0.845	82%	0.82	S	S	*	*			trans	-107.5	88.3	163.1	-158.1	6.8	0	0	0	107.9	S69	S69-N71 PolarHBondContact O-N 3.17Å
72	M	21.9	Very low	24.2	Very low	160 Å²	160	144.1 Å²	144.1	79%	0.788	81%	0.814	S	S	*	*			trans	-65.7	126.3	153.9	-76.3	-150.1	142.2	0	0	107.8
73	N	23.8	Very low	24.1	Very low	151 Å²	151	140.8 Å²	140.8	81%	0.807	80%	0.803	S	S	*	*			trans	164.1	105.1	132.8	-82.1	-22.9	0	0	0	110.1
74	S	26.8	Very low	24.2	Very low	121 Å²	121	142.2 Å²	142.2	85%	0.846	81%	0.806	S	S	*	*				177.6	87.2	125.4	54.9	0	0	0	0	107.5
75	A	23.3	Very low	24.2	Very low	108 Å²	108	143.9 Å²	143.9	89%	0.893	81%	0.809	S	S	*	*			trans	-67.5	144.1	161.9	0	0	0	0	0	109.2
76	G	25.6	Very low	24.4	Very low	71 Å²	71	142.1 Å²	142.1	73%	0.732	80%	0.804	S	S	*	*			trans	107.6	70.5	157.1	0	0	0	0	0	115.3
77	E	26.9	Very low	24.7	Very low	196 Å²	196	140.4 Å²	140.4	92%	0.916	80%	0.804	S	S	*	*			trans	-167.8	78.8	135.3	-107.6	170.7	-167.7	0	0	108.7
78	L	25.9	Very low	25.1	Very low	167 Å²	167	140.7 Å²	140.7	87%	0.874	80%	0.795	S	S	*	*			trans	-104.4	79.5	170.9	-149.9	157.7	0	0	0	105.4
79	M	25.4	Very low	25.9	Very low	147 Å²	147	136.5 Å²	136.5	72%	0.724	78%	0.777	S	S	*	*			trans	-135.2	96.6	173.7	-82.6	-82.5	118.7	0	0	108.7
80	H	25.3	Very low	26.6	Very low	144 Å²	144	137.5 Å²	137.5	67%	0.667	77%	0.773	S	S	*	*			trans	50.3	82.5	146.4	-56.2	-60.1	0	0	0	117.8
81	S	25.3	Very low	27.5	Very low	127 Å²	127	141 Å²	141	89%	0.888	77%	0.774	S	S	*	*			trans	-113.9	88.9	138.5	-58.9	0	0	0	0	107.3	S83	S81-S83 PolarHBondContact O-N 3.42Å
82	E	22.9	Very low	28.1	Very low	164 Å²	164	138.2 Å²	138.2	77%	0.766	76%	0.758	S	S	*	*			trans	-49.9	122.9	167.4	-92.7	170.9	141.4	0	0	110.3	N84	E82-N84 PolarHBondContact O-N 3.49Å
83	S	23.9	Very low	28.8	Very low	84 Å²	84	137 Å²	137	59%	0.587	75%	0.749	S	S	*	*			trans	37.5	80.8	139	65.8	0	0	0	0	117.4	S81	S81-S83 PolarHBondContact O-N 3.42Å
84	N	24.8	Very low	29.2	Very low	154 Å²	154	135.3 Å²	135.3	82%	0.824	74%	0.739	S	S	*	*			trans	-96.3	80.2	131.1	-78.3	-28	0	0	0	107.2	E82 T86	E82-N84 PolarHBondContact O-N 3.49Å; N84-T86 PolarHBondContact O-N 3.16Å; N84-T86 PolarHBondContact O-OG1 3.02Å
85	H	27.1	Very low	29.7	Very low	176 Å²	176	131.3 Å²	131.3	82%	0.815	71%	0.713	S	S	*	*			trans	-68.3	72.3	162.3	-93.3	-52.8	0	0	0	108.3	Q87	H85-Q87 VanDerWaalsContact C-N 3.32Å; H85-Q87 PolarHBondContact O-N 3.3Å
86	T	28	Very low	30.4	Very low	106 Å²	106	129.3 Å²	129.3	65%	0.65	69%	0.693	S	S	*	*			trans	-66.1	98.1	157.4	18.1	0	0	0	0	106.8	N84 I88	N84-T86 PolarHBondContact O-N 3.16Å; N84-T86 PolarHBondContact O-OG1 3.02Å; T86-I88 HydrophobicContact CG2-CD1 4.15Å; T86-I88 PolarHBondContact O-N 3.06Å
87	Q	28.8	Very low	31.1	Very low	195 Å²	195	130 Å²	130	91%	0.911	68%	0.68	S	S	*	*			trans	-63.2	59.4	166.5	-78.4	179.8	-38	0	0	110.9	H85	H85-Q87 VanDerWaalsContact C-N 3.32Å; H85-Q87 PolarHBondContact O-N 3.3Å
88	I	30.2	Very low	31.5	Very low	120 Å²	120	125.8 Å²	125.8	62%	0.615	66%	0.663	S	S	*	*			trans	-124.5	82.9	174	-52.7	173.4	0	0	0	105.6	T86	T86-I88 HydrophobicContact CG2-CD1 4.15Å; T86-I88 PolarHBondContact O-N 3.06Å
89	N	38.8	Very low	32.1	Very low	108 Å²	108	122.2 Å²	122.2	58%	0.578	65%	0.645	S	S	*	*	S	Bend	trans	-172.9	-4.6	150.1	-103.9	-22.1	0	0	0	116.4	K93	N89-K93 WeakPolarHBondContact O-CB 3.35Å; N89-K93 PolarHBondContact O-N 3.18Å; N89-K93 VanDerWaalsContact O-N 3.12Å
90	D	38.6	Very low	32.7	Very low	138 Å²	138	120.9 Å²	120.9	74%	0.738	64%	0.637	S	S	*	*	H	α-helix	trans	-70.6	-34.2	177	-73.2	-28.9	0	0	0	112.3	K93 L94	D90-K93 PolarHBondContact O-N 3.28Å; D90-L94 WeakPolarHBondContact O-CB 3.44Å; D90-L94 PolarHBondContact O-N 3.46Å
91	E	39.1	Very low	33.2	Very low	167 Å²	167	118.7 Å²	118.7	78%	0.78	63%	0.629	S	S	*	*	H	α-helix	trans	-65.8	-43.2	175.8	-71.4	-173	158.4	0	0	112.8	K93 L94 A95	E91-K93 VanDerWaalsContact C-N 3.31Å; E91-K93 PolarHBondContact O-N 3.4Å; E91-L94 PolarHBondContact O-N 2.81Å; E91-A95 WeakPolarHBondContact O-CB 3.25Å; E91-A95 PolarHBondContact O-N 2.84Å
92	N	38.5	Very low	33.7	Very low	98 Å²	98	118.1 Å²	118.1	52%	0.524	61%	0.613	S	S	.	*	H	α-helix	trans	-66.6	-35.9	177	-77.8	-24.1	0	0	0	111.5	S96	N92-S96 VanDerWaalsContact O-CB 3.28Å; N92-S96 WeakPolarHBondContact O-CB 3.27Å; N92-S96 PolarHBondContact O-N 3.17Å
93	K	34.9	Very low	34.4	Very low	135 Å²	135	115.7 Å²	115.7	59%	0.587	60%	0.6	S	S	*	*	H	α-helix	trans	-68.1	-42.2	176.6	-151.9	176.1	-172.5	-179	0	110.8	N89 D90 E91 S96 N97	N89-K93 WeakPolarHBondContact O-CB 3.35Å; N89-K93 PolarHBondContact O-N 3.18Å; N89-K93 VanDerWaalsContact O-N 3.12Å; D90-K93 PolarHBondContact O-N 3.28Å; E91-K93 VanDerWaalsContact C-N 3.31Å; E91-K93 PolarHBondContact O-N 3.4Å; K93-S96 PolarHBondContact O-N 3.34Å; K93-S96 PolarHBondContact O-OG 3.3Å; K93-N97 VanDerWaalsContact O-CB 3.31Å; K93-N97 WeakPolarHBondContact O-CB 3.38Å; K93-N97 VanDerWaalsContact O-CG 3.23Å; K93-N97 PolarHBondContact O-N 3.08Å; K93-N97 PolarHBondContact O-ND2 2.82Å
94	L	33.6	Very low	35	Very low	116 Å²	116	120.4 Å²	120.4	61%	0.607	61%	0.605	S	S	*	*	H	α-helix	trans	-64.9	-47.3	176.1	-171.2	71.1	0	0	0	111.8	D90 E91 S96 N97 L98	D90-L94 WeakPolarHBondContact O-CB 3.44Å; D90-L94 PolarHBondContact O-N 3.46Å; E91-L94 PolarHBondContact O-N 2.81Å; L94-S96 VanDerWaalsContact C-N 3.32Å; L94-S96 PolarHBondContact O-N 2.76Å; L94-N97 PolarHBondContact O-N 3.09Å; L94-N97 VanDerWaalsContact O-N 3.17Å; L94-L98 WeakPolarHBondContact O-CB 3.4Å; L94-L98 PolarHBondContact O-N 3.25Å
95	A	37	Very low	35.5	Very low	37 Å²	37	117.1 Å²	117.1	31%	0.306	59%	0.587	S	S	.	*	H	α-helix	trans	-61.1	-41.6	176.1	0	0	0	0	0	111.5	E91 L98 N99	E91-A95 WeakPolarHBondContact O-CB 3.25Å; E91-A95 PolarHBondContact O-N 2.84Å; A95-L98 PolarHBondContact O-N 3.06Å; A95-N99 VanDerWaalsContact O-CB 3.24Å; A95-N99 WeakPolarHBondContact O-CB 3.45Å; A95-N99 PolarHBondContact O-N 2.82Å
96	S	38.7	Very low	35.9	Very low	66 Å²	66	111.4 Å²	111.4	46%	0.462	57%	0.567	S	S	.	*	H	α-helix	trans	-65.2	-40.1	174.9	89	0	0	0	0	111.8	N92 K93 L94 H100	N92-S96 VanDerWaalsContact O-CB 3.28Å; N92-S96 WeakPolarHBondContact O-CB 3.27Å; N92-S96 PolarHBondContact O-N 3.17Å; K93-S96 PolarHBondContact O-N 3.34Å; K93-S96 PolarHBondContact O-OG 3.3Å; L94-S96 VanDerWaalsContact C-N 3.32Å; L94-S96 PolarHBondContact O-N 2.76Å; S96-H100 VanDerWaalsContact O-CB 3.22Å; S96-H100 WeakPolarHBondContact O-CB 3.41Å; S96-H100 PolarHBondContact O-N 3.39Å
97	N	39	Very low	36.3	Very low	86 Å²	86	114.2 Å²	114.2	46%	0.46	57%	0.566	S	S	.	*	H	α-helix	trans	-65.9	-43.5	176.9	-80.3	-18.1	0	0	0	111.1	K93 L94 H100 I101	K93-N97 VanDerWaalsContact O-CB 3.31Å; K93-N97 WeakPolarHBondContact O-CB 3.38Å; K93-N97 VanDerWaalsContact O-CG 3.23Å; K93-N97 PolarHBondContact O-N 3.08Å; K93-N97 PolarHBondContact O-ND2 2.82Å; L94-N97 PolarHBondContact O-N 3.09Å; L94-N97 VanDerWaalsContact O-N 3.17Å; N97-H100 CarbonylContact O-C 3.59Å; N97-H100 PolarHBondContact O-N 2.8Å; N97-I101 WeakPolarHBondContact O-CB 3.45Å; N97-I101 WeakPolarHBondContact O-CG1 3.19Å; N97-I101 PolarHBondContact O-N 3.32Å
98	L	35.7	Very low	36.5	Very low	107 Å²	107	110.7 Å²	110.7	56%	0.56	55%	0.547	S	S	*	.	H	α-helix	trans	-65.4	-44.8	178.8	-150.9	102.8	0	0	0	110.9	L94 A95 H100 I101 M102	L94-L98 WeakPolarHBondContact O-CB 3.4Å; L94-L98 PolarHBondContact O-N 3.25Å; A95-L98 PolarHBondContact O-N 3.06Å; L98-H100 VanDerWaalsContact C-N 3.3Å; L98-H100 PolarHBondContact O-N 3.36Å; L98-I101 PolarHBondContact O-N 3.23Å; L98-M102 WeakPolarHBondContact O-CB 3.47Å; L98-M102 VanDerWaalsContact O-CG 3.32Å; L98-M102 WeakPolarHBondContact O-CG 3.47Å; L98-M102 PolarHBondContact O-N 3.21Å
99	N	37.9	Very low	36.5	Very low	92 Å²	92	109.7 Å²	109.7	49%	0.492	54%	0.541	S	S	.	.	H	α-helix	trans	-64.4	-36.8	175.6	-159.8	-17.4	0	0	0	111.1	A95 K103	A95-N99 VanDerWaalsContact O-CB 3.24Å; A95-N99 WeakPolarHBondContact O-CB 3.45Å; A95-N99 PolarHBondContact O-N 2.82Å; N99-K103 WeakPolarHBondContact O-CB 3.37Å; N99-K103 WeakPolarHBondContact O-CG 3.43Å; N99-K103 PolarHBondContact O-N 3.33Å
100	H	39.2	Very low	36.1	Very low	119 Å²	119	107 Å²	107	55%	0.551	53%	0.53	S	S	*	.	H	α-helix	trans	-67.1	-41.1	173.5	-158.9	63.9	0	0	0	112	S96 N97 L98 R104	S96-H100 VanDerWaalsContact O-CB 3.22Å; S96-H100 WeakPolarHBondContact O-CB 3.41Å; S96-H100 PolarHBondContact O-N 3.39Å; N97-H100 CarbonylContact O-C 3.59Å; N97-H100 PolarHBondContact O-N 2.8Å; L98-H100 VanDerWaalsContact C-N 3.3Å; L98-H100 PolarHBondContact O-N 3.36Å; H100-R104 VanDerWaalsContact O-CB 3.27Å; H100-R104 WeakPolarHBondContact O-CB 3.26Å; H100-R104 PolarHBondContact O-N 3.46Å
101	I	35.7	Very low	35.5	Very low	97 Å²	97	108 Å²	108	50%	0.497	53%	0.528	S	S	.	.	H	α-helix	trans	-62.2	-48.9	173.9	-70	162.7	0	0	0	110	N97 L98 K103 R104 L105	N97-I101 WeakPolarHBondContact O-CB 3.45Å; N97-I101 WeakPolarHBondContact O-CG1 3.19Å; N97-I101 PolarHBondContact O-N 3.32Å; L98-I101 PolarHBondContact O-N 3.23Å; I101-K103 PolarHBondContact O-N 2.9Å; I101-R104 CarbonylContact O-C 3.55Å; I101-R104 PolarHBondContact O-N 2.7Å; I101-R104 VanDerWaalsContact O-N 3.09Å; I101-L105 WeakPolarHBondContact O-CB 3.41Å; I101-L105 PolarHBondContact O-N 3.18Å
102	M	34.9	Very low	35.2	Very low	116 Å²	116	105.9 Å²	105.9	57%	0.571	52%	0.518	S	S	*	.	H	α-helix	trans	-63.4	-40.4	179.4	-71.1	-61.8	-79.1	0	0	112.2	L98 R104 L105 S106	L98-M102 WeakPolarHBondContact O-CB 3.47Å; L98-M102 VanDerWaalsContact O-CG 3.32Å; L98-M102 WeakPolarHBondContact O-CG 3.47Å; L98-M102 PolarHBondContact O-N 3.21Å; M102-R104 VanDerWaalsContact C-N 3.33Å; M102-L105 PolarHBondContact O-N 3.23Å; M102-S106 WeakPolarHBondContact O-CB 3.48Å; M102-S106 PolarHBondContact O-N 2.91Å; M102-S106 PolarHBondContact O-OG 3.2Å
103	K	39	Very low	34.8	Very low	113 Å²	113	110 Å²	110	49%	0.491	53%	0.528	S	S	.	.	H	α-helix	trans	-64.3	-37.8	171.7	-78.8	-178.4	-178.7	179.6	0	112.2	N99 I101 S106 R107	N99-K103 WeakPolarHBondContact O-CB 3.37Å; N99-K103 WeakPolarHBondContact O-CG 3.43Å; N99-K103 PolarHBondContact O-N 3.33Å; I101-K103 PolarHBondContact O-N 2.9Å; K103-S106 WeakPolarHBondContact CA-OG 3.3Å; K103-S106 PolarHBondContact O-OG 3.34Å; K103-S106 VanDerWaalsContact O-OG 3.04Å; K103-R107 VanDerWaalsContact O-CB 3.28Å; K103-R107 WeakPolarHBondContact O-CB 3.35Å; K103-R107 WeakPolarHBondContact O-CG 3.41Å; K103-R107 PolarHBondContact O-N 2.94Å
104	R	36.2	Very low	34.4	Very low	183 Å²	183	107.1 Å²	107.1	69%	0.691	52%	0.518	S	S	*	.	H	α-helix	trans	-71	-38.7	177.6	-154.6	174	-169.4	172	2.2	111	H100 I101 M102 K108	H100-R104 VanDerWaalsContact O-CB 3.27Å; H100-R104 WeakPolarHBondContact O-CB 3.26Å; H100-R104 PolarHBondContact O-N 3.46Å; I101-R104 CarbonylContact O-C 3.55Å; I101-R104 PolarHBondContact O-N 2.7Å; I101-R104 VanDerWaalsContact O-N 3.09Å; M102-R104 VanDerWaalsContact C-N 3.33Å; R104-K108 VanDerWaalsContact O-CB 3.25Å; R104-K108 WeakPolarHBondContact O-CB 3.46Å; R104-K108 PolarHBondContact O-N 3.47Å
105	L	35	Very low	34.1	Very low	85 Å²	85	107 Å²	107	45%	0.445	52%	0.517	S	S	.	.	H	α-helix	trans	-67.4	-49.5	177.8	-148.3	101.1	0	0	0	110.9	I101 M102 R107 K108 M109	I101-L105 WeakPolarHBondContact O-CB 3.41Å; I101-L105 PolarHBondContact O-N 3.18Å; M102-L105 PolarHBondContact O-N 3.23Å; L105-R107 PolarHBondContact O-N 3.19Å; L105-K108 CarbonylContact O-C 3.59Å; L105-K108 PolarHBondContact O-N 2.84Å; L105-K108 VanDerWaalsContact O-N 3.12Å; L105-M109 HydrophobicContact CD2-CE 3.66Å; L105-M109 HydrophobicContact CD2-SD 4.47Å; L105-M109 HydrophobicContact CG-CE 4.44Å; L105-M109 WeakPolarHBondContact O-CB 3.38Å; L105-M109 WeakPolarHBondContact O-CG 3.47Å; L105-M109 PolarHBondContact O-N 3.37Å
106	S	35.9	Very low	33.7	Very low	55 Å²	55	109.7 Å²	109.7	39%	0.385	53%	0.532	S	S	.	.	H	α-helix	trans	-60.4	-44.7	175.2	52.4	0	0	0	0	112.1	M102 K103 K108 M109 C110	M102-S106 WeakPolarHBondContact O-CB 3.48Å; M102-S106 PolarHBondContact O-N 2.91Å; M102-S106 PolarHBondContact O-OG 3.2Å; K103-S106 WeakPolarHBondContact CA-OG 3.3Å; K103-S106 PolarHBondContact O-OG 3.34Å; K103-S106 VanDerWaalsContact O-OG 3.04Å; S106-K108 VanDerWaalsContact C-N 3.31Å; S106-K108 PolarHBondContact O-N 2.92Å; S106-M109 PolarHBondContact O-N 3.35Å; S106-C110 WeakPolarHBondContact O-CB 3.42Å; S106-C110 PolarHBondContact O-N 3.32Å; S106-C110 PolarHBondContact O-SG 2.93Å
107	R	34.8	Very low	33.3	Very low	166 Å²	166	111.6 Å²	111.6	63%	0.626	54%	0.537	S	S	*	.	H	α-helix	trans	-61.9	-38.4	173	-74.9	173.8	-179	-172.9	-2	112.4	K103 L105 K111	K103-R107 VanDerWaalsContact O-CB 3.28Å; K103-R107 WeakPolarHBondContact O-CB 3.35Å; K103-R107 WeakPolarHBondContact O-CG 3.41Å; K103-R107 PolarHBondContact O-N 2.94Å; L105-R107 PolarHBondContact O-N 3.19Å; R107-K111 WeakPolarHBondContact O-CB 3.45Å; R107-K111 PolarHBondContact O-N 3.47Å
108	K	33.1	Very low	32.9	Very low	120 Å²	120	112.2 Å²	112.2	52%	0.522	54%	0.537	S	S	.	.	H	α-helix	trans	-68.6	-39.7	177.1	-153.4	-178.8	-174.9	-169.2	0	110.9	R104 L105 S106 K111 Q112	R104-K108 VanDerWaalsContact O-CB 3.25Å; R104-K108 WeakPolarHBondContact O-CB 3.46Å; R104-K108 PolarHBondContact O-N 3.47Å; L105-K108 CarbonylContact O-C 3.59Å; L105-K108 PolarHBondContact O-N 2.84Å; L105-K108 VanDerWaalsContact O-N 3.12Å; S106-K108 VanDerWaalsContact C-N 3.31Å; S106-K108 PolarHBondContact O-N 2.92Å; K108-K111 PolarHBondContact O-N 3.12Å; K108-Q112 VanDerWaalsContact O-CB 3.24Å; K108-Q112 WeakPolarHBondContact O-CB 3.4Å; K108-Q112 WeakPolarHBondContact O-CG 3.3Å; K108-Q112 PolarHBondContact O-N 3.05Å
109	M	32.1	Very low	32.3	Very low	99 Å²	99	110.8 Å²	110.8	49%	0.488	52%	0.524	S	S	.	.	H	α-helix	trans	-62.8	-50.5	173.1	-73.9	-177.2	173.6	0	0	111	L105 S106 K111 Q112 Y113	L105-M109 HydrophobicContact CD2-CE 3.66Å; L105-M109 HydrophobicContact CD2-SD 4.47Å; L105-M109 HydrophobicContact CG-CE 4.44Å; L105-M109 WeakPolarHBondContact O-CB 3.38Å; L105-M109 WeakPolarHBondContact O-CG 3.47Å; L105-M109 PolarHBondContact O-N 3.37Å; S106-M109 PolarHBondContact O-N 3.35Å; M109-K111 VanDerWaalsContact C-N 3.29Å; M109-K111 PolarHBondContact O-N 3.03Å; M109-Q112 PolarHBondContact O-N 3.34Å; M109-Y113 HydrophobicContact CB-CD2 4.04Å; M109-Y113 HydrophobicContact CB-CE2 4.38Å; M109-Y113 HydrophobicContact CG-CD2 4.32Å; M109-Y113 HydrophobicContact CG-CE2 4.16Å; M109-Y113 VanDerWaalsContact O-CB 3.31Å; M109-Y113 WeakPolarHBondContact O-CB 3.43Å; M109-Y113 WeakPolarHBondContact O-CD2 3.32Å; M109-Y113 PolarHBondContact O-N 2.82Å
110	C	30.2	Very low	31.8	Very low	51 Å²	51	110.2 Å²	110.2	35%	0.345	52%	0.524	S	S	.	.	H	α-helix	trans	-60.2	-40.2	176.4	-65	0	0	0	0	111.6	S106 L114 Y119	S106-C110 WeakPolarHBondContact O-CB 3.42Å; S106-C110 PolarHBondContact O-N 3.32Å; S106-C110 PolarHBondContact O-SG 2.93Å; C110-L114 HydrophobicContact CB-CD1 4.08Å; C110-L114 WeakPolarHBondContact O-CB 3.34Å; C110-L114 PolarHBondContact O-N 3.36Å; C110-Y119 HydrophobicContact CB-CD2 4.2Å; C110-Y119 HydrophobicContact CB-CE2 4.12Å
111	K	26.2	Very low	31.5	Very low	161 Å²	161	111 Å²	111	70%	0.7	53%	0.528	S	S	*	.	H	α-helix	trans	-77.5	-25.6	-178.8	-158.4	176.8	-173.5	-179.4	0	114.1	R107 K108 M109	R107-K111 WeakPolarHBondContact O-CB 3.45Å; R107-K111 PolarHBondContact O-N 3.47Å; K108-K111 PolarHBondContact O-N 3.12Å; M109-K111 VanDerWaalsContact C-N 3.29Å; M109-K111 PolarHBondContact O-N 3.03Å
112	Q	32.5	Very low	31.1	Very low	121 Å²	121	111.1 Å²	111.1	57%	0.565	53%	0.529	S	S	*	.	H	α-helix	trans	-89.3	-32.2	177.1	-77.7	-175.6	-44.3	0	0	112.8	K108 M109	K108-Q112 VanDerWaalsContact O-CB 3.24Å; K108-Q112 WeakPolarHBondContact O-CB 3.4Å; K108-Q112 WeakPolarHBondContact O-CG 3.3Å; K108-Q112 PolarHBondContact O-N 3.05Å; M109-Q112 PolarHBondContact O-N 3.34Å
113	Y	30.3	Very low	30.6	Very low	186 Å²	186	111 Å²	111	73%	0.729	53%	0.528	S	S	*	.	H	α-helix	trans	-107.6	-16.3	-171.6	-61.9	-69.8	0	0	0	114.6	M109	M109-Y113 HydrophobicContact CB-CD2 4.04Å; M109-Y113 HydrophobicContact CB-CE2 4.38Å; M109-Y113 HydrophobicContact CG-CD2 4.32Å; M109-Y113 HydrophobicContact CG-CE2 4.16Å; M109-Y113 VanDerWaalsContact O-CB 3.31Å; M109-Y113 WeakPolarHBondContact O-CB 3.43Å; M109-Y113 WeakPolarHBondContact O-CD2 3.32Å; M109-Y113 PolarHBondContact O-N 2.82Å
114	L	26.1	Very low	30.3	Very low	73 Å²	73	108.1 Å²	108.1	38%	0.382	52%	0.522	S	S	.	.	S	Bend	trans	-97.4	136.8	165.9	-63.5	156.5	0	0	0	108.2	C110	C110-L114 HydrophobicContact CB-CD1 4.08Å; C110-L114 WeakPolarHBondContact O-CB 3.34Å; C110-L114 PolarHBondContact O-N 3.36Å
115	L	28	Very low	30.2	Very low	114 Å²	114	104.1 Å²	104.1	60%	0.597	51%	0.511	S	S	*	.			trans	-57	141.2	178.1	-77.1	151.1	0	0	0	108.7	D117 E118 Y119	L115-D117 PolarHBondContact O-N 3.36Å; L115-E118 HydrophobicContact CB-CG 4.12Å; L115-E118 PolarHBondContact N-OE2 3.45Å; L115-E118 VanDerWaalsContact N-OE2 3.14Å; L115-E118 WeakPolarHBondContact O-CB 3.47Å; L115-E118 PolarHBondContact O-N 3.24Å; L115-Y119 PolarHBondContact O-N 3.5Å
116	P	27	Very low	29.9	Very low	93 Å²	93	105.5 Å²	105.5	60%	0.604	52%	0.518	S	S	*	.	H	α-helix	trans	-51.8	-32.7	-174.9	-27.9	33.9	0	0	0	114.1	T120	P116-T120 PolarHBondContact O-N 3.08Å; P116-T120 PolarHBondContact O-OG1 3.24Å
117	D	30.5	Very low	29.5	Very low	106 Å²	106	110.2 Å²	110.2	57%	0.567	53%	0.534	S	S	*	.	H	α-helix	trans	-71.4	-39.7	178.6	-59.6	-24.1	0	0	0	111.9	L115 Y119 T120 E121	L115-D117 PolarHBondContact O-N 3.36Å; D117-Y119 VanDerWaalsContact C-N 3.34Å; D117-Y119 PolarHBondContact O-N 3.03Å; D117-T120 PolarHBondContact O-N 2.84Å; D117-T120 PolarHBondContact O-OG1 2.96Å; D117-E121 WeakPolarHBondContact O-CB 3.45Å; D117-E121 PolarHBondContact O-N 2.7Å
118	E	30.1	Very low	29.1	Very low	99 Å²	99	109.5 Å²	109.5	46%	0.463	54%	0.535	S	S	.	.	H	α-helix	trans	-66.3	-37	178.5	-65.2	171.6	157.7	0	0	111.4	L115 L122	L115-E118 HydrophobicContact CB-CG 4.12Å; L115-E118 PolarHBondContact N-OE2 3.45Å; L115-E118 VanDerWaalsContact N-OE2 3.14Å; L115-E118 WeakPolarHBondContact O-CB 3.47Å; L115-E118 PolarHBondContact O-N 3.24Å; E118-L122 WeakPolarHBondContact O-CB 3.36Å; E118-L122 PolarHBondContact O-N 3.39Å
119	Y	23.6	Very low	28.9	Very low	77 Å²	77	108.6 Å²	108.6	30%	0.302	54%	0.544	S	S	.	.	H	α-helix	trans	-68.7	-39.6	176.8	-174.9	-89.8	0	0	0	112.4	C110 L115 D117 E123	C110-Y119 HydrophobicContact CB-CD2 4.2Å; C110-Y119 HydrophobicContact CB-CE2 4.12Å; L115-Y119 PolarHBondContact O-N 3.5Å; D117-Y119 VanDerWaalsContact C-N 3.34Å; D117-Y119 PolarHBondContact O-N 3.03Å; Y119-E123 PolarHBondContact O-N 3.24Å
120	T	26.7	Very low	28.5	Very low	80 Å²	80	110.4 Å²	110.4	49%	0.491	56%	0.555	S	S	.	*	H	α-helix	trans	-72.7	-35.5	177.7	23	0	0	0	0	112.3	P116 D117 L122 E123 S124	P116-T120 PolarHBondContact O-N 3.08Å; P116-T120 PolarHBondContact O-OG1 3.24Å; D117-T120 PolarHBondContact O-N 2.84Å; D117-T120 PolarHBondContact O-OG1 2.96Å; T120-L122 VanDerWaalsContact C-N 3.35Å; T120-E123 PolarHBondContact O-N 3.33Å; T120-S124 PolarHBondContact O-N 3.33Å; T120-S124 VanDerWaalsContact O-N 3.13Å
121	E	33	Very low	28.2	Very low	135 Å²	135	114.2 Å²	114.2	63%	0.631	57%	0.572	S	S	*	*	H	α-helix	trans	-62.8	-44.3	173.5	-133.1	176.1	-172.5	0	0	110.7	D117 S124 E125	D117-E121 WeakPolarHBondContact O-CB 3.45Å; D117-E121 PolarHBondContact O-N 2.7Å; E121-S124 PolarHBondContact O-N 3.42Å; E121-S124 PolarHBondContact O-OG 3.48Å; E121-E125 PolarHBondContact O-N 3.09Å
122	L	27.5	Very low	28	Very low	100 Å²	100	114 Å²	114	52%	0.524	58%	0.577	S	S	.	*	H	α-helix	trans	-64.3	-41.1	177.4	-152.3	88.1	0	0	0	112.3	E118 T120 S124 E125 L126	E118-L122 WeakPolarHBondContact O-CB 3.36Å; E118-L122 PolarHBondContact O-N 3.39Å; T120-L122 VanDerWaalsContact C-N 3.35Å; L122-S124 VanDerWaalsContact C-N 3.29Å; L122-S124 PolarHBondContact O-N 3.45Å; L122-E125 PolarHBondContact O-N 3.23Å; L122-L126 WeakPolarHBondContact O-CB 3.49Å; L122-L126 PolarHBondContact O-N 3.41Å
123	E	25.4	Very low	27.5	Very low	115 Å²	115	112.4 Å²	112.4	54%	0.537	58%	0.584	S	S	.	*	H	α-helix	trans	-60.4	-41.4	176	-166.3	168.1	-148	0	0	110.8	Y119 T120 L126 E127	Y119-E123 PolarHBondContact O-N 3.24Å; T120-E123 PolarHBondContact O-N 3.33Å; E123-L126 PolarHBondContact O-N 2.96Å; E123-E127 PolarHBondContact O-N 2.82Å; E123-E127 VanDerWaalsContact O-N 3.12Å
124	S	32.9	Very low	27.1	Very low	52 Å²	52	111.9 Å²	111.9	36%	0.364	59%	0.589	S	S	.	*	H	α-helix	trans	-72.2	-34.1	177.4	82.9	0	0	0	0	114	T120 E121 L122 K128	T120-S124 PolarHBondContact O-N 3.33Å; T120-S124 VanDerWaalsContact O-N 3.13Å; E121-S124 PolarHBondContact O-N 3.42Å; E121-S124 PolarHBondContact O-OG 3.48Å; L122-S124 VanDerWaalsContact C-N 3.29Å; L122-S124 PolarHBondContact O-N 3.45Å; S124-K128 PolarHBondContact O-N 3.21Å; S124-K128 VanDerWaalsContact O-N 3.09Å
125	E	34.5	Very low	26.9	Very low	99 Å²	99	113.2 Å²	113.2	46%	0.463	60%	0.604	S	S	.	*	H	α-helix	trans	-73.7	-33.7	174.1	-90.9	-166.9	158.8	0	0	111.5	E121 L122 E127 K128 S129 K225	E121-E125 PolarHBondContact O-N 3.09Å; L122-E125 PolarHBondContact O-N 3.23Å; E125-E127 VanDerWaalsContact C-N 3.33Å; E125-K128 PolarHBondContact O-N 3.06Å; E125-S129 VanDerWaalsContact O-CB 3.25Å; E125-S129 WeakPolarHBondContact O-CB 3.25Å; E125-S129 PolarHBondContact O-N 2.93Å; E125-S129 PolarHBondContact O-OG 3.06Å; E125-K225 IonicContact OE1-NZ 2.84Å
126	L	27.5	Very low	26.6	Very low	114 Å²	114	112.9 Å²	112.9	60%	0.597	61%	0.61	S	S	*	*	H	α-helix	trans	-62.9	-42.8	173	-138.6	85.6	0	0	0	110.8	L122 E123 L130	L122-L126 WeakPolarHBondContact O-CB 3.49Å; L122-L126 PolarHBondContact O-N 3.41Å; E123-L126 PolarHBondContact O-N 2.96Å; L126-L130 PolarHBondContact O-N 2.68Å
127	E	27.3	Very low	26.4	Very low	153 Å²	153	113.2 Å²	113.2	72%	0.715	62%	0.615	S	S	*	*	H	α-helix	trans	-71.2	-32.9	-179.9	-153.9	169.4	-150.3	0	0	112.2	E123 E125	E123-E127 PolarHBondContact O-N 2.82Å; E123-E127 VanDerWaalsContact O-N 3.12Å; E125-E127 VanDerWaalsContact C-N 3.33Å
128	K	27	Very low	26	Very low	151 Å²	151	111.4 Å²	111.4	66%	0.657	61%	0.605	S	S	*	*	H	α-helix	trans	-75	-38.2	172.9	-80.6	177.6	179.8	168.3	0	113.9	S124 E125 L130 N131	S124-K128 PolarHBondContact O-N 3.21Å; S124-K128 VanDerWaalsContact O-N 3.09Å; E125-K128 PolarHBondContact O-N 3.06Å; K128-L130 PolarHBondContact O-N 3.44Å; K128-N131 CarbonylContact O-C 3.54Å; K128-N131 PolarHBondContact O-N 2.91Å; K128-N131 VanDerWaalsContact O-N 3.12Å
129	S	27.8	Very low	25.6	Very low	101 Å²	101	113 Å²	113	71%	0.706	62%	0.622	S	S	*	*	H	α-helix	trans	-68	-20.2	-178.2	-56.6	0	0	0	0	112.5	E125 N131	E125-S129 VanDerWaalsContact O-CB 3.25Å; E125-S129 WeakPolarHBondContact O-CB 3.25Å; E125-S129 PolarHBondContact O-N 2.93Å; E125-S129 PolarHBondContact O-OG 3.06Å; S129-N131 VanDerWaalsContact C-N 3.29Å
130	L	24.7	Very low	25.5	Very low	137 Å²	137	114.1 Å²	114.1	72%	0.717	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-9.2	174.7	-81.6	161.5	0	0	0	114	L126 K128	L126-L130 PolarHBondContact O-N 2.68Å; K128-L130 PolarHBondContact O-N 3.44Å
131	N	23.9	Very low	25.2	Very low	131 Å²	131	118.7 Å²	118.7	70%	0.701	66%	0.657	S	S	*	*	S	Bend	trans	-133.9	93.6	176.8	-81.4	-31.8	0	0	0	110.8	K128 S129	K128-N131 CarbonylContact O-C 3.54Å; K128-N131 PolarHBondContact O-N 2.91Å; K128-N131 VanDerWaalsContact O-N 3.12Å; S129-N131 VanDerWaalsContact C-N 3.29Å
132	I	22.5	Very low	24.7	Very low	158 Å²	158	122.6 Å²	122.6	81%	0.81	67%	0.667	S	S	*	*			trans	173.4	107.8	155	-84.9	142	0	0	0	106.8
133	A	21.4	Very low	24.5	Very low	87 Å²	87	122 Å²	122	72%	0.719	68%	0.676	S	S	*	*				66.7	104.6	78.6	0	0	0	0	0	115.9
134	E	22.5	Very low	24.3	Very low	175 Å²	175	126 Å²	126	82%	0.818	69%	0.692	S	S	*	*			trans	31.3	114.7	150.2	-63.3	177.7	158.9	0	0	121.9
135	S	21.7	Very low	23.9	Very low	101 Å²	101	132.5 Å²	132.5	71%	0.706	71%	0.714	S	S	*	*			trans	-167.7	135.7	141.2	76.3	0	0	0	0	115.7	K607	S135-K607 VanDerWaalsContact C-NZ 3.32Å; S135-K607 WeakPolarHBondContact O-CE 3.43Å; S135-K607 PolarHBondContact O-NZ 3.01Å
136	C	21.9	Very low	23.3	Very low	107 Å²	107	136.9 Å²	136.9	72%	0.723	73%	0.732	S	S	*	*			trans	-66.3	166.7	-160.7	-62.5	0	0	0	0	121.6
137	S	22.3	Very low	23.3	Very low	100 Å²	100	136.8 Å²	136.8	70%	0.699	74%	0.741	S	S	*	*			trans	105.2	100.7	156.4	75	0	0	0	0	119.8
138	N	22.1	Very low	23.2	Very low	67 Å²	67	136.8 Å²	136.8	36%	0.358	75%	0.746	S	S	.	*			trans	-111.8	126.8	157.2	-92.9	17.6	0	0	0	107.8	I600 S604	N138-I600 PolarHBondContact ND2-O 3.34Å; N138-S604 WeakPolarHBondContact ND2-CA 3.32Å; N138-S604 WeakPolarHBondContact ND2-CB 3.42Å; N138-S604 PolarHBondContact ND2-N 3.4Å; N138-S604 PolarHBondContact ND2-OG 3.47Å
139	T	20.9	Very low	23.1	Very low	133 Å²	133	137.4 Å²	137.4	82%	0.816	76%	0.756	S	S	*	*			trans	-135.7	115.5	176.3	-13.3	0	0	0	0	108.6
140	V	22.3	Very low	23.1	Very low	100 Å²	100	141.4 Å²	141.4	61%	0.606	76%	0.763	S	S	*	*			trans	-107.7	133.7	175.9	174.5	0	0	0	0	108.1	Y142	V140-Y142 HydrophobicContact CG1-CE2 4.09Å
141	L	21	Very low	23.2	Very low	176 Å²	176	140.4 Å²	140.4	92%	0.921	77%	0.768	S	S	*	*			trans	-82.2	124.3	-173.6	-76.3	154	0	0	0	111.7
142	Y	22.3	Very low	23.3	Very low	217 Å²	217	141.8 Å²	141.8	85%	0.851	77%	0.774	S	S	*	*			trans	-120.8	128.4	169.5	-72.4	-89.4	0	0	0	109.8	V140	V140-Y142 HydrophobicContact CG1-CE2 4.09Å
143	A	21.9	Very low	23.5	Very low	87 Å²	87	141.7 Å²	141.7	72%	0.719	78%	0.776	S	S	*	*			trans	-102	118	169.1	0	0	0	0	0	109.6
144	K	22.4	Very low	23.8	Very low	199 Å²	199	146.2 Å²	146.2	87%	0.865	78%	0.781	S	S	*	*			trans	-98.8	111.9	-179	-176.5	177.6	-177.5	173.9	0	109.6
145	F	23.6	Very low	23.9	Very low	190 Å²	190	147.5 Å²	147.5	83%	0.833	79%	0.785	S	S	*	*			trans	-81.8	130.2	172.5	-64.8	-88.2	0	0	0	109.7
146	K	23.2	Very low	24.1	Very low	190 Å²	190	149 Å²	149	83%	0.826	79%	0.79	S	S	*	*			trans	-82.5	119.6	167.9	-86.6	-175	174.4	-178.4	0	108.1	D148	K146-D148 PolarHBondContact O-N 3.12Å
147	S	26.2	Very low	24.2	Very low	112 Å²	112	149.7 Å²	149.7	78%	0.783	79%	0.79	S	S	*	*			trans	-74.4	112.6	172.7	45.1	0	0	0	0	109.8
148	D	26.3	Very low	24.2	Very low	154 Å²	154	154.7 Å²	154.7	82%	0.824	80%	0.799	S	S	*	*			trans	-78.9	127	171.3	-73.7	-33.3	0	0	0	110.1	K146 Q150	K146-D148 PolarHBondContact O-N 3.12Å; D148-Q150 PolarHBondContact O-N 3Å
149	N	25	Very low	24.3	Very low	163 Å²	163	159.4 Å²	159.4	87%	0.872	82%	0.819	S	S	*	*			trans	-55.8	109.6	-175.5	-65.4	-48.9	0	0	0	112.9
150	Q	26.6	Very low	24.4	Very low	185 Å²	185	158.5 Å²	158.5	86%	0.864	82%	0.818	S	S	*	*			trans	-137.7	120.5	155.3	-74.4	-169.6	-4.1	0	0	111.2	D148 L152	D148-Q150 PolarHBondContact O-N 3Å; Q150-L152 PolarHBondContact O-N 3.38Å
151	S	26.3	Very low	24.5	Very low	116 Å²	116	164.4 Å²	164.4	81%	0.811	83%	0.831	S	S	*	*			trans	-62.8	111.9	-174.4	53.2	0	0	0	0	113.1
152	L	27.8	Very low	24.7	Very low	160 Å²	160	162.8 Å²	162.8	84%	0.838	83%	0.828	S	S	*	*			trans	-94.4	105	171.3	-104.2	141.5	0	0	0	109.8	Q150 H154	Q150-L152 PolarHBondContact O-N 3.38Å; L152-H154 PolarHBondContact O-N 3.36Å
153	N	27	Very low	24.8	Very low	156 Å²	156	161.3 Å²	161.3	83%	0.834	83%	0.827	S	S	*	*			trans	-58.8	116.2	174.6	-85.3	-39.9	0	0	0	111.4	K155	N153-K155 PolarHBondContact O-N 2.91Å
154	H	27.1	Very low	24.9	Very low	182 Å²	182	164.6 Å²	164.6	84%	0.843	83%	0.832	S	S	*	*			trans	-63.8	112.5	175.6	-68.2	-85.4	0	0	0	111.6	L152	L152-H154 PolarHBondContact O-N 3.36Å
155	K	25.2	Very low	25	Very low	203 Å²	203	162.5 Å²	162.5	88%	0.883	83%	0.83	S	S	*	*			trans	-96	108.3	158.6	-90.4	-175.8	176	178.6	0	109.1	N153 V157	N153-K155 PolarHBondContact O-N 2.91Å; K155-V157 PolarHBondContact O-N 3.27Å
156	T	24.7	Very low	25	Very low	133 Å²	133	164 Å²	164	82%	0.816	83%	0.832	S	S	*	*			trans	-70.8	110.9	-178.1	-11.6	0	0	0	0	110.6
157	V	23.8	Very low	24.9	Very low	121 Å²	121	164.3 Å²	164.3	73%	0.733	84%	0.836	S	S	*	*			trans	-89.2	114.1	170.1	178.8	0	0	0	0	107.7	K155 H159	K155-V157 PolarHBondContact O-N 3.27Å; V157-H159 PolarHBondContact O-N 3.29Å
158	K	23.2	Very low	25	Very low	205 Å²	205	166 Å²	166	89%	0.891	84%	0.836	S	S	*	*			trans	-72.3	111.1	-179.3	-75.5	179.9	174.8	179.5	0	110.3
159	H	24.2	Very low	25	Very low	166 Å²	166	163.1 Å²	163.1	77%	0.769	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-83.2	126.5	167.2	-85.2	-70.3	0	0	0	110.7	V157	V157-H159 PolarHBondContact O-N 3.29Å
160	S	22.9	Very low	25.1	Very low	114 Å²	114	162 Å²	162	80%	0.797	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-78.7	124.4	173.3	46.4	0	0	0	0	110.8
161	Y	23.2	Very low	25.1	Very low	224 Å²	224	160.2 Å²	160.2	88%	0.878	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-63.8	126.7	-176.1	-73.2	-100.2	0	0	0	114.1
162	T	25.4	Very low	25	Very low	141 Å²	141	162.6 Å²	162.6	87%	0.865	82%	0.82	S	S	*	*			trans	-120.6	113.5	148.1	30	0	0	0	0	108.2	N164	T162-N164 PolarHBondContact O-N 3.44Å
163	K	25	Very low	24.8	Very low	187 Å²	187	162 Å²	162	81%	0.813	81%	0.813	S	S	*	*			trans	-51.2	116.2	178.7	-80.1	170.7	169.7	174.6	0	111
164	N	24.7	Very low	24.7	Very low	156 Å²	156	164.4 Å²	164.4	83%	0.834	82%	0.815	S	S	*	*			trans	-150.9	109	140.3	-86.5	-28.1	0	0	0	106	T162 Y166	T162-N164 PolarHBondContact O-N 3.44Å; N164-Y166 PolarHBondContact O-N 2.96Å
165	N	23.1	Very low	24.5	Very low	154 Å²	154	164.2 Å²	164.2	82%	0.824	81%	0.808	S	S	*	*			trans	-67	100.4	-176.7	-66	-24.2	0	0	0	109.6
166	Y	23.7	Very low	24.3	Very low	222 Å²	222	163 Å²	163	87%	0.871	81%	0.806	S	S	*	*			trans	-124.6	109.4	149.5	-88.7	-87.1	0	0	0	106.1	N164 D168	N164-Y166 PolarHBondContact O-N 2.96Å; Y166-D168 PolarHBondContact O-N 2.96Å
167	E	22.8	Very low	24.2	Very low	197 Å²	197	166.8 Å²	166.8	92%	0.921	81%	0.807	S	S	*	*			trans	-63.3	107.8	165.2	-74.6	175.9	149	0	0	107.2
168	D	27.7	Very low	24.1	Very low	146 Å²	146	169.2 Å²	169.2	78%	0.781	81%	0.808	S	S	*	*			trans	-107.5	103.4	167.8	-153.8	-0.5	0	0	0	107.8	Y166	Y166-D168 PolarHBondContact O-N 2.96Å
169	P	26.7	Very low	24.1	Very low	95 Å²	95	167 Å²	167	62%	0.617	81%	0.806	S	S	*	*			trans	-83.1	131.2	-176.5	31.4	-30.3	0	0	0	111.2
170	N	26.2	Very low	24.1	Very low	140 Å²	140	168.7 Å²	168.7	75%	0.749	81%	0.811	S	S	*	*	S	Bend	trans	81.9	101.1	154.8	-54.5	-24.9	0	0	0	117.3
171	D	26.3	Very low	24	Very low	147 Å²	147	166.2 Å²	166.2	79%	0.786	80%	0.804	S	S	*	*			trans	53.4	69.8	134.4	-59.6	-25.8	0	0	0	116.1	E173	D171-E173 PolarHBondContact O-N 2.84Å
172	L	24.8	Very low	23.9	Very low	166 Å²	166	167.6 Å²	167.6	87%	0.869	81%	0.809	S	S	*	*			trans	-60.1	89.2	151.3	-90.9	128.3	0	0	0	108.9	K174	L172-K174 PolarHBondContact O-N 3.1Å
173	E	23.7	Very low	23.7	Very low	148 Å²	148	163 Å²	163	69%	0.692	79%	0.79	S	S	*	*			trans	-50.2	110.4	162.2	-74.9	-176.7	152.7	0	0	108.5	D171 Y175	D171-E173 PolarHBondContact O-N 2.84Å; E173-Y175 VanDerWaalsContact O-CD2 3.26Å; E173-Y175 WeakPolarHBondContact O-CD2 3.4Å; E173-Y175 PolarHBondContact O-N 3.04Å
174	K	24.3	Very low	23.6	Very low	205 Å²	205	163 Å²	163	89%	0.891	80%	0.797	S	S	*	*			trans	-65.7	99.8	174.3	-96.7	-179.5	172	176.6	0	109.2	L172 Q176	L172-K174 PolarHBondContact O-N 3.1Å; K174-Q176 PolarHBondContact O-N 3.48Å
175	Y	22.8	Very low	23.6	Very low	178 Å²	178	159.9 Å²	159.9	70%	0.698	79%	0.787	S	S	*	*			trans	-62.2	104.2	164.1	-65.4	-88.4	0	0	0	109.1	E173 Y177	E173-Y175 VanDerWaalsContact O-CD2 3.26Å; E173-Y175 WeakPolarHBondContact O-CD2 3.4Å; E173-Y175 PolarHBondContact O-N 3.04Å; Y175-Y177 WeakPolarHBondContact O-CD2 3.48Å; Y175-Y177 PolarHBondContact O-N 3.35Å
176	Q	21.4	Very low	23.5	Very low	179 Å²	179	160.4 Å²	160.4	84%	0.836	79%	0.785	S	S	*	*			trans	-86.9	91.9	170.3	-145	176.1	24.6	0	0	107.7	K174 K178	K174-Q176 PolarHBondContact O-N 3.48Å; Q176-K178 PolarHBondContact O-N 3.2Å; Q176-K178 VanDerWaalsContact O-N 3.17Å
177	Y	23.3	Very low	23.6	Very low	211 Å²	211	155.9 Å²	155.9	83%	0.827	77%	0.774	S	S	*	*			trans	-56.1	115.7	171.8	-65.5	-93.1	0	0	0	108.6	Y175	Y175-Y177 WeakPolarHBondContact O-CD2 3.48Å; Y175-Y177 PolarHBondContact O-N 3.35Å
178	K	21.1	Very low	24	Very low	173 Å²	173	154 Å²	154	75%	0.752	77%	0.771	S	S	*	*			trans	-107.6	124.4	166.8	-102.7	-174.3	176.5	-179.3	0	109	Q176 F180	Q176-K178 PolarHBondContact O-N 3.2Å; Q176-K178 VanDerWaalsContact O-N 3.17Å; K178-F180 PolarHBondContact O-N 3.05Å
179	D	23.8	Very low	24.1	Very low	159 Å²	159	150 Å²	150	85%	0.85	76%	0.763	S	S	*	*			trans	-43	119.7	-177.6	-55.9	-46.7	0	0	0	113
180	F	22.3	Very low	23.9	Very low	201 Å²	201	153.8 Å²	153.8	88%	0.882	77%	0.773	S	S	*	*			trans	-101.1	72.7	158.6	-73.6	-80	0	0	0	108.4	K178	K178-F180 PolarHBondContact O-N 3.05Å
181	G	21.3	Very low	23.9	Very low	62 Å²	62	153.8 Å²	153.8	64%	0.639	77%	0.773	S	S	*	*			trans	-67.5	128.4	159.5	0	0	0	0	0	108.7	G183	G181-G183 PolarHBondContact O-N 3.35Å
182	Y	22.2	Very low	23.8	Very low	252 Å²	252	153.8 Å²	153.8	99%	0.988	77%	0.772	S	S	*	*	S	Bend	trans	-54.2	93.3	176.7	-80.8	-95.1	0	0	0	111.2
183	G	21.1	Very low	23.7	Very low	46 Å²	46	153.7 Å²	153.7	47%	0.474	77%	0.767	S	S	.	*			trans	-153.5	114.5	174.1	0	0	0	0	0	108.5	G181 S185	G181-G183 PolarHBondContact O-N 3.35Å; G183-S185 VanDerWaalsContact C-N 3.33Å; G183-S185 PolarHBondContact O-N 3.37Å; G183-S185 PolarHBondContact O-OG 3.21Å
184	I	22.2	Very low	23.7	Very low	187 Å²	187	156.3 Å²	156.3	96%	0.959	77%	0.772	S	S	*	*			trans	-55.5	98.7	174.8	-57.2	166.4	0	0	0	107.1
185	S	23.8	Very low	23.6	Very low	89 Å²	89	154.2 Å²	154.2	62%	0.622	77%	0.769	S	S	*	*			trans	-108.3	108.4	-177.4	15	0	0	0	0	107.9	G183 I187	G183-S185 VanDerWaalsContact C-N 3.33Å; G183-S185 PolarHBondContact O-N 3.37Å; G183-S185 PolarHBondContact O-OG 3.21Å; S185-I187 PolarHBondContact O-N 3.43Å
186	E	22.6	Very low	23.6	Very low	165 Å²	165	152.6 Å²	152.6	77%	0.771	77%	0.772	S	S	*	*			trans	-57.9	119.3	155.1	-89.7	176.1	146.8	0	0	107.2
187	I	25.8	Very low	23.7	Very low	128 Å²	128	151 Å²	151	66%	0.656	77%	0.769	S	S	*	*			trans	-106.3	111.8	167.6	-60.1	179.3	0	0	0	106.9	S185 G189	S185-I187 PolarHBondContact O-N 3.43Å; I187-G189 VanDerWaalsContact C-N 3.32Å; I187-G189 PolarHBondContact O-N 3.26Å
188	N	31	Very low	23.7	Very low	158 Å²	158	144.4 Å²	144.4	85%	0.845	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	56.2	31.1	173	-63.7	-11.8	0	0	0	117	E190	N188-E190 VanDerWaalsContact C-N 3.27Å; N188-E190 PolarHBondContact O-N 3.11Å
189	G	29.2	Very low	23.7	Very low	60 Å²	60	147 Å²	147	62%	0.619	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	75	5.7	166	0	0	0	0	0	116.2	I187	I187-G189 VanDerWaalsContact C-N 3.32Å; I187-G189 PolarHBondContact O-N 3.26Å
190	E	22.1	Very low	23.6	Very low	175 Å²	175	148.8 Å²	148.8	82%	0.818	77%	0.773	S	S	*	*			trans	-110.1	124	174.3	-67	-169.4	162.2	0	0	110.7	N188	N188-E190 VanDerWaalsContact C-N 3.27Å; N188-E190 PolarHBondContact O-N 3.11Å
191	N	27.3	Very low	23.7	Very low	141 Å²	141	143.6 Å²	143.6	75%	0.754	77%	0.767	S	S	*	*			trans	-76.7	138.4	-174.2	-74.9	-60.6	0	0	0	112	E193	N191-E193 PolarHBondContact O-N 3.34Å; N191-E193 VanDerWaalsContact O-N 3.1Å
192	L	24	Very low	23.8	Very low	147 Å²	147	150.1 Å²	150.1	77%	0.77	78%	0.777	S	S	*	*			trans	-63.1	103.8	174.1	-72.6	159	0	0	0	111.1	Y194	L192-Y194 HydrophobicContact CB-CE2 4.47Å
193	E	22.6	Very low	23.9	Very low	163 Å²	163	142.5 Å²	142.5	76%	0.762	76%	0.761	S	S	*	*			trans	-78.6	114.8	169.3	-79.3	-170.1	158.1	0	0	110.3	N191 I195	N191-E193 PolarHBondContact O-N 3.34Å; N191-E193 VanDerWaalsContact O-N 3.1Å; E193-I195 PolarHBondContact O-N 2.8Å
194	Y	23.9	Very low	24.3	Very low	203 Å²	203	146 Å²	146	80%	0.796	78%	0.775	S	S	*	*			trans	-79.5	116.6	175.3	-69	-92.4	0	0	0	110.6	L192 L196	L192-Y194 HydrophobicContact CB-CE2 4.47Å; Y194-L196 PolarHBondContact O-N 3.49Å
195	I	21.2	Very low	24.4	Very low	161 Å²	161	141.4 Å²	141.4	83%	0.826	77%	0.765	S	S	*	*			trans	-84.2	97	176	-56.4	173.7	0	0	0	108.7	E193	E193-I195 PolarHBondContact O-N 2.8Å
196	L	22.8	Very low	24.6	Very low	145 Å²	145	147.2 Å²	147.2	76%	0.759	78%	0.78	S	S	*	*			trans	-105	110.1	167	-131.1	141.8	0	0	0	107.4	Y194	Y194-L196 PolarHBondContact O-N 3.49Å
197	N	23.8	Very low	24.6	Very low	145 Å²	145	148.3 Å²	148.3	78%	0.775	78%	0.782	S	S	*	*	S	Bend	trans	49.5	71	171.5	-66.6	-18.7	0	0	0	116.1	R199	N197-R199 VanDerWaalsContact C-N 3.3Å; N197-R199 PolarHBondContact O-N 2.8Å
198	G	23.5	Very low	24.8	Very low	72 Å²	72	149.8 Å²	149.8	74%	0.742	79%	0.789	S	S	*	*	S	Bend	trans	51.1	32.9	143.5	0	0	0	0	0	118.5
199	R	22.2	Very low	24.6	Very low	228 Å²	228	153 Å²	153	86%	0.86	79%	0.791	S	S	*	*			trans	-145.1	116.5	163.5	-69.6	-167.5	-171.5	-176.3	3.7	110.6	N197 A201	N197-R199 VanDerWaalsContact C-N 3.3Å; N197-R199 PolarHBondContact O-N 2.8Å; R199-A201 PolarHBondContact O-N 2.79Å; R199-A201 VanDerWaalsContact O-N 3.15Å
200	H	21.8	Very low	24.5	Very low	197 Å²	197	151.9 Å²	151.9	91%	0.912	78%	0.779	S	S	*	*			trans	-56.9	110.5	174	-70.2	-84.4	0	0	0	110.8
201	A	22.7	Very low	25.1	Very low	91 Å²	91	152.3 Å²	152.3	75%	0.752	78%	0.778	S	S	*	*			trans	-123.3	91.1	167.6	0	0	0	0	0	109	R199 S203	R199-A201 PolarHBondContact O-N 2.79Å; R199-A201 VanDerWaalsContact O-N 3.15Å; A201-S203 PolarHBondContact O-N 3.48Å
202	K	24	Very low	25.2	Very low	199 Å²	199	149.9 Å²	149.9	87%	0.865	76%	0.764	S	S	*	*			trans	-58.1	116	165.6	-69.8	179.6	176.4	-178.3	0	108
203	S	25.3	Very low	25.7	Very low	93 Å²	93	147.5 Å²	147.5	65%	0.65	76%	0.756	S	S	*	*			trans	-134.3	108.4	172.7	170.7	0	0	0	0	109.7	A201	A201-S203 PolarHBondContact O-N 3.48Å
204	P	27.7	Very low	26	Very low	118 Å²	118	147.5 Å²	147.5	77%	0.766	75%	0.749	S	S	*	*			trans	-77.9	151.1	175.6	31.4	-30.8	0	0	0	111.8
205	A	25.1	Very low	26.5	Very low	91 Å²	91	144.8 Å²	144.8	75%	0.752	74%	0.741	S	S	*	*	S	Bend	trans	70.5	109.1	160.8	0	0	0	0	0	120.3
206	K	27.1	Very low	26.9	Very low	212 Å²	212	142.1 Å²	142.1	92%	0.922	73%	0.725	S	S	*	*			trans	26.5	97.3	144.1	-66.6	177.6	179.2	173.9	0	118.4
207	K	24.4	Very low	27.5	Very low	187 Å²	187	143.7 Å²	143.7	81%	0.813	73%	0.726	S	S	*	*			trans	-102.6	119.6	163.5	-70.2	177.2	-179.8	172.7	0	109.9
208	I	28.1	Very low	27.9	Very low	159 Å²	159	140.7 Å²	140.7	82%	0.815	71%	0.71	S	S	*	*			trans	-121.5	141.2	168.4	-60.9	179	0	0	0	109
209	Y	27.9	Very low	28.4	Very low	227 Å²	227	141.2 Å²	141.2	89%	0.89	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-56.6	134	-156.4	-57.7	-91.7	0	0	0	117.4
210	G	27.5	Very low	29.2	Very low	35 Å²	35	135.1 Å²	135.1	36%	0.361	68%	0.68	S	S	.	*	P	Polyproline II helix	trans	-92.9	147.6	175	0	0	0	0	0	113.6
211	K	33.9	Very low	30.2	Very low	184 Å²	184	131.5 Å²	131.5	80%	0.8	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-72.7	137.6	-179.3	-161.8	174.4	-177.7	179	0	111.2	V213	K211-V213 WeakPolarHBondContact O-CG2 3.47Å; K211-V213 PolarHBondContact O-N 3.32Å
212	I	29.1	Very low	30.6	Very low	90 Å²	90	129.8 Å²	129.8	46%	0.462	65%	0.647	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-63.9	121.9	178.1	-63.7	169.4	0	0	0	109.4	K215 V232	I212-K215 HydrophobicContact CG2-CG 4.13Å; I212-V232 HydrophobicContact CB-CG1 4.11Å; I212-V232 HydrophobicContact CD1-CG1 3.98Å; I212-V232 HydrophobicContact CG1-CG1 3.73Å; I212-V232 HydrophobicContact CG2-CG1 3.38Å
213	V	34.5	Very low	31.3	Very low	98 Å²	98	128.3 Å²	128.3	59%	0.594	65%	0.648	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-99.5	-31.6	-177.6	-177.3	0	0	0	0	111.8	K211 V233 R235	K211-V213 WeakPolarHBondContact O-CG2 3.47Å; K211-V213 PolarHBondContact O-N 3.32Å; V213-V233 PolarHBondContact N-O 2.9Å; V213-R235 HydrophobicContact CG2-CB 3.65Å
214	R	29.6	Very low	32.1	Very low	163 Å²	163	127 Å²	127	62%	0.615	65%	0.649	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-155	138.9	176.2	-162.4	172.8	179.4	169.3	-0.4	112.1	V233	R214-V233 PolarHBondContact N-O 2.94Å; R214-V233 PolarHBondContact O-N 2.94Å
215	K	33.7	Very low	32.2	Very low	146 Å²	146	128.1 Å²	128.1	64%	0.635	64%	0.642	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-107.8	130	168.6	-64.7	-174.9	177.9	179.8	0	108.4	I212 T230 V232	I212-K215 HydrophobicContact CG2-CG 4.13Å; K215-T230 HydrophobicContact CB-CG2 4.43Å; K215-V232 HydrophobicContact CG-CG1 4.37Å; K215-V232 HydrophobicContact CG-CG2 4.24Å
216	Q	30.2	Very low	32.5	Very low	105 Å²	105	131.2 Å²	131.2	49%	0.491	64%	0.639	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-128.7	123.2	176.1	-146.9	166.6	13.2	0	0	109.1	Q231	Q216-Q231 PolarHBondContact N-O 3.4Å; Q216-Q231 PolarHBondContact O-N 3.17Å
217	K	35.8	Very low	32.7	Very low	177 Å²	177	125.1 Å²	125.1	77%	0.77	62%	0.615	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-81.5	121.9	174.2	-76.7	-176.2	176.2	-177.5	0	108.3	T230	K217-T230 HydrophobicContact CG-CG2 4.5Å
218	L	31.2	Very low	32.9	Very low	83 Å²	83	119.9 Å²	119.9	44%	0.435	61%	0.607	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.8	121.8	176.6	-82.2	152.4	0	0	0	108.7	S229	L218-S229 PolarHBondContact N-O 3.41Å; L218-S229 PolarHBondContact O-N 2.92Å; L218-S229 PolarHBondContact O-OG 3.39Å
219	T	35.8	Very low	33.1	Very low	82 Å²	82	114.2 Å²	114.2	50%	0.503	58%	0.582	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.9	123.7	170.4	12.1	0	0	0	0	108.5	K226 I227 A228	T219-K226 HydrophobicContact CG2-CD 4.42Å; T219-K226 HydrophobicContact CG2-CG 3.99Å; T219-I227 WeakPolarHBondContact CA-O 3.48Å; T219-A228 HydrophobicContact CG2-CB 3.81Å
220	H	37.1	Very low	33.3	Very low	101 Å²	101	107.2 Å²	107.2	47%	0.468	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-129.8	155.5	172.3	67.2	-82.4	0	0	0	110.6	I227	H220-I227 PolarHBondContact N-O 3.42Å; H220-I227 PolarHBondContact O-N 3.47Å
221	M	44	Very low	33.4	Very low	121 Å²	121	111.5 Å²	111.5	60%	0.596	57%	0.573	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-89.2	123.8	-178.1	-66	-67.5	-69.2	0	0	109	G224 K225 K226	M221-G224 WeakPolarHBondContact CE-O 3.4Å; M221-K225 WeakPolarHBondContact CA-O 3.2Å; M221-K226 VanDerWaalsContact SD-CA 3.57Å; M221-K226 HydrophobicContact SD-CB 3.59Å; M221-K226 VanDerWaalsContact SD-CB 3.59Å; M221-K226 HydrophobicContact SD-CG 3.81Å
222	S	31.1	Very low	33.2	Very low	54 Å²	54	106 Å²	106	38%	0.378	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130	126.6	169.8	-179.9	0	0	0	0	108.6	G224 K225	S222-G224 VanDerWaalsContact C-N 3.26Å; S222-G224 PolarHBondContact O-N 2.89Å; S222-K225 PolarHBondContact N-O 3.46Å; S222-K225 PolarHBondContact O-N 3.42Å; S222-K225 VanDerWaalsContact O-N 3.09Å; S222-K225 VanDerWaalsContact O-O 3.14Å
223	N	39.2	Very low	33.2	Very low	169 Å²	169	106 Å²	106	90%	0.904	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	46.9	44.9	-174	-66.5	-7.5	0	0	0	114	K225	N223-K225 PolarHBondContact O-N 3.24Å; N223-K225 VanDerWaalsContact O-N 3.17Å
224	G	42.4	Very low	32.9	Very low	65 Å²	65	103.6 Å²	103.6	67%	0.67	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.5	-3.6	176.4	0	0	0	0	0	115.5	M221 S222	M221-G224 WeakPolarHBondContact CE-O 3.4Å; S222-G224 VanDerWaalsContact C-N 3.26Å; S222-G224 PolarHBondContact O-N 2.89Å
225	K	29.5	Very low	32.8	Very low	142 Å²	142	105.8 Å²	105.8	62%	0.617	55%	0.554	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-105.8	141	173.6	-70.9	-172.7	177.2	-174.1	0	110.8	E125 M221 S222 N223 I227	E125-K225 IonicContact OE1-NZ 2.84Å; M221-K225 WeakPolarHBondContact CA-O 3.2Å; S222-K225 PolarHBondContact N-O 3.46Å; S222-K225 PolarHBondContact O-N 3.42Å; S222-K225 VanDerWaalsContact O-N 3.09Å; S222-K225 VanDerWaalsContact O-O 3.14Å; N223-K225 PolarHBondContact O-N 3.24Å; N223-K225 VanDerWaalsContact O-N 3.17Å; K225-I227 PolarHBondContact O-N 2.96Å
226	K	31.3	Very low	32.4	Very low	155 Å²	155	104.9 Å²	104.9	67%	0.674	55%	0.552	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-83.6	106.4	-178.2	-159.9	176.1	-173.8	178.5	0	108.8	T219 M221	T219-K226 HydrophobicContact CG2-CD 4.42Å; T219-K226 HydrophobicContact CG2-CG 3.99Å; M221-K226 VanDerWaalsContact SD-CA 3.57Å; M221-K226 HydrophobicContact SD-CB 3.59Å; M221-K226 VanDerWaalsContact SD-CB 3.59Å; M221-K226 HydrophobicContact SD-CG 3.81Å
227	I	30.4	Very low	32.2	Very low	84 Å²	84	110.1 Å²	110.1	43%	0.431	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.1	126.4	-178.1	-54	-177.8	0	0	0	108.9	T219 H220 K225	T219-I227 WeakPolarHBondContact CA-O 3.48Å; H220-I227 PolarHBondContact N-O 3.42Å; H220-I227 PolarHBondContact O-N 3.47Å; K225-I227 PolarHBondContact O-N 2.96Å
228	A	28.4	Very low	31.8	Very low	78 Å²	78	111.4 Å²	111.4	65%	0.645	58%	0.575	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-87.8	123.2	175.2	0	0	0	0	0	110.1	T219	T219-A228 HydrophobicContact CG2-CB 3.81Å
229	S	33.2	Very low	31.5	Very low	40 Å²	40	113.3 Å²	113.3	28%	0.28	59%	0.593	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.4	141.8	176.5	62.9	0	0	0	0	109.9	L218	L218-S229 PolarHBondContact N-O 3.41Å; L218-S229 PolarHBondContact O-N 2.92Å; L218-S229 PolarHBondContact O-OG 3.39Å
230	T	31.1	Very low	31.1	Very low	79 Å²	79	118 Å²	118	49%	0.485	61%	0.61	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.9	112.2	178.1	-56.4	0	0	0	0	108.6	K215 K217	K215-T230 HydrophobicContact CB-CG2 4.43Å; K217-T230 HydrophobicContact CG-CG2 4.5Å
231	Q	30.9	Very low	30.7	Very low	126 Å²	126	121.3 Å²	121.3	59%	0.589	63%	0.631	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-90.8	140.7	171.1	-92	-171.8	-2.1	0	0	110.8	Q216	Q216-Q231 PolarHBondContact N-O 3.4Å; Q216-Q231 PolarHBondContact O-N 3.17Å
232	V	29.5	Very low	29.8	Very low	67 Å²	67	119.3 Å²	119.3	41%	0.406	63%	0.633	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.7	116.3	-177.3	-172.9	0	0	0	0	108	I212 K215	I212-V232 HydrophobicContact CB-CG1 4.11Å; I212-V232 HydrophobicContact CD1-CG1 3.98Å; I212-V232 HydrophobicContact CG1-CG1 3.73Å; I212-V232 HydrophobicContact CG2-CG1 3.38Å; K215-V232 HydrophobicContact CG-CG1 4.37Å; K215-V232 HydrophobicContact CG-CG2 4.24Å
233	V	28.4	Very low	29.5	Very low	91 Å²	91	125.3 Å²	125.3	55%	0.552	65%	0.653	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-99.6	120.6	178.7	-177	0	0	0	0	109.3	V213 R214	V213-V233 PolarHBondContact N-O 2.9Å; R214-V233 PolarHBondContact N-O 2.94Å; R214-V233 PolarHBondContact O-N 2.94Å
234	C	28.3	Very low	28.8	Very low	48 Å²	48	125.5 Å²	125.5	32%	0.324	65%	0.652	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.7	135.2	-179.8	-61.2	0	0	0	0	110.1
235	R	26.9	Very low	27.9	Very low	208 Å²	208	131.8 Å²	131.8	79%	0.785	66%	0.662	S	S	*	*			trans	-99.6	115.5	176.1	-149.5	179.4	-165.9	-174.7	3.5	108.7	V213	V213-R235 HydrophobicContact CG2-CB 3.65Å
236	H	26.2	Very low	27.8	Very low	128 Å²	128	130.3 Å²	130.3	59%	0.593	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-78.7	129.4	-179.4	-61.8	88.4	0	0	0	109.6	Y238	H236-Y238 HydrophobicContact CB-CE2 4.38Å
237	K	26.5	Very low	27.6	Very low	214 Å²	214	127.6 Å²	127.6	93%	0.93	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-102.9	120.2	168.9	-97.4	-172.3	174.3	-173.5	0	108.5
238	Y	26.3	Very low	27.4	Very low	205 Å²	205	130.5 Å²	130.5	80%	0.804	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-83.4	130.6	174.1	-57.2	-91.2	0	0	0	108.1	H236	H236-Y238 HydrophobicContact CB-CE2 4.38Å
239	C	25.4	Very low	27.2	Very low	122 Å²	122	133.4 Å²	133.4	82%	0.824	69%	0.694	S	S	*	*			trans	-98.3	107.2	167.5	-142.1	0	0	0	0	105.3	D241	C239-D241 PolarHBondContact O-N 3.01Å
240	E	27	Very low	26.8	Very low	182 Å²	182	137 Å²	137	85%	0.85	72%	0.717	S	S	*	*			trans	-70.6	121.8	168.2	-80.7	-178.3	158.4	0	0	108	A242	E240-A242 VanDerWaalsContact C-N 3.32Å; E240-A242 PolarHBondContact O-N 2.74Å
241	D	27.8	Very low	26.5	Very low	170 Å²	170	139.3 Å²	139.3	91%	0.909	73%	0.731	S	S	*	*			trans	-63.4	89.7	174	-74.8	-42.1	0	0	0	109.7	C239	C239-D241 PolarHBondContact O-N 3.01Å
242	A	25.5	Very low	26.3	Very low	78 Å²	78	138.7 Å²	138.7	65%	0.645	74%	0.74	S	S	*	*			trans	-150.3	106.9	167	0	0	0	0	0	111.9	E240	E240-A242 VanDerWaalsContact C-N 3.32Å; E240-A242 PolarHBondContact O-N 2.74Å
243	K	25.5	Very low	26.1	Very low	181 Å²	181	140.8 Å²	140.8	79%	0.787	76%	0.757	S	S	*	*			trans	76	99.9	149.8	-58.2	177.7	-179	178.7	0	117.3	F245	K243-F245 PolarHBondContact O-N 2.86Å
244	L	23.6	Very low	26.2	Very low	172 Å²	172	141.5 Å²	141.5	90%	0.901	77%	0.766	S	S	*	*				22	99.9	122.4	-77.8	145.1	0	0	0	115.1
245	F	24.8	Very low	26.2	Very low	198 Å²	198	145.1 Å²	145.1	87%	0.868	79%	0.787	S	S	*	*			trans	-132.3	126.8	148	-85.2	-79.1	0	0	0	109.8	K243	K243-F245 PolarHBondContact O-N 2.86Å
246	P	27.8	Very low	26	Very low	111 Å²	111	143.1 Å²	143.1	72%	0.721	79%	0.786	S	S	*	*			trans	-78.8	154.1	-173.6	33.2	-34.2	0	0	0	111.8
247	S	25.5	Very low	25.9	Very low	97 Å²	97	142.6 Å²	142.6	68%	0.678	79%	0.794	S	S	*	*	S	Bend	trans	1	130.7	157.3	54.3	0	0	0	0	118.3
248	N	26	Very low	25.9	Very low	146 Å²	146	138 Å²	138	78%	0.781	79%	0.786	S	S	*	*			trans	98.3	82.8	158.1	-50.6	-15.4	0	0	0	115.3
249	T	25.8	Very low	25.7	Very low	139 Å²	139	137.1 Å²	137.1	85%	0.853	79%	0.789	S	S	*	*				162.2	112.9	124.9	40.1	0	0	0	0	108.3
250	C	25.1	Very low	25.7	Very low	114 Å²	114	137.5 Å²	137.5	77%	0.77	79%	0.792	S	S	*	*			trans	-145.1	93.4	155.8	-163	0	0	0	0	108.6	C252	C250-C252 PolarHBondContact O-N 3.35Å
251	T	23.8	Very low	25.5	Very low	129 Å²	129	134 Å²	134	79%	0.791	79%	0.788	S	S	*	*			trans	-75.2	100.9	167.9	38.3	0	0	0	0	108.7
252	C	27.5	Very low	25.3	Very low	113 Å²	113	130.8 Å²	130.8	76%	0.764	78%	0.778	S	S	*	*			trans	-101.3	73.1	170.7	-49.9	0	0	0	0	109.1	C250 S254	C250-C252 PolarHBondContact O-N 3.35Å; C252-S254 PolarHBondContact O-N 3.24Å
253	S	25	Very low	25.3	Very low	110 Å²	110	134 Å²	134	77%	0.769	79%	0.79	S	S	*	*			trans	-70.6	113.4	163.2	42.6	0	0	0	0	109.1
254	S	29.4	Very low	25.2	Very low	107 Å²	107	132.9 Å²	132.9	75%	0.748	79%	0.792	S	S	*	*			trans	-125	93.8	164.6	178.8	0	0	0	0	108	C252 H256	C252-S254 PolarHBondContact O-N 3.24Å; S254-H256 PolarHBondContact O-N 2.98Å; S254-H256 VanDerWaalsContact O-N 3.17Å
255	T	27.7	Very low	25.1	Very low	124 Å²	124	128.6 Å²	128.6	76%	0.761	78%	0.782	S	S	*	*			trans	-72.7	84.9	166.6	40.7	0	0	0	0	108.9
256	H	24	Very low	25.2	Very low	166 Å²	166	124.9 Å²	124.9	77%	0.769	78%	0.775	S	S	*	*			trans	-159.8	104.7	152.5	-81.6	-54	0	0	0	109.1	S254	S254-H256 PolarHBondContact O-N 2.98Å; S254-H256 VanDerWaalsContact O-N 3.17Å
257	P	24.7	Very low	24.9	Very low	116 Å²	116	130.1 Å²	130.1	75%	0.753	78%	0.781	S	S	*	*			trans	-71.5	136	172.2	29.4	-30.6	0	0	0	109.4	E259	P257-E259 PolarHBondContact O-N 3.05Å
258	P	25.5	Very low	25	Very low	117 Å²	117	131.6 Å²	131.6	76%	0.76	78%	0.776	S	S	*	*			trans	-70.7	129.7	-178.6	27.5	-31.2	0	0	0	110.8	C260	P258-C260 PolarHBondContact O-N 3.2Å; P258-C260 VanDerWaalsContact O-N 3.17Å
259	E	23	Very low	25.1	Very low	187 Å²	187	132.1 Å²	132.1	87%	0.874	78%	0.778	S	S	*	*			trans	-61.4	111	172.3	-74	176.8	151.4	0	0	110.3	P257 S261	P257-E259 PolarHBondContact O-N 3.05Å; E259-S261 PolarHBondContact O-N 3.49Å; E259-S261 VanDerWaalsContact O-N 3.1Å
260	C	24.3	Very low	25.2	Very low	131 Å²	131	132.1 Å²	132.1	89%	0.885	77%	0.769	S	S	*	*			trans	-75.9	85.1	171.1	-75	0	0	0	0	110.1	P258	P258-C260 PolarHBondContact O-N 3.2Å; P258-C260 VanDerWaalsContact O-N 3.17Å
261	S	23.6	Very low	25.5	Very low	108 Å²	108	129.6 Å²	129.6	76%	0.755	76%	0.756	S	S	*	*			trans	-104.4	81.5	168.5	63.4	0	0	0	0	110.6	E259	E259-S261 PolarHBondContact O-N 3.49Å; E259-S261 VanDerWaalsContact O-N 3.1Å
262	S	23.7	Very low	25.9	Very low	102 Å²	102	128.7 Å²	128.7	71%	0.713	75%	0.746	S	S	*	*			trans	172.4	82.2	147.8	57.5	0	0	0	0	109	L264	S262-L264 VanDerWaalsContact C-N 3.26Å; S262-L264 PolarHBondContact O-N 3.32Å
263	T	24.5	Very low	26	Very low	145 Å²	145	128.9 Å²	128.9	89%	0.89	74%	0.739	S	S	*	*			trans	-62.5	95	157.7	6.4	0	0	0	0	107	A265	T263-A265 VanDerWaalsContact C-N 3.26Å; T263-A265 PolarHBondContact O-N 3.01Å
264	L	23.6	Very low	26.3	Very low	159 Å²	159	128.5 Å²	128.5	83%	0.832	73%	0.729	S	S	*	*			trans	-60.7	96.9	162.2	-112.5	136	0	0	0	105.8	S262 T266	S262-L264 VanDerWaalsContact C-N 3.26Å; S262-L264 PolarHBondContact O-N 3.32Å; L264-T266 VanDerWaalsContact C-N 3.33Å; L264-T266 PolarHBondContact O-N 3.29Å
265	A	22.4	Very low	26.4	Very low	82 Å²	82	130.1 Å²	130.1	68%	0.678	72%	0.722	S	S	*	*			trans	-63.4	98.2	172.8	0	0	0	0	0	107.5	T263 R267	T263-A265 VanDerWaalsContact C-N 3.26Å; T263-A265 PolarHBondContact O-N 3.01Å; A265-R267 PolarHBondContact O-N 3.49Å
266	T	25.5	Very low	26.8	Very low	119 Å²	119	127.5 Å²	127.5	73%	0.73	71%	0.709	S	S	*	*			trans	-57.5	91.5	156	37.2	0	0	0	0	106.5	L264 H268	L264-T266 VanDerWaalsContact C-N 3.33Å; L264-T266 PolarHBondContact O-N 3.29Å; T266-H268 VanDerWaalsContact C-N 3.34Å; T266-H268 PolarHBondContact O-N 3.31Å
267	R	22.9	Very low	27.2	Very low	222 Å²	222	123.9 Å²	123.9	84%	0.838	69%	0.694	S	S	*	*			trans	-58.8	102.9	167.4	-72.4	-175	-177.7	173.7	-0.3	106.1	A265 L269	A265-R267 PolarHBondContact O-N 3.49Å; R267-L269 PolarHBondContact O-N 3.3Å
268	H	27	Very low	27.7	Very low	128 Å²	128	124.5 Å²	124.5	59%	0.593	69%	0.687	S	S	*	*			trans	-62.4	103.2	174.8	-93.9	-91.4	0	0	0	108.2	T266 E270 A271	T266-H268 VanDerWaalsContact C-N 3.34Å; T266-H268 PolarHBondContact O-N 3.31Å; H268-E270 PolarHBondContact O-N 3.04Å; H268-E270 VanDerWaalsContact O-N 3.07Å; H268-A271 PolarHBondContact O-N 3.35Å
269	L	28.3	Very low	28.2	Very low	156 Å²	156	125 Å²	125	82%	0.817	68%	0.679	S	S	*	*	H	α-helix	trans	-51.1	-25.1	173.7	-101	138.8	0	0	0	113.1	R267 L273	R267-L269 PolarHBondContact O-N 3.3Å; L269-L273 PolarHBondContact O-N 3.04Å
270	E	27.2	Very low	29	Very low	140 Å²	140	123.5 Å²	123.5	65%	0.654	67%	0.67	S	S	*	*	H	α-helix	trans	-67.9	-31.3	176.5	-78	175.2	137.8	0	0	114.1	H268 N274	H268-E270 PolarHBondContact O-N 3.04Å; H268-E270 VanDerWaalsContact O-N 3.07Å; E270-N274 PolarHBondContact O-N 2.95Å
271	A	32.1	Very low	29.8	Very low	61 Å²	61	124.2 Å²	124.2	50%	0.504	66%	0.66	S	S	.	*	H	α-helix	trans	-74.6	-35.9	-176.6	0	0	0	0	0	112	H268 K275	H268-A271 PolarHBondContact O-N 3.35Å; A271-K275 WeakPolarHBondContact O-CB 3.15Å; A271-K275 PolarHBondContact O-N 3.38Å
272	D	30.9	Very low	30.4	Very low	109 Å²	109	125 Å²	125	58%	0.583	66%	0.656	S	S	*	*	H	α-helix	trans	-73.7	-35	178.7	-71.1	-24.8	0	0	0	111.4	K275 S276	D272-K275 PolarHBondContact O-N 3.07Å; D272-S276 PolarHBondContact O-N 2.83Å
273	L	30	Very low	31.1	Very low	117 Å²	117	127 Å²	127	61%	0.613	66%	0.658	S	S	*	*	H	α-helix	trans	-64.4	-46.9	176.6	-152.1	90	0	0	0	111.7	L269 K275 S276 I277	L269-L273 PolarHBondContact O-N 3.04Å; L273-K275 VanDerWaalsContact C-N 3.33Å; L273-K275 PolarHBondContact O-N 3.43Å; L273-S276 PolarHBondContact O-N 3.03Å; L273-I277 HydrophobicContact CD2-CD1 4.46Å; L273-I277 WeakPolarHBondContact O-CG1 3.06Å; L273-I277 PolarHBondContact O-N 2.98Å
274	N	31.7	Very low	31.4	Very low	103 Å²	103	127.7 Å²	127.7	55%	0.551	65%	0.651	S	S	*	*	H	α-helix	trans	-67.5	-33.4	179.5	-78.6	-21.7	0	0	0	112.5	E270 I277 Q278	E270-N274 PolarHBondContact O-N 2.95Å; N274-I277 PolarHBondContact O-N 3.37Å; N274-Q278 PolarHBondContact O-N 3.24Å
275	K	32.5	Very low	31.9	Very low	141 Å²	141	126.6 Å²	126.6	61%	0.613	65%	0.647	S	S	*	*	H	α-helix	trans	-70.2	-35.1	176.4	-144.2	178.2	-171.3	-177.1	0	112.1	A271 D272 L273 Q279	A271-K275 WeakPolarHBondContact O-CB 3.15Å; A271-K275 PolarHBondContact O-N 3.38Å; D272-K275 PolarHBondContact O-N 3.07Å; L273-K275 VanDerWaalsContact C-N 3.33Å; L273-K275 PolarHBondContact O-N 3.43Å; K275-Q279 WeakPolarHBondContact O-CG 3.26Å; K275-Q279 PolarHBondContact O-N 3.11Å
276	S	35.2	Very low	32.2	Very low	68 Å²	68	131 Å²	131	48%	0.476	65%	0.653	S	S	.	*	H	α-helix	trans	-72.1	-32.3	176.2	-155.4	0	0	0	0	112.5	D272 L273 K280	D272-S276 PolarHBondContact O-N 2.83Å; L273-S276 PolarHBondContact O-N 3.03Å; S276-K280 PolarHBondContact O-N 3.45Å
277	I	32.8	Very low	32.5	Very low	91 Å²	91	132.9 Å²	132.9	47%	0.467	66%	0.658	S	S	.	*	H	α-helix	trans	-68.7	-44.4	173.7	-66.6	167.7	0	0	0	110.3	L273 N274 Q279 K280 E281	L273-I277 HydrophobicContact CD2-CD1 4.46Å; L273-I277 WeakPolarHBondContact O-CG1 3.06Å; L273-I277 PolarHBondContact O-N 2.98Å; N274-I277 PolarHBondContact O-N 3.37Å; I277-Q279 PolarHBondContact O-N 2.94Å; I277-K280 PolarHBondContact O-N 3.05Å; I277-K280 VanDerWaalsContact O-N 3.12Å; I277-E281 PolarHBondContact O-N 2.99Å
278	Q	35.4	Very low	32.7	Very low	128 Å²	128	128.9 Å²	128.9	60%	0.598	66%	0.659	S	S	*	*	H	α-helix	trans	-64.8	-36.9	175.5	-89.7	172.7	-18.8	0	0	113.3	N274 K280 E281 D282	N274-Q278 PolarHBondContact O-N 3.24Å; Q278-K280 PolarHBondContact O-N 2.84Å; Q278-E281 PolarHBondContact O-N 3.18Å; Q278-D282 PolarHBondContact O-N 3.44Å; Q278-D282 VanDerWaalsContact O-N 3.14Å
279	Q	36.4	Very low	32.8	Very low	127 Å²	127	127.9 Å²	127.9	59%	0.593	67%	0.666	S	S	*	*	H	α-helix	trans	-67.1	-20.3	174.7	-80.6	-172.7	-16.9	0	0	113.7	K275 I277	K275-Q279 WeakPolarHBondContact O-CG 3.26Å; K275-Q279 PolarHBondContact O-N 3.11Å; I277-Q279 PolarHBondContact O-N 2.94Å
280	K	38.9	Very low	32.8	Very low	157 Å²	157	128.8 Å²	128.8	68%	0.683	67%	0.672	S	S	*	*	H	α-helix	trans	-83.8	-32.4	175.8	-138.6	174.8	-175.6	178.7	0	112.2	S276 I277 Q278	S276-K280 PolarHBondContact O-N 3.45Å; I277-K280 PolarHBondContact O-N 3.05Å; I277-K280 VanDerWaalsContact O-N 3.12Å; Q278-K280 PolarHBondContact O-N 2.84Å
281	E	41	Very low	32.9	Very low	145 Å²	145	126.2 Å²	126.2	68%	0.678	67%	0.67	S	S	*	*	H	α-helix	trans	-72.3	-33.7	173.8	-74	-173.5	157.6	0	0	112.8	I277 Q278 N283	I277-E281 PolarHBondContact O-N 2.99Å; Q278-E281 PolarHBondContact O-N 3.18Å; E281-N283 VanDerWaalsContact C-N 3.34Å; E281-N283 PolarHBondContact O-N 3.47Å
282	D	35.6	Very low	32.6	Very low	126 Å²	126	128.5 Å²	128.5	67%	0.674	69%	0.688	S	S	*	*	H	α-helix	trans	-74.2	-21.9	179.4	-77.1	-24.2	0	0	0	113.8	Q278	Q278-D282 PolarHBondContact O-N 3.44Å; Q278-D282 VanDerWaalsContact O-N 3.14Å
283	N	38.4	Very low	32.5	Very low	142 Å²	142	131.2 Å²	131.2	76%	0.759	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	0.7	-174.9	-88	-25.7	0	0	0	115.6	E281	E281-N283 VanDerWaalsContact C-N 3.34Å; E281-N283 PolarHBondContact O-N 3.47Å
284	E	32.8	Very low	32.3	Very low	160 Å²	160	131.7 Å²	131.7	75%	0.748	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	9.2	174.6	-76.9	-170.8	167.6	0	0	114.4	H286	E284-H286 PolarHBondContact O-N 3.13Å
285	N	32.2	Very low	32.1	Very low	137 Å²	137	131.1 Å²	131.1	73%	0.733	71%	0.709	S	S	*	*			trans	-82.4	48.2	170.7	-91.7	-25.5	0	0	0	113.5
286	H	29.6	Very low	31.7	Very low	175 Å²	175	131.7 Å²	131.7	81%	0.81	72%	0.718	S	S	*	*			trans	-154.4	81.7	160.1	-84	-52.1	0	0	0	110.3	E284	E284-H286 PolarHBondContact O-N 3.13Å
287	N	31.1	Very low	31.3	Very low	158 Å²	158	132.8 Å²	132.8	85%	0.845	73%	0.725	S	S	*	*				176	114	124.8	-86.8	-31.3	0	0	0	110.7	S289	N287-S289 PolarHBondContact O-N 3.23Å
288	T	27.7	Very low	31	Very low	138 Å²	138	134 Å²	134	85%	0.847	74%	0.742	S	S	*	*			trans	-47	117.8	161.9	33.6	0	0	0	0	112.3
289	S	29.2	Very low	30.6	Very low	107 Å²	107	136.2 Å²	136.2	75%	0.748	75%	0.752	S	S	*	*				174.5	114.1	123.9	41.2	0	0	0	0	111.3	N287 S291	N287-S289 PolarHBondContact O-N 3.23Å; S289-S291 PolarHBondContact O-N 3.36Å; S289-S291 VanDerWaalsContact O-N 3.15Å
290	N	28.1	Very low	30.3	Very low	174 Å²	174	137.4 Å²	137.4	93%	0.93	76%	0.763	S	S	*	*			trans	3.4	90.7	156.7	-60.2	-15.1	0	0	0	116.9
291	S	28.9	Very low	29.8	Very low	87 Å²	87	136.5 Å²	136.5	61%	0.608	76%	0.764	S	S	*	*			trans	-128.9	118.2	143.4	66.4	0	0	0	0	107.3	S289 Q293	S289-S291 PolarHBondContact O-N 3.36Å; S289-S291 VanDerWaalsContact O-N 3.15Å; S291-Q293 PolarHBondContact O-N 2.93Å
292	A	26.3	Very low	29.3	Very low	109 Å²	109	135 Å²	135	90%	0.901	77%	0.765	S	S	*	*			trans	-69.6	74.5	173.7	0	0	0	0	0	108.3	T294	A292-T294 PolarHBondContact O-N 3.18Å
293	Q	28.9	Very low	28.9	Very low	166 Å²	166	134.6 Å²	134.6	78%	0.776	77%	0.769	S	S	*	*			trans	-77.3	102.6	167.1	-80	-176.9	-17.3	0	0	107.1	S291 S295	S291-Q293 PolarHBondContact O-N 2.93Å; Q293-S295 PolarHBondContact O-N 3.17Å
294	T	26.4	Very low	28.5	Very low	126 Å²	126	131.7 Å²	131.7	77%	0.773	75%	0.75	S	S	*	*			trans	-46.1	106.9	160.4	33.2	0	0	0	0	108.9	A292 I296	A292-T294 PolarHBondContact O-N 3.18Å; T294-I296 VanDerWaalsContact C-N 3.34Å; T294-I296 PolarHBondContact O-N 2.88Å
295	S	25.9	Very low	28.4	Very low	91 Å²	91	126.7 Å²	126.7	64%	0.636	73%	0.732	S	S	*	*			trans	-60.4	95	170.3	32.2	0	0	0	0	108.8	Q293 S297	Q293-S295 PolarHBondContact O-N 3.17Å; S295-S297 PolarHBondContact O-N 3.23Å; S295-S297 VanDerWaalsContact O-N 3.12Å
296	I	25.6	Very low	28.2	Very low	154 Å²	154	124.7 Å²	124.7	79%	0.79	72%	0.721	S	S	*	*			trans	-67.1	106.2	161.5	-61.4	173.2	0	0	0	104.6	T294 S298	T294-I296 VanDerWaalsContact C-N 3.34Å; T294-I296 PolarHBondContact O-N 2.88Å; I296-S298 PolarHBondContact O-N 3.14Å; I296-S298 VanDerWaalsContact O-N 3.13Å
297	S	26	Very low	28.3	Very low	91 Å²	91	122 Å²	122	64%	0.636	72%	0.717	S	S	*	*			trans	-54.8	116.6	174.7	50.1	0	0	0	0	108.9	S295 E299	S295-S297 PolarHBondContact O-N 3.23Å; S295-S297 VanDerWaalsContact O-N 3.12Å; S297-E299 PolarHBondContact O-N 3.15Å
298	S	25.8	Very low	28	Very low	117 Å²	117	120.4 Å²	120.4	82%	0.818	71%	0.705	S	S	*	*			trans	-61.6	84	165.5	-42.3	0	0	0	0	108.1	I296 N300	I296-S298 PolarHBondContact O-N 3.14Å; I296-S298 VanDerWaalsContact O-N 3.13Å; S298-N300 PolarHBondContact O-N 3.2Å; S298-N300 VanDerWaalsContact O-N 3.12Å
299	E	28.5	Very low	27.9	Very low	173 Å²	173	116.9 Å²	116.9	81%	0.808	69%	0.685	S	S	*	*			trans	-55.8	120	165.1	-84.3	-179.8	158.3	0	0	107.2	S297 I301	S297-E299 PolarHBondContact O-N 3.15Å; E299-I301 PolarHBondContact O-N 3.33Å
300	N	30.2	Very low	27.8	Very low	152 Å²	152	117 Å²	117	81%	0.813	68%	0.683	S	S	*	*			trans	-44.3	111.7	-177.4	-76.5	-35.9	0	0	0	111	S298 T302	S298-N300 PolarHBondContact O-N 3.2Å; S298-N300 VanDerWaalsContact O-N 3.12Å; N300-T302 PolarHBondContact O-N 3.28Å
301	I	28.3	Very low	27.7	Very low	139 Å²	139	112.5 Å²	112.5	71%	0.713	66%	0.659	S	S	*	*			trans	-67.4	99	171.8	-60.1	171.9	0	0	0	107	E299	E299-I301 PolarHBondContact O-N 3.33Å
302	T	30.2	Very low	27.6	Very low	113 Å²	113	112.5 Å²	112.5	69%	0.693	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-71.2	127.5	168.8	40.2	0	0	0	0	108.9	N300 F304	N300-T302 PolarHBondContact O-N 3.28Å; T302-F304 PolarHBondContact O-N 3.36Å
303	P	26.7	Very low	27.4	Very low	117 Å²	117	114.5 Å²	114.5	76%	0.76	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-58.8	127	174.3	-20.8	31.2	0	0	0	110.6	S305	P303-S305 PolarHBondContact O-N 3.1Å
304	F	30.7	Very low	27.2	Very low	82 Å²	82	111.6 Å²	111.6	36%	0.36	63%	0.634	S	S	.	*	P	Polyproline II helix	trans	-67.7	124.6	178.3	-179.4	-98	0	0	0	111	T302 E308	T302-F304 PolarHBondContact O-N 3.36Å; F304-E308 HydrophobicContact CE2-CB 4.27Å
305	S	30.7	Very low	27.2	Very low	54 Å²	54	111.3 Å²	111.3	38%	0.378	62%	0.622	S	S	.	*	P	Polyproline II helix	trans	-95.8	138.3	167.1	174.6	0	0	0	0	109.7	P303 T307 E308	P303-S305 PolarHBondContact O-N 3.1Å; S305-T307 WeakPolarHBondContact CB-OG1 3.3Å; S305-T307 PolarHBondContact O-N 3.02Å; S305-T307 PolarHBondContact OG-N 3.49Å; S305-T307 PolarHBondContact OG-OG1 3.24Å; S305-E308 PolarHBondContact O-N 2.96Å
306	L	27.6	Very low	27.1	Very low	95 Å²	95	113.5 Å²	113.5	50%	0.497	62%	0.62	S	S	.	*	G	3₁₀ helix	trans	-56.3	-13	175.1	-86.7	155.8	0	0	0	113.8	E308	L306-E308 VanDerWaalsContact C-N 3.31Å
307	T	30.8	Very low	27.1	Very low	120 Å²	120	109.2 Å²	109.2	74%	0.736	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-71.6	-18.2	173.5	50.4	0	0	0	0	114.2	S305	S305-T307 WeakPolarHBondContact CB-OG1 3.3Å; S305-T307 PolarHBondContact O-N 3.02Å; S305-T307 PolarHBondContact OG-N 3.49Å; S305-T307 PolarHBondContact OG-OG1 3.24Å
308	E	26.6	Very low	27	Very low	124 Å²	124	110.3 Å²	110.3	58%	0.579	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-98.2	19.2	-171.6	-66.5	-179.9	167.9	0	0	114.2	F304 S305 L306 P310	F304-E308 HydrophobicContact CE2-CB 4.27Å; S305-E308 PolarHBondContact O-N 2.96Å; L306-E308 VanDerWaalsContact C-N 3.31Å; E308-P310 WeakPolarHBondContact O-CD 3.37Å
309	C	24.5	Very low	27	Very low	63 Å²	63	110.7 Å²	110.7	43%	0.426	59%	0.592	S	S	.	*			trans	-77.2	111.5	-176.3	-150.5	0	0	0	0	112	L311	C309-L311 PolarHBondContact O-N 2.96Å; C309-L311 VanDerWaalsContact O-N 3.14Å
310	P	26.4	Very low	26.9	Very low	110 Å²	110	109.6 Å²	109.6	71%	0.714	59%	0.585	S	S	*	*			trans	-79.6	9.2	-176.3	-9.7	28.8	0	0	0	114.3	E308 L312	E308-P310 WeakPolarHBondContact O-CD 3.37Å; P310-L312 PolarHBondContact O-N 3.37Å
311	L	26.5	Very low	26.8	Very low	80 Å²	80	109.6 Å²	109.6	42%	0.419	58%	0.58	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.5	4	-167	-72	174.4	0	0	0	115.8	C309	C309-L311 PolarHBondContact O-N 2.96Å; C309-L311 VanDerWaalsContact O-N 3.14Å
312	L	26.5	Very low	26.8	Very low	86 Å²	86	107 Å²	107	45%	0.45	57%	0.571	S	S	.	*	H	α-helix	trans	-81.7	-23.8	177.7	-94.9	154.1	0	0	0	113.7	P310 F315	P310-L312 PolarHBondContact O-N 3.37Å; L312-F315 WeakPolarHBondContact O-CB 3.44Å; L312-F315 PolarHBondContact O-N 3.26Å
313	M	22.5	Very low	26.7	Very low	151 Å²	151	105.4 Å²	105.4	74%	0.744	56%	0.561	S	S	*	*	H	α-helix	trans	-70.2	-35.9	178.7	-72	-69	-90.8	0	0	112.5	F315 F316	M313-F315 PolarHBondContact O-N 3.46Å; M313-F316 PolarHBondContact O-N 3.22Å; M313-F316 VanDerWaalsContact O-N 3.11Å
314	D	25.3	Very low	26.8	Very low	105 Å²	105	105.1 Å²	105.1	56%	0.561	55%	0.553	S	S	*	*	H	α-helix	trans	-66	-27.6	178.1	-75.6	-15.6	0	0	0	112.6	F316 A317 I318	D314-F316 PolarHBondContact O-N 2.89Å; D314-A317 PolarHBondContact O-N 2.92Å; D314-I318 PolarHBondContact O-N 3.5Å
315	F	25.3	Very low	26.9	Very low	120 Å²	120	104.9 Å²	104.9	53%	0.526	56%	0.562	S	S	.	*	H	α-helix	trans	-63.2	-29.1	175.4	-121.4	-83.6	0	0	0	112.4	L312 M313 K319	L312-F315 WeakPolarHBondContact O-CB 3.44Å; L312-F315 PolarHBondContact O-N 3.26Å; M313-F315 PolarHBondContact O-N 3.46Å; F315-K319 PolarHBondContact O-N 2.98Å
316	F	24	Very low	26.8	Very low	138 Å²	138	109.4 Å²	109.4	61%	0.605	58%	0.58	S	S	*	*	H	α-helix	trans	-78.7	-30.3	176.6	-81.7	-79.5	0	0	0	113.2	M313 D314 K319 K320	M313-F316 PolarHBondContact O-N 3.22Å; M313-F316 VanDerWaalsContact O-N 3.11Å; D314-F316 PolarHBondContact O-N 2.89Å; F316-K319 PolarHBondContact O-N 3.37Å; F316-K320 PolarHBondContact O-N 3.35Å; F316-K320 VanDerWaalsContact O-N 3.16Å
317	A	26.7	Very low	26.9	Very low	63 Å²	63	111.9 Å²	111.9	52%	0.521	59%	0.593	S	S	.	*	H	α-helix	trans	-64.4	-44.4	174.3	0	0	0	0	0	111.1	D314 K319 K320 E321	D314-A317 PolarHBondContact O-N 2.92Å; A317-K319 VanDerWaalsContact C-N 3.31Å; A317-K319 PolarHBondContact O-N 2.67Å; A317-K320 PolarHBondContact O-N 3.2Å; A317-E321 PolarHBondContact O-N 3.43Å
318	I	23.8	Very low	26.8	Very low	114 Å²	114	113 Å²	113	59%	0.585	60%	0.595	S	S	*	*	H	α-helix	trans	-64.6	-35.9	179.1	-61.7	172.8	0	0	0	111.4	D314 T322	D314-I318 PolarHBondContact O-N 3.5Å; I318-T322 PolarHBondContact O-N 2.87Å; I318-T322 PolarHBondContact O-OG1 3.26Å
319	K	26.5	Very low	26.6	Very low	125 Å²	125	115.6 Å²	115.6	54%	0.543	61%	0.607	S	S	.	*	H	α-helix	trans	-74	-30.5	-179.7	-146.1	178.3	-174.8	-177.8	0	113	F315 F316 A317 T322 T323	F315-K319 PolarHBondContact O-N 2.98Å; F316-K319 PolarHBondContact O-N 3.37Å; A317-K319 VanDerWaalsContact C-N 3.31Å; A317-K319 PolarHBondContact O-N 2.67Å; K319-T322 PolarHBondContact O-N 3.07Å; K319-T322 PolarHBondContact O-OG1 2.95Å; K319-T323 PolarHBondContact O-N 3.46Å; K319-T323 PolarHBondContact O-OG1 2.91Å
320	K	25.9	Very low	26.7	Very low	150 Å²	150	121.3 Å²	121.3	65%	0.652	63%	0.625	S	S	*	*	H	α-helix	trans	-71.1	-33.8	178.3	-156.2	175.8	-176.6	-178.8	0	112.2	F316 A317 T323 N324	F316-K320 PolarHBondContact O-N 3.35Å; F316-K320 VanDerWaalsContact O-N 3.16Å; A317-K320 PolarHBondContact O-N 3.2Å; K320-T323 PolarHBondContact O-OG1 2.93Å; K320-N324 PolarHBondContact O-N 3.24Å
321	E	28.1	Very low	26.5	Very low	153 Å²	153	123 Å²	123	72%	0.715	63%	0.628	S	S	*	*	H	α-helix	trans	-69.2	-36	173.1	-88.1	-174.5	155.8	0	0	113.2	A317 S325	A317-E321 PolarHBondContact O-N 3.43Å; E321-S325 PolarHBondContact O-N 3.19Å; E321-S325 PolarHBondContact O-OG 3.33Å
322	T	28.4	Very low	26.4	Very low	85 Å²	85	124.7 Å²	124.7	52%	0.521	65%	0.647	S	S	.	*	H	α-helix	trans	-75.1	-27.9	179.3	20.8	0	0	0	0	113.2	I318 K319 S325	I318-T322 PolarHBondContact O-N 2.87Å; I318-T322 PolarHBondContact O-OG1 3.26Å; K319-T322 PolarHBondContact O-N 3.07Å; K319-T322 PolarHBondContact O-OG1 2.95Å; T322-S325 PolarHBondContact O-OG 2.83Å
323	T	27.5	Very low	26.3	Very low	79 Å²	79	125.1 Å²	125.1	49%	0.485	66%	0.662	S	S	.	*	H	α-helix	trans	-77	-30.9	174.9	46.9	0	0	0	0	113.5	K319 K320	K319-T323 PolarHBondContact O-N 3.46Å; K319-T323 PolarHBondContact O-OG1 2.91Å; K320-T323 PolarHBondContact O-OG1 2.93Å
324	N	28.3	Very low	26.3	Very low	110 Å²	110	127.5 Å²	127.5	59%	0.588	67%	0.669	S	S	*	*	H	α-helix	trans	-77.1	-24.8	179	-73.8	-10.4	0	0	0	112.9	K320	K320-N324 PolarHBondContact O-N 3.24Å
325	S	32.2	Very low	26.2	Very low	78 Å²	78	129 Å²	129	55%	0.545	68%	0.677	S	S	.	*	H	α-helix	trans	-79.5	-18.8	178.6	45.1	0	0	0	0	113.9	E321 T322	E321-S325 PolarHBondContact O-N 3.19Å; E321-S325 PolarHBondContact O-OG 3.33Å; T322-S325 PolarHBondContact O-OG 2.83Å
326	L	30.2	Very low	26.2	Very low	148 Å²	148	127.7 Å²	127.7	78%	0.775	68%	0.682	S	S	*	*	S	Bend	trans	-87.5	-15	-179.5	-150.7	75.1	0	0	0	114.2
327	L	30	Very low	26.2	Very low	147 Å²	147	127.6 Å²	127.6	77%	0.77	69%	0.688	S	S	*	*	S	Bend	trans	-95.6	-6.9	-173.4	-108	148.2	0	0	0	115.3
328	N	27.2	Very low	26.1	Very low	145 Å²	145	130.1 Å²	130.1	78%	0.775	69%	0.693	S	S	*	*			trans	-115.6	24	-177.4	-72.3	-15	0	0	0	114.7	K330	N328-K330 VanDerWaalsContact C-N 3.33Å; N328-K330 PolarHBondContact O-N 3.23Å
329	Q	24.1	Very low	26.1	Very low	178 Å²	178	133.6 Å²	133.6	83%	0.832	71%	0.712	S	S	*	*			trans	-85.4	77.2	163.5	-81.1	-171.5	-7	0	0	110.2
330	K	25.3	Very low	25.9	Very low	182 Å²	182	132 Å²	132	79%	0.791	72%	0.717	S	S	*	*			trans	-142	114.6	158.3	-102.6	-174.3	178.6	-179.4	0	109.9	N328	N328-K330 VanDerWaalsContact C-N 3.33Å; N328-K330 PolarHBondContact O-N 3.23Å
331	D	22.3	Very low	25.9	Very low	145 Å²	145	130 Å²	130	78%	0.775	72%	0.721	S	S	*	*			trans	48.7	97.2	147.1	-54.3	-31.6	0	0	0	118.3
332	S	25	Very low	25.7	Very low	117 Å²	117	131 Å²	131	82%	0.818	73%	0.731	S	S	*	*				-179.7	118.3	116.4	57.2	0	0	0	0	110.7
333	A	23.3	Very low	25.4	Very low	94 Å²	94	135.5 Å²	135.5	78%	0.777	75%	0.751	S	S	*	*			trans	-61.7	129.5	155.7	0	0	0	0	0	109.2
334	F	23.7	Very low	25.2	Very low	202 Å²	202	134.5 Å²	134.5	89%	0.886	76%	0.757	S	S	*	*			trans	-167.3	142	139.7	-114	-78.3	0	0	0	109.3
335	D	23.4	Very low	25	Very low	137 Å²	137	138.5 Å²	138.5	73%	0.733	77%	0.772	S	S	*	*			trans	-68.1	154.8	-163.4	-66.2	-66.5	0	0	0	116
336	S	24.7	Very low	24.6	Very low	91 Å²	91	142.2 Å²	142.2	64%	0.636	79%	0.785	S	S	*	*			trans	43.2	123.8	139.2	65.3	0	0	0	0	119.9
337	D	23.1	Very low	24.2	Very low	136 Å²	136	143.8 Å²	143.8	73%	0.727	79%	0.788	S	S	*	*				-172.7	124.6	103.5	-93.1	-27.3	0	0	0	114.4
338	N	24.7	Very low	24	Very low	116 Å²	116	141.8 Å²	141.8	62%	0.62	78%	0.784	S	S	*	*			trans	59	88.9	137.6	-62.5	-39.4	0	0	0	120.5
339	L	24.2	Very low	23.9	Very low	188 Å²	188	143.2 Å²	143.2	98%	0.984	78%	0.783	S	S	*	*			trans	-113.4	65.7	140.7	-76.9	169.7	0	0	0	109.3
340	S	23.3	Very low	24	Very low	92 Å²	92	143.1 Å²	143.1	64%	0.643	78%	0.78	S	S	*	*			trans	-110.8	74.6	170.9	59.9	0	0	0	0	110.2
341	S	24.9	Very low	24.1	Very low	107 Å²	107	141.6 Å²	141.6	75%	0.748	78%	0.781	S	S	*	*			trans	-166.3	58.6	162.1	57.5	0	0	0	0	112.9
342	L	24.5	Very low	24.3	Very low	174 Å²	174	137.9 Å²	137.9	91%	0.911	77%	0.766	S	S	*	*			trans	-137.3	61.6	153.5	-126.3	105.2	0	0	0	109.6	G344	L342-G344 PolarHBondContact O-N 2.93Å
343	N	22.8	Very low	24.3	Very low	179 Å²	179	137.8 Å²	137.8	96%	0.957	76%	0.756	S	S	*	*			trans	-79.7	103.7	161.2	-83.7	-18.2	0	0	0	107.7
344	G	22.7	Very low	24.4	Very low	58 Å²	58	139.5 Å²	139.5	60%	0.598	75%	0.748	S	S	*	*	S	Bend	trans	-168.7	71.5	174.7	0	0	0	0	0	110.2	L342 L346	L342-G344 PolarHBondContact O-N 2.93Å; G344-L346 PolarHBondContact O-N 2.82Å
345	E	23.9	Very low	24.6	Very low	195 Å²	195	139 Å²	139	91%	0.911	75%	0.746	S	S	*	*			trans	32.3	55.8	152.9	-64.2	-178	162.1	0	0	117.8
346	L	24	Very low	24.6	Very low	155 Å²	155	138 Å²	138	81%	0.812	74%	0.739	S	S	*	*			trans	-92.9	93.7	152.2	-83.9	161.2	0	0	0	106.4	G344 P348	G344-L346 PolarHBondContact O-N 2.82Å; L346-P348 WeakPolarHBondContact O-CD 3.2Å; L346-P348 VanDerWaalsContact O-CG 3.31Å; L346-P348 WeakPolarHBondContact O-CG 3.34Å
347	H	21.2	Very low	24.5	Very low	181 Å²	181	140.4 Å²	140.4	84%	0.838	74%	0.738	S	S	*	*			trans	-50.8	101.5	165.8	-94.4	-67.4	0	0	0	108.2	F349	H347-F349 PolarHBondContact O-N 3.24Å
348	P	26.2	Very low	24.6	Very low	105 Å²	105	139.2 Å²	139.2	68%	0.682	74%	0.738	S	S	*	*			trans	-74.4	130	-176	-6.7	24.9	0	0	0	106.4	L346 K350	L346-P348 WeakPolarHBondContact O-CD 3.2Å; L346-P348 VanDerWaalsContact O-CG 3.31Å; L346-P348 WeakPolarHBondContact O-CG 3.34Å; P348-K350 PolarHBondContact O-N 3.18Å
349	F	25	Very low	24.6	Very low	176 Å²	176	139.6 Å²	139.6	77%	0.772	75%	0.747	S	S	*	*	S	Bend	trans	-57.2	34.6	172.1	-111.2	-98.9	0	0	0	114	H347	H347-F349 PolarHBondContact O-N 3.24Å
350	K	27.1	Very low	24.6	Very low	176 Å²	176	135.3 Å²	135.3	77%	0.765	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-14.9	-175.9	-148.5	173.5	-174.5	178	0	113	P348	P348-K350 PolarHBondContact O-N 3.18Å
351	N	26.2	Very low	24.7	Very low	149 Å²	149	140.2 Å²	140.2	80%	0.797	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	-8.3	179.9	-70.7	3.5	0	0	0	114.2
352	S	26.6	Very low	24.7	Very low	68 Å²	68	142.2 Å²	142.2	48%	0.476	74%	0.743	S	S	.	*	S	Bend	trans	-89.6	-11.8	-179.7	-41.7	0	0	0	0	113.7
353	L	26	Very low	24.7	Very low	115 Å²	115	139.1 Å²	139.1	60%	0.602	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-91.2	4.2	-178.2	-100	128.5	0	0	0	114.1	F355 L356	L353-F355 PolarHBondContact O-N 3.32Å; L353-L356 HydrophobicContact CD2-CB 4.26Å; L353-L356 HydrophobicContact CD2-CD1 3.7Å; L353-L356 HydrophobicContact CG-CD1 4.49Å; L353-L356 PolarHBondContact O-N 3.35Å
354	E	25.1	Very low	24.7	Very low	130 Å²	130	136.8 Å²	136.8	61%	0.607	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-65.2	-19	172.2	-95.4	-163.5	143.7	0	0	113.4	L356 K357	E354-L356 PolarHBondContact O-N 3.17Å; E354-K357 PolarHBondContact O-N 3.36Å; E354-K357 IonicContact OE1-NZ 2.65Å; E354-K357 PolarHBondContact OE1-NZ 3.38Å
355	F	28.2	Very low	24.7	Very low	191 Å²	191	138.5 Å²	138.5	84%	0.838	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-68.3	-11.5	170.5	-69.9	-76.4	0	0	0	114.1	L353	L353-F355 PolarHBondContact O-N 3.32Å
356	L	22.8	Very low	24.8	Very low	115 Å²	115	139.6 Å²	139.6	60%	0.602	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-111.6	21.6	179.4	-69.1	172.1	0	0	0	113.1	L353 E354 P358	L353-L356 HydrophobicContact CD2-CB 4.26Å; L353-L356 HydrophobicContact CD2-CD1 3.7Å; L353-L356 HydrophobicContact CG-CD1 4.49Å; L353-L356 PolarHBondContact O-N 3.35Å; E354-L356 PolarHBondContact O-N 3.17Å; L356-P358 WeakPolarHBondContact O-CD 3.46Å
357	K	22.9	Very low	24.7	Very low	142 Å²	142	137.7 Å²	137.7	62%	0.617	71%	0.714	S	S	*	*	S	Bend	trans	-68.8	119.3	160.9	-86.1	175.2	-178.5	161.7	0	107.9	E354	E354-K357 PolarHBondContact O-N 3.36Å; E354-K357 IonicContact OE1-NZ 2.65Å; E354-K357 PolarHBondContact OE1-NZ 3.38Å
358	P	24.9	Very low	24.9	Very low	112 Å²	112	134.4 Å²	134.4	73%	0.727	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-58.6	131.6	-174.1	21.9	-31.3	0	0	0	109.4	L356 S360	L356-P358 WeakPolarHBondContact O-CD 3.46Å; P358-S360 PolarHBondContact O-N 3.43Å
359	P	24.1	Very low	25	Very low	124 Å²	124	135.2 Å²	135.2	81%	0.805	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-56.4	121	-176.8	21	-30.3	0	0	0	108.7	H361	P359-H361 VanDerWaalsContact C-N 3.33Å; P359-H361 PolarHBondContact O-N 2.85Å
360	S	24.6	Very low	25.1	Very low	98 Å²	98	135.6 Å²	135.6	69%	0.685	70%	0.698	S	S	*	*			trans	-59.2	86.7	-173.6	46.5	0	0	0	0	111.3	P358 Q362	P358-S360 PolarHBondContact O-N 3.43Å; S360-Q362 PolarHBondContact O-N 3.23Å
361	H	25.9	Very low	25	Very low	195 Å²	195	130.8 Å²	130.8	90%	0.903	69%	0.687	S	S	*	*			trans	29	43.4	166.5	-63.6	-68.7	0	0	0	115.4	P359 S363	P359-H361 VanDerWaalsContact C-N 3.33Å; P359-H361 PolarHBondContact O-N 2.85Å; H361-S363 PolarHBondContact O-N 2.94Å
362	Q	23.3	Very low	25.1	Very low	149 Å²	149	129.9 Å²	129.9	70%	0.696	69%	0.686	S	S	*	*			trans	-70.7	98.4	168.7	-82	-169.5	6	0	0	104.1	S360 L364	S360-Q362 PolarHBondContact O-N 3.23Å; Q362-L364 PolarHBondContact O-N 2.7Å
363	S	25	Very low	25.3	Very low	108 Å²	108	133.7 Å²	133.7	76%	0.755	69%	0.691	S	S	*	*			trans	-23.8	106.2	174.3	52.7	0	0	0	0	110	H361	H361-S363 PolarHBondContact O-N 2.94Å
364	L	24.2	Very low	25.5	Very low	131 Å²	131	131.8 Å²	131.8	69%	0.686	69%	0.685	S	S	*	*			trans	-40.7	128	169.6	-88.6	137.3	0	0	0	107	Q362 K366	Q362-L364 PolarHBondContact O-N 2.7Å; L364-K366 PolarHBondContact O-N 3.37Å
365	P	22.3	Very low	25.8	Very low	94 Å²	94	130.2 Å²	130.2	61%	0.61	69%	0.688	S	S	*	*			trans	-52.4	134.4	-175.5	21.2	-30.3	0	0	0	107.4	I367	P365-I367 HydrophobicContact CG-CD1 4.31Å; P365-I367 HydrophobicContact CG-CG1 4.27Å; P365-I367 WeakPolarHBondContact O-CG1 3.35Å; P365-I367 PolarHBondContact O-N 3.5Å
366	K	24.5	Very low	26.2	Very low	217 Å²	217	125 Å²	125	94%	0.943	67%	0.672	S	S	*	*			trans	-54.7	85.4	172.3	-86.7	179.2	170.4	-179.7	0	108.1	L364 I368	L364-K366 PolarHBondContact O-N 3.37Å; K366-I368 PolarHBondContact O-N 3.22Å; K366-I368 VanDerWaalsContact O-N 3.1Å
367	I	23.9	Very low	26.7	Very low	115 Å²	115	123.2 Å²	123.2	59%	0.59	66%	0.661	S	S	*	*			trans	-77.2	101.1	176.8	-73.1	165.3	0	0	0	104.7	P365	P365-I367 HydrophobicContact CG-CD1 4.31Å; P365-I367 HydrophobicContact CG-CG1 4.27Å; P365-I367 WeakPolarHBondContact O-CG1 3.35Å; P365-I367 PolarHBondContact O-N 3.5Å
368	I	24.3	Very low	27.5	Very low	112 Å²	112	122.7 Å²	122.7	57%	0.574	66%	0.655	S	S	*	*			trans	63.3	75.4	143.6	-46.6	171.3	0	0	0	113.3	K366	K366-I368 PolarHBondContact O-N 3.22Å; K366-I368 VanDerWaalsContact O-N 3.1Å
369	N	29.3	Very low	28.1	Very low	122 Å²	122	121.9 Å²	121.9	65%	0.652	64%	0.642	S	S	*	*			trans	-61.5	141	144.5	-136.2	-2.9	0	0	0	106.9
370	Y	25.7	Very low	28.8	Very low	184 Å²	184	120.1 Å²	120.1	72%	0.722	63%	0.626	S	S	*	*			trans	87.6	78.7	178.5	-45.6	-69	0	0	0	117.1
371	S	25.2	Very low	29.6	Very low	76 Å²	76	118.8 Å²	118.8	53%	0.531	61%	0.611	S	S	.	*	S	Bend		168.5	113.9	122.4	57.3	0	0	0	0	108.4	Y373	S371-Y373 PolarHBondContact O-N 2.88Å
372	T	27.8	Very low	30.4	Very low	129 Å²	129	111.7 Å²	111.7	79%	0.791	58%	0.579	S	S	*	*			trans	-0.5	91.7	161.5	12.2	0	0	0	0	114.9	T374	T372-T374 PolarHBondContact O-N 3.19Å; T372-T374 VanDerWaalsContact O-N 3.11Å
373	Y	30.5	Very low	31.3	Very low	148 Å²	148	110.1 Å²	110.1	58%	0.58	57%	0.569	S	S	*	*			trans	-68.7	108.4	165.7	-85.3	-85.4	0	0	0	107.4	S371 M377	S371-Y373 PolarHBondContact O-N 2.88Å; Y373-M377 HydrophobicContact CD1-CB 4.15Å; Y373-M377 HydrophobicContact CD1-CE 4.05Å; Y373-M377 HydrophobicContact CE1-CE 3.96Å
374	T	30.2	Very low	32	Very low	75 Å²	75	109.6 Å²	109.6	46%	0.46	56%	0.558	S	S	.	*			trans	-87.4	156	173.5	55.6	0	0	0	0	109.6	T372 V376 M377 W378	T372-T374 PolarHBondContact O-N 3.19Å; T372-T374 VanDerWaalsContact O-N 3.11Å; T374-V376 PolarHBondContact O-N 3.02Å; T374-M377 WeakPolarHBondContact O-CA 3.35Å; T374-M377 WeakPolarHBondContact O-CB 3.35Å; T374-M377 PolarHBondContact O-N 3.43Å; T374-W378 PolarHBondContact O-N 3.49Å
375	S	32.2	Very low	32.8	Very low	98 Å²	98	106.6 Å²	106.6	69%	0.685	54%	0.542	S	S	*	.	H	α-helix	trans	-54.1	-30.2	-179	82.2	0	0	0	0	112.8	W378 E379	S375-W378 PolarHBondContact O-N 3.02Å; S375-E379 WeakPolarHBondContact O-CB 3.43Å; S375-E379 PolarHBondContact O-N 3.29Å
376	V	35.8	Very low	33.9	Very low	80 Å²	80	105.1 Å²	105.1	49%	0.485	53%	0.529	S	S	.	.	H	α-helix	trans	-64.8	-39.9	175.1	-177.4	0	0	0	0	111.8	T374 N380	T374-V376 PolarHBondContact O-N 3.02Å; V376-N380 VanDerWaalsContact O-CB 3.28Å; V376-N380 WeakPolarHBondContact O-CB 3.31Å; V376-N380 PolarHBondContact O-N 3.09Å; V376-N380 PolarHBondContact O-ND2 3.31Å
377	M	34.1	Very low	34.8	Very low	79 Å²	79	101.4 Å²	101.4	39%	0.389	52%	0.515	S	S	.	.	H	α-helix	trans	-67.7	-36.6	175.4	-78.3	178.6	73.3	0	0	111.7	Y373 T374 L381	Y373-M377 HydrophobicContact CD1-CB 4.15Å; Y373-M377 HydrophobicContact CD1-CE 4.05Å; Y373-M377 HydrophobicContact CE1-CE 3.96Å; T374-M377 WeakPolarHBondContact O-CA 3.35Å; T374-M377 WeakPolarHBondContact O-CB 3.35Å; T374-M377 PolarHBondContact O-N 3.43Å; M377-L381 WeakPolarHBondContact O-CB 3.49Å; M377-L381 PolarHBondContact O-N 2.95Å
378	W	39.8	Very low	35.5	Very low	130 Å²	130	101.1 Å²	101.1	49%	0.492	51%	0.514	S	S	.	.	H	α-helix	trans	-67.3	-46.3	174.6	-177.1	-111.1	0	0	0	111.7	T374 S375 N380 L381 M382 W435	T374-W378 PolarHBondContact O-N 3.49Å; S375-W378 PolarHBondContact O-N 3.02Å; W378-N380 VanDerWaalsContact C-N 3.29Å; W378-N380 PolarHBondContact O-N 2.98Å; W378-L381 HydrophobicContact CE3-CD2 3.83Å; W378-L381 HydrophobicContact CZ3-CD2 3.64Å; W378-L381 WeakPolarHBondContact O-CB 3.45Å; W378-L381 PolarHBondContact O-N 3.15Å; W378-L381 VanDerWaalsContact O-N 3.16Å; W378-M382 HydrophobicContact CD2-CG 4.37Å; W378-M382 HydrophobicContact CH2-SD 4.37Å; W378-M382 HydrophobicContact CZ2-CG 4.22Å; W378-M382 HydrophobicContact CZ2-SD 3.86Å; W378-M382 WeakPolarHBondContact O-CG 3.49Å; W378-M382 PolarHBondContact O-N 2.98Å; W378-W435 HydrophobicContact CZ2-CH2 4.19Å
379	E	38.5	Very low	36.4	Very low	96 Å²	96	98.4 Å²	98.4	45%	0.449	50%	0.5	S	S	.	.	H	α-helix	trans	-58.8	-42.2	175.1	-167.3	-170.5	158	0	0	111.2	S375 M382 K383	S375-E379 WeakPolarHBondContact O-CB 3.43Å; S375-E379 PolarHBondContact O-N 3.29Å; E379-M382 PolarHBondContact O-N 3.36Å; E379-K383 WeakPolarHBondContact O-CB 3.11Å; E379-K383 WeakPolarHBondContact O-CG 3.45Å; E379-K383 PolarHBondContact O-N 2.88Å; E379-K383 WeakPolarHBondContact OE1-CE 3.22Å; E379-K383 IonicContact OE1-NZ 3.07Å; E379-K383 PolarHBondContact OE1-NZ 3.06Å
380	N	38.4	Very low	37.2	Very low	86 Å²	86	95.4 Å²	95.4	46%	0.46	48%	0.484	S	S	.	.	H	α-helix	trans	-67.4	-38.4	176.2	-72.9	-20.3	0	0	0	112.5	V376 W378 K383 L384	V376-N380 VanDerWaalsContact O-CB 3.28Å; V376-N380 WeakPolarHBondContact O-CB 3.31Å; V376-N380 PolarHBondContact O-N 3.09Å; V376-N380 PolarHBondContact O-ND2 3.31Å; W378-N380 VanDerWaalsContact C-N 3.29Å; W378-N380 PolarHBondContact O-N 2.98Å; N380-K383 PolarHBondContact O-N 3.42Å; N380-L384 VanDerWaalsContact O-CB 3.29Å; N380-L384 WeakPolarHBondContact O-CB 3.48Å; N380-L384 PolarHBondContact O-N 2.69Å
381	L	40	Very low	38.1	Very low	70 Å²	70	88.4 Å²	88.4	37%	0.366	47%	0.467	S	S	.	.	H	α-helix	trans	-62.1	-46.3	173.6	-175.9	72.5	0	0	0	110.4	M377 W378 L384 L385	M377-L381 WeakPolarHBondContact O-CB 3.49Å; M377-L381 PolarHBondContact O-N 2.95Å; W378-L381 HydrophobicContact CE3-CD2 3.83Å; W378-L381 HydrophobicContact CZ3-CD2 3.64Å; W378-L381 WeakPolarHBondContact O-CB 3.45Å; W378-L381 PolarHBondContact O-N 3.15Å; W378-L381 VanDerWaalsContact O-N 3.16Å; L381-L384 PolarHBondContact O-N 3.02Å; L381-L385 WeakPolarHBondContact O-CB 3.4Å; L381-L385 PolarHBondContact O-N 3.13Å
382	M	42.9	Very low	38.8	Very low	47 Å²	47	88.1 Å²	88.1	23%	0.232	46%	0.457	C	S	.	.	H	α-helix	trans	-64.6	-40.9	178	-69.7	-59.3	-70.4	0	0	112	W378 E379 L385 N386 W435	W378-M382 HydrophobicContact CD2-CG 4.37Å; W378-M382 HydrophobicContact CH2-SD 4.37Å; W378-M382 HydrophobicContact CZ2-CG 4.22Å; W378-M382 HydrophobicContact CZ2-SD 3.86Å; W378-M382 WeakPolarHBondContact O-CG 3.49Å; W378-M382 PolarHBondContact O-N 2.98Å; E379-M382 PolarHBondContact O-N 3.36Å; M382-L385 PolarHBondContact O-N 2.95Å; M382-N386 WeakPolarHBondContact O-CB 3.46Å; M382-N386 PolarHBondContact O-N 3.25Å; M382-N386 PolarHBondContact O-ND2 3.23Å; M382-W435 HydrophobicContact CE-CZ2 4.47Å
383	K	43.6	Very low	39.6	Very low	115 Å²	115	86.2 Å²	86.2	50%	0.5	44%	0.436	S	S	.	.	H	α-helix	trans	-60.3	-45.2	172.1	-77.7	174.9	-176	166.4	0	111.6	E379 N380 H387	E379-K383 WeakPolarHBondContact O-CB 3.11Å; E379-K383 WeakPolarHBondContact O-CG 3.45Å; E379-K383 PolarHBondContact O-N 2.88Å; E379-K383 WeakPolarHBondContact OE1-CE 3.22Å; E379-K383 IonicContact OE1-NZ 3.07Å; E379-K383 PolarHBondContact OE1-NZ 3.06Å; N380-K383 PolarHBondContact O-N 3.42Å; K383-H387 VanDerWaalsContact O-CB 3.27Å; K383-H387 WeakPolarHBondContact O-CB 3.46Å; K383-H387 PolarHBondContact O-N 3.16Å
384	L	39.8	Very low	40.5	Very low	98 Å²	98	84.9 Å²	84.9	51%	0.513	44%	0.438	S	S	.	.	H	α-helix	trans	-63.8	-44.4	178	-177.1	68.7	0	0	0	111.3	N380 L381 H387 L388	N380-L384 VanDerWaalsContact O-CB 3.29Å; N380-L384 WeakPolarHBondContact O-CB 3.48Å; N380-L384 PolarHBondContact O-N 2.69Å; L381-L384 PolarHBondContact O-N 3.02Å; L384-H387 PolarHBondContact O-N 3.47Å; L384-L388 HydrophobicContact CD1-CD1 4.46Å; L384-L388 HydrophobicContact CG-CD1 4.06Å; L384-L388 WeakPolarHBondContact O-CB 3.37Å; L384-L388 VanDerWaalsContact O-CG 3.31Å; L384-L388 WeakPolarHBondContact O-CG 3.41Å; L384-L388 PolarHBondContact O-N 2.87Å
385	L	41.1	Very low	41.4	Very low	67 Å²	67	86.8 Å²	86.8	35%	0.351	44%	0.44	S	S	.	.	H	α-helix	trans	-64.7	-46.3	180	-140.6	114.9	0	0	0	111	L381 M382 H387 L388 I389 L431	L381-L385 WeakPolarHBondContact O-CB 3.4Å; L381-L385 PolarHBondContact O-N 3.13Å; M382-L385 PolarHBondContact O-N 2.95Å; L385-H387 VanDerWaalsContact C-N 3.31Å; L385-H387 PolarHBondContact O-N 3.21Å; L385-L388 PolarHBondContact O-N 3.46Å; L385-I389 HydrophobicContact CD2-CD1 3.92Å; L385-I389 VanDerWaalsContact O-CG1 3.29Å; L385-I389 WeakPolarHBondContact O-CG1 3.22Å; L385-I389 PolarHBondContact O-N 3.09Å; L385-L431 HydrophobicContact CD2-CD1 4.36Å
386	N	44.4	Very low	41.9	Very low	63 Å²	63	87.7 Å²	87.7	34%	0.337	43%	0.429	S	S	.	.	H	α-helix	trans	-60.1	-41.5	174.1	-78.4	-19.5	0	0	0	111.6	M382 N390	M382-N386 WeakPolarHBondContact O-CB 3.46Å; M382-N386 PolarHBondContact O-N 3.25Å; M382-N386 PolarHBondContact O-ND2 3.23Å; N386-N390 VanDerWaalsContact O-CB 3.3Å; N386-N390 WeakPolarHBondContact O-CB 3.5Å; N386-N390 VanDerWaalsContact O-CG 3.24Å; N386-N390 PolarHBondContact O-N 3.32Å; N386-N390 PolarHBondContact O-ND2 3.37Å
387	H	43.4	Very low	42.3	Very low	140 Å²	140	88.4 Å²	88.4	65%	0.648	43%	0.426	S	S	*	.	H	α-helix	trans	-65.9	-42.6	177.8	-169.9	71.7	0	0	0	112.2	K383 L384 L385 N390 G391	K383-H387 VanDerWaalsContact O-CB 3.27Å; K383-H387 WeakPolarHBondContact O-CB 3.46Å; K383-H387 PolarHBondContact O-N 3.16Å; L384-H387 PolarHBondContact O-N 3.47Å; L385-H387 VanDerWaalsContact C-N 3.31Å; L385-H387 PolarHBondContact O-N 3.21Å; H387-N390 PolarHBondContact O-N 3.35Å; H387-G391 PolarHBondContact O-N 2.85Å
388	L	39.6	Very low	43.1	Very low	108 Å²	108	91.6 Å²	91.6	57%	0.565	44%	0.438	S	S	*	.	H	α-helix	trans	-63.8	-45.8	176.8	-74	169.2	0	0	0	111.8	L384 L385 N390 G391 E392	L384-L388 HydrophobicContact CD1-CD1 4.46Å; L384-L388 HydrophobicContact CG-CD1 4.06Å; L384-L388 WeakPolarHBondContact O-CB 3.37Å; L384-L388 VanDerWaalsContact O-CG 3.31Å; L384-L388 WeakPolarHBondContact O-CG 3.41Å; L384-L388 PolarHBondContact O-N 2.87Å; L385-L388 PolarHBondContact O-N 3.46Å; L388-N390 PolarHBondContact O-N 3.17Å; L388-G391 PolarHBondContact O-N 3.4Å; L388-E392 WeakPolarHBondContact O-CB 3.44Å; L388-E392 PolarHBondContact O-N 3.39Å
389	I	42.7	Very low	43.5	Very low	56 Å²	56	89.2 Å²	89.2	29%	0.287	43%	0.433	S	S	.	.	H	α-helix	trans	-61	-45.7	177	-69.1	167.9	0	0	0	110.6	L385 E392 R393	L385-I389 HydrophobicContact CD2-CD1 3.92Å; L385-I389 VanDerWaalsContact O-CG1 3.29Å; L385-I389 WeakPolarHBondContact O-CG1 3.22Å; L385-I389 PolarHBondContact O-N 3.09Å; I389-E392 PolarHBondContact O-N 3.37Å; I389-R393 WeakPolarHBondContact O-CB 3.32Å; I389-R393 WeakPolarHBondContact O-CG 3.47Å; I389-R393 PolarHBondContact O-N 3.29Å
390	N	46.6	Very low	43.7	Very low	59 Å²	59	86.3 Å²	86.3	32%	0.316	42%	0.42	S	S	.	.	H	α-helix	trans	-67.2	-38.8	178.7	-73.9	-24.4	0	0	0	112	N386 H387 L388 R393 L394	N386-N390 VanDerWaalsContact O-CB 3.3Å; N386-N390 WeakPolarHBondContact O-CB 3.5Å; N386-N390 VanDerWaalsContact O-CG 3.24Å; N386-N390 PolarHBondContact O-N 3.32Å; N386-N390 PolarHBondContact O-ND2 3.37Å; H387-N390 PolarHBondContact O-N 3.35Å; L388-N390 PolarHBondContact O-N 3.17Å; N390-R393 PolarHBondContact O-N 2.99Å; N390-L394 WeakPolarHBondContact O-CB 3.23Å; N390-L394 PolarHBondContact O-N 3.21Å
391	G	43.8	Very low	44.1	Very low	36 Å²	36	86.8 Å²	86.8	37%	0.371	42%	0.422	S	S	.	.	H	α-helix	trans	-63.3	-43.1	175.1	0	0	0	0	0	112.5	H387 L388 L394 F395	H387-G391 PolarHBondContact O-N 2.85Å; L388-G391 PolarHBondContact O-N 3.4Å; G391-L394 PolarHBondContact O-N 3.37Å; G391-F395 WeakPolarHBondContact O-CB 3.44Å; G391-F395 PolarHBondContact O-N 3.4Å
392	E	38.8	Very low	44.6	Very low	70 Å²	70	87.3 Å²	87.3	33%	0.327	43%	0.425	S	S	.	.	H	α-helix	trans	-65.4	-41.7	176	-163.8	-173.7	159.9	0	0	111.5	L388 I389 F395 W396 Y427	L388-E392 WeakPolarHBondContact O-CB 3.44Å; L388-E392 PolarHBondContact O-N 3.39Å; I389-E392 PolarHBondContact O-N 3.37Å; E392-F395 WeakPolarHBondContact O-CB 3.49Å; E392-F395 PolarHBondContact O-N 3.26Å; E392-W396 PolarHBondContact O-N 3.15Å; E392-W396 PolarHBondContact OE1-NE1 3.42Å; E392-Y427 VanDerWaalsContact CD-OH 3.22Å; E392-Y427 PolarHBondContact OE1-OH 3.15Å; E392-Y427 PolarHBondContact OE2-OH 3.47Å
393	R	45.2	Very low	44.6	Very low	89 Å²	89	91 Å²	91	34%	0.336	44%	0.44	S	S	.	.	H	α-helix	trans	-58.9	-47.6	172.8	-81	179.7	161.7	-174.5	-3.3	112.2	I389 N390 F395 W396 H397 N424	I389-R393 WeakPolarHBondContact O-CB 3.32Å; I389-R393 WeakPolarHBondContact O-CG 3.47Å; I389-R393 PolarHBondContact O-N 3.29Å; N390-R393 PolarHBondContact O-N 2.99Å; R393-F395 VanDerWaalsContact C-N 3.31Å; R393-F395 PolarHBondContact O-N 3.21Å; R393-W396 PolarHBondContact O-N 3.25Å; R393-H397 WeakPolarHBondContact O-CB 3.36Å; R393-H397 PolarHBondContact O-N 3.35Å; R393-N424 PolarHBondContact NE-OD1 3.22Å; R393-N424 PolarHBondContact NH2-OD1 3.28Å
394	L	49	Very low	44.5	Very low	120 Å²	120	90.9 Å²	90.9	63%	0.628	45%	0.445	S	S	*	.	H	α-helix	trans	-60.4	-40.8	176.2	-98.5	143.9	0	0	0	111.9	N390 G391 H397 K398	N390-L394 WeakPolarHBondContact O-CB 3.23Å; N390-L394 PolarHBondContact O-N 3.21Å; G391-L394 PolarHBondContact O-N 3.37Å; L394-H397 PolarHBondContact O-N 3.47Å; L394-K398 WeakPolarHBondContact O-CB 3.28Å; L394-K398 PolarHBondContact O-N 3.49Å
395	F	50.5	Low	45	Very low	116 Å²	116	91.6 Å²	91.6	51%	0.509	45%	0.453	S	S	.	.	H	α-helix	trans	-59.7	-52.2	175.2	172.2	-96.2	0	0	0	111.4	G391 E392 R393 H397 K398 E399	G391-F395 WeakPolarHBondContact O-CB 3.44Å; G391-F395 PolarHBondContact O-N 3.4Å; E392-F395 WeakPolarHBondContact O-CB 3.49Å; E392-F395 PolarHBondContact O-N 3.26Å; R393-F395 VanDerWaalsContact C-N 3.31Å; R393-F395 PolarHBondContact O-N 3.21Å; F395-H397 VanDerWaalsContact C-N 3.31Å; F395-H397 PolarHBondContact O-N 3.34Å; F395-K398 PolarHBondContact O-N 3.41Å; F395-E399 HydrophobicContact CE1-CG 4.2Å; F395-E399 HydrophobicContact CE2-CG 4.24Å; F395-E399 HydrophobicContact CZ-CG 3.89Å; F395-E399 PolarHBondContact O-N 3.44Å
396	W	41.5	Very low	45.2	Very low	116 Å²	116	92.1 Å²	92.1	44%	0.439	46%	0.463	S	S	.	.	H	α-helix	trans	-63.1	-38.1	178.3	-73.1	117.4	0	0	0	112	E392 R393 K398 E399 L400	E392-W396 PolarHBondContact O-N 3.15Å; E392-W396 PolarHBondContact OE1-NE1 3.42Å; R393-W396 PolarHBondContact O-N 3.25Å; W396-K398 PolarHBondContact O-N 3.32Å; W396-E399 PolarHBondContact O-N 3.45Å; W396-L400 VanDerWaalsContact O-CB 3.32Å; W396-L400 WeakPolarHBondContact O-CB 3.49Å; W396-L400 WeakPolarHBondContact O-CD1 3.16Å; W396-L400 WeakPolarHBondContact O-CG 3.45Å; W396-L400 PolarHBondContact O-N 3.18Å
397	H	45.4	Very low	45	Very low	95 Å²	95	93.3 Å²	93.3	44%	0.44	47%	0.469	S	S	.	.	H	α-helix	trans	-64.8	-39	176.5	-154	-77.8	0	0	0	112.3	R393 L394 F395 L400 L401	R393-H397 WeakPolarHBondContact O-CB 3.36Å; R393-H397 PolarHBondContact O-N 3.35Å; L394-H397 PolarHBondContact O-N 3.47Å; F395-H397 VanDerWaalsContact C-N 3.31Å; F395-H397 PolarHBondContact O-N 3.34Å; H397-L400 PolarHBondContact O-N 2.88Å; H397-L401 VanDerWaalsContact ND1-CD1 3.34Å; H397-L401 WeakPolarHBondContact ND1-CD1 3.33Å; H397-L401 PolarHBondContact O-N 2.9Å
398	K	51.2	Low	44.8	Very low	146 Å²	146	95 Å²	95	64%	0.635	48%	0.483	S	S	*	.	H	α-helix	trans	-69.6	-43.4	176.6	-169.2	176.7	-177.7	177.4	0	112.1	L394 F395 W396 L400 L401 N402	L394-K398 WeakPolarHBondContact O-CB 3.28Å; L394-K398 PolarHBondContact O-N 3.49Å; F395-K398 PolarHBondContact O-N 3.41Å; W396-K398 PolarHBondContact O-N 3.32Å; K398-L400 VanDerWaalsContact C-N 3.28Å; K398-L400 PolarHBondContact O-N 3.39Å; K398-L401 PolarHBondContact O-N 2.9Å; K398-N402 WeakPolarHBondContact O-CB 3.4Å; K398-N402 VanDerWaalsContact O-CG 3.24Å; K398-N402 PolarHBondContact O-N 3.49Å
399	E	46.7	Very low	44.9	Very low	81 Å²	81	93.2 Å²	93.2	38%	0.379	48%	0.479	S	S	.	.	H	α-helix	trans	-59.5	-39.6	172.7	-91.1	-65.8	136.4	0	0	111.8	F395 W396 N402 K403	F395-E399 HydrophobicContact CE1-CG 4.2Å; F395-E399 HydrophobicContact CE2-CG 4.24Å; F395-E399 HydrophobicContact CZ-CG 3.89Å; F395-E399 PolarHBondContact O-N 3.44Å; W396-E399 PolarHBondContact O-N 3.45Å; E399-N402 PolarHBondContact O-N 3.29Å; E399-K403 PolarHBondContact O-N 3.49Å
400	L	42.4	Very low	44.8	Very low	34 Å²	34	100.4 Å²	100.4	18%	0.178	51%	0.512	C	S	.	.	H	α-helix	trans	-66.2	-44.1	176.3	-75.5	168.2	0	0	0	112.7	W396 H397 K398 N402 K403 N404 I416 L420	W396-L400 VanDerWaalsContact O-CB 3.32Å; W396-L400 WeakPolarHBondContact O-CB 3.49Å; W396-L400 WeakPolarHBondContact O-CD1 3.16Å; W396-L400 WeakPolarHBondContact O-CG 3.45Å; W396-L400 PolarHBondContact O-N 3.18Å; H397-L400 PolarHBondContact O-N 2.88Å; K398-L400 VanDerWaalsContact C-N 3.28Å; K398-L400 PolarHBondContact O-N 3.39Å; L400-N402 VanDerWaalsContact C-N 3.35Å; L400-K403 PolarHBondContact O-N 2.94Å; L400-N404 PolarHBondContact O-N 2.88Å; L400-I416 HydrophobicContact CD1-CG2 3.79Å; L400-I416 HydrophobicContact CD2-CB 4.38Å; L400-I416 HydrophobicContact CD2-CD1 4.11Å; L400-I416 HydrophobicContact CD2-CG1 3.9Å; L400-I416 HydrophobicContact CD2-CG2 3.57Å; L400-I416 HydrophobicContact CG-CG2 4.24Å; L400-L420 HydrophobicContact CD1-CD1 3.63Å; L400-L420 HydrophobicContact CD1-CG 4.37Å
401	L	48.4	Very low	44.4	Very low	97 Å²	97	104 Å²	104	51%	0.508	53%	0.53	S	S	.	.	H	α-helix	trans	-61	-44.5	173.9	-104.6	120.2	0	0	0	111.5	H397 K398 K403 N404 T405	H397-L401 VanDerWaalsContact ND1-CD1 3.34Å; H397-L401 WeakPolarHBondContact ND1-CD1 3.33Å; H397-L401 PolarHBondContact O-N 2.9Å; K398-L401 PolarHBondContact O-N 2.9Å; L401-K403 PolarHBondContact O-N 2.81Å; L401-N404 PolarHBondContact O-N 3.36Å; L401-T405 PolarHBondContact O-N 3.18Å; L401-T405 PolarHBondContact O-OG1 3.43Å
402	N	49.2	Very low	44.1	Very low	81 Å²	81	110.5 Å²	110.5	43%	0.433	55%	0.55	S	S	.	*	H	α-helix	trans	-61.5	-42.6	178.8	-73	-12.3	0	0	0	111.9	K398 E399 L400 T405 S406	K398-N402 WeakPolarHBondContact O-CB 3.4Å; K398-N402 VanDerWaalsContact O-CG 3.24Å; K398-N402 PolarHBondContact O-N 3.49Å; E399-N402 PolarHBondContact O-N 3.29Å; L400-N402 VanDerWaalsContact C-N 3.35Å; N402-T405 WeakPolarHBondContact CA-OG1 3.29Å; N402-T405 PolarHBondContact O-N 3.19Å; N402-T405 PolarHBondContact O-OG1 2.87Å; N402-S406 PolarHBondContact O-N 2.72Å; N402-S406 VanDerWaalsContact O-N 3.11Å; N402-S406 PolarHBondContact O-OG 2.86Å
403	K	42.5	Very low	44	Very low	125 Å²	125	114 Å²	114	54%	0.543	58%	0.576	S	S	.	*	H	α-helix	trans	-65.4	-40	175.7	-96.9	-175.3	175.7	179.7	0	113.2	E399 L400 L401 T405 S406 N407	E399-K403 PolarHBondContact O-N 3.49Å; L400-K403 PolarHBondContact O-N 2.94Å; L401-K403 PolarHBondContact O-N 2.81Å; K403-T405 VanDerWaalsContact C-N 3.29Å; K403-T405 PolarHBondContact O-N 3.47Å; K403-S406 PolarHBondContact O-N 2.83Å; K403-S406 PolarHBondContact O-OG 3.18Å; K403-N407 PolarHBondContact O-N 2.64Å
404	N	42.9	Very low	43.7	Very low	111 Å²	111	115.3 Å²	115.3	59%	0.594	59%	0.589	S	S	*	*	H	α-helix	trans	-66.7	-33	176.5	-78.3	-11.9	0	0	0	111.8	L400 L401	L400-N404 PolarHBondContact O-N 2.88Å; L401-N404 PolarHBondContact O-N 3.36Å
405	T	48.9	Very low	43.7	Very low	113 Å²	113	114.5 Å²	114.5	69%	0.693	59%	0.585	S	S	*	*	H	α-helix	trans	-73.7	-25.5	174	51.3	0	0	0	0	113.8	L401 N402 K403	L401-T405 PolarHBondContact O-N 3.18Å; L401-T405 PolarHBondContact O-OG1 3.43Å; N402-T405 WeakPolarHBondContact CA-OG1 3.29Å; N402-T405 PolarHBondContact O-N 3.19Å; N402-T405 PolarHBondContact O-OG1 2.87Å; K403-T405 VanDerWaalsContact C-N 3.29Å; K403-T405 PolarHBondContact O-N 3.47Å
406	S	46.9	Very low	43	Very low	79 Å²	79	111.4 Å²	111.4	55%	0.552	57%	0.574	S	S	*	*	H	α-helix	trans	-90.1	-20.6	-174.4	70.4	0	0	0	0	114.8	N402 K403	N402-S406 PolarHBondContact O-N 2.72Å; N402-S406 VanDerWaalsContact O-N 3.11Å; N402-S406 PolarHBondContact O-OG 2.86Å; K403-S406 PolarHBondContact O-N 2.83Å; K403-S406 PolarHBondContact O-OG 3.18Å
407	N	38.5	Very low	43.2	Very low	88 Å²	88	113.7 Å²	113.7	47%	0.471	59%	0.587	S	S	.	*			trans	-115.1	80.3	-166.9	-70	2.9	0	0	0	113.4	K403 S409	K403-N407 PolarHBondContact O-N 2.64Å; N407-S409 PolarHBondContact O-N 3.47Å
408	N	41	Very low	43.3	Very low	174 Å²	174	111.7 Å²	111.7	93%	0.93	58%	0.584	S	S	*	*			trans	-78.8	30	160.9	-90.3	-17.1	0	0	0	112.9
409	S	40.4	Very low	42.7	Very low	71 Å²	71	109.1 Å²	109.1	50%	0.497	58%	0.576	S	S	.	*	S	Bend	trans	-138.2	104.9	-177.4	60.5	0	0	0	0	111.6	N407 I411	N407-S409 PolarHBondContact O-N 3.47Å; S409-I411 WeakPolarHBondContact O-CG1 3.42Å; S409-I411 PolarHBondContact O-N 3.28Å
410	E	41.5	Very low	42.4	Very low	207 Å²	207	107.8 Å²	107.8	97%	0.967	57%	0.571	S	S	*	*			trans	20.6	22.8	151.1	-72.7	-174.4	159.7	0	0	122.3
411	I	37.8	Very low	42.8	Very low	135 Å²	135	111.2 Å²	111.2	69%	0.692	59%	0.59	S	S	*	*			trans	-97.9	120.8	179.8	-61.7	168.5	0	0	0	108.8	S409 T413	S409-I411 WeakPolarHBondContact O-CG1 3.42Å; S409-I411 PolarHBondContact O-N 3.28Å; I411-T413 PolarHBondContact O-N 2.74Å
412	E	37.6	Very low	42.7	Very low	173 Å²	173	110.9 Å²	110.9	81%	0.808	59%	0.588	S	S	*	*			trans	-5.1	113.1	173.3	-75.7	175.8	151.6	0	0	114	I414	E412-I414 PolarHBondContact O-N 3.32Å
413	T	36.9	Very low	42.1	Very low	142 Å²	142	109.7 Å²	109.7	87%	0.871	58%	0.582	S	S	*	*			trans	-58.7	81	170.8	40.6	0	0	0	0	109.6	I411 D415	I411-T413 PolarHBondContact O-N 2.74Å; T413-D415 PolarHBondContact O-N 3.36Å
414	I	39.4	Very low	42.2	Very low	117 Å²	117	106 Å²	106	60%	0.6	57%	0.568	S	S	*	*			trans	-53.3	115.5	161.9	-63.5	172.5	0	0	0	104.2	E412 I416	E412-I414 PolarHBondContact O-N 3.32Å; I414-I416 WeakPolarHBondContact O-CG1 3.49Å; I414-I416 PolarHBondContact O-N 3.46Å
415	D	47.1	Very low	42.5	Very low	103 Å²	103	109 Å²	109	55%	0.551	57%	0.571	S	S	*	*			trans	-68.8	87	177.7	-176.7	5.3	0	0	0	108.1	T413 K417 S418 L419	T413-D415 PolarHBondContact O-N 3.36Å; D415-K417 PolarHBondContact O-N 3.49Å; D415-K417 VanDerWaalsContact O-N 3.13Å; D415-K417 PolarHBondContact OD1-N 3.44Å; D415-S418 WeakPolarHBondContact O-CA 3.13Å; D415-S418 VanDerWaalsContact O-CB 3.26Å; D415-S418 WeakPolarHBondContact O-CB 3.24Å; D415-S418 PolarHBondContact O-N 3.45Å; D415-L419 PolarHBondContact O-N 2.97Å
416	I	36.1	Very low	41.9	Very low	52 Å²	52	108.7 Å²	108.7	27%	0.267	56%	0.56	S	S	.	*	H	α-helix	trans	-55.7	-30.1	-176	-73.8	157.7	0	0	0	110.8	L400 I414 L419 L420	L400-I416 HydrophobicContact CD1-CG2 3.79Å; L400-I416 HydrophobicContact CD2-CB 4.38Å; L400-I416 HydrophobicContact CD2-CD1 4.11Å; L400-I416 HydrophobicContact CD2-CG1 3.9Å; L400-I416 HydrophobicContact CD2-CG2 3.57Å; L400-I416 HydrophobicContact CG-CG2 4.24Å; I414-I416 WeakPolarHBondContact O-CG1 3.49Å; I414-I416 PolarHBondContact O-N 3.46Å; I416-L419 PolarHBondContact O-N 2.93Å; I416-L420 HydrophobicContact CG2-CD1 4.05Å; I416-L420 PolarHBondContact O-N 2.6Å; I416-L420 VanDerWaalsContact O-N 3.1Å
417	K	46.1	Very low	41.5	Very low	163 Å²	163	109.4 Å²	109.4	71%	0.709	55%	0.551	S	S	*	*	H	α-helix	trans	-66.3	-39.7	174.1	-78.3	-175.1	175.1	-178	0	111.6	D415 N421	D415-K417 PolarHBondContact O-N 3.49Å; D415-K417 VanDerWaalsContact O-N 3.13Å; D415-K417 PolarHBondContact OD1-N 3.44Å; K417-N421 WeakPolarHBondContact O-CB 3.24Å; K417-N421 VanDerWaalsContact O-CG 3.27Å; K417-N421 PolarHBondContact O-N 3.22Å; K417-N421 PolarHBondContact O-ND2 3.11Å
418	S	47.1	Very low	41.7	Very low	54 Å²	54	106.7 Å²	106.7	38%	0.378	54%	0.54	S	S	.	.	H	α-helix	trans	-62.8	-45.7	175.8	-167.4	0	0	0	0	111.2	D415 L420 N421 D422	D415-S418 WeakPolarHBondContact O-CA 3.13Å; D415-S418 VanDerWaalsContact O-CB 3.26Å; D415-S418 WeakPolarHBondContact O-CB 3.24Å; D415-S418 PolarHBondContact O-N 3.45Å; S418-L420 PolarHBondContact O-N 2.89Å; S418-N421 WeakPolarHBondContact O-CB 3.11Å; S418-N421 PolarHBondContact O-N 3.08Å; S418-D422 VanDerWaalsContact O-CG 3.32Å; S418-D422 PolarHBondContact O-N 3.43Å
419	L	39.2	Very low	41.7	Very low	91 Å²	91	102.1 Å²	102.1	48%	0.476	51%	0.512	S	S	.	.	H	α-helix	trans	-64.2	-42.5	-179.1	-172.1	69.8	0	0	0	112.4	D415 I416 N421 D422 I423	D415-L419 PolarHBondContact O-N 2.97Å; I416-L419 PolarHBondContact O-N 2.93Å; L419-N421 VanDerWaalsContact C-N 3.33Å; L419-D422 PolarHBondContact O-N 2.93Å; L419-I423 HydrophobicContact CG-CD1 4.16Å; L419-I423 VanDerWaalsContact O-CG1 3.31Å; L419-I423 WeakPolarHBondContact O-CG1 3.44Å; L419-I423 PolarHBondContact O-N 3.47Å
420	L	41.5	Very low	41.5	Very low	54 Å²	54	103.9 Å²	103.9	28%	0.283	51%	0.513	S	S	.	.	H	α-helix	trans	-62.9	-39.5	174.2	-96.4	147.4	0	0	0	111.9	L400 I416 S418 N424	L400-L420 HydrophobicContact CD1-CD1 3.63Å; L400-L420 HydrophobicContact CD1-CG 4.37Å; I416-L420 HydrophobicContact CG2-CD1 4.05Å; I416-L420 PolarHBondContact O-N 2.6Å; I416-L420 VanDerWaalsContact O-N 3.1Å; S418-L420 PolarHBondContact O-N 2.89Å; L420-N424 VanDerWaalsContact O-CB 3.29Å; L420-N424 WeakPolarHBondContact O-CB 3.42Å; L420-N424 PolarHBondContact O-N 3.39Å; L420-N424 PolarHBondContact O-ND2 2.93Å
421	N	49.5	Very low	41.5	Very low	106 Å²	106	96.7 Å²	96.7	57%	0.567	48%	0.481	S	S	*	.	H	α-helix	trans	-65.5	-40.9	174.8	-77.7	-16.3	0	0	0	111.9	K417 S418 L419 N424 R425	K417-N421 WeakPolarHBondContact O-CB 3.24Å; K417-N421 VanDerWaalsContact O-CG 3.27Å; K417-N421 PolarHBondContact O-N 3.22Å; K417-N421 PolarHBondContact O-ND2 3.11Å; S418-N421 WeakPolarHBondContact O-CB 3.11Å; S418-N421 PolarHBondContact O-N 3.08Å; L419-N421 VanDerWaalsContact C-N 3.33Å; N421-N424 PolarHBondContact O-N 3.39Å; N421-R425 VanDerWaalsContact O-CB 3.23Å; N421-R425 WeakPolarHBondContact O-CB 3.49Å; N421-R425 PolarHBondContact O-N 3.11Å
422	D	46.1	Very low	41.8	Very low	89 Å²	89	94.7 Å²	94.7	48%	0.476	47%	0.465	S	S	.	.	H	α-helix	trans	-65.3	-42.3	177.5	-71	-28.1	0	0	0	111.8	S418 L419 R425 F426	S418-D422 VanDerWaalsContact O-CG 3.32Å; S418-D422 PolarHBondContact O-N 3.43Å; L419-D422 PolarHBondContact O-N 2.93Å; D422-R425 PolarHBondContact O-N 3.37Å; D422-F426 WeakPolarHBondContact O-CB 3.26Å; D422-F426 PolarHBondContact O-N 3.3Å
423	I	37.6	Very low	41.9	Very low	56 Å²	56	90.8 Å²	90.8	29%	0.287	45%	0.448	S	S	.	.	H	α-helix	trans	-64.4	-45.8	175.2	-69.1	168.9	0	0	0	110.6	L419 R425 F426 Y427	L419-I423 HydrophobicContact CG-CD1 4.16Å; L419-I423 VanDerWaalsContact O-CG1 3.31Å; L419-I423 WeakPolarHBondContact O-CG1 3.44Å; L419-I423 PolarHBondContact O-N 3.47Å; I423-R425 VanDerWaalsContact C-N 3.28Å; I423-R425 PolarHBondContact O-N 3.33Å; I423-F426 PolarHBondContact O-N 3.37Å; I423-Y427 HydrophobicContact CG2-CD2 3.54Å; I423-Y427 HydrophobicContact CG2-CE2 3.51Å; I423-Y427 VanDerWaalsContact O-CD2 3.28Å; I423-Y427 WeakPolarHBondContact O-CD2 3.08Å; I423-Y427 PolarHBondContact O-N 3.42Å
424	N	44.3	Very low	42.1	Very low	48 Å²	48	88.8 Å²	88.8	26%	0.257	43%	0.432	S	S	.	.	H	α-helix	trans	-60.9	-38.6	175.4	-77.7	-30.7	0	0	0	111.9	R393 L420 N421 S428	R393-N424 PolarHBondContact NE-OD1 3.22Å; R393-N424 PolarHBondContact NH2-OD1 3.28Å; L420-N424 VanDerWaalsContact O-CB 3.29Å; L420-N424 WeakPolarHBondContact O-CB 3.42Å; L420-N424 PolarHBondContact O-N 3.39Å; L420-N424 PolarHBondContact O-ND2 2.93Å; N421-N424 PolarHBondContact O-N 3.39Å; N424-S428 VanDerWaalsContact O-CB 3.31Å; N424-S428 WeakPolarHBondContact O-CB 3.29Å; N424-S428 PolarHBondContact O-N 3.24Å; N424-S428 PolarHBondContact O-OG 3.12Å
425	R	48.3	Very low	42.2	Very low	174 Å²	174	87.5 Å²	87.5	66%	0.657	42%	0.42	S	S	*	.	H	α-helix	trans	-68.3	-40.1	176.7	-166.6	177.3	-177.2	-171.7	2.7	111.8	N421 D422 I423 S428 E429	N421-R425 VanDerWaalsContact O-CB 3.23Å; N421-R425 WeakPolarHBondContact O-CB 3.49Å; N421-R425 PolarHBondContact O-N 3.11Å; D422-R425 PolarHBondContact O-N 3.37Å; I423-R425 VanDerWaalsContact C-N 3.28Å; I423-R425 PolarHBondContact O-N 3.33Å; R425-S428 VanDerWaalsContact CA-OG 3.31Å; R425-S428 WeakPolarHBondContact CA-OG 3.41Å; R425-S428 PolarHBondContact O-OG 3.23Å; R425-E429 WeakPolarHBondContact O-CB 3.07Å; R425-E429 WeakPolarHBondContact O-CG 3.42Å; R425-E429 PolarHBondContact O-N 2.73Å
426	F	37.4	Very low	41.9	Very low	106 Å²	106	86.5 Å²	86.5	47%	0.465	41%	0.411	S	S	.	.	H	α-helix	trans	-64.5	-49.4	176.5	-175.4	-93.8	0	0	0	111.7	D422 I423 S428 E429 E430	D422-F426 WeakPolarHBondContact O-CB 3.26Å; D422-F426 PolarHBondContact O-N 3.3Å; I423-F426 PolarHBondContact O-N 3.37Å; F426-S428 PolarHBondContact O-N 2.87Å; F426-E429 PolarHBondContact O-N 3.44Å; F426-E430 HydrophobicContact CE1-CG 4.02Å; F426-E430 HydrophobicContact CZ-CG 4.07Å; F426-E430 PolarHBondContact O-N 3.41Å
427	Y	37.4	Very low	41.9	Very low	94 Å²	94	89.7 Å²	89.7	37%	0.369	42%	0.424	S	S	.	.	H	α-helix	trans	-64.5	-38.8	178.3	-80.9	-61.9	0	0	0	112.6	E392 I423 L431	E392-Y427 VanDerWaalsContact CD-OH 3.22Å; E392-Y427 PolarHBondContact OE1-OH 3.15Å; E392-Y427 PolarHBondContact OE2-OH 3.47Å; I423-Y427 HydrophobicContact CG2-CD2 3.54Å; I423-Y427 HydrophobicContact CG2-CE2 3.51Å; I423-Y427 VanDerWaalsContact O-CD2 3.28Å; I423-Y427 WeakPolarHBondContact O-CD2 3.08Å; I423-Y427 PolarHBondContact O-N 3.42Å; Y427-L431 VanDerWaalsContact O-CB 3.22Å; Y427-L431 WeakPolarHBondContact O-CB 3.47Å; Y427-L431 PolarHBondContact O-N 2.93Å
428	S	44.3	Very low	41.5	Very low	32 Å²	32	84.4 Å²	84.4	22%	0.224	41%	0.405	C	S	.	.	H	α-helix	trans	-67.4	-37.6	175.4	53.3	0	0	0	0	112.5	N424 R425 F426 R432	N424-S428 VanDerWaalsContact O-CB 3.31Å; N424-S428 WeakPolarHBondContact O-CB 3.29Å; N424-S428 PolarHBondContact O-N 3.24Å; N424-S428 PolarHBondContact O-OG 3.12Å; R425-S428 VanDerWaalsContact CA-OG 3.31Å; R425-S428 WeakPolarHBondContact CA-OG 3.41Å; R425-S428 PolarHBondContact O-OG 3.23Å; F426-S428 PolarHBondContact O-N 2.87Å; S428-R432 WeakPolarHBondContact O-CB 3.38Å; S428-R432 PolarHBondContact O-N 3.24Å
429	E	40.6	Very low	41	Very low	77 Å²	77	87 Å²	87	36%	0.36	41%	0.408	S	S	.	.	H	α-helix	trans	-69.4	-43.7	175.7	-82	-62.4	134.7	0	0	113.1	R425 F426 L431 R432 L433	R425-E429 WeakPolarHBondContact O-CB 3.07Å; R425-E429 WeakPolarHBondContact O-CG 3.42Å; R425-E429 PolarHBondContact O-N 2.73Å; F426-E429 PolarHBondContact O-N 3.44Å; E429-L431 VanDerWaalsContact C-N 3.34Å; E429-L431 PolarHBondContact O-N 2.84Å; E429-R432 VanDerWaalsContact CD-NE 3.34Å; E429-R432 WeakPolarHBondContact O-CB 3.45Å; E429-R432 PolarHBondContact O-N 2.94Å; E429-R432 IonicContact OE1-CZ 3.25Å; E429-R432 IonicContact OE1-NE 2.93Å; E429-R432 PolarHBondContact OE1-NE 2.93Å; E429-R432 IonicContact OE1-NH2 2.72Å; E429-R432 IonicContact OE2-CZ 3.86Å; E429-R432 VanDerWaalsContact OE2-CZ 3.25Å; E429-R432 IonicContact OE2-NE 3.92Å; E429-R432 PolarHBondContact OE2-NE 2.85Å; E429-R432 IonicContact OE2-NH2 3.89Å; E429-R432 PolarHBondContact OE2-NH2 2.87Å; E429-L433 WeakPolarHBondContact O-CG 3.28Å; E429-L433 PolarHBondContact O-N 3.37Å
430	E	36.8	Very low	40.9	Very low	108 Å²	108	86.7 Å²	86.7	51%	0.505	40%	0.404	S	S	.	.	H	α-helix	trans	-61.9	-43.7	174.5	-83.6	-159.6	152.8	0	0	111.5	F426 R432 L433 L434	F426-E430 HydrophobicContact CE1-CG 4.02Å; F426-E430 HydrophobicContact CZ-CG 4.07Å; F426-E430 PolarHBondContact O-N 3.41Å; E430-R432 VanDerWaalsContact C-N 3.33Å; E430-R432 PolarHBondContact O-N 3.41Å; E430-L433 PolarHBondContact O-N 3.34Å; E430-L434 WeakPolarHBondContact O-CB 3.49Å; E430-L434 PolarHBondContact O-N 3.14Å
431	L	41	Very low	40.5	Very low	56 Å²	56	87 Å²	87	29%	0.293	41%	0.411	S	S	.	.	H	α-helix	trans	-62.4	-41.8	176	-162.9	77.9	0	0	0	110.8	L385 Y427 E429 L433 L434 W435	L385-L431 HydrophobicContact CD2-CD1 4.36Å; Y427-L431 VanDerWaalsContact O-CB 3.22Å; Y427-L431 WeakPolarHBondContact O-CB 3.47Å; Y427-L431 PolarHBondContact O-N 2.93Å; E429-L431 VanDerWaalsContact C-N 3.34Å; E429-L431 PolarHBondContact O-N 2.84Å; L431-L433 PolarHBondContact O-N 3.3Å; L431-L434 PolarHBondContact O-N 3.02Å; L431-W435 WeakPolarHBondContact O-CB 3.14Å; L431-W435 PolarHBondContact O-N 3.43Å
432	R	42.5	Very low	39.6	Very low	94 Å²	94	88.4 Å²	88.4	36%	0.355	41%	0.408	S	S	.	.	H	α-helix	trans	-61	-42.4	175.7	-172.5	-174.4	73.8	79.5	2.9	111.8	S428 E429 E430 W435 K436	S428-R432 WeakPolarHBondContact O-CB 3.38Å; S428-R432 PolarHBondContact O-N 3.24Å; E429-R432 VanDerWaalsContact CD-NE 3.34Å; E429-R432 WeakPolarHBondContact O-CB 3.45Å; E429-R432 PolarHBondContact O-N 2.94Å; E429-R432 IonicContact OE1-CZ 3.25Å; E429-R432 IonicContact OE1-NE 2.93Å; E429-R432 PolarHBondContact OE1-NE 2.93Å; E429-R432 IonicContact OE1-NH2 2.72Å; E429-R432 IonicContact OE2-CZ 3.86Å; E429-R432 VanDerWaalsContact OE2-CZ 3.25Å; E429-R432 IonicContact OE2-NE 3.92Å; E429-R432 PolarHBondContact OE2-NE 2.85Å; E429-R432 IonicContact OE2-NH2 3.89Å; E429-R432 PolarHBondContact OE2-NH2 2.87Å; E430-R432 VanDerWaalsContact C-N 3.33Å; E430-R432 PolarHBondContact O-N 3.41Å; R432-W435 PolarHBondContact O-N 3.27Å; R432-K436 VanDerWaalsContact O-CB 3.32Å; R432-K436 WeakPolarHBondContact O-CB 3.42Å; R432-K436 PolarHBondContact O-N 3.23Å
433	L	41.2	Very low	38.9	Very low	90 Å²	90	85.6 Å²	85.6	47%	0.471	39%	0.394	S	S	.	.	H	α-helix	trans	-67	-41.7	177.4	-72.6	171.3	0	0	0	111.7	E429 E430 L431 K436 Q437	E429-L433 WeakPolarHBondContact O-CG 3.28Å; E429-L433 PolarHBondContact O-N 3.37Å; E430-L433 PolarHBondContact O-N 3.34Å; L431-L433 PolarHBondContact O-N 3.3Å; L433-K436 PolarHBondContact O-N 2.87Å; L433-Q437 WeakPolarHBondContact O-CB 3.39Å; L433-Q437 PolarHBondContact O-N 3.36Å
434	L	39.8	Very low	38.7	Very low	101 Å²	101	86.2 Å²	86.2	53%	0.529	40%	0.402	S	S	.	.	H	α-helix	trans	-60.1	-47.4	174.6	-173	72.4	0	0	0	110.9	E430 L431 Q437 V438	E430-L434 WeakPolarHBondContact O-CB 3.49Å; E430-L434 PolarHBondContact O-N 3.14Å; L431-L434 PolarHBondContact O-N 3.02Å; L434-Q437 PolarHBondContact O-N 3.48Å; L434-V438 WeakPolarHBondContact O-CG2 3.49Å; L434-V438 PolarHBondContact O-N 3Å
435	W	42.5	Very low	38.1	Very low	89 Å²	89	90.8 Å²	90.8	34%	0.337	42%	0.416	S	S	.	.	H	α-helix	trans	-61.8	-45.9	176.1	-82.8	118	0	0	0	112.4	W378 M382 L431 R432 Q437 V438 Y439	W378-W435 HydrophobicContact CZ2-CH2 4.19Å; M382-W435 HydrophobicContact CE-CZ2 4.47Å; L431-W435 WeakPolarHBondContact O-CB 3.14Å; L431-W435 PolarHBondContact O-N 3.43Å; R432-W435 PolarHBondContact O-N 3.27Å; W435-Q437 VanDerWaalsContact C-N 3.26Å; W435-Q437 PolarHBondContact O-N 3.17Å; W435-V438 PolarHBondContact O-N 3.29Å; W435-Y439 HydrophobicContact CD2-CE2 4.21Å; W435-Y439 AromaticContact CE3-CD2 3.76Å; W435-Y439 HydrophobicContact CE3-CD2 3.76Å; W435-Y439 AromaticContact CE3-CE2 3.21Å; W435-Y439 HydrophobicContact CE3-CE2 3.21Å; W435-Y439 HydrophobicContact CZ3-CD2 4.39Å; W435-Y439 AromaticContact CZ3-CE2 3.51Å; W435-Y439 HydrophobicContact CZ3-CE2 3.51Å; W435-Y439 AromaticContact CZ3-CZ 3.98Å; W435-Y439 WeakPolarHBondContact O-CB 3.47Å; W435-Y439 VanDerWaalsContact O-CD2 3.28Å; W435-Y439 WeakPolarHBondContact O-CD2 3.32Å; W435-Y439 PolarHBondContact O-N 3.34Å
436	K	41.1	Very low	37.6	Very low	83 Å²	83	89.2 Å²	89.2	36%	0.361	42%	0.42	S	S	.	.	H	α-helix	trans	-55.7	-44.5	175.6	-175.4	-178.9	177.8	-173.3	0	110.8	R432 L433 E440	R432-K436 VanDerWaalsContact O-CB 3.32Å; R432-K436 WeakPolarHBondContact O-CB 3.42Å; R432-K436 PolarHBondContact O-N 3.23Å; L433-K436 PolarHBondContact O-N 2.87Å; K436-E440 WeakPolarHBondContact CE-OE1 3.49Å; K436-E440 VanDerWaalsContact CE-OE2 3.25Å; K436-E440 WeakPolarHBondContact CE-OE2 3.48Å; K436-E440 HydrophobicContact CG-CG 4.09Å; K436-E440 IonicContact NZ-OE1 2.74Å; K436-E440 VanDerWaalsContact O-CB 3.22Å; K436-E440 WeakPolarHBondContact O-CB 3.43Å; K436-E440 VanDerWaalsContact O-CG 3.28Å; K436-E440 WeakPolarHBondContact O-CG 3.13Å; K436-E440 PolarHBondContact O-N 2.8Å
437	Q	36.7	Very low	37.5	Very low	118 Å²	118	87.3 Å²	87.3	55%	0.551	41%	0.41	S	S	*	.	H	α-helix	trans	-65.9	-44.7	179.8	-173.9	174.7	-13.2	0	0	112.5	L433 L434 W435 S441	L433-Q437 WeakPolarHBondContact O-CB 3.39Å; L433-Q437 PolarHBondContact O-N 3.36Å; L434-Q437 PolarHBondContact O-N 3.48Å; W435-Q437 VanDerWaalsContact C-N 3.26Å; W435-Q437 PolarHBondContact O-N 3.17Å; Q437-S441 PolarHBondContact O-N 3.43Å; Q437-S441 PolarHBondContact O-OG 2.93Å
438	V	35.9	Very low	37.4	Very low	52 Å²	52	84.6 Å²	84.6	32%	0.315	40%	0.402	S	S	.	.	H	α-helix	trans	-61.1	-47.1	176.8	172.5	0	0	0	0	110.6	L434 W435 W442	L434-V438 WeakPolarHBondContact O-CG2 3.49Å; L434-V438 PolarHBondContact O-N 3Å; W435-V438 PolarHBondContact O-N 3.29Å; V438-W442 WeakPolarHBondContact O-CB 3.42Å; V438-W442 PolarHBondContact O-N 2.89Å
439	Y	37.4	Very low	37	Very low	109 Å²	109	87.7 Å²	87.7	43%	0.427	41%	0.413	S	S	.	.	H	α-helix	trans	-73.7	-43.6	-176.8	-82	-69.5	0	0	0	114	W435 S441 W442 V443	W435-Y439 HydrophobicContact CD2-CE2 4.21Å; W435-Y439 AromaticContact CE3-CD2 3.76Å; W435-Y439 HydrophobicContact CE3-CD2 3.76Å; W435-Y439 AromaticContact CE3-CE2 3.21Å; W435-Y439 HydrophobicContact CE3-CE2 3.21Å; W435-Y439 HydrophobicContact CZ3-CD2 4.39Å; W435-Y439 AromaticContact CZ3-CE2 3.51Å; W435-Y439 HydrophobicContact CZ3-CE2 3.51Å; W435-Y439 AromaticContact CZ3-CZ 3.98Å; W435-Y439 WeakPolarHBondContact O-CB 3.47Å; W435-Y439 VanDerWaalsContact O-CD2 3.28Å; W435-Y439 WeakPolarHBondContact O-CD2 3.32Å; W435-Y439 PolarHBondContact O-N 3.34Å; Y439-S441 PolarHBondContact O-N 3.5Å; Y439-W442 PolarHBondContact O-N 3.32Å; Y439-V443 HydrophobicContact CD1-CG2 4.13Å; Y439-V443 PolarHBondContact O-N 3.45Å
440	E	36.6	Very low	36.8	Very low	84 Å²	84	90.8 Å²	90.8	39%	0.393	42%	0.423	S	S	.	.	H	α-helix	trans	-67.3	-23.7	-178.9	-73.9	-176.3	163.8	0	0	112.9	K436	K436-E440 WeakPolarHBondContact CE-OE1 3.49Å; K436-E440 VanDerWaalsContact CE-OE2 3.25Å; K436-E440 WeakPolarHBondContact CE-OE2 3.48Å; K436-E440 HydrophobicContact CG-CG 4.09Å; K436-E440 IonicContact NZ-OE1 2.74Å; K436-E440 VanDerWaalsContact O-CB 3.22Å; K436-E440 WeakPolarHBondContact O-CB 3.43Å; K436-E440 VanDerWaalsContact O-CG 3.28Å; K436-E440 WeakPolarHBondContact O-CG 3.13Å; K436-E440 PolarHBondContact O-N 2.8Å
441	S	34.5	Very low	36.8	Very low	62 Å²	62	86.4 Å²	86.4	43%	0.434	40%	0.402	S	S	.	.	H	α-helix	trans	-92.5	-12.5	178.6	53.9	0	0	0	0	114.7	Q437 Y439	Q437-S441 PolarHBondContact O-N 3.43Å; Q437-S441 PolarHBondContact O-OG 2.93Å; Y439-S441 PolarHBondContact O-N 3.5Å
442	W	29.6	Very low	36.8	Very low	134 Å²	134	85.3 Å²	85.3	51%	0.508	40%	0.399	S	S	.	.	H	α-helix	trans	-118.9	-22.3	-167.2	-70.8	52.4	0	0	0	115.6	V438 Y439 P444 M591 I595	V438-W442 WeakPolarHBondContact O-CB 3.42Å; V438-W442 PolarHBondContact O-N 2.89Å; Y439-W442 PolarHBondContact O-N 3.32Å; W442-P444 WeakPolarHBondContact O-CD 3.46Å; W442-M591 HydrophobicContact CB-CE 3.99Å; W442-M591 HydrophobicContact CE3-CE 4.12Å; W442-M591 HydrophobicContact CE3-CG 4.43Å; W442-I595 HydrophobicContact CZ3-CD1 4.07Å; W442-I595 HydrophobicContact CZ3-CG1 4.13Å
443	V	32.2	Very low	36.7	Very low	30 Å²	30	84.1 Å²	84.1	18%	0.182	40%	0.399	C	S	.	.	S	Bend	trans	-96	120.2	-175.7	-174.3	0	0	0	0	112	Y439 L448 L587	Y439-V443 HydrophobicContact CD1-CG2 4.13Å; Y439-V443 PolarHBondContact O-N 3.45Å; V443-L448 HydrophobicContact CG1-CD1 4.26Å; V443-L448 HydrophobicContact CG1-CD2 4.1Å; V443-L448 HydrophobicContact CG1-CG 4.07Å; V443-L587 HydrophobicContact CG1-CD2 3.7Å; V443-L587 HydrophobicContact CG2-CD2 3.99Å
444	P	32.5	Very low	36.7	Very low	70 Å²	70	83 Å²	83	46%	0.455	39%	0.392	S	S	.	.			trans	-63.8	136.8	177.4	-21.8	33.6	0	0	0	113.4	W442 D446 Y447	W442-P444 WeakPolarHBondContact O-CD 3.46Å; P444-D446 VanDerWaalsContact C-N 3.35Å; P444-D446 PolarHBondContact O-N 2.83Å; P444-Y447 PolarHBondContact O-N 3.37Å
445	R	32.1	Very low	36.6	Very low	144 Å²	144	78.8 Å²	78.8	54%	0.543	37%	0.371	S	S	.	.	H	α-helix	trans	-62.9	-32.1	-172.2	-69.5	-175.2	-169.1	-127.3	-0.9	114.7	Y447 L448 Q449	R445-Y447 VanDerWaalsContact C-N 3.34Å; R445-Y447 PolarHBondContact O-N 3.47Å; R445-L448 PolarHBondContact O-N 2.91Å; R445-Q449 PolarHBondContact O-N 3.43Å
446	D	37	Very low	36.3	Very low	141 Å²	141	82.7 Å²	82.7	75%	0.754	39%	0.385	S	S	*	.	H	α-helix	trans	-70	-33.1	-173.5	-61	-27	0	0	0	112.2	P444 Q449 Y450	P444-D446 VanDerWaalsContact C-N 3.35Å; P444-D446 PolarHBondContact O-N 2.83Å; D446-Q449 PolarHBondContact O-N 2.87Å; D446-Y450 PolarHBondContact O-N 2.92Å; D446-Y450 VanDerWaalsContact O-N 3.17Å
447	Y	35.9	Very low	36.3	Very low	65 Å²	65	83.9 Å²	83.9	26%	0.255	39%	0.39	S	S	.	.	H	α-helix	trans	-68.2	-38.3	177	-169.3	-98.7	0	0	0	112	P444 R445 Q449 Y450 F451 A586	P444-Y447 PolarHBondContact O-N 3.37Å; R445-Y447 VanDerWaalsContact C-N 3.34Å; R445-Y447 PolarHBondContact O-N 3.47Å; Y447-Q449 VanDerWaalsContact C-N 3.27Å; Y447-Q449 PolarHBondContact O-N 3.4Å; Y447-Y450 PolarHBondContact O-N 3.01Å; Y447-F451 VanDerWaalsContact O-CB 3.23Å; Y447-F451 WeakPolarHBondContact O-CB 3.2Å; Y447-F451 PolarHBondContact O-N 2.92Å; Y447-A586 HydrophobicContact CE1-CB 4.45Å; Y447-A586 HydrophobicContact CE2-CB 4.48Å; Y447-A586 WeakPolarHBondContact OH-CB 3.28Å
448	L	36	Very low	36.4	Very low	38 Å²	38	81.7 Å²	81.7	20%	0.199	39%	0.385	C	S	.	.	H	α-helix	trans	-64.1	-33.6	177.8	-67	171.9	0	0	0	112.2	V443 R445 S452	V443-L448 HydrophobicContact CG1-CD1 4.26Å; V443-L448 HydrophobicContact CG1-CD2 4.1Å; V443-L448 HydrophobicContact CG1-CG 4.07Å; R445-L448 PolarHBondContact O-N 2.91Å; L448-S452 WeakPolarHBondContact O-CB 3.25Å; L448-S452 PolarHBondContact O-N 3.29Å
449	Q	36.2	Very low	36.4	Very low	97 Å²	97	82.8 Å²	82.8	45%	0.453	39%	0.386	S	S	.	.	H	α-helix	trans	-71.5	-47.8	176.4	-167.7	63.4	37.7	0	0	111.1	R445 D446 Y447 F451 S452 D453	R445-Q449 PolarHBondContact O-N 3.43Å; D446-Q449 PolarHBondContact O-N 2.87Å; Y447-Q449 VanDerWaalsContact C-N 3.27Å; Y447-Q449 PolarHBondContact O-N 3.4Å; Q449-F451 VanDerWaalsContact C-N 3.29Å; Q449-F451 PolarHBondContact O-N 3.43Å; Q449-S452 WeakPolarHBondContact O-CB 2.83Å; Q449-S452 PolarHBondContact O-N 2.87Å; Q449-D453 PolarHBondContact O-N 3.29Å
450	Y	34.6	Very low	36.5	Very low	142 Å²	142	81.6 Å²	81.6	56%	0.557	39%	0.386	S	S	*	.	H	α-helix	trans	-56.2	-44.6	173.8	177.9	-98	0	0	0	111.7	D446 Y447 D453 E454	D446-Y450 PolarHBondContact O-N 2.92Å; D446-Y450 VanDerWaalsContact O-N 3.17Å; Y447-Y450 PolarHBondContact O-N 3.01Å; Y450-D453 PolarHBondContact O-N 2.73Å; Y450-E454 HydrophobicContact CD1-CG 4.5Å; Y450-E454 HydrophobicContact CE1-CG 3.99Å; Y450-E454 HydrophobicContact CE2-CG 4.37Å; Y450-E454 PolarHBondContact O-N 3.25Å
451	F	38.7	Very low	36.5	Very low	15 Å²	15	82.5 Å²	82.5	7%	0.066	39%	0.393	C	S	.	.	H	α-helix	trans	-64.9	-42.2	177.8	179.1	-118.6	0	0	0	112.8	Y447 Q449 D453 E454 T455 V579 V583 V638 L642	Y447-F451 VanDerWaalsContact O-CB 3.23Å; Y447-F451 WeakPolarHBondContact O-CB 3.2Å; Y447-F451 PolarHBondContact O-N 2.92Å; Q449-F451 VanDerWaalsContact C-N 3.29Å; Q449-F451 PolarHBondContact O-N 3.43Å; F451-D453 VanDerWaalsContact C-N 3.25Å; F451-D453 PolarHBondContact O-N 2.97Å; F451-E454 PolarHBondContact O-N 2.93Å; F451-T455 WeakPolarHBondContact CE2-OG1 3.48Å; F451-T455 VanDerWaalsContact O-CB 3.28Å; F451-T455 WeakPolarHBondContact O-CB 3.39Å; F451-T455 PolarHBondContact O-N 3.36Å; F451-T455 PolarHBondContact O-OG1 2.6Å; F451-V579 HydrophobicContact CE2-CG1 4.25Å; F451-V583 HydrophobicContact CD2-CG2 3.68Å; F451-V583 HydrophobicContact CE1-CG2 4.49Å; F451-V583 HydrophobicContact CE2-CB 4.37Å; F451-V583 HydrophobicContact CE2-CG1 4.43Å; F451-V583 HydrophobicContact CE2-CG2 3.09Å; F451-V583 HydrophobicContact CZ-CG1 4.25Å; F451-V583 HydrophobicContact CZ-CG2 3.57Å; F451-V638 HydrophobicContact CD1-CB 4.04Å; F451-V638 HydrophobicContact CD1-CG1 3.42Å; F451-V638 VanDerWaalsContact CD1-CG1 3.42Å; F451-V638 HydrophobicContact CE1-CB 4.02Å; F451-V638 HydrophobicContact CE1-CG1 3.25Å; F451-V638 HydrophobicContact CG-CG1 4.42Å; F451-V638 HydrophobicContact CZ-CG1 4.12Å; F451-L642 HydrophobicContact CZ-CD1 4.18Å
452	S	39.5	Very low	36.7	Very low	33 Å²	33	81.6 Å²	81.6	23%	0.231	38%	0.383	C	S	.	.	H	α-helix	trans	-57.5	-40.5	173.3	-174.8	0	0	0	0	111.8	L448 Q449 R456	L448-S452 WeakPolarHBondContact O-CB 3.25Å; L448-S452 PolarHBondContact O-N 3.29Å; Q449-S452 WeakPolarHBondContact O-CB 2.83Å; Q449-S452 PolarHBondContact O-N 2.87Å; S452-R456 VanDerWaalsContact O-CB 3.3Å; S452-R456 WeakPolarHBondContact O-CB 3.28Å; S452-R456 PolarHBondContact O-N 2.94Å
453	D	41.3	Very low	37	Very low	69 Å²	69	79.9 Å²	79.9	37%	0.369	38%	0.384	S	S	.	.	H	α-helix	trans	-72.9	-43.6	-177.4	-70.8	-20.3	0	0	0	112	Q449 Y450 F451 R456 K457	Q449-D453 PolarHBondContact O-N 3.29Å; Y450-D453 PolarHBondContact O-N 2.73Å; F451-D453 VanDerWaalsContact C-N 3.25Å; F451-D453 PolarHBondContact O-N 2.97Å; D453-R456 PolarHBondContact O-N 3.34Å; D453-K457 WeakPolarHBondContact O-CG 3.45Å; D453-K457 PolarHBondContact O-N 3.02Å
454	E	40.2	Very low	37.4	Very low	66 Å²	66	83 Å²	83	31%	0.308	40%	0.399	S	S	.	.	H	α-helix	trans	-63.5	-43.9	174.2	-73.9	-53.3	131.3	0	0	111.9	Y450 F451 R456 K457 V458	Y450-E454 HydrophobicContact CD1-CG 4.5Å; Y450-E454 HydrophobicContact CE1-CG 3.99Å; Y450-E454 HydrophobicContact CE2-CG 4.37Å; Y450-E454 PolarHBondContact O-N 3.25Å; F451-E454 PolarHBondContact O-N 2.93Å; E454-R456 VanDerWaalsContact C-N 3.29Å; E454-R456 PolarHBondContact O-N 2.88Å; E454-K457 WeakPolarHBondContact O-CB 3.49Å; E454-K457 PolarHBondContact O-N 2.72Å; E454-K457 VanDerWaalsContact O-N 3.12Å; E454-K457 IonicContact OE1-NZ 2.68Å; E454-K457 PolarHBondContact OE1-NZ 3.48Å; E454-V458 WeakPolarHBondContact O-CG2 3.3Å; E454-V458 PolarHBondContact O-N 3.37Å
455	T	38.9	Very low	37.6	Very low	14 Å²	14	83.9 Å²	83.9	9%	0.086	40%	0.403	C	S	.	.	H	α-helix	trans	-59.5	-42.5	175.9	-54.6	0	0	0	0	110.8	F451 K457 V458 F459 V638 L642	F451-T455 WeakPolarHBondContact CE2-OG1 3.48Å; F451-T455 VanDerWaalsContact O-CB 3.28Å; F451-T455 WeakPolarHBondContact O-CB 3.39Å; F451-T455 PolarHBondContact O-N 3.36Å; F451-T455 PolarHBondContact O-OG1 2.6Å; T455-K457 PolarHBondContact O-N 2.93Å; T455-V458 PolarHBondContact O-N 3.06Å; T455-F459 HydrophobicContact CG2-CD2 3.77Å; T455-F459 HydrophobicContact CG2-CE2 3.5Å; T455-F459 WeakPolarHBondContact O-CD2 3.22Å; T455-F459 PolarHBondContact O-N 3.48Å; T455-V638 HydrophobicContact CG2-CG1 4.34Å; T455-L642 HydrophobicContact CG2-CD1 3.74Å
456	R	36.7	Very low	37.8	Very low	170 Å²	170	80.2 Å²	80.2	64%	0.642	39%	0.394	S	S	*	.	H	α-helix	trans	-62.4	-40.1	175.6	-176.8	178.6	174.5	167	-0.6	112.3	S452 D453 E454 F459 I460	S452-R456 VanDerWaalsContact O-CB 3.3Å; S452-R456 WeakPolarHBondContact O-CB 3.28Å; S452-R456 PolarHBondContact O-N 2.94Å; D453-R456 PolarHBondContact O-N 3.34Å; E454-R456 VanDerWaalsContact C-N 3.29Å; E454-R456 PolarHBondContact O-N 2.88Å; R456-F459 PolarHBondContact O-N 3.07Å; R456-I460 HydrophobicContact CG-CD1 4Å; R456-I460 VanDerWaalsContact O-CG1 3.3Å; R456-I460 WeakPolarHBondContact O-CG1 3.37Å; R456-I460 PolarHBondContact O-N 3.32Å
457	K	40.8	Very low	37.9	Very low	108 Å²	108	79.7 Å²	79.7	47%	0.47	39%	0.387	S	S	.	.	H	α-helix	trans	-62	-42.9	175.9	-70.6	171.9	-170.5	170.3	0	111.5	D453 E454 T455 I460 N461	D453-K457 WeakPolarHBondContact O-CG 3.45Å; D453-K457 PolarHBondContact O-N 3.02Å; E454-K457 WeakPolarHBondContact O-CB 3.49Å; E454-K457 PolarHBondContact O-N 2.72Å; E454-K457 VanDerWaalsContact O-N 3.12Å; E454-K457 IonicContact OE1-NZ 2.68Å; E454-K457 PolarHBondContact OE1-NZ 3.48Å; T455-K457 PolarHBondContact O-N 2.93Å; K457-I460 PolarHBondContact O-N 3.07Å; K457-N461 PolarHBondContact O-N 3.43Å; K457-N461 PolarHBondContact O-ND2 3.42Å
458	V	37.3	Very low	38.2	Very low	73 Å²	73	83 Å²	83	44%	0.442	40%	0.402	S	S	.	.	H	α-helix	trans	-61.3	-46.7	176.4	176.1	0	0	0	0	110.9	E454 T455 I460 N461 L462	E454-V458 WeakPolarHBondContact O-CG2 3.3Å; E454-V458 PolarHBondContact O-N 3.37Å; T455-V458 PolarHBondContact O-N 3.06Å; V458-I460 PolarHBondContact O-N 3Å; V458-N461 PolarHBondContact O-N 2.79Å; V458-L462 WeakPolarHBondContact O-CB 3.49Å; V458-L462 PolarHBondContact O-N 3.35Å
459	F	37	Very low	38.3	Very low	74 Å²	74	85.4 Å²	85.4	33%	0.325	42%	0.415	S	S	.	.	H	α-helix	trans	-64.1	-36	176.9	-80.4	-66.4	0	0	0	113.7	T455 R456 L462 N463 A645	T455-F459 HydrophobicContact CG2-CD2 3.77Å; T455-F459 HydrophobicContact CG2-CE2 3.5Å; T455-F459 WeakPolarHBondContact O-CD2 3.22Å; T455-F459 PolarHBondContact O-N 3.48Å; R456-F459 PolarHBondContact O-N 3.07Å; F459-L462 WeakPolarHBondContact O-CB 3.1Å; F459-L462 PolarHBondContact O-N 3.12Å; F459-N463 PolarHBondContact O-N 3.35Å; F459-A645 HydrophobicContact CE1-CB 3.98Å; F459-A645 HydrophobicContact CZ-CB 3.66Å
460	I	38.4	Very low	38.4	Very low	85 Å²	85	85.1 Å²	85.1	44%	0.436	42%	0.416	S	S	.	.	H	α-helix	trans	-64.2	-46.2	174.3	-70.8	166.5	0	0	0	110.4	R456 K457 V458 L462 N463 L464	R456-I460 HydrophobicContact CG-CD1 4Å; R456-I460 VanDerWaalsContact O-CG1 3.3Å; R456-I460 WeakPolarHBondContact O-CG1 3.37Å; R456-I460 PolarHBondContact O-N 3.32Å; K457-I460 PolarHBondContact O-N 3.07Å; V458-I460 PolarHBondContact O-N 3Å; I460-L462 VanDerWaalsContact C-N 3.26Å; I460-L462 PolarHBondContact O-N 3.5Å; I460-N463 PolarHBondContact O-N 2.94Å; I460-L464 HydrophobicContact CG2-CD1 4.34Å; I460-L464 WeakPolarHBondContact O-CG 3.25Å; I460-L464 PolarHBondContact O-N 3.02Å
461	N	37.5	Very low	38.7	Very low	102 Å²	102	80.1 Å²	80.1	55%	0.545	40%	0.402	S	S	.	.	H	α-helix	trans	-61.2	-38.1	176.6	-72.7	-23.8	0	0	0	111.6	K457 V458 L464 V465	K457-N461 PolarHBondContact O-N 3.43Å; K457-N461 PolarHBondContact O-ND2 3.42Å; V458-N461 PolarHBondContact O-N 2.79Å; N461-L464 PolarHBondContact O-N 3.07Å; N461-V465 WeakPolarHBondContact O-CG2 3.34Å; N461-V465 PolarHBondContact O-N 3.02Å
462	L	37.5	Very low	38.8	Very low	43 Å²	43	85.7 Å²	85.7	23%	0.225	43%	0.427	C	S	.	.	H	α-helix	trans	-62	-49.1	175.2	-170.8	113.2	0	0	0	112.2	V458 F459 I460 L464 V465 I466 L572	V458-L462 WeakPolarHBondContact O-CB 3.49Å; V458-L462 PolarHBondContact O-N 3.35Å; F459-L462 WeakPolarHBondContact O-CB 3.1Å; F459-L462 PolarHBondContact O-N 3.12Å; I460-L462 VanDerWaalsContact C-N 3.26Å; I460-L462 PolarHBondContact O-N 3.5Å; L462-L464 VanDerWaalsContact C-N 3.27Å; L462-L464 PolarHBondContact O-N 3.31Å; L462-V465 PolarHBondContact O-N 3.46Å; L462-V465 VanDerWaalsContact O-N 3.12Å; L462-I466 HydrophobicContact CD2-CD1 3.64Å; L462-I466 HydrophobicContact CG-CD1 4.05Å; L462-I466 WeakPolarHBondContact O-CG1 3.29Å; L462-I466 PolarHBondContact O-N 2.84Å; L462-L572 HydrophobicContact CD1-CD1 3.24Å; L462-L572 HydrophobicContact CD1-CD2 3.56Å; L462-L572 HydrophobicContact CD1-CG 4.03Å
463	N	37.8	Very low	38.7	Very low	98 Å²	98	87.5 Å²	87.5	52%	0.524	43%	0.433	S	S	.	.	H	α-helix	trans	-59.2	-39.6	176.4	-83.7	-11.7	0	0	0	111.5	F459 I460 V465 I466 E467	F459-N463 PolarHBondContact O-N 3.35Å; I460-N463 PolarHBondContact O-N 2.94Å; N463-V465 PolarHBondContact O-N 2.79Å; N463-I466 PolarHBondContact O-N 3.1Å; N463-E467 WeakPolarHBondContact O-CB 3.4Å; N463-E467 WeakPolarHBondContact O-CG 3.18Å; N463-E467 PolarHBondContact O-N 3.24Å
464	L	39.7	Very low	38.4	Very low	96 Å²	96	90.5 Å²	90.5	50%	0.503	44%	0.444	S	S	.	.	H	α-helix	trans	-63.3	-39.1	175.2	-73	171	0	0	0	112.7	I460 N461 L462 K468	I460-L464 HydrophobicContact CG2-CD1 4.34Å; I460-L464 WeakPolarHBondContact O-CG 3.25Å; I460-L464 PolarHBondContact O-N 3.02Å; N461-L464 PolarHBondContact O-N 3.07Å; L462-L464 VanDerWaalsContact C-N 3.27Å; L462-L464 PolarHBondContact O-N 3.31Å; L464-K468 VanDerWaalsContact O-CB 3.27Å; L464-K468 WeakPolarHBondContact O-CB 3.49Å; L464-K468 PolarHBondContact O-N 3.09Å
465	V	36.8	Very low	38.5	Very low	89 Å²	89	94.1 Å²	94.1	54%	0.539	46%	0.459	S	S	.	.	H	α-helix	trans	-67	-43.5	176	172.6	0	0	0	0	110.7	N461 L462 N463 K468 L469	N461-V465 WeakPolarHBondContact O-CG2 3.34Å; N461-V465 PolarHBondContact O-N 3.02Å; L462-V465 PolarHBondContact O-N 3.46Å; L462-V465 VanDerWaalsContact O-N 3.12Å; N463-V465 PolarHBondContact O-N 2.79Å; V465-K468 PolarHBondContact O-N 3.36Å; V465-L469 HydrophobicContact CG1-CD1 4.07Å; V465-L469 WeakPolarHBondContact O-CG 3.28Å; V465-L469 PolarHBondContact O-N 3.1Å
466	I	36.5	Very low	38.6	Very low	66 Å²	66	95.5 Å²	95.5	34%	0.338	48%	0.477	S	S	.	.	H	α-helix	trans	-64.4	-48	177.9	-66.8	170.5	0	0	0	110.9	L462 N463 K468 L469 L470	L462-I466 HydrophobicContact CD2-CD1 3.64Å; L462-I466 HydrophobicContact CG-CD1 4.05Å; L462-I466 WeakPolarHBondContact O-CG1 3.29Å; L462-I466 PolarHBondContact O-N 2.84Å; N463-I466 PolarHBondContact O-N 3.1Å; I466-K468 VanDerWaalsContact C-N 3.26Å; I466-K468 PolarHBondContact O-N 3.48Å; I466-L469 PolarHBondContact O-N 3.29Å; I466-L470 HydrophobicContact CG2-CD1 3.96Å; I466-L470 HydrophobicContact CG2-CG 4.36Å; I466-L470 WeakPolarHBondContact O-CG 3.28Å; I466-L470 PolarHBondContact O-N 2.92Å
467	E	39.5	Very low	38.5	Very low	130 Å²	130	91.5 Å²	91.5	61%	0.607	47%	0.468	S	S	*	.	H	α-helix	trans	-57.8	-40.8	175.6	-80.8	-173.5	169.4	0	0	111.4	N463 L470 S471	N463-E467 WeakPolarHBondContact O-CB 3.4Å; N463-E467 WeakPolarHBondContact O-CG 3.18Å; N463-E467 PolarHBondContact O-N 3.24Å; E467-L470 PolarHBondContact O-N 2.95Å; E467-S471 WeakPolarHBondContact O-CB 3.49Å; E467-S471 PolarHBondContact O-N 3.34Å
468	K	42.4	Very low	37.9	Very low	135 Å²	135	90.4 Å²	90.4	59%	0.587	47%	0.473	S	S	*	.	H	α-helix	trans	-66.6	-41.9	178.3	-158.2	169.9	-174.7	174.6	0	111.6	L464 V465 I466 S471 F472	L464-K468 VanDerWaalsContact O-CB 3.27Å; L464-K468 WeakPolarHBondContact O-CB 3.49Å; L464-K468 PolarHBondContact O-N 3.09Å; V465-K468 PolarHBondContact O-N 3.36Å; I466-K468 VanDerWaalsContact C-N 3.26Å; I466-K468 PolarHBondContact O-N 3.48Å; K468-S471 PolarHBondContact O-N 3.42Å; K468-S471 PolarHBondContact O-OG 2.92Å; K468-F472 HydrophobicContact CG-CD2 4.43Å; K468-F472 HydrophobicContact CG-CE2 3.88Å; K468-F472 WeakPolarHBondContact O-CD2 3.32Å; K468-F472 PolarHBondContact O-N 3.48Å
469	L	36.9	Very low	37.7	Very low	89 Å²	89	94.1 Å²	94.1	47%	0.466	49%	0.49	S	S	.	.	H	α-helix	trans	-61.9	-45	173.6	-75.6	168.1	0	0	0	111.9	V465 I466 S471 F472 I473	V465-L469 HydrophobicContact CG1-CD1 4.07Å; V465-L469 WeakPolarHBondContact O-CG 3.28Å; V465-L469 PolarHBondContact O-N 3.1Å; I466-L469 PolarHBondContact O-N 3.29Å; L469-S471 VanDerWaalsContact C-N 3.32Å; L469-S471 PolarHBondContact O-N 3.34Å; L469-F472 WeakPolarHBondContact O-CB 3.13Å; L469-F472 PolarHBondContact O-N 3.27Å; L469-I473 WeakPolarHBondContact O-CG1 3.46Å; L469-I473 PolarHBondContact O-N 3.46Å; L469-I473 VanDerWaalsContact O-N 3.08Å
470	L	38.9	Very low	37.5	Very low	91 Å²	91	96 Å²	96	48%	0.476	51%	0.508	S	S	.	.	H	α-helix	trans	-61.9	-40.1	174.3	-71.3	172.5	0	0	0	111.3	I466 E467 F472 I473 E474	I466-L470 HydrophobicContact CG2-CD1 3.96Å; I466-L470 HydrophobicContact CG2-CG 4.36Å; I466-L470 WeakPolarHBondContact O-CG 3.28Å; I466-L470 PolarHBondContact O-N 2.92Å; E467-L470 PolarHBondContact O-N 2.95Å; L470-F472 VanDerWaalsContact C-N 3.28Å; L470-F472 PolarHBondContact O-N 2.89Å; L470-I473 HydrophobicContact CD2-CD1 4.46Å; L470-I473 CarbonylContact O-C 3.5Å; L470-I473 WeakPolarHBondContact O-CB 3.2Å; L470-I473 PolarHBondContact O-N 2.87Å; L470-I473 VanDerWaalsContact O-N 3.09Å; L470-E474 PolarHBondContact O-N 3.25Å
471	S	40.6	Very low	37	Very low	37 Å²	37	96.6 Å²	96.6	26%	0.259	52%	0.52	S	S	.	.	H	α-helix	trans	-63.3	-32.7	175.4	88.2	0	0	0	0	112.9	E467 K468 L469 K475	E467-S471 WeakPolarHBondContact O-CB 3.49Å; E467-S471 PolarHBondContact O-N 3.34Å; K468-S471 PolarHBondContact O-N 3.42Å; K468-S471 PolarHBondContact O-OG 2.92Å; L469-S471 VanDerWaalsContact C-N 3.32Å; L469-S471 PolarHBondContact O-N 3.34Å; S471-K475 VanDerWaalsContact O-CB 3.25Å; S471-K475 WeakPolarHBondContact O-CB 3.35Å; S471-K475 VanDerWaalsContact O-CG 3.25Å; S471-K475 WeakPolarHBondContact O-CG 2.95Å; S471-K475 PolarHBondContact O-N 3.49Å
472	F	41.2	Very low	36.8	Very low	132 Å²	132	97.4 Å²	97.4	58%	0.579	53%	0.533	S	S	*	.	H	α-helix	trans	-69.6	-38.1	173.7	-75.4	-62.8	0	0	0	111.3	K468 L469 L470 G476	K468-F472 HydrophobicContact CG-CD2 4.43Å; K468-F472 HydrophobicContact CG-CE2 3.88Å; K468-F472 WeakPolarHBondContact O-CD2 3.32Å; K468-F472 PolarHBondContact O-N 3.48Å; L469-F472 WeakPolarHBondContact O-CB 3.13Å; L469-F472 PolarHBondContact O-N 3.27Å; L470-F472 VanDerWaalsContact C-N 3.28Å; L470-F472 PolarHBondContact O-N 2.89Å; F472-G476 PolarHBondContact O-N 2.98Å
473	I	36.2	Very low	36.3	Very low	71 Å²	71	101.4 Å²	101.4	36%	0.364	56%	0.56	S	S	.	*	H	α-helix	trans	-67.3	-44.6	175.5	-64.6	165.2	0	0	0	110.5	L469 L470 G476 N477 M561	L469-I473 WeakPolarHBondContact O-CG1 3.46Å; L469-I473 PolarHBondContact O-N 3.46Å; L469-I473 VanDerWaalsContact O-N 3.08Å; L470-I473 HydrophobicContact CD2-CD1 4.46Å; L470-I473 CarbonylContact O-C 3.5Å; L470-I473 WeakPolarHBondContact O-CB 3.2Å; L470-I473 PolarHBondContact O-N 2.87Å; L470-I473 VanDerWaalsContact O-N 3.09Å; I473-G476 PolarHBondContact O-N 3.46Å; I473-N477 WeakPolarHBondContact O-CB 3.41Å; I473-N477 VanDerWaalsContact O-CG 3.27Å; I473-N477 PolarHBondContact O-N 2.95Å; I473-N477 VanDerWaalsContact O-N 3.09Å; I473-N477 PolarHBondContact O-ND2 3.26Å; I473-M561 HydrophobicContact CG1-CE 4.46Å
474	E	36.3	Very low	35.8	Very low	131 Å²	131	105.2 Å²	105.2	61%	0.612	57%	0.574	S	S	*	*	H	α-helix	trans	-64.6	-46.5	176.8	-75.2	-178.1	170.2	0	0	111.7	L470 G476 N477 C478	L470-E474 PolarHBondContact O-N 3.25Å; E474-G476 VanDerWaalsContact C-N 3.33Å; E474-G476 PolarHBondContact O-N 3.16Å; E474-N477 CarbonylContact O-C 3.55Å; E474-N477 PolarHBondContact O-N 3.28Å; E474-C478 WeakPolarHBondContact O-CB 3.49Å; E474-C478 PolarHBondContact O-N 3.02Å; E474-C478 PolarHBondContact O-SG 3.3Å
475	K	41.9	Very low	35	Very low	142 Å²	142	105.1 Å²	105.1	62%	0.617	58%	0.582	S	S	*	*	H	α-helix	trans	-63.2	-38.3	175.8	-75.6	176.4	179.2	177.7	0	112.4	S471 N477 C478	S471-K475 VanDerWaalsContact O-CB 3.25Å; S471-K475 WeakPolarHBondContact O-CB 3.35Å; S471-K475 VanDerWaalsContact O-CG 3.25Å; S471-K475 WeakPolarHBondContact O-CG 2.95Å; S471-K475 PolarHBondContact O-N 3.49Å; K475-N477 PolarHBondContact O-N 2.75Å; K475-C478 PolarHBondContact O-N 2.98Å
476	G	40.6	Very low	34.4	Very low	44 Å²	44	109.1 Å²	109.1	45%	0.454	59%	0.594	S	S	.	*	H	α-helix	trans	-63.2	-25.7	173.3	0	0	0	0	0	113.5	F472 I473 E474	F472-G476 PolarHBondContact O-N 2.98Å; I473-G476 PolarHBondContact O-N 3.46Å; E474-G476 VanDerWaalsContact C-N 3.33Å; E474-G476 PolarHBondContact O-N 3.16Å
477	N	34.6	Very low	33.8	Very low	85 Å²	85	112.1 Å²	112.1	46%	0.455	61%	0.609	S	S	.	*	H	α-helix	trans	-96.6	-24.4	-179.7	-70.6	-17.3	0	0	0	113.7	I473 E474 K475 T480	I473-N477 WeakPolarHBondContact O-CB 3.41Å; I473-N477 VanDerWaalsContact O-CG 3.27Å; I473-N477 PolarHBondContact O-N 2.95Å; I473-N477 VanDerWaalsContact O-N 3.09Å; I473-N477 PolarHBondContact O-ND2 3.26Å; E474-N477 CarbonylContact O-C 3.55Å; E474-N477 PolarHBondContact O-N 3.28Å; K475-N477 PolarHBondContact O-N 2.75Å; N477-T480 PolarHBondContact O-OG1 2.97Å; N477-T480 VanDerWaalsContact O-OG1 3.13Å
478	C	29	Very low	33	Very low	86 Å²	86	108.7 Å²	108.7	58%	0.581	61%	0.609	S	S	*	*	H	α-helix	trans	-77.6	-16.8	-179	-74.2	0	0	0	0	114.6	E474 K475 T480 S481	E474-C478 WeakPolarHBondContact O-CB 3.49Å; E474-C478 PolarHBondContact O-N 3.02Å; E474-C478 PolarHBondContact O-SG 3.3Å; K475-C478 PolarHBondContact O-N 2.98Å; C478-T480 PolarHBondContact O-N 2.84Å; C478-S481 PolarHBondContact O-N 3.39Å
479	D	32.5	Very low	32.2	Very low	150 Å²	150	111.2 Å²	111.2	80%	0.802	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	22.3	178.1	-77.3	-12.5	0	0	0	114
480	T	32.1	Very low	31.7	Very low	115 Å²	115	112.9 Å²	112.9	71%	0.706	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.9	12	172.7	56.5	0	0	0	0	114	N477 C478 S482	N477-T480 PolarHBondContact O-OG1 2.97Å; N477-T480 VanDerWaalsContact O-OG1 3.13Å; C478-T480 PolarHBondContact O-N 2.84Å; T480-S482 PolarHBondContact O-N 2.83Å
481	S	28.1	Very low	31.2	Very low	96 Å²	96	117.4 Å²	117.4	67%	0.671	65%	0.653	S	S	*	*			trans	-84.5	94.3	166.9	59.5	0	0	0	0	110.7	C478 T483	C478-S481 PolarHBondContact O-N 3.39Å; S481-T483 PolarHBondContact O-N 3.39Å
482	S	34.1	Very low	30.6	Very low	119 Å²	119	125.3 Å²	125.3	83%	0.832	69%	0.685	S	S	*	*			trans	-42	101.2	166.5	126	0	0	0	0	111	T480	T480-S482 PolarHBondContact O-N 2.83Å
483	T	26.5	Very low	29.8	Very low	128 Å²	128	122.2 Å²	122.2	79%	0.785	69%	0.691	S	S	*	*			trans	-148.3	115.1	148.5	27.3	0	0	0	0	108.6	S481 S485	S481-T483 PolarHBondContact O-N 3.39Å; T483-S485 PolarHBondContact O-N 3.42Å
484	H	26.3	Very low	29.3	Very low	178 Å²	178	127.8 Å²	127.8	82%	0.824	72%	0.715	S	S	*	*			trans	-41.7	107.8	170.5	-79	-75.6	0	0	0	112.5
485	S	24.1	Very low	28.9	Very low	94 Å²	94	128 Å²	128	66%	0.657	72%	0.719	S	S	*	*			trans	-127.9	111.5	133.8	59.3	0	0	0	0	106.7	T483 I487	T483-S485 PolarHBondContact O-N 3.42Å; S485-I487 PolarHBondContact O-N 2.86Å
486	H	24.1	Very low	28.2	Very low	173 Å²	173	128.5 Å²	128.5	80%	0.801	72%	0.724	S	S	*	*			trans	-57.3	85.8	168.1	-85.9	-91.8	0	0	0	108.2	G488	H486-G488 PolarHBondContact O-N 2.94Å
487	I	24.1	Very low	27.7	Very low	128 Å²	128	134 Å²	134	66%	0.656	74%	0.743	S	S	*	*			trans	-76.7	88.3	157.6	-61.4	175.7	0	0	0	104	S485 F489	S485-I487 PolarHBondContact O-N 2.86Å; I487-F489 HydrophobicContact CG2-CE2 4.25Å; I487-F489 VanDerWaalsContact O-CD2 3.29Å; I487-F489 WeakPolarHBondContact O-CD2 3.35Å; I487-F489 PolarHBondContact O-N 3.25Å
488	G	22.2	Very low	27.3	Very low	58 Å²	58	137.2 Å²	137.2	60%	0.598	75%	0.753	S	S	*	*			trans	-59.4	101	176.7	0	0	0	0	0	109.2	H486 T490	H486-G488 PolarHBondContact O-N 2.94Å; G488-T490 PolarHBondContact O-N 3.17Å
489	F	26.6	Very low	27.3	Very low	189 Å²	189	138.1 Å²	138.1	83%	0.829	75%	0.752	S	S	*	*			trans	-70.6	84.8	161.8	-74.5	-86.8	0	0	0	107.1	I487 H491	I487-F489 HydrophobicContact CG2-CE2 4.25Å; I487-F489 VanDerWaalsContact O-CD2 3.29Å; I487-F489 WeakPolarHBondContact O-CD2 3.35Å; I487-F489 PolarHBondContact O-N 3.25Å; F489-H491 PolarHBondContact O-N 2.9Å
490	T	25.2	Very low	27	Very low	124 Å²	124	133.6 Å²	133.6	76%	0.761	74%	0.741	S	S	*	*			trans	-65.2	125.5	163.9	29.7	0	0	0	0	107.1	G488 E492	G488-T490 PolarHBondContact O-N 3.17Å; T490-E492 PolarHBondContact O-N 2.91Å
491	H	29.5	Very low	26.8	Very low	186 Å²	186	136 Å²	136	86%	0.861	74%	0.742	S	S	*	*	S	Bend	trans	-43.8	133.3	172	-82.9	-91	0	0	0	109.8	F489	F489-H491 PolarHBondContact O-N 2.9Å
492	E	27.7	Very low	26.8	Very low	202 Å²	202	138.7 Å²	138.7	94%	0.944	74%	0.742	S	S	*	*			trans	79.3	62.6	178.9	-54.5	-180	161.6	0	0	115.7	T490	T490-E492 PolarHBondContact O-N 2.91Å
493	G	23.7	Very low	26.6	Very low	67 Å²	67	136.3 Å²	136.3	69%	0.691	73%	0.725	S	S	*	*			trans	-141.3	97.7	165.3	0	0	0	0	0	110.4	L495	G493-L495 PolarHBondContact O-N 3.1Å
494	H	25.7	Very low	26.6	Very low	189 Å²	189	139.1 Å²	139.1	88%	0.875	72%	0.723	S	S	*	*			trans	-46	129.1	177.7	-95.1	-72	0	0	0	113	E496	H494-E496 PolarHBondContact O-N 2.93Å
495	L	27.4	Very low	26.7	Very low	135 Å²	135	133.1 Å²	133.1	71%	0.707	70%	0.701	S	S	*	*			trans	-62.4	76.8	167.2	-109.6	140.6	0	0	0	110.5	G493 N497 F498	G493-L495 PolarHBondContact O-N 3.1Å; L495-N497 PolarHBondContact O-N 3.11Å; L495-F498 HydrophobicContact CD2-CD2 3.88Å
496	E	28.3	Very low	26.9	Very low	153 Å²	153	135.6 Å²	135.6	72%	0.715	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-72.5	-6.3	174.3	-82.4	-171.2	160.1	0	0	113.7	H494 F498	H494-E496 PolarHBondContact O-N 2.93Å; E496-F498 PolarHBondContact O-N 2.91Å
497	N	29.3	Very low	27.1	Very low	160 Å²	160	132.7 Å²	132.7	86%	0.856	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-91.3	12.5	179.9	-77.3	-14.8	0	0	0	115.6	L495	L495-N497 PolarHBondContact O-N 3.11Å
498	F	27.3	Very low	27.4	Very low	152 Å²	152	130.2 Å²	130.2	67%	0.667	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-105.8	7.7	170.6	-105.6	-85	0	0	0	114.8	L495 E496 G500	L495-F498 HydrophobicContact CD2-CD2 3.88Å; E496-F498 PolarHBondContact O-N 2.91Å; F498-G500 VanDerWaalsContact C-N 3.32Å; F498-G500 PolarHBondContact O-N 2.84Å
499	D	28.4	Very low	27.7	Very low	104 Å²	104	134 Å²	134	56%	0.556	68%	0.683	S	S	*	*	H	α-helix	trans	-76.4	-14.5	179	-85.8	-25.7	0	0	0	114.5	F501 S503	D499-F501 VanDerWaalsContact C-N 3.34Å; D499-F501 PolarHBondContact O-N 3.24Å; D499-S503 PolarHBondContact O-N 3.3Å; D499-S503 VanDerWaalsContact O-N 3.11Å
500	G	27	Very low	27.8	Very low	56 Å²	56	128.5 Å²	128.5	58%	0.577	67%	0.665	S	S	*	*	H	α-helix	trans	-62.2	-37.4	175.3	0	0	0	0	0	113.5	F498 Y504	F498-G500 VanDerWaalsContact C-N 3.32Å; F498-G500 PolarHBondContact O-N 2.84Å; G500-Y504 PolarHBondContact O-N 3.02Å
501	F	28.2	Very low	28.2	Very low	166 Å²	166	129 Å²	129	73%	0.728	66%	0.664	S	S	*	*	H	α-helix	trans	-86.8	-29	-177.6	-130.9	-90.3	0	0	0	113.3	D499 S505	D499-F501 VanDerWaalsContact C-N 3.34Å; D499-F501 PolarHBondContact O-N 3.24Å; F501-S505 WeakPolarHBondContact O-CB 3.13Å; F501-S505 PolarHBondContact O-N 3.04Å; F501-S505 PolarHBondContact O-OG 3.37Å
502	K	28	Very low	28.3	Very low	152 Å²	152	125.4 Å²	125.4	66%	0.661	65%	0.647	S	S	*	*	H	α-helix	trans	-71.3	-36.1	173.7	-117.8	176.7	-175.7	172.8	0	111.6	S505 K506	K502-S505 PolarHBondContact O-OG 2.89Å; K502-K506 VanDerWaalsContact O-CB 3.27Å; K502-K506 WeakPolarHBondContact O-CB 3.39Å; K502-K506 PolarHBondContact O-N 3.16Å
503	S	28.6	Very low	28.4	Very low	69 Å²	69	122.5 Å²	122.5	48%	0.483	63%	0.634	S	S	.	*	H	α-helix	trans	-71.9	-38.6	177.1	-153.4	0	0	0	0	112.3	D499 N507	D499-S503 PolarHBondContact O-N 3.3Å; D499-S503 VanDerWaalsContact O-N 3.11Å; S503-N507 PolarHBondContact O-N 2.87Å; S503-N507 VanDerWaalsContact O-N 3.16Å
504	Y	27.1	Very low	28.8	Very low	187 Å²	187	126.5 Å²	126.5	73%	0.733	64%	0.639	S	S	*	*	H	α-helix	trans	-69.2	-39	176.8	-118.3	-87.3	0	0	0	113.3	G500 C508	G500-Y504 PolarHBondContact O-N 3.02Å; Y504-C508 PolarHBondContact O-N 2.65Å
505	S	28.6	Very low	29.1	Very low	51 Å²	51	127.4 Å²	127.4	36%	0.357	64%	0.635	S	S	.	*	H	α-helix	trans	-72	-39	175.9	55.7	0	0	0	0	112.3	F501 K502 F509	F501-S505 WeakPolarHBondContact O-CB 3.13Å; F501-S505 PolarHBondContact O-N 3.04Å; F501-S505 PolarHBondContact O-OG 3.37Å; K502-S505 PolarHBondContact O-OG 2.89Å; S505-F509 VanDerWaalsContact O-CD2 3.25Å; S505-F509 WeakPolarHBondContact O-CD2 3.35Å; S505-F509 PolarHBondContact O-N 2.85Å
506	K	27	Very low	29.5	Very low	147 Å²	147	123.8 Å²	123.8	64%	0.639	62%	0.616	S	S	*	*	H	α-helix	trans	-72.5	-33.4	-177.1	-138.6	173.5	-171.5	-177.7	0	113.3	K502 T510	K502-K506 VanDerWaalsContact O-CB 3.27Å; K502-K506 WeakPolarHBondContact O-CB 3.39Å; K502-K506 PolarHBondContact O-N 3.16Å; K506-T510 HydrophobicContact CG-CG2 4.26Å; K506-T510 WeakPolarHBondContact O-CB 3.35Å; K506-T510 WeakPolarHBondContact O-CG2 3.28Å; K506-T510 PolarHBondContact O-N 3.45Å; K506-T510 PolarHBondContact O-OG1 3.38Å
507	N	29.4	Very low	29.7	Very low	111 Å²	111	124.9 Å²	124.9	59%	0.594	62%	0.619	S	S	*	*	H	α-helix	trans	-77.6	-27.5	177.3	-77.9	-9.2	0	0	0	113.6	S503	S503-N507 PolarHBondContact O-N 2.87Å; S503-N507 VanDerWaalsContact O-N 3.16Å
508	C	29.5	Very low	29.9	Very low	76 Å²	76	126.5 Å²	126.5	51%	0.514	62%	0.618	S	S	.	*	H	α-helix	trans	-75.3	-33.8	173.5	-80.3	0	0	0	0	112.9	Y504	Y504-C508 PolarHBondContact O-N 2.65Å
509	F	29	Very low	30.1	Very low	137 Å²	137	128.3 Å²	128.3	60%	0.601	62%	0.62	S	S	*	*	H	α-helix	trans	-94.9	-25	-174.6	-72.3	-69.9	0	0	0	115.7	S505 N511 Q512 E513	S505-F509 VanDerWaalsContact O-CD2 3.25Å; S505-F509 WeakPolarHBondContact O-CD2 3.35Å; S505-F509 PolarHBondContact O-N 2.85Å; F509-N511 PolarHBondContact O-N 3.31Å; F509-Q512 PolarHBondContact O-N 2.91Å; F509-E513 PolarHBondContact O-N 3.41Å
510	T	29.5	Very low	30.2	Very low	74 Å²	74	132.9 Å²	132.9	45%	0.454	63%	0.63	S	S	.	*	H	α-helix	trans	-73.8	-26.3	-177.7	48.5	0	0	0	0	114.1	K506 Q512	K506-T510 HydrophobicContact CG-CG2 4.26Å; K506-T510 WeakPolarHBondContact O-CB 3.35Å; K506-T510 WeakPolarHBondContact O-CG2 3.28Å; K506-T510 PolarHBondContact O-N 3.45Å; K506-T510 PolarHBondContact O-OG1 3.38Å; T510-Q512 VanDerWaalsContact C-N 3.32Å
511	N	32.8	Very low	30.4	Very low	136 Å²	136	134.6 Å²	134.6	73%	0.727	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-11.1	175.6	-79.6	-31.1	0	0	0	114	F509	F509-N511 PolarHBondContact O-N 3.31Å
512	Q	30.9	Very low	30.4	Very low	110 Å²	110	134.5 Å²	134.5	51%	0.514	64%	0.637	S	S	.	*	T	Hydrogen-bonded Turn	trans	-104.2	-30	-173.9	-141.3	163.2	0.8	0	0	113.3	F509 T510 N514 R515 D516	F509-Q512 PolarHBondContact O-N 2.91Å; T510-Q512 VanDerWaalsContact C-N 3.32Å; Q512-N514 VanDerWaalsContact C-N 3.3Å; Q512-N514 PolarHBondContact O-N 3.47Å; Q512-R515 PolarHBondContact O-N 3.24Å; Q512-R515 VanDerWaalsContact O-N 3.11Å; Q512-D516 PolarHBondContact O-N 3.3Å
513	E	29.9	Very low	30.3	Very low	141 Å²	141	132 Å²	132	66%	0.659	63%	0.63	S	S	*	*	H	α-helix	trans	-63.5	-29.4	-179.4	-85.7	-165.6	139.7	0	0	114.6	F509	F509-E513 PolarHBondContact O-N 3.41Å
514	N	32.9	Very low	30.2	Very low	150 Å²	150	132.5 Å²	132.5	80%	0.802	63%	0.633	S	S	*	*	H	α-helix	trans	-79.1	-18.2	177.5	-83.8	-25.8	0	0	0	113.7	Q512	Q512-N514 VanDerWaalsContact C-N 3.3Å; Q512-N514 PolarHBondContact O-N 3.47Å
515	R	32.7	Very low	30.3	Very low	208 Å²	208	128.1 Å²	128.1	79%	0.785	63%	0.63	S	S	*	*	H	α-helix	trans	-92	-27	177.9	-75.7	-171.7	-179.6	-177.2	2.4	113.2	Q512	Q512-R515 PolarHBondContact O-N 3.24Å; Q512-R515 VanDerWaalsContact O-N 3.11Å
516	D	34.2	Very low	30.3	Very low	59 Å²	59	135 Å²	135	32%	0.316	65%	0.653	S	S	.	*	H	α-helix	trans	-89.3	-15.2	-169.3	-74.3	-19.8	0	0	0	115.9	Q512 K518 R519 R520	Q512-D516 PolarHBondContact O-N 3.3Å; D516-K518 PolarHBondContact O-N 2.94Å; D516-K518 VanDerWaalsContact O-N 3.15Å; D516-R519 PolarHBondContact O-N 3.03Å; D516-R519 VanDerWaalsContact O-N 3.14Å; D516-R520 PolarHBondContact O-N 3.24Å
517	K	32.6	Very low	30.4	Very low	177 Å²	177	132.5 Å²	132.5	77%	0.77	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	-25.3	174.6	-77.8	-176.3	179.9	174.1	0	113.1
518	K	34.6	Very low	30.3	Very low	193 Å²	193	130.7 Å²	130.7	84%	0.839	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	-23.7	176.9	-119.3	177.7	-177.5	177.2	0	114	D516	D516-K518 PolarHBondContact O-N 2.94Å; D516-K518 VanDerWaalsContact O-N 3.15Å
519	R	31.2	Very low	30.2	Very low	191 Å²	191	135.1 Å²	135.1	72%	0.721	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-32.6	-178	-80.7	-172.5	172.5	-168.4	-1.5	113.6	D516 S521 M522	D516-R519 PolarHBondContact O-N 3.03Å; D516-R519 VanDerWaalsContact O-N 3.14Å; R519-S521 PolarHBondContact O-N 3.12Å; R519-M522 PolarHBondContact O-N 2.82Å
520	R	30.3	Very low	30.1	Very low	199 Å²	199	133.6 Å²	133.6	75%	0.751	66%	0.662	S	S	*	*	H	α-helix	trans	-64.7	-22.8	179.3	-79.4	-171.9	-171.3	171.7	4.8	114.5	D516 M522	D516-R520 PolarHBondContact O-N 3.24Å; R520-M522 VanDerWaalsContact C-N 3.29Å; R520-M522 PolarHBondContact O-N 2.78Å
521	S	31.8	Very low	29.8	Very low	93 Å²	93	132.7 Å²	132.7	65%	0.65	66%	0.658	S	S	*	*	H	α-helix	trans	-69.3	-21.1	177.8	173.6	0	0	0	0	114.2	R519	R519-S521 PolarHBondContact O-N 3.12Å
522	M	27.2	Very low	29.6	Very low	164 Å²	164	130.2 Å²	130.2	81%	0.808	65%	0.651	S	S	*	*	H	α-helix	trans	-101.6	-19.9	-177.3	-83.8	-169.3	171.6	0	0	114.2	R519 R520	R519-M522 PolarHBondContact O-N 2.82Å; R520-M522 VanDerWaalsContact C-N 3.29Å; R520-M522 PolarHBondContact O-N 2.78Å
523	I	26.9	Very low	29.5	Very low	100 Å²	100	129.1 Å²	129.1	51%	0.513	66%	0.655	S	S	.	*	H	α-helix	trans	-89	-22.4	-176.4	-61.1	177.1	0	0	0	111.3	S525 K526 L527	I523-S525 VanDerWaalsContact C-N 3.29Å; I523-S525 PolarHBondContact O-N 3.45Å; I523-K526 PolarHBondContact O-N 3.17Å; I523-L527 HydrophobicContact CG2-CD1 3.39Å
524	S	27.1	Very low	29.4	Very low	78 Å²	78	128.3 Å²	128.3	55%	0.545	66%	0.655	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.6	-20.2	-178.1	63.8	0	0	0	0	115
525	S	29.1	Very low	29.1	Very low	96 Å²	96	126.2 Å²	126.2	67%	0.671	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-11.5	-177.3	74.5	0	0	0	0	114.6	I523	I523-S525 VanDerWaalsContact C-N 3.29Å; I523-S525 PolarHBondContact O-N 3.45Å
526	K	28.4	Very low	29	Very low	195 Å²	195	124 Å²	124	85%	0.848	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.9	-19.2	178.4	-91.5	-172.9	172.5	-173.4	0	114.5	I523	I523-K526 PolarHBondContact O-N 3.17Å
527	L	27.6	Very low	28.7	Very low	94 Å²	94	127.4 Å²	127.4	49%	0.492	66%	0.657	S	S	.	*	S	Bend	trans	-96.7	1.5	-178.6	-88.6	145	0	0	0	114.4	I523 H529	I523-L527 HydrophobicContact CG2-CD1 3.39Å; L527-H529 PolarHBondContact O-N 2.95Å; L527-H529 VanDerWaalsContact O-N 3.12Å
528	S	27.6	Very low	28.6	Very low	74 Å²	74	126.1 Å²	126.1	52%	0.517	65%	0.654	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.5	-7.4	-177.5	60.1	0	0	0	0	115.1
529	H	27.2	Very low	28.2	Very low	169 Å²	169	123.4 Å²	123.4	78%	0.782	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	-17.1	180	-69.3	-49.5	0	0	0	115.2	L527	L527-H529 PolarHBondContact O-N 2.95Å; L527-H529 VanDerWaalsContact O-N 3.12Å
530	S	26.7	Very low	27.9	Very low	104 Å²	104	118.8 Å²	118.8	73%	0.727	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.7	-7	179.3	-60.5	0	0	0	0	114.7
531	C	24.5	Very low	27.9	Very low	56 Å²	56	117.2 Å²	117.2	38%	0.378	64%	0.64	S	S	.	*			trans	-104.9	26.1	179.9	-61.6	0	0	0	0	114.3	S533 L534	C531-S533 PolarHBondContact O-N 2.84Å; C531-L534 PolarHBondContact O-N 2.96Å; C531-L534 VanDerWaalsContact O-N 3.15Å
532	S	27.5	Very low	27.8	Very low	84 Å²	84	121.3 Å²	121.3	59%	0.587	65%	0.648	S	S	*	*	H	α-helix	trans	-66	-16.6	178	44	0	0	0	0	113.6
533	S	29.9	Very low	27.9	Very low	86 Å²	86	120.3 Å²	120.3	60%	0.601	65%	0.646	S	S	*	*	H	α-helix	trans	-75.2	-31.3	171.2	43.7	0	0	0	0	113.4	C531	C531-S533 PolarHBondContact O-N 2.84Å
534	L	27	Very low	28	Very low	125 Å²	125	124.2 Å²	124.2	65%	0.654	66%	0.659	S	S	*	*	H	α-helix	trans	-77.4	-35.8	-178.1	-137.4	119.2	0	0	0	112.3	C531 K536 L537	C531-L534 PolarHBondContact O-N 2.96Å; C531-L534 VanDerWaalsContact O-N 3.15Å; L534-K536 VanDerWaalsContact C-N 3.27Å; L534-K536 PolarHBondContact O-N 2.97Å; L534-L537 PolarHBondContact O-N 3.19Å
535	N	27	Very low	28	Very low	106 Å²	106	125.4 Å²	125.4	57%	0.567	67%	0.668	S	S	*	*	H	α-helix	trans	-70.8	-20.3	176.4	-77.4	-9.7	0	0	0	113.3	L537	N535-L537 VanDerWaalsContact C-N 3.26Å; N535-L537 PolarHBondContact O-N 2.91Å
536	K	30.9	Very low	27.8	Very low	162 Å²	162	124.2 Å²	124.2	70%	0.704	67%	0.67	S	S	*	*	H	α-helix	trans	-69.9	-23.2	171.8	-82.7	-174.1	177.2	-179.1	0	112.8	L534	L534-K536 VanDerWaalsContact C-N 3.27Å; L534-K536 PolarHBondContact O-N 2.97Å
537	L	28.2	Very low	27.7	Very low	129 Å²	129	122.8 Å²	122.8	68%	0.675	67%	0.667	S	S	*	*	H	α-helix	trans	-86.5	-30.4	179.7	-82.1	161.9	0	0	0	113.4	L534 N535 N539 N540	L534-L537 PolarHBondContact O-N 3.19Å; N535-L537 VanDerWaalsContact C-N 3.26Å; N535-L537 PolarHBondContact O-N 2.91Å; L537-N539 PolarHBondContact O-N 3.31Å; L537-N540 PolarHBondContact O-N 3.01Å
538	Q	30.1	Very low	27.5	Very low	150 Å²	150	127.9 Å²	127.9	70%	0.701	69%	0.687	S	S	*	*	H	α-helix	trans	-68.7	-23.1	176.5	-115.6	178.6	-6.7	0	0	113.3
539	N	26.5	Very low	27.6	Very low	137 Å²	137	130.4 Å²	130.4	73%	0.733	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	2	177.4	-70.5	-15.7	0	0	0	114.2	L537	L537-N539 PolarHBondContact O-N 3.31Å
540	N	24.8	Very low	27.5	Very low	93 Å²	93	125.2 Å²	125.2	50%	0.497	69%	0.687	S	S	.	*	G	3₁₀ helix	trans	-95.7	26.9	176.1	-84.5	-10.1	0	0	0	113.5	L537 Q542 L543	L537-N540 PolarHBondContact O-N 3.01Å; N540-Q542 PolarHBondContact O-N 2.67Å; N540-L543 PolarHBondContact O-N 3.1Å
541	E	30	Very low	27.5	Very low	166 Å²	166	130.2 Å²	130.2	78%	0.776	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-60.8	-19.1	167.9	-83.3	-173.3	157.6	0	0	112.8	L543 F544	E541-L543 VanDerWaalsContact C-N 3.3Å; E541-L543 PolarHBondContact O-N 3.47Å; E541-F544 PolarHBondContact O-N 3.46Å
542	Q	29.9	Very low	27.6	Very low	179 Å²	179	134.5 Å²	134.5	84%	0.836	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-74.3	-10.8	179.2	-82.5	-172.2	-12.8	0	0	115.3	N540	N540-Q542 PolarHBondContact O-N 2.67Å
543	L	30	Very low	27.9	Very low	144 Å²	144	138.8 Å²	138.8	75%	0.754	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-89.1	-3.5	177.7	-133	136.3	0	0	0	113.6	N540 E541	N540-L543 PolarHBondContact O-N 3.1Å; E541-L543 VanDerWaalsContact C-N 3.3Å; E541-L543 PolarHBondContact O-N 3.47Å
544	F	29	Very low	28	Very low	181 Å²	181	144.4 Å²	144.4	79%	0.794	74%	0.735	S	S	*	*	S	Bend	trans	-115.3	-2.1	-174.1	-72	-75.9	0	0	0	115.7	E541 G546	E541-F544 PolarHBondContact O-N 3.46Å; F544-G546 PolarHBondContact O-N 2.77Å
545	S	26.4	Very low	28.2	Very low	104 Å²	104	147.4 Å²	147.4	73%	0.727	74%	0.743	S	S	*	*	S	Bend	trans	-96.4	83.9	173.3	63.4	0	0	0	0	110.7
546	G	25	Very low	28.6	Very low	70 Å²	70	147.4 Å²	147.4	72%	0.722	74%	0.741	S	S	*	*	S	Bend	trans	176.6	-12	169.9	0	0	0	0	0	120.8	F544	F544-G546 PolarHBondContact O-N 2.77Å
547	Q	26.3	Very low	29	Very low	166 Å²	166	144.6 Å²	144.6	78%	0.776	73%	0.734	S	S	*	*			trans	-129.3	99.4	179.3	-69.6	-173.9	3.4	0	0	111.9	L549	Q547-L549 HydrophobicContact CB-CD1 4.04Å; Q547-L549 PolarHBondContact O-N 2.87Å
548	H	24.1	Very low	29.4	Very low	200 Å²	200	146.3 Å²	146.3	93%	0.926	74%	0.736	S	S	*	*			trans	-66.1	66.1	166.1	-147.3	-73	0	0	0	109.1	G550	H548-G550 PolarHBondContact O-N 3.23Å
549	L	28.1	Very low	30	Very low	128 Å²	128	146.4 Å²	146.4	67%	0.67	74%	0.735	S	S	*	*			trans	-83.2	106.4	177	-101.5	145.7	0	0	0	108.3	Q547 Y551	Q547-L549 HydrophobicContact CB-CD1 4.04Å; Q547-L549 PolarHBondContact O-N 2.87Å; L549-Y551 PolarHBondContact O-N 3.33Å
550	G	25.9	Very low	30.7	Very low	60 Å²	60	145.7 Å²	145.7	62%	0.619	73%	0.727	S	S	*	*			trans	-48.1	125.9	175.7	0	0	0	0	0	111.2	H548 N552	H548-G550 PolarHBondContact O-N 3.23Å; G550-N552 VanDerWaalsContact C-N 3.31Å; G550-N552 PolarHBondContact O-N 3.13Å
551	Y	26.8	Very low	31.3	Very low	209 Å²	209	144.3 Å²	144.3	82%	0.82	72%	0.718	S	S	*	*			trans	-60.5	86.9	177.3	-90.9	-102.2	0	0	0	110.4	L549 E553	L549-Y551 PolarHBondContact O-N 3.33Å; Y551-E553 VanDerWaalsContact C-N 3.29Å; Y551-E553 HydrophobicContact CD1-CG 4.21Å; Y551-E553 PolarHBondContact O-N 2.74Å
552	N	26.2	Very low	31.8	Very low	146 Å²	146	139.8 Å²	139.8	78%	0.781	69%	0.693	S	S	*	*			trans	-80.2	83.9	160.3	-84.2	-27.9	0	0	0	107.7	G550 K554 K555	G550-N552 VanDerWaalsContact C-N 3.31Å; G550-N552 PolarHBondContact O-N 3.13Å; N552-K554 PolarHBondContact O-N 3.05Å; N552-K555 PolarHBondContact O-N 3.42Å
553	E	34.6	Very low	32.5	Very low	173 Å²	173	135.9 Å²	135.9	81%	0.808	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	9.7	-177	-79.4	-175.4	151.8	0	0	115.9	Y551	Y551-E553 VanDerWaalsContact C-N 3.29Å; Y551-E553 HydrophobicContact CD1-CG 4.21Å; Y551-E553 PolarHBondContact O-N 2.74Å
554	K	32.3	Very low	33.2	Very low	204 Å²	204	133.6 Å²	133.6	89%	0.887	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.1	1	177.5	-69.4	-167.5	177.2	-172.7	0	115.5	N552	N552-K554 PolarHBondContact O-N 3.05Å
555	K	29.5	Very low	33.8	Very low	189 Å²	189	128.4 Å²	128.4	82%	0.822	64%	0.644	S	S	*	*			trans	-111.3	97.5	173.2	-75.5	-173.5	176.5	-175.3	0	109.8	N552 N557	N552-K555 PolarHBondContact O-N 3.42Å; K555-N557 PolarHBondContact O-N 3.25Å
556	I	36.7	Very low	34.6	Very low	105 Å²	105	127.2 Å²	127.2	54%	0.538	63%	0.625	S	S	.	*			trans	-57.3	104.3	163.8	-63.9	173.2	0	0	0	106.2	F558 M561	I556-F558 PolarHBondContact O-N 3.03Å; I556-M561 HydrophobicContact CG2-CB 4.5Å; I556-M561 HydrophobicContact CG2-CE 3.5Å; I556-M561 VanDerWaalsContact CG2-CE 3.5Å; I556-M561 HydrophobicContact CG2-SD 4.26Å
557	N	38.9	Very low	35.5	Very low	103 Å²	103	128.2 Å²	128.2	55%	0.551	61%	0.613	S	S	*	*			trans	-67.1	102	177.3	-175.9	-8.1	0	0	0	107.3	K555 K559 H560 M561	K555-N557 PolarHBondContact O-N 3.25Å; N557-K559 PolarHBondContact O-N 2.99Å; N557-K559 VanDerWaalsContact OD1-CB 3.26Å; N557-K559 WeakPolarHBondContact OD1-CB 3.41Å; N557-K559 PolarHBondContact OD1-N 2.84Å; N557-H560 HydrophobicContact CB-CB 4.06Å; N557-H560 WeakPolarHBondContact O-CA 3.48Å; N557-H560 WeakPolarHBondContact O-CB 3.22Å; N557-H560 PolarHBondContact O-N 2.68Å; N557-M561 PolarHBondContact O-N 2.96Å; N557-M561 VanDerWaalsContact O-N 3.09Å
558	F	37.3	Very low	36.2	Very low	165 Å²	165	122.7 Å²	122.7	72%	0.724	59%	0.593	S	S	*	*	H	α-helix	trans	-53.6	-30.8	-177.7	-150.1	-91.3	0	0	0	111.7	I556 M561 R562	I556-F558 PolarHBondContact O-N 3.03Å; F558-M561 PolarHBondContact O-N 2.8Å; F558-R562 VanDerWaalsContact O-CB 3.3Å; F558-R562 WeakPolarHBondContact O-CB 3.37Å; F558-R562 PolarHBondContact O-N 2.85Å
559	K	41.9	Very low	37.1	Very low	153 Å²	153	113.8 Å²	113.8	67%	0.665	55%	0.552	S	S	*	*	H	α-helix	trans	-63.5	-43.8	173	-167	175.4	-178.2	172.8	0	112.1	N557 R562 E563	N557-K559 PolarHBondContact O-N 2.99Å; N557-K559 VanDerWaalsContact OD1-CB 3.26Å; N557-K559 WeakPolarHBondContact OD1-CB 3.41Å; N557-K559 PolarHBondContact OD1-N 2.84Å; K559-R562 PolarHBondContact O-N 3.24Å; K559-E563 WeakPolarHBondContact O-CG 3.34Å; K559-E563 PolarHBondContact O-N 3.02Å
560	H	42	Very low	37.8	Very low	122 Å²	122	112.1 Å²	112.1	57%	0.565	54%	0.541	S	S	*	.	H	α-helix	trans	-67	-41.4	177.7	-169.7	67.6	0	0	0	111.8	N557 E563 L564	N557-H560 HydrophobicContact CB-CB 4.06Å; N557-H560 WeakPolarHBondContact O-CA 3.48Å; N557-H560 WeakPolarHBondContact O-CB 3.22Å; N557-H560 PolarHBondContact O-N 2.68Å; H560-E563 PolarHBondContact O-N 3.33Å; H560-L564 WeakPolarHBondContact NE2-CD1 3.31Å; H560-L564 WeakPolarHBondContact O-CB 3.46Å; H560-L564 PolarHBondContact O-N 2.97Å
561	M	37.4	Very low	38.7	Very low	63 Å²	63	114.9 Å²	114.9	31%	0.31	54%	0.538	S	S	.	.	H	α-helix	trans	-64.2	-40.3	175.3	-172.7	175.2	-83.5	0	0	111.8	I473 I556 N557 F558 L564 L565	I473-M561 HydrophobicContact CG1-CE 4.46Å; I556-M561 HydrophobicContact CG2-CB 4.5Å; I556-M561 HydrophobicContact CG2-CE 3.5Å; I556-M561 VanDerWaalsContact CG2-CE 3.5Å; I556-M561 HydrophobicContact CG2-SD 4.26Å; N557-M561 PolarHBondContact O-N 2.96Å; N557-M561 VanDerWaalsContact O-N 3.09Å; F558-M561 PolarHBondContact O-N 2.8Å; M561-L564 PolarHBondContact O-N 2.59Å; M561-L565 HydrophobicContact CG-CD1 4.29Å; M561-L565 WeakPolarHBondContact O-CB 3.31Å; M561-L565 WeakPolarHBondContact O-CG 3.23Å; M561-L565 PolarHBondContact O-N 2.92Å
562	R	40	Very low	39.3	Very low	71 Å²	71	106.2 Å²	106.2	27%	0.268	51%	0.505	S	S	.	.	H	α-helix	trans	-65.8	-41	175.8	-166.7	-179.5	-173	171.3	5.7	112.3	F558 K559 L565 K566 I656 N659	F558-R562 VanDerWaalsContact O-CB 3.3Å; F558-R562 WeakPolarHBondContact O-CB 3.37Å; F558-R562 PolarHBondContact O-N 2.85Å; K559-R562 PolarHBondContact O-N 3.24Å; R562-L565 PolarHBondContact O-N 3.23Å; R562-K566 WeakPolarHBondContact O-CB 3.29Å; R562-K566 PolarHBondContact O-N 2.91Å; R562-I656 HydrophobicContact CG-CG2 4.01Å; R562-I656 VanDerWaalsContact CZ-O 3.29Å; R562-I656 PolarHBondContact NE-O 2.93Å; R562-I656 PolarHBondContact NH2-O 3.46Å; R562-N659 PolarHBondContact NH2-O 3.45Å
563	E	45.2	Very low	40.1	Very low	98 Å²	98	100.5 Å²	100.5	46%	0.458	48%	0.475	S	S	.	.	H	α-helix	trans	-64.2	-42.7	174.1	-74.6	-64.6	157.7	0	0	111.9	K559 H560 L565 K566 L567	K559-E563 WeakPolarHBondContact O-CG 3.34Å; K559-E563 PolarHBondContact O-N 3.02Å; H560-E563 PolarHBondContact O-N 3.33Å; E563-L565 VanDerWaalsContact C-N 3.35Å; E563-L565 PolarHBondContact O-N 3.04Å; E563-K566 PolarHBondContact O-N 3.07Å; E563-L567 WeakPolarHBondContact O-CB 3.38Å; E563-L567 WeakPolarHBondContact O-CG 3.49Å; E563-L567 PolarHBondContact O-N 3.31Å
564	L	43.2	Very low	40.6	Very low	95 Å²	95	97.7 Å²	97.7	50%	0.497	46%	0.462	S	S	.	.	H	α-helix	trans	-60.2	-43.1	173.3	-93.4	153.4	0	0	0	112.1	H560 M561 L567 S568	H560-L564 WeakPolarHBondContact NE2-CD1 3.31Å; H560-L564 WeakPolarHBondContact O-CB 3.46Å; H560-L564 PolarHBondContact O-N 2.97Å; M561-L564 PolarHBondContact O-N 2.59Å; L564-L567 PolarHBondContact O-N 3.45Å; L564-S568 WeakPolarHBondContact O-CB 3.39Å; L564-S568 PolarHBondContact O-N 2.82Å
565	L	41.2	Very low	41.1	Very low	73 Å²	73	93.7 Å²	93.7	38%	0.382	45%	0.446	S	S	.	.	H	α-helix	trans	-63.1	-43.1	174.2	-82.3	159.9	0	0	0	111.6	M561 R562 E563 S568 H569	M561-L565 HydrophobicContact CG-CD1 4.29Å; M561-L565 WeakPolarHBondContact O-CB 3.31Å; M561-L565 WeakPolarHBondContact O-CG 3.23Å; M561-L565 PolarHBondContact O-N 2.92Å; R562-L565 PolarHBondContact O-N 3.23Å; E563-L565 VanDerWaalsContact C-N 3.35Å; E563-L565 PolarHBondContact O-N 3.04Å; L565-S568 PolarHBondContact O-N 3.24Å; L565-S568 PolarHBondContact O-OG 2.9Å; L565-H569 PolarHBondContact O-N 3.31Å; L565-H569 PolarHBondContact O-ND1 2.82Å
566	K	43.2	Very low	41.5	Very low	78 Å²	78	85.7 Å²	85.7	34%	0.339	41%	0.412	S	S	.	.	H	α-helix	trans	-61.4	-46.7	177.2	-171.2	174.8	-179.8	172.9	0	111.1	R562 E563 S568 H569 Q570 L653	R562-K566 WeakPolarHBondContact O-CB 3.29Å; R562-K566 PolarHBondContact O-N 2.91Å; E563-K566 PolarHBondContact O-N 3.07Å; K566-S568 PolarHBondContact O-N 2.86Å; K566-H569 PolarHBondContact O-N 3.44Å; K566-Q570 WeakPolarHBondContact O-CB 3.43Å; K566-Q570 PolarHBondContact O-N 3.42Å; K566-L653 HydrophobicContact CG-CD2 4.24Å
567	L	45.1	Very low	41.8	Very low	91 Å²	91	85.7 Å²	85.7	48%	0.476	41%	0.406	S	S	.	.	H	α-helix	trans	-60.9	-42.9	175.5	-73.1	168.7	0	0	0	112.1	E563 L564 Q570 Q571	E563-L567 WeakPolarHBondContact O-CB 3.38Å; E563-L567 WeakPolarHBondContact O-CG 3.49Å; E563-L567 PolarHBondContact O-N 3.31Å; L564-L567 PolarHBondContact O-N 3.45Å; L567-Q570 PolarHBondContact O-N 2.86Å; L567-Q571 WeakPolarHBondContact O-CB 2.92Å; L567-Q571 VanDerWaalsContact O-CG 3.32Å; L567-Q571 WeakPolarHBondContact O-CG 3.31Å; L567-Q571 PolarHBondContact O-N 2.86Å
568	S	41	Very low	42	Very low	50 Å²	50	86.5 Å²	86.5	35%	0.35	41%	0.406	S	S	.	.	H	α-helix	trans	-66.8	-40.9	179.7	75.6	0	0	0	0	112	L564 L565 K566 L572	L564-S568 WeakPolarHBondContact O-CB 3.39Å; L564-S568 PolarHBondContact O-N 2.82Å; L565-S568 PolarHBondContact O-N 3.24Å; L565-S568 PolarHBondContact O-OG 2.9Å; K566-S568 PolarHBondContact O-N 2.86Å; S568-L572 VanDerWaalsContact O-CB 3.25Å; S568-L572 WeakPolarHBondContact O-CB 3.44Å; S568-L572 PolarHBondContact O-N 3.28Å
569	H	42.1	Very low	42.1	Very low	13 Å²	13	80.9 Å²	80.9	6%	0.06	39%	0.385	C	S	.	.	H	α-helix	trans	-68.7	-38.2	177	-73.6	73.9	0	0	0	111.2	L565 K566 L572 L573 R652 L653	L565-H569 PolarHBondContact O-N 3.31Å; L565-H569 PolarHBondContact O-ND1 2.82Å; K566-H569 PolarHBondContact O-N 3.44Å; H569-L572 WeakPolarHBondContact O-CB 3.49Å; H569-L572 PolarHBondContact O-N 3.1Å; H569-L573 WeakPolarHBondContact O-CB 3.18Å; H569-L573 PolarHBondContact O-N 2.95Å; H569-R652 PolarHBondContact NE2-NH2 2.97Å; H569-L653 HydrophobicContact CB-CD1 3.97Å; H569-L653 HydrophobicContact CB-CD2 3.75Å; H569-L653 HydrophobicContact CB-CG 3.73Å
570	Q	43.7	Very low	42.1	Very low	93 Å²	93	75.9 Å²	75.9	44%	0.435	37%	0.368	S	S	.	.	H	α-helix	trans	-66.3	-45.3	176.1	-173.5	174	-4.6	0	0	112.3	K566 L567 L572 L573 E574	K566-Q570 WeakPolarHBondContact O-CB 3.43Å; K566-Q570 PolarHBondContact O-N 3.42Å; L567-Q570 PolarHBondContact O-N 2.86Å; Q570-L572 VanDerWaalsContact C-N 3.25Å; Q570-L572 PolarHBondContact O-N 2.64Å; Q570-L573 WeakPolarHBondContact O-CB 3.48Å; Q570-L573 PolarHBondContact O-N 3.48Å; Q570-E574 PolarHBondContact O-N 3.44Å
571	Q	43.7	Very low	42.1	Very low	119 Å²	119	76.3 Å²	76.3	56%	0.556	37%	0.37	S	S	*	.	H	α-helix	trans	-60.4	-38.2	174.4	-75.9	178.9	-11.4	0	0	111.9	L567 Q575	L567-Q571 WeakPolarHBondContact O-CB 2.92Å; L567-Q571 VanDerWaalsContact O-CG 3.32Å; L567-Q571 WeakPolarHBondContact O-CG 3.31Å; L567-Q571 PolarHBondContact O-N 2.86Å; Q571-Q575 WeakPolarHBondContact O-CG 3.4Å; Q571-Q575 PolarHBondContact O-N 2.97Å
572	L	40.9	Very low	42.1	Very low	27 Å²	27	79.1 Å²	79.1	14%	0.141	38%	0.384	C	S	.	.	H	α-helix	trans	-66.5	-42.5	176.5	-179.4	64.4	0	0	0	111.8	L462 S568 H569 Q570 E574 Q575 I576 L649	L462-L572 HydrophobicContact CD1-CD1 3.24Å; L462-L572 HydrophobicContact CD1-CD2 3.56Å; L462-L572 HydrophobicContact CD1-CG 4.03Å; S568-L572 VanDerWaalsContact O-CB 3.25Å; S568-L572 WeakPolarHBondContact O-CB 3.44Å; S568-L572 PolarHBondContact O-N 3.28Å; H569-L572 WeakPolarHBondContact O-CB 3.49Å; H569-L572 PolarHBondContact O-N 3.1Å; Q570-L572 VanDerWaalsContact C-N 3.25Å; Q570-L572 PolarHBondContact O-N 2.64Å; L572-E574 VanDerWaalsContact C-N 3.34Å; L572-E574 PolarHBondContact O-N 2.97Å; L572-Q575 PolarHBondContact O-N 2.88Å; L572-I576 HydrophobicContact CD1-CD1 4.2Å; L572-I576 HydrophobicContact CD1-CG1 4.49Å; L572-I576 HydrophobicContact CG-CD1 3.99Å; L572-I576 VanDerWaalsContact O-CG1 3.31Å; L572-I576 WeakPolarHBondContact O-CG1 3.47Å; L572-I576 PolarHBondContact O-N 3.4Å; L572-L649 HydrophobicContact CD2-CD1 3.49Å; L572-L649 VanDerWaalsContact CD2-CD1 3.49Å; L572-L649 HydrophobicContact CD2-CD2 3.56Å; L572-L649 HydrophobicContact CD2-CG 4.18Å; L572-L649 HydrophobicContact CG-CD1 3.76Å
573	L	42.6	Very low	42.1	Very low	26 Å²	26	76.6 Å²	76.6	14%	0.136	38%	0.376	C	S	.	.	H	α-helix	trans	-60.7	-44.8	176.1	-155.4	86.9	0	0	0	111	H569 Q570 Q575 I576 Y577 L649 E650 L653	H569-L573 WeakPolarHBondContact O-CB 3.18Å; H569-L573 PolarHBondContact O-N 2.95Å; Q570-L573 WeakPolarHBondContact O-CB 3.48Å; Q570-L573 PolarHBondContact O-N 3.48Å; L573-Q575 PolarHBondContact O-N 3.31Å; L573-I576 PolarHBondContact O-N 3.13Å; L573-Y577 HydrophobicContact CD2-CD2 4.24Å; L573-Y577 HydrophobicContact CD2-CE2 3.41Å; L573-Y577 VanDerWaalsContact CD2-CE2 3.41Å; L573-Y577 HydrophobicContact CG-CD2 4.1Å; L573-Y577 HydrophobicContact CG-CE2 3.64Å; L573-Y577 VanDerWaalsContact O-CD2 3.28Å; L573-Y577 WeakPolarHBondContact O-CD2 3.32Å; L573-Y577 PolarHBondContact O-N 2.73Å; L573-L649 HydrophobicContact CD1-CB 3.89Å; L573-E650 HydrophobicContact CD1-CG 3.85Å; L573-E650 HydrophobicContact CD2-CG 4.44Å; L573-L653 HydrophobicContact CD1-CD1 4.46Å
574	E	45.3	Very low	41.9	Very low	114 Å²	114	73.2 Å²	73.2	53%	0.533	37%	0.367	S	S	.	.	H	α-helix	trans	-60.5	-42.7	175.1	-75.9	179.4	-179.7	0	0	112.3	Q570 L572 I576 Y577 H578	Q570-E574 PolarHBondContact O-N 3.44Å; L572-E574 VanDerWaalsContact C-N 3.34Å; L572-E574 PolarHBondContact O-N 2.97Å; E574-I576 VanDerWaalsContact C-N 3.35Å; E574-I576 PolarHBondContact O-N 3.12Å; E574-Y577 PolarHBondContact O-N 3.39Å; E574-H578 PolarHBondContact O-N 2.88Å
575	Q	41.7	Very low	41.7	Very low	119 Å²	119	71 Å²	71	56%	0.556	36%	0.363	S	S	*	.	H	α-helix	trans	-61.9	-43.1	175.5	-75.2	177.7	3.6	0	0	111.7	Q571 L572 L573 H578 V579	Q571-Q575 WeakPolarHBondContact O-CG 3.4Å; Q571-Q575 PolarHBondContact O-N 2.97Å; L572-Q575 PolarHBondContact O-N 2.88Å; L573-Q575 PolarHBondContact O-N 3.31Å; Q575-H578 PolarHBondContact O-N 2.92Å; Q575-V579 WeakPolarHBondContact O-CG2 3.41Å; Q575-V579 PolarHBondContact O-N 3.37Å
576	I	39.2	Very low	41.4	Very low	21 Å²	21	68.7 Å²	68.7	11%	0.108	35%	0.354	C	S	.	.	H	α-helix	trans	-69	-40.4	179.8	-65	165.8	0	0	0	110.9	L572 L573 E574 H578 V579 T580 L642 I646 L649	L572-I576 HydrophobicContact CD1-CD1 4.2Å; L572-I576 HydrophobicContact CD1-CG1 4.49Å; L572-I576 HydrophobicContact CG-CD1 3.99Å; L572-I576 VanDerWaalsContact O-CG1 3.31Å; L572-I576 WeakPolarHBondContact O-CG1 3.47Å; L572-I576 PolarHBondContact O-N 3.4Å; L573-I576 PolarHBondContact O-N 3.13Å; E574-I576 VanDerWaalsContact C-N 3.35Å; E574-I576 PolarHBondContact O-N 3.12Å; I576-H578 PolarHBondContact O-N 2.91Å; I576-V579 PolarHBondContact O-N 3.43Å; I576-T580 WeakPolarHBondContact O-CB 3.33Å; I576-T580 PolarHBondContact O-N 3.21Å; I576-T580 PolarHBondContact O-OG1 3.02Å; I576-L642 HydrophobicContact CG2-CD2 4.47Å; I576-L642 HydrophobicContact CG2-CG 4.35Å; I576-I646 HydrophobicContact CB-CG1 4.4Å; I576-I646 HydrophobicContact CG2-CD1 3.72Å; I576-I646 HydrophobicContact CG2-CG1 3.32Å; I576-L649 HydrophobicContact CD1-CD1 3.28Å
577	Y	43.1	Very low	41.3	Very low	106 Å²	106	66.6 Å²	66.6	42%	0.416	35%	0.347	S	S	.	.	H	α-helix	trans	-61.4	-43	173	-74.9	-48	0	0	0	111.8	L573 E574 V579 T580 E581 I646 E650	L573-Y577 HydrophobicContact CD2-CD2 4.24Å; L573-Y577 HydrophobicContact CD2-CE2 3.41Å; L573-Y577 VanDerWaalsContact CD2-CE2 3.41Å; L573-Y577 HydrophobicContact CG-CD2 4.1Å; L573-Y577 HydrophobicContact CG-CE2 3.64Å; L573-Y577 VanDerWaalsContact O-CD2 3.28Å; L573-Y577 WeakPolarHBondContact O-CD2 3.32Å; L573-Y577 PolarHBondContact O-N 2.73Å; E574-Y577 PolarHBondContact O-N 3.39Å; Y577-V579 PolarHBondContact O-N 3.32Å; Y577-T580 WeakPolarHBondContact O-CB 3.42Å; Y577-T580 PolarHBondContact O-N 3.34Å; Y577-E581 WeakPolarHBondContact O-CB 3.39Å; Y577-E581 PolarHBondContact O-N 3.45Å; Y577-I646 HydrophobicContact CE1-CG2 4.17Å; Y577-E650 PolarHBondContact OH-OE1 3.49Å
578	H	42.9	Very low	41	Very low	120 Å²	120	67.3 Å²	67.3	56%	0.556	35%	0.351	S	S	*	.	H	α-helix	trans	-63	-39.8	175.2	-100.3	-11.7	0	0	0	112.9	E574 Q575 I576 T580 E581 M582	E574-H578 PolarHBondContact O-N 2.88Å; Q575-H578 PolarHBondContact O-N 2.92Å; I576-H578 PolarHBondContact O-N 2.91Å; H578-T580 VanDerWaalsContact C-N 3.33Å; H578-E581 IonicContact CE1-OE2 3.88Å; H578-E581 IonicContact ND1-OE2 3.34Å; H578-E581 PolarHBondContact ND1-OE2 2.69Å; H578-E581 PolarHBondContact O-N 2.91Å; H578-M582 WeakPolarHBondContact O-CB 3.31Å; H578-M582 VanDerWaalsContact O-CG 3.29Å; H578-M582 WeakPolarHBondContact O-CG 3.26Å; H578-M582 PolarHBondContact O-N 3.2Å
579	V	38.4	Very low	40.7	Very low	46 Å²	46	68.3 Å²	68.3	28%	0.279	36%	0.355	S	S	.	.	H	α-helix	trans	-63.6	-42.8	173.7	172.5	0	0	0	0	110.4	F451 Q575 I576 Y577 E581 M582 V583	F451-V579 HydrophobicContact CE2-CG1 4.25Å; Q575-V579 WeakPolarHBondContact O-CG2 3.41Å; Q575-V579 PolarHBondContact O-N 3.37Å; I576-V579 PolarHBondContact O-N 3.43Å; Y577-V579 PolarHBondContact O-N 3.32Å; V579-E581 PolarHBondContact O-N 2.96Å; V579-M582 HydrophobicContact CG2-CE 4.1Å; V579-M582 PolarHBondContact O-N 3.04Å; V579-V583 HydrophobicContact CG1-CG2 4.33Å; V579-V583 WeakPolarHBondContact O-CB 3.29Å; V579-V583 WeakPolarHBondContact O-CG2 3.28Å; V579-V583 PolarHBondContact O-N 3.45Å
580	T	42.2	Very low	40.3	Very low	49 Å²	49	70.7 Å²	70.7	30%	0.301	37%	0.368	S	S	.	.	H	α-helix	trans	-62.6	-42.8	177.7	-50	0	0	0	0	111.7	I576 Y577 H578 V583 G584 L642	I576-T580 WeakPolarHBondContact O-CB 3.33Å; I576-T580 PolarHBondContact O-N 3.21Å; I576-T580 PolarHBondContact O-OG1 3.02Å; Y577-T580 WeakPolarHBondContact O-CB 3.42Å; Y577-T580 PolarHBondContact O-N 3.34Å; H578-T580 VanDerWaalsContact C-N 3.33Å; T580-V583 WeakPolarHBondContact O-CB 3.43Å; T580-V583 PolarHBondContact O-N 3.06Å; T580-G584 PolarHBondContact O-N 3Å; T580-L642 HydrophobicContact CG2-CD2 4.34Å; T580-L642 WeakPolarHBondContact OG1-CD2 3.38Å
581	E	42.3	Very low	40	Very low	131 Å²	131	68.4 Å²	68.4	61%	0.612	36%	0.358	S	S	*	.	H	α-helix	trans	-66.3	-44	177.1	-171.9	-177.8	-167.5	0	0	111.5	Y577 H578 V579 V583 G584 A585	Y577-E581 WeakPolarHBondContact O-CB 3.39Å; Y577-E581 PolarHBondContact O-N 3.45Å; H578-E581 IonicContact CE1-OE2 3.88Å; H578-E581 IonicContact ND1-OE2 3.34Å; H578-E581 PolarHBondContact ND1-OE2 2.69Å; H578-E581 PolarHBondContact O-N 2.91Å; V579-E581 PolarHBondContact O-N 2.96Å; E581-V583 VanDerWaalsContact C-N 3.28Å; E581-V583 PolarHBondContact O-N 3.29Å; E581-G584 PolarHBondContact O-N 2.81Å; E581-A585 WeakPolarHBondContact O-CB 2.9Å; E581-A585 PolarHBondContact O-N 3.06Å
582	M	37.9	Very low	39.6	Very low	121 Å²	121	68.6 Å²	68.6	60%	0.596	36%	0.359	S	S	*	.	H	α-helix	trans	-62	-36.9	173.9	-74.5	-173.5	-62.4	0	0	112	H578 V579 A586	H578-M582 WeakPolarHBondContact O-CB 3.31Å; H578-M582 VanDerWaalsContact O-CG 3.29Å; H578-M582 WeakPolarHBondContact O-CG 3.26Å; H578-M582 PolarHBondContact O-N 3.2Å; V579-M582 HydrophobicContact CG2-CE 4.1Å; V579-M582 PolarHBondContact O-N 3.04Å; M582-A586 VanDerWaalsContact O-CB 3.26Å; M582-A586 WeakPolarHBondContact O-CB 3.29Å; M582-A586 PolarHBondContact O-N 3.43Å
583	V	39.2	Very low	39.2	Very low	18 Å²	18	72 Å²	72	11%	0.109	38%	0.378	C	S	.	.	H	α-helix	trans	-66.7	-44.6	174.8	171.1	0	0	0	0	110.7	F451 V579 T580 E581 A586 L587	F451-V583 HydrophobicContact CD2-CG2 3.68Å; F451-V583 HydrophobicContact CE1-CG2 4.49Å; F451-V583 HydrophobicContact CE2-CB 4.37Å; F451-V583 HydrophobicContact CE2-CG1 4.43Å; F451-V583 HydrophobicContact CE2-CG2 3.09Å; F451-V583 HydrophobicContact CZ-CG1 4.25Å; F451-V583 HydrophobicContact CZ-CG2 3.57Å; V579-V583 HydrophobicContact CG1-CG2 4.33Å; V579-V583 WeakPolarHBondContact O-CB 3.29Å; V579-V583 WeakPolarHBondContact O-CG2 3.28Å; V579-V583 PolarHBondContact O-N 3.45Å; T580-V583 WeakPolarHBondContact O-CB 3.43Å; T580-V583 PolarHBondContact O-N 3.06Å; E581-V583 VanDerWaalsContact C-N 3.28Å; E581-V583 PolarHBondContact O-N 3.29Å; V583-A586 PolarHBondContact O-N 2.9Å; V583-L587 HydrophobicContact CG1-CD1 3.92Å; V583-L587 HydrophobicContact CG1-CG 4.44Å; V583-L587 WeakPolarHBondContact O-CB 3.35Å; V583-L587 WeakPolarHBondContact O-CG 3.31Å; V583-L587 PolarHBondContact O-N 3.39Å
584	G	41.3	Very low	38.7	Very low	27 Å²	27	73.4 Å²	73.4	28%	0.278	39%	0.392	S	S	.	.	H	α-helix	trans	-57.5	-49.7	173.3	0	0	0	0	0	111.7	T580 E581 A586 L587 D588	T580-G584 PolarHBondContact O-N 3Å; E581-G584 PolarHBondContact O-N 2.81Å; G584-A586 PolarHBondContact O-N 2.91Å; G584-L587 PolarHBondContact O-N 2.98Å; G584-D588 WeakPolarHBondContact O-CB 3.46Å; G584-D588 VanDerWaalsContact O-CG 3.23Å; G584-D588 PolarHBondContact O-N 3.43Å
585	A	38.9	Very low	38.1	Very low	50 Å²	50	71.7 Å²	71.7	41%	0.413	39%	0.386	S	S	.	.	H	α-helix	trans	-64.7	-38.3	179.5	0	0	0	0	0	113.3	E581 D588 T589	E581-A585 WeakPolarHBondContact O-CB 2.9Å; E581-A585 PolarHBondContact O-N 3.06Å; A585-D588 PolarHBondContact O-N 3.22Å; A585-T589 WeakPolarHBondContact O-CB 3.27Å; A585-T589 PolarHBondContact O-N 3.12Å; A585-T589 PolarHBondContact O-OG1 2.94Å
586	A	35.3	Very low	37.7	Very low	23 Å²	23	69.8 Å²	69.8	19%	0.19	38%	0.38	C	S	.	.	H	α-helix	trans	-67.2	-41.6	175.5	0	0	0	0	0	111.5	Y447 M582 V583 G584 D588 T589 D590	Y447-A586 HydrophobicContact CE1-CB 4.45Å; Y447-A586 HydrophobicContact CE2-CB 4.48Å; Y447-A586 WeakPolarHBondContact OH-CB 3.28Å; M582-A586 VanDerWaalsContact O-CB 3.26Å; M582-A586 WeakPolarHBondContact O-CB 3.29Å; M582-A586 PolarHBondContact O-N 3.43Å; V583-A586 PolarHBondContact O-N 2.9Å; G584-A586 PolarHBondContact O-N 2.91Å; A586-D588 VanDerWaalsContact C-N 3.33Å; A586-T589 PolarHBondContact O-N 2.96Å; A586-D590 WeakPolarHBondContact O-CB 3.3Å; A586-D590 PolarHBondContact O-N 3.48Å
587	L	40.1	Very low	37.2	Very low	34 Å²	34	70.5 Å²	70.5	18%	0.178	39%	0.392	C	S	.	.	H	α-helix	trans	-62.2	-41.2	173.1	-71.5	169.8	0	0	0	111.4	V443 V583 G584 M591	V443-L587 HydrophobicContact CG1-CD2 3.7Å; V443-L587 HydrophobicContact CG2-CD2 3.99Å; V583-L587 HydrophobicContact CG1-CD1 3.92Å; V583-L587 HydrophobicContact CG1-CG 4.44Å; V583-L587 WeakPolarHBondContact O-CB 3.35Å; V583-L587 WeakPolarHBondContact O-CG 3.31Å; V583-L587 PolarHBondContact O-N 3.39Å; G584-L587 PolarHBondContact O-N 2.98Å; L587-M591 VanDerWaalsContact O-CB 3.28Å; L587-M591 WeakPolarHBondContact O-CB 3.44Å; L587-M591 VanDerWaalsContact O-CG 3.25Å; L587-M591 WeakPolarHBondContact O-CG 3.35Å; L587-M591 PolarHBondContact O-N 3.22Å
588	D	38.3	Very low	36.7	Very low	106 Å²	106	70 Å²	70	57%	0.567	40%	0.4	S	S	*	.	H	α-helix	trans	-63.5	-43.1	176.7	-72.3	-21.9	0	0	0	111.6	G584 A585 A586 M591 E592	G584-D588 WeakPolarHBondContact O-CB 3.46Å; G584-D588 VanDerWaalsContact O-CG 3.23Å; G584-D588 PolarHBondContact O-N 3.43Å; A585-D588 PolarHBondContact O-N 3.22Å; A586-D588 VanDerWaalsContact C-N 3.33Å; D588-M591 PolarHBondContact O-N 3.4Å; D588-E592 WeakPolarHBondContact O-CB 3.34Å; D588-E592 PolarHBondContact O-N 2.92Å
589	T	36.6	Very low	36.2	Very low	72 Å²	72	69.1 Å²	69.1	44%	0.442	40%	0.396	S	S	.	.	H	α-helix	trans	-67.2	-43.6	179.4	-48.7	0	0	0	0	111.1	A585 A586 E592 D593	A585-T589 WeakPolarHBondContact O-CB 3.27Å; A585-T589 PolarHBondContact O-N 3.12Å; A585-T589 PolarHBondContact O-OG1 2.94Å; A586-T589 PolarHBondContact O-N 2.96Å; T589-E592 PolarHBondContact O-N 3.26Å; T589-D593 WeakPolarHBondContact O-CB 3.4Å; T589-D593 PolarHBondContact O-N 3.46Å
590	D	33.5	Very low	35.9	Very low	62 Å²	62	70.9 Å²	70.9	33%	0.332	40%	0.403	S	S	.	.	H	α-helix	trans	-69.4	-34.5	177.4	-80.8	-6.8	0	0	0	111.9	A586 D593 A594	A586-D590 WeakPolarHBondContact O-CB 3.3Å; A586-D590 PolarHBondContact O-N 3.48Å; D590-D593 PolarHBondContact O-N 3.35Å; D590-A594 WeakPolarHBondContact O-CB 3.38Å; D590-A594 PolarHBondContact O-N 2.97Å
591	M	36.1	Very low	35.3	Very low	45 Å²	45	71.4 Å²	71.4	22%	0.222	41%	0.409	C	S	.	.	H	α-helix	trans	-61.5	-45.8	169.9	-82	-175	159	0	0	110.7	W442 L587 D588 A594 I595	W442-M591 HydrophobicContact CB-CE 3.99Å; W442-M591 HydrophobicContact CE3-CE 4.12Å; W442-M591 HydrophobicContact CE3-CG 4.43Å; L587-M591 VanDerWaalsContact O-CB 3.28Å; L587-M591 WeakPolarHBondContact O-CB 3.44Å; L587-M591 VanDerWaalsContact O-CG 3.25Å; L587-M591 WeakPolarHBondContact O-CG 3.35Å; L587-M591 PolarHBondContact O-N 3.22Å; D588-M591 PolarHBondContact O-N 3.4Å; M591-A594 PolarHBondContact O-N 3.44Å; M591-I595 WeakPolarHBondContact O-CB 3.49Å; M591-I595 VanDerWaalsContact O-CD1 3.29Å; M591-I595 WeakPolarHBondContact O-CD1 3.44Å; M591-I595 WeakPolarHBondContact O-CG1 3.45Å; M591-I595 PolarHBondContact O-N 2.98Å
592	E	35.4	Very low	34.9	Very low	124 Å²	124	67.3 Å²	67.3	58%	0.579	40%	0.398	S	S	*	.	H	α-helix	trans	-61.6	-44.7	176.8	-168.9	170.3	-169.8	0	0	111.4	D588 T589 I595 N596	D588-E592 WeakPolarHBondContact O-CB 3.34Å; D588-E592 PolarHBondContact O-N 2.92Å; T589-E592 PolarHBondContact O-N 3.26Å; E592-I595 PolarHBondContact O-N 3.43Å; E592-N596 WeakPolarHBondContact O-CB 3.45Å; E592-N596 PolarHBondContact O-N 2.95Å; E592-N596 PolarHBondContact O-ND2 3.27Å; E592-N596 VanDerWaalsContact O-ND2 3.07Å
593	D	33.6	Very low	34.9	Very low	99 Å²	99	65 Å²	65	53%	0.529	39%	0.39	S	S	.	.	H	α-helix	trans	-68.1	-38.7	178.3	-80.7	-16	0	0	0	113	T589 D590 N596 G597	T589-D593 WeakPolarHBondContact O-CB 3.4Å; T589-D593 PolarHBondContact O-N 3.46Å; D590-D593 PolarHBondContact O-N 3.35Å; D593-N596 PolarHBondContact O-N 3.43Å; D593-G597 PolarHBondContact O-N 3.02Å
594	A	32.5	Very low	34.6	Very low	54 Å²	54	66.7 Å²	66.7	45%	0.446	40%	0.402	S	S	.	.	H	α-helix	trans	-67.2	-41.5	175	0	0	0	0	0	111.6	D590 M591 N596 G597 V598	D590-A594 WeakPolarHBondContact O-CB 3.38Å; D590-A594 PolarHBondContact O-N 2.97Å; M591-A594 PolarHBondContact O-N 3.44Å; A594-N596 VanDerWaalsContact C-N 3.33Å; A594-G597 PolarHBondContact O-N 3.45Å; A594-V598 VanDerWaalsContact O-CG2 3.3Å; A594-V598 WeakPolarHBondContact O-CG2 3.39Å; A594-V598 PolarHBondContact O-N 3.24Å
595	I	31.6	Very low	34.4	Very low	78 Å²	78	69.3 Å²	69.3	40%	0.4	42%	0.416	S	S	.	.	H	α-helix	trans	-60.3	-45.9	173.2	-69.3	162.9	0	0	0	109.9	W442 M591 E592 G597 V598 H599	W442-I595 HydrophobicContact CZ3-CD1 4.07Å; W442-I595 HydrophobicContact CZ3-CG1 4.13Å; M591-I595 WeakPolarHBondContact O-CB 3.49Å; M591-I595 VanDerWaalsContact O-CD1 3.29Å; M591-I595 WeakPolarHBondContact O-CD1 3.44Å; M591-I595 WeakPolarHBondContact O-CG1 3.45Å; M591-I595 PolarHBondContact O-N 2.98Å; E592-I595 PolarHBondContact O-N 3.43Å; I595-G597 PolarHBondContact O-N 3.21Å; I595-V598 PolarHBondContact O-N 3.44Å; I595-H599 PolarHBondContact O-N 3.22Å
596	N	33.4	Very low	34.3	Very low	79 Å²	79	74.3 Å²	74.3	42%	0.422	43%	0.431	S	S	.	.	H	α-helix	trans	-64.1	-39.9	177.7	-71.6	-29.7	0	0	0	111.9	E592 D593 A594 H599 I600	E592-N596 WeakPolarHBondContact O-CB 3.45Å; E592-N596 PolarHBondContact O-N 2.95Å; E592-N596 PolarHBondContact O-ND2 3.27Å; E592-N596 VanDerWaalsContact O-ND2 3.07Å; D593-N596 PolarHBondContact O-N 3.43Å; A594-N596 VanDerWaalsContact C-N 3.33Å; N596-H599 WeakPolarHBondContact O-CB 3.36Å; N596-H599 PolarHBondContact O-N 3.32Å; N596-I600 WeakPolarHBondContact O-CG1 3.44Å; N596-I600 PolarHBondContact O-N 2.85Å
597	G	29.2	Very low	34.3	Very low	36 Å²	36	77 Å²	77	37%	0.371	44%	0.439	S	S	.	.	H	α-helix	trans	-68	-40.1	177	0	0	0	0	0	113.9	D593 A594 I595 H599 I600 S601	D593-G597 PolarHBondContact O-N 3.02Å; A594-G597 PolarHBondContact O-N 3.45Å; I595-G597 PolarHBondContact O-N 3.21Å; G597-H599 VanDerWaalsContact C-N 3.29Å; G597-H599 PolarHBondContact O-N 2.98Å; G597-I600 PolarHBondContact O-N 3.41Å; G597-S601 PolarHBondContact O-N 3.33Å; G597-S601 PolarHBondContact O-OG 3.48Å
598	V	31.1	Very low	33.9	Very low	96 Å²	96	82.8 Å²	82.8	58%	0.582	47%	0.47	S	S	*	.	H	α-helix	trans	-62.9	-39.4	172	172.4	0	0	0	0	110.2	A594 I595 I600 S601 A602	A594-V598 VanDerWaalsContact O-CG2 3.3Å; A594-V598 WeakPolarHBondContact O-CG2 3.39Å; A594-V598 PolarHBondContact O-N 3.24Å; I595-V598 PolarHBondContact O-N 3.44Å; V598-I600 PolarHBondContact O-N 3.34Å; V598-S601 PolarHBondContact O-N 2.79Å; V598-S601 PolarHBondContact O-OG 2.99Å; V598-S601 VanDerWaalsContact O-OG 3.09Å; V598-A602 VanDerWaalsContact O-CB 3.28Å; V598-A602 WeakPolarHBondContact O-CB 3.48Å; V598-A602 PolarHBondContact O-N 2.84Å
599	H	32.4	Very low	33.8	Very low	101 Å²	101	84.4 Å²	84.4	47%	0.468	48%	0.477	S	S	.	.	H	α-helix	trans	-61.1	-44.2	174	-108.4	-75.1	0	0	0	112.6	I595 N596 G597 V603	I595-H599 PolarHBondContact O-N 3.22Å; N596-H599 WeakPolarHBondContact O-CB 3.36Å; N596-H599 PolarHBondContact O-N 3.32Å; G597-H599 VanDerWaalsContact C-N 3.29Å; G597-H599 PolarHBondContact O-N 2.98Å; H599-V603 WeakPolarHBondContact O-CB 3.46Å; H599-V603 WeakPolarHBondContact O-CG2 3.38Å; H599-V603 PolarHBondContact O-N 3.24Å
600	I	33.1	Very low	33.8	Very low	83 Å²	83	87.4 Å²	87.4	43%	0.426	49%	0.49	S	S	.	.	H	α-helix	trans	-65.7	-44.6	179.1	-64.1	164.1	0	0	0	110.6	N138 N596 G597 V598 V603 S604	N138-I600 PolarHBondContact ND2-O 3.34Å; N596-I600 WeakPolarHBondContact O-CG1 3.44Å; N596-I600 PolarHBondContact O-N 2.85Å; G597-I600 PolarHBondContact O-N 3.41Å; V598-I600 PolarHBondContact O-N 3.34Å; I600-V603 PolarHBondContact O-N 3.45Å; I600-S604 PolarHBondContact O-N 3.17Å; I600-S604 PolarHBondContact O-OG 2.7Å; I600-S604 VanDerWaalsContact O-OG 3.12Å
601	S	30.4	Very low	33.8	Very low	60 Å²	60	92.2 Å²	92.2	42%	0.42	52%	0.516	S	S	.	.	H	α-helix	trans	-68.4	-40.5	-178.2	66.9	0	0	0	0	113.3	G597 V598 V603 S604 S605	G597-S601 PolarHBondContact O-N 3.33Å; G597-S601 PolarHBondContact O-OG 3.48Å; V598-S601 PolarHBondContact O-N 2.79Å; V598-S601 PolarHBondContact O-OG 2.99Å; V598-S601 VanDerWaalsContact O-OG 3.09Å; S601-V603 VanDerWaalsContact C-N 3.32Å; S601-V603 PolarHBondContact O-N 3.03Å; S601-S604 WeakPolarHBondContact CA-OG 3.14Å; S601-S604 PolarHBondContact O-N 3.09Å; S601-S604 PolarHBondContact O-OG 3.3Å; S601-S605 PolarHBondContact O-N 3.46Å; S601-S605 VanDerWaalsContact O-N 3.1Å; S601-S605 PolarHBondContact O-OG 3.29Å
602	A	33	Very low	33.7	Very low	46 Å²	46	97.8 Å²	97.8	38%	0.38	55%	0.546	S	S	.	.	H	α-helix	trans	-63.8	-38.6	174.6	0	0	0	0	0	111.4	V598 S605 H606	V598-A602 VanDerWaalsContact O-CB 3.28Å; V598-A602 WeakPolarHBondContact O-CB 3.48Å; V598-A602 PolarHBondContact O-N 2.84Å; A602-S605 PolarHBondContact O-N 3.14Å; A602-H606 PolarHBondContact O-CD2 3.26Å; A602-H606 VanDerWaalsContact O-CD2 3.31Å
603	V	36.9	Very low	33.8	Very low	73 Å²	73	100.2 Å²	100.2	44%	0.442	56%	0.558	S	S	.	*	H	α-helix	trans	-71.5	-31.8	177.3	174.4	0	0	0	0	112.4	H599 I600 S601	H599-V603 WeakPolarHBondContact O-CB 3.46Å; H599-V603 WeakPolarHBondContact O-CG2 3.38Å; H599-V603 PolarHBondContact O-N 3.24Å; I600-V603 PolarHBondContact O-N 3.45Å; S601-V603 VanDerWaalsContact C-N 3.32Å; S601-V603 PolarHBondContact O-N 3.03Å
604	S	34.8	Very low	33.9	Very low	52 Å²	52	101.2 Å²	101.2	36%	0.364	57%	0.568	S	S	.	*	H	α-helix	trans	-67.2	-39.1	170.6	23.3	0	0	0	0	113	N138 I600 S601 H606 K607	N138-S604 WeakPolarHBondContact ND2-CA 3.32Å; N138-S604 WeakPolarHBondContact ND2-CB 3.42Å; N138-S604 PolarHBondContact ND2-N 3.4Å; N138-S604 PolarHBondContact ND2-OG 3.47Å; I600-S604 PolarHBondContact O-N 3.17Å; I600-S604 PolarHBondContact O-OG 2.7Å; I600-S604 VanDerWaalsContact O-OG 3.12Å; S601-S604 WeakPolarHBondContact CA-OG 3.14Å; S601-S604 PolarHBondContact O-N 3.09Å; S601-S604 PolarHBondContact O-OG 3.3Å; S604-H606 PolarHBondContact O-N 3.22Å; S604-K607 PolarHBondContact O-N 3.14Å; S604-K607 VanDerWaalsContact O-N 3.1Å
605	S	36.5	Very low	33.8	Very low	82 Å²	82	105.5 Å²	105.5	57%	0.573	58%	0.583	S	S	*	*	H	α-helix	trans	-67.5	-24.3	-171	-56.2	0	0	0	0	112.2	S601 A602 K607	S601-S605 PolarHBondContact O-N 3.46Å; S601-S605 VanDerWaalsContact O-N 3.1Å; S601-S605 PolarHBondContact O-OG 3.29Å; A602-S605 PolarHBondContact O-N 3.14Å; S605-K607 VanDerWaalsContact C-N 3.34Å
606	H	36.3	Very low	34	Very low	155 Å²	155	108 Å²	108	72%	0.718	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	-0.9	176.9	-77.2	-63.3	0	0	0	114.7	A602 S604	A602-H606 PolarHBondContact O-CD2 3.26Å; A602-H606 VanDerWaalsContact O-CD2 3.31Å; S604-H606 PolarHBondContact O-N 3.22Å
607	K	34.9	Very low	34	Very low	81 Å²	81	112 Å²	112	35%	0.352	62%	0.619	S	S	.	*	S	Bend	trans	-100.1	-13.2	-177.1	-102.4	-158.1	-164.9	92.8	0	118.3	S135 S604 S605	S135-K607 VanDerWaalsContact C-NZ 3.32Å; S135-K607 WeakPolarHBondContact O-CE 3.43Å; S135-K607 PolarHBondContact O-NZ 3.01Å; S604-K607 PolarHBondContact O-N 3.14Å; S604-K607 VanDerWaalsContact O-N 3.1Å; S605-K607 VanDerWaalsContact C-N 3.34Å
608	N	33.2	Very low	34.2	Very low	155 Å²	155	118.7 Å²	118.7	83%	0.829	64%	0.643	S	S	*	*			trans	-120.1	51.4	-179.6	-81.6	-2.5	0	0	0	112.1
609	I	36.3	Very low	34.3	Very low	139 Å²	139	118.4 Å²	118.4	71%	0.713	65%	0.645	S	S	*	*			trans	-114.5	64.1	163.6	-51.2	176	0	0	0	107.5
610	N	34.8	Very low	34.2	Very low	135 Å²	135	119.4 Å²	119.4	72%	0.722	65%	0.654	S	S	*	*			trans	-132.5	83.4	153.2	-99.4	-10.5	0	0	0	104.6
611	D	35	Very low	34.2	Very low	164 Å²	164	125 Å²	125	88%	0.877	68%	0.675	S	S	*	*			trans	-162.4	119.4	142.5	-92.2	-28.5	0	0	0	109	Q613	D611-Q613 PolarHBondContact O-N 2.85Å
612	N	33.9	Very low	34.2	Very low	161 Å²	161	130.1 Å²	130.1	86%	0.861	70%	0.696	S	S	*	*			trans	-58.8	114.3	175.9	-68.6	-48.9	0	0	0	109.9
613	Q	36.6	Very low	34	Very low	175 Å²	175	135.3 Å²	135.3	82%	0.818	71%	0.711	S	S	*	*			trans	170.4	107.8	131.1	-94	167.1	-1.3	0	0	110.9	D611	D611-Q613 PolarHBondContact O-N 2.85Å
614	T	35.1	Very low	33.8	Very low	121 Å²	121	137.3 Å²	137.3	74%	0.742	72%	0.723	S	S	*	*			trans	54.1	88.1	143.1	51.1	0	0	0	0	118.9
615	N	32	Very low	33.5	Very low	144 Å²	144	139.4 Å²	139.4	77%	0.77	74%	0.737	S	S	*	*				40.7	106.1	113	-70.2	-8.2	0	0	0	118.2
616	N	35.3	Very low	33.1	Very low	130 Å²	130	139 Å²	139	70%	0.695	75%	0.747	S	S	*	*				159.4	2.8	106.2	-85.6	-18.2	0	0	0	116.4
617	N	33.9	Very low	32.7	Very low	163 Å²	163	137.5 Å²	137.5	87%	0.872	74%	0.741	S	S	*	*	S	Bend	trans	-102.4	2.6	-171.9	-86.7	-3.2	0	0	0	118.2
618	M	31.8	Very low	32.3	Very low	177 Å²	177	140 Å²	140	87%	0.872	76%	0.758	S	S	*	*	S	Bend	trans	-111.3	-13.6	-179.9	-88.7	-174.6	-165.9	0	0	117	N620	M618-N620 PolarHBondContact O-N 3.12Å
619	S	34.4	Very low	31.9	Very low	89 Å²	89	139.5 Å²	139.5	62%	0.622	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	-13.1	178.7	72.4	0	0	0	0	114.1
620	N	29.5	Very low	31.3	Very low	123 Å²	123	138.3 Å²	138.3	66%	0.658	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-5	-177.3	-77.8	-3.7	0	0	0	114.5	M618	M618-N620 PolarHBondContact O-N 3.12Å
621	K	32.6	Very low	31	Very low	200 Å²	200	136.9 Å²	136.9	87%	0.87	75%	0.746	S	S	*	*	S	Bend	trans	-84.3	-9.6	179.4	-125.1	179.5	-177.2	-177.4	0	114.6
622	L	31.7	Very low	30.5	Very low	167 Å²	167	133 Å²	133	87%	0.874	73%	0.731	S	S	*	*	S	Bend	trans	-108	-4.8	177.1	-95.7	141.3	0	0	0	114.1	T624	L622-T624 PolarHBondContact O-N 3.26Å
623	K	28.2	Very low	30.5	Very low	156 Å²	156	127.6 Å²	127.6	68%	0.678	71%	0.706	S	S	*	*	S	Bend	trans	-89.7	99.5	170.6	-74.6	-173.8	178.8	-179.7	0	109.6
624	T	32.4	Very low	30.4	Very low	115 Å²	115	122 Å²	122	71%	0.706	69%	0.685	S	S	*	*	S	Bend	trans	61.7	91.9	135.4	59.7	0	0	0	0	117	L622	L622-T624 PolarHBondContact O-N 3.26Å
625	S	29.4	Very low	30.2	Very low	95 Å²	95	116.4 Å²	116.4	66%	0.664	65%	0.652	S	S	*	*	S	Bend	trans	-167.7	-30.3	138.8	-139.7	0	0	0	0	115.6	M627	S625-M627 PolarHBondContact O-N 3.09Å
626	G	27.1	Very low	30.1	Very low	75 Å²	75	114.4 Å²	114.4	77%	0.773	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-30.9	-168.2	0	0	0	0	0	116
627	M	28.7	Very low	30.1	Very low	122 Å²	122	113.3 Å²	113.3	60%	0.601	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	-21.4	-169.5	-136.5	166.5	94.9	0	0	114.2	S625	S625-M627 PolarHBondContact O-N 3.09Å
628	L	25.9	Very low	30.1	Very low	134 Å²	134	105.9 Å²	105.9	70%	0.702	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	-19.8	-171.9	-83.5	162.9	0	0	0	114.9
629	M	24.7	Very low	30.4	Very low	145 Å²	145	100.5 Å²	100.5	71%	0.714	57%	0.569	S	S	*	*	S	Bend	trans	-97.2	-0.4	-167.1	-74.4	-68.1	150.6	0	0	116
630	N	24.1	Very low	30.5	Very low	113 Å²	113	98.3 Å²	98.3	60%	0.604	56%	0.556	S	S	*	*			trans	-124.9	84.7	172.2	-76.5	-17.5	0	0	0	110.9	S632	N630-S632 PolarHBondContact O-N 3.41Å
631	P	27.9	Very low	30.9	Very low	106 Å²	106	98.8 Å²	98.8	69%	0.688	55%	0.552	S	S	*	*			trans	-77.4	68.9	169.5	33.9	-32.6	0	0	0	109.3
632	S	26	Very low	31.2	Very low	81 Å²	81	90 Å²	90	57%	0.566	51%	0.514	S	S	*	.			trans	-117.8	80.1	165.9	39.3	0	0	0	0	106.5	N630 P634	N630-S632 PolarHBondContact O-N 3.41Å; S632-P634 WeakPolarHBondContact O-CD 3.35Å
633	S	33.6	Very low	31.6	Very low	49 Å²	49	85.8 Å²	85.8	34%	0.343	49%	0.493	S	S	.	.			trans	-108.8	90.1	-170.2	49	0	0	0	0	112.3	G635	S633-G635 PolarHBondContact O-N 3.33Å
634	P	33.7	Very low	32.1	Very low	56 Å²	56	81.4 Å²	81.4	36%	0.364	48%	0.481	S	S	.	.	H	α-helix	trans	-53	-33.6	173.6	-27.3	32.2	0	0	0	114.1	S632 L636 Q637 V638	S632-P634 WeakPolarHBondContact O-CD 3.35Å; P634-L636 PolarHBondContact O-N 2.64Å; P634-Q637 WeakPolarHBondContact O-CA 3.44Å; P634-Q637 VanDerWaalsContact O-CB 3.29Å; P634-Q637 WeakPolarHBondContact O-CB 3.32Å; P634-Q637 PolarHBondContact O-N 3.47Å; P634-V638 WeakPolarHBondContact O-CG2 3.45Å; P634-V638 PolarHBondContact O-N 2.83Å
635	G	31	Very low	32.4	Very low	5 Å²	5	76.6 Å²	76.6	5%	0.052	45%	0.453	C	S	.	.	H	α-helix	trans	-59.8	-39.7	-175	0	0	0	0	0	115.2	S633 Q637 V638 V639	S633-G635 PolarHBondContact O-N 3.33Å; G635-Q637 PolarHBondContact O-N 3.06Å; G635-V638 PolarHBondContact O-N 3.42Å; G635-V638 VanDerWaalsContact O-N 3.13Å; G635-V639 PolarHBondContact O-N 2.86Å; G635-V639 VanDerWaalsContact O-N 3.08Å
636	L	31.2	Very low	32.8	Very low	102 Å²	102	72.7 Å²	72.7	53%	0.534	43%	0.425	S	S	.	.	H	α-helix	trans	-65.1	-32.7	175.2	-123	136	0	0	0	111.1	P634 A640	P634-L636 PolarHBondContact O-N 2.64Å; L636-A640 WeakPolarHBondContact O-CB 3.41Å; L636-A640 PolarHBondContact O-N 3.42Å; L636-A640 VanDerWaalsContact O-N 3.11Å
637	Q	33.2	Very low	33.4	Very low	106 Å²	106	73.1 Å²	73.1	50%	0.495	41%	0.409	S	S	.	.	H	α-helix	trans	-71.5	-32.8	174.1	-58	-177.8	0.2	0	0	112.1	P634 G635 K641	P634-Q637 WeakPolarHBondContact O-CA 3.44Å; P634-Q637 VanDerWaalsContact O-CB 3.29Å; P634-Q637 WeakPolarHBondContact O-CB 3.32Å; P634-Q637 PolarHBondContact O-N 3.47Å; G635-Q637 PolarHBondContact O-N 3.06Å; Q637-K641 VanDerWaalsContact O-CB 3.24Å; Q637-K641 WeakPolarHBondContact O-CB 3.48Å; Q637-K641 WeakPolarHBondContact O-CD 3.37Å; Q637-K641 WeakPolarHBondContact O-CG 3.48Å; Q637-K641 PolarHBondContact O-N 3.44Å
638	V	34.8	Very low	33.8	Very low	7 Å²	7	71.3 Å²	71.3	4%	0.042	40%	0.402	C	S	.	.	H	α-helix	trans	-74.3	-46.4	-179.8	-170.6	0	0	0	0	111	F451 T455 P634 G635 A640 K641 L642	F451-V638 HydrophobicContact CD1-CB 4.04Å; F451-V638 HydrophobicContact CD1-CG1 3.42Å; F451-V638 VanDerWaalsContact CD1-CG1 3.42Å; F451-V638 HydrophobicContact CE1-CB 4.02Å; F451-V638 HydrophobicContact CE1-CG1 3.25Å; F451-V638 HydrophobicContact CG-CG1 4.42Å; F451-V638 HydrophobicContact CZ-CG1 4.12Å; T455-V638 HydrophobicContact CG2-CG1 4.34Å; P634-V638 WeakPolarHBondContact O-CG2 3.45Å; P634-V638 PolarHBondContact O-N 2.83Å; G635-V638 PolarHBondContact O-N 3.42Å; G635-V638 VanDerWaalsContact O-N 3.13Å; V638-A640 PolarHBondContact O-N 3.12Å; V638-K641 WeakPolarHBondContact O-CB 3.25Å; V638-K641 PolarHBondContact O-N 3.27Å; V638-L642 PolarHBondContact O-N 2.82Å
639	V	37.2	Very low	34.3	Very low	65 Å²	65	65.5 Å²	65.5	39%	0.394	37%	0.372	S	S	.	.	H	α-helix	trans	-64.1	-42.3	176.8	177.6	0	0	0	0	110.9	G635 K641 L642 L643	G635-V639 PolarHBondContact O-N 2.86Å; G635-V639 VanDerWaalsContact O-N 3.08Å; V639-K641 VanDerWaalsContact C-N 3.34Å; V639-K641 PolarHBondContact O-N 3.32Å; V639-L642 PolarHBondContact O-N 3.02Å; V639-L643 HydrophobicContact CG1-CD1 4.02Å; V639-L643 WeakPolarHBondContact O-CG 3.5Å; V639-L643 PolarHBondContact O-N 3.27Å
640	A	37.8	Very low	35	Very low	42 Å²	42	61.3 Å²	61.3	35%	0.347	35%	0.35	S	S	.	.	H	α-helix	trans	-63.3	-38.2	174.7	0	0	0	0	0	112.5	L636 V638 S644	L636-A640 WeakPolarHBondContact O-CB 3.41Å; L636-A640 PolarHBondContact O-N 3.42Å; L636-A640 VanDerWaalsContact O-N 3.11Å; V638-A640 PolarHBondContact O-N 3.12Å; A640-S644 VanDerWaalsContact O-CB 3.24Å; A640-S644 WeakPolarHBondContact O-CB 3.18Å; A640-S644 PolarHBondContact O-N 2.87Å
641	K	37.5	Very low	35.8	Very low	134 Å²	134	60.1 Å²	60.1	58%	0.583	35%	0.347	S	S	*	.	H	α-helix	trans	-64.5	-39.4	172.8	-82.1	173.2	-179.2	-178.1	0	112.1	Q637 V638 V639 S644 A645	Q637-K641 VanDerWaalsContact O-CB 3.24Å; Q637-K641 WeakPolarHBondContact O-CB 3.48Å; Q637-K641 WeakPolarHBondContact O-CD 3.37Å; Q637-K641 WeakPolarHBondContact O-CG 3.48Å; Q637-K641 PolarHBondContact O-N 3.44Å; V638-K641 WeakPolarHBondContact O-CB 3.25Å; V638-K641 PolarHBondContact O-N 3.27Å; V639-K641 VanDerWaalsContact C-N 3.34Å; V639-K641 PolarHBondContact O-N 3.32Å; K641-S644 PolarHBondContact O-N 3.33Å; K641-A645 WeakPolarHBondContact O-CB 3.33Å; K641-A645 PolarHBondContact O-N 3.49Å
642	L	38.2	Very low	36.3	Very low	14 Å²	14	60.1 Å²	60.1	7%	0.073	33%	0.333	C	S	.	.	H	α-helix	trans	-66.4	-48.7	179.6	-150.3	95.6	0	0	0	110.8	F451 T455 I576 T580 V638 V639 S644 A645 I646	F451-L642 HydrophobicContact CZ-CD1 4.18Å; T455-L642 HydrophobicContact CG2-CD1 3.74Å; I576-L642 HydrophobicContact CG2-CD2 4.47Å; I576-L642 HydrophobicContact CG2-CG 4.35Å; T580-L642 HydrophobicContact CG2-CD2 4.34Å; T580-L642 WeakPolarHBondContact OG1-CD2 3.38Å; V638-L642 PolarHBondContact O-N 2.82Å; V639-L642 PolarHBondContact O-N 3.02Å; L642-S644 VanDerWaalsContact C-N 3.34Å; L642-S644 PolarHBondContact O-N 3.42Å; L642-A645 PolarHBondContact O-N 2.77Å; L642-A645 VanDerWaalsContact O-N 3.15Å; L642-I646 WeakPolarHBondContact O-CG1 3.37Å; L642-I646 PolarHBondContact O-N 3.42Å
643	L	41.1	Very low	36.8	Very low	80 Å²	80	57.3 Å²	57.3	42%	0.419	31%	0.312	S	S	.	.	H	α-helix	trans	-62.6	-38.7	176	-71.4	168.6	0	0	0	112.2	V639 A645 I646 L647	V639-L643 HydrophobicContact CG1-CD1 4.02Å; V639-L643 WeakPolarHBondContact O-CG 3.5Å; V639-L643 PolarHBondContact O-N 3.27Å; L643-A645 VanDerWaalsContact C-N 3.3Å; L643-A645 PolarHBondContact O-N 3.04Å; L643-I646 HydrophobicContact CD2-CD1 4.4Å; L643-I646 PolarHBondContact O-N 2.75Å; L643-L647 WeakPolarHBondContact O-CG 3.22Å; L643-L647 PolarHBondContact O-N 3.46Å
644	S	38.9	Very low	37.3	Very low	63 Å²	63	59.4 Å²	59.4	44%	0.441	32%	0.319	S	S	.	.	H	α-helix	trans	-63.3	-35.8	174.2	-177.3	0	0	0	0	112.6	A640 K641 L642 D648	A640-S644 VanDerWaalsContact O-CB 3.24Å; A640-S644 WeakPolarHBondContact O-CB 3.18Å; A640-S644 PolarHBondContact O-N 2.87Å; K641-S644 PolarHBondContact O-N 3.33Å; L642-S644 VanDerWaalsContact C-N 3.34Å; L642-S644 PolarHBondContact O-N 3.42Å; S644-D648 WeakPolarHBondContact O-CB 3.31Å; S644-D648 PolarHBondContact O-N 3.12Å
645	A	37.5	Very low	37.6	Very low	15 Å²	15	60 Å²	60	12%	0.124	32%	0.322	C	S	.	.	H	α-helix	trans	-71.7	-36.8	176.5	0	0	0	0	0	111.8	F459 K641 L642 L643 L649	F459-A645 HydrophobicContact CE1-CB 3.98Å; F459-A645 HydrophobicContact CZ-CB 3.66Å; K641-A645 WeakPolarHBondContact O-CB 3.33Å; K641-A645 PolarHBondContact O-N 3.49Å; L642-A645 PolarHBondContact O-N 2.77Å; L642-A645 VanDerWaalsContact O-N 3.15Å; L643-A645 VanDerWaalsContact C-N 3.3Å; L643-A645 PolarHBondContact O-N 3.04Å; A645-L649 WeakPolarHBondContact O-CB 3.34Å; A645-L649 WeakPolarHBondContact O-CD1 3.24Å; A645-L649 VanDerWaalsContact O-CG 3.22Å; A645-L649 WeakPolarHBondContact O-CG 3.38Å; A645-L649 PolarHBondContact O-N 2.78Å; A645-L649 VanDerWaalsContact O-N 3.09Å
646	I	38.4	Very low	37.9	Very low	12 Å²	12	61.5 Å²	61.5	6%	0.062	33%	0.328	C	S	.	.	H	α-helix	trans	-59.6	-51.8	172.2	-66	169.7	0	0	0	109.7	I576 Y577 L642 L643 D648 L649 E650	I576-I646 HydrophobicContact CB-CG1 4.4Å; I576-I646 HydrophobicContact CG2-CD1 3.72Å; I576-I646 HydrophobicContact CG2-CG1 3.32Å; Y577-I646 HydrophobicContact CE1-CG2 4.17Å; L642-I646 WeakPolarHBondContact O-CG1 3.37Å; L642-I646 PolarHBondContact O-N 3.42Å; L643-I646 HydrophobicContact CD2-CD1 4.4Å; L643-I646 PolarHBondContact O-N 2.75Å; I646-D648 PolarHBondContact O-N 3.09Å; I646-L649 PolarHBondContact O-N 2.89Å; I646-E650 HydrophobicContact CG2-CG 4.33Å; I646-E650 WeakPolarHBondContact CG2-OE1 3.36Å; I646-E650 WeakPolarHBondContact O-CG 3.21Å; I646-E650 PolarHBondContact O-N 3.26Å
647	L	39.5	Very low	38.2	Very low	85 Å²	85	58.7 Å²	58.7	45%	0.445	32%	0.317	S	S	.	.	H	α-helix	trans	-61.7	-44.6	-180	-73.2	169.2	0	0	0	112.4	L643 L649 E650 T651	L643-L647 WeakPolarHBondContact O-CG 3.22Å; L643-L647 PolarHBondContact O-N 3.46Å; L647-L649 VanDerWaalsContact C-N 3.28Å; L647-L649 PolarHBondContact O-N 3.22Å; L647-E650 PolarHBondContact O-N 2.84Å; L647-T651 WeakPolarHBondContact O-CB 3.48Å; L647-T651 PolarHBondContact O-N 2.89Å; L647-T651 PolarHBondContact O-OG1 2.8Å
648	D	38.7	Very low	38.6	Very low	83 Å²	83	60.6 Å²	60.6	44%	0.444	33%	0.326	S	S	.	.	H	α-helix	trans	-58.7	-41.3	176.2	-177	68	0	0	0	111.6	S644 I646 R652	S644-D648 WeakPolarHBondContact O-CB 3.31Å; S644-D648 PolarHBondContact O-N 3.12Å; I646-D648 PolarHBondContact O-N 3.09Å; D648-R652 VanDerWaalsContact O-CB 3.32Å; D648-R652 WeakPolarHBondContact O-CB 3.41Å; D648-R652 WeakPolarHBondContact O-CD 3.31Å; D648-R652 WeakPolarHBondContact O-CG 3.36Å; D648-R652 PolarHBondContact O-N 2.81Å; D648-R652 WeakPolarHBondContact OD2-CD 3.4Å; D648-R652 IonicContact OD2-NH1 3.64Å
649	L	36.4	Very low	38.6	Very low	13 Å²	13	63.7 Å²	63.7	7%	0.068	34%	0.342	C	S	.	.	H	α-helix	trans	-70.7	-41.2	179.2	-71.9	170	0	0	0	113	L572 L573 I576 A645 I646 L647 R652 L653	L572-L649 HydrophobicContact CD2-CD1 3.49Å; L572-L649 VanDerWaalsContact CD2-CD1 3.49Å; L572-L649 HydrophobicContact CD2-CD2 3.56Å; L572-L649 HydrophobicContact CD2-CG 4.18Å; L572-L649 HydrophobicContact CG-CD1 3.76Å; L573-L649 HydrophobicContact CD1-CB 3.89Å; I576-L649 HydrophobicContact CD1-CD1 3.28Å; A645-L649 WeakPolarHBondContact O-CB 3.34Å; A645-L649 WeakPolarHBondContact O-CD1 3.24Å; A645-L649 VanDerWaalsContact O-CG 3.22Å; A645-L649 WeakPolarHBondContact O-CG 3.38Å; A645-L649 PolarHBondContact O-N 2.78Å; A645-L649 VanDerWaalsContact O-N 3.09Å; I646-L649 PolarHBondContact O-N 2.89Å; L647-L649 VanDerWaalsContact C-N 3.28Å; L647-L649 PolarHBondContact O-N 3.22Å; L649-R652 PolarHBondContact O-N 2.79Å; L649-L653 WeakPolarHBondContact O-CB 3.34Å; L649-L653 WeakPolarHBondContact O-CG 3.36Å; L649-L653 PolarHBondContact O-N 3.43Å
650	E	39	Very low	38.5	Very low	56 Å²	56	66.1 Å²	66.1	26%	0.262	35%	0.349	S	S	.	.	H	α-helix	trans	-60.4	-50	173.5	-73.3	172.7	175.2	0	0	110.2	L573 Y577 I646 L647 R652 L653 D654	L573-E650 HydrophobicContact CD1-CG 3.85Å; L573-E650 HydrophobicContact CD2-CG 4.44Å; Y577-E650 PolarHBondContact OH-OE1 3.49Å; I646-E650 HydrophobicContact CG2-CG 4.33Å; I646-E650 WeakPolarHBondContact CG2-OE1 3.36Å; I646-E650 WeakPolarHBondContact O-CG 3.21Å; I646-E650 PolarHBondContact O-N 3.26Å; L647-E650 PolarHBondContact O-N 2.84Å; E650-R652 VanDerWaalsContact C-N 3.28Å; E650-R652 PolarHBondContact O-N 2.92Å; E650-L653 WeakPolarHBondContact O-CA 3.42Å; E650-L653 WeakPolarHBondContact O-CB 3.21Å; E650-L653 PolarHBondContact O-N 2.91Å; E650-D654 PolarHBondContact O-N 3.43Å
651	T	40.4	Very low	38.3	Very low	88 Å²	88	70.3 Å²	70.3	54%	0.54	36%	0.364	S	S	.	.	H	α-helix	trans	-61.1	-38.5	179.9	-37.8	0	0	0	0	111.7	L647 D654 T655	L647-T651 WeakPolarHBondContact O-CB 3.48Å; L647-T651 PolarHBondContact O-N 2.89Å; L647-T651 PolarHBondContact O-OG1 2.8Å; T651-D654 PolarHBondContact O-N 3.43Å; T651-T655 PolarHBondContact O-N 3.17Å; T651-T655 PolarHBondContact O-OG1 3.11Å
652	R	37.7	Very low	38	Very low	106 Å²	106	68.9 Å²	68.9	40%	0.4	36%	0.362	S	S	.	.	H	α-helix	trans	-69.3	-38.6	175.3	-75.2	170.8	61.6	174.5	-1.6	112.4	H569 D648 L649 E650 D654 T655 I656	H569-R652 PolarHBondContact NE2-NH2 2.97Å; D648-R652 VanDerWaalsContact O-CB 3.32Å; D648-R652 WeakPolarHBondContact O-CB 3.41Å; D648-R652 WeakPolarHBondContact O-CD 3.31Å; D648-R652 WeakPolarHBondContact O-CG 3.36Å; D648-R652 PolarHBondContact O-N 2.81Å; D648-R652 WeakPolarHBondContact OD2-CD 3.4Å; D648-R652 IonicContact OD2-NH1 3.64Å; L649-R652 PolarHBondContact O-N 2.79Å; E650-R652 VanDerWaalsContact C-N 3.28Å; E650-R652 PolarHBondContact O-N 2.92Å; R652-D654 VanDerWaalsContact C-N 3.35Å; R652-T655 WeakPolarHBondContact CA-OG1 3.47Å; R652-T655 PolarHBondContact O-OG1 2.75Å; R652-I656 WeakPolarHBondContact O-CB 3.28Å; R652-I656 WeakPolarHBondContact O-CD1 3.48Å; R652-I656 WeakPolarHBondContact O-CG1 3.48Å; R652-I656 PolarHBondContact O-N 3.26Å
653	L	38	Very low	37.5	Very low	22 Å²	22	69.6 Å²	69.6	12%	0.115	37%	0.37	C	S	.	.	H	α-helix	trans	-63.1	-43.3	173.1	-88.9	159.5	0	0	0	111	K566 H569 L573 L649 E650 I656 C657	K566-L653 HydrophobicContact CG-CD2 4.24Å; H569-L653 HydrophobicContact CB-CD1 3.97Å; H569-L653 HydrophobicContact CB-CD2 3.75Å; H569-L653 HydrophobicContact CB-CG 3.73Å; L573-L653 HydrophobicContact CD1-CD1 4.46Å; L649-L653 WeakPolarHBondContact O-CB 3.34Å; L649-L653 WeakPolarHBondContact O-CG 3.36Å; L649-L653 PolarHBondContact O-N 3.43Å; E650-L653 WeakPolarHBondContact O-CA 3.42Å; E650-L653 WeakPolarHBondContact O-CB 3.21Å; E650-L653 PolarHBondContact O-N 2.91Å; L653-I656 CarbonylContact O-C 3.59Å; L653-I656 WeakPolarHBondContact O-CB 3.13Å; L653-I656 PolarHBondContact O-N 3.35Å; L653-C657 PolarHBondContact O-N 3.42Å; L653-C657 PolarHBondContact O-SG 3.27Å
654	D	42.8	Very low	37.1	Very low	94 Å²	94	71.5 Å²	71.5	50%	0.503	38%	0.376	S	S	.	.	H	α-helix	trans	-65.3	-44.5	177.7	-72.5	-19.1	0	0	0	111.3	E650 T651 R652 I656 C657 E658	E650-D654 PolarHBondContact O-N 3.43Å; T651-D654 PolarHBondContact O-N 3.43Å; R652-D654 VanDerWaalsContact C-N 3.35Å; D654-I656 VanDerWaalsContact C-N 3.28Å; D654-I656 PolarHBondContact O-N 2.91Å; D654-C657 CarbonylContact O-C 3.56Å; D654-C657 WeakPolarHBondContact O-CA 3.41Å; D654-C657 PolarHBondContact O-N 2.83Å; D654-E658 PolarHBondContact O-N 2.78Å
655	T	41	Very low	36.8	Very low	67 Å²	67	74 Å²	74	41%	0.411	39%	0.385	S	S	.	.	H	α-helix	trans	-62.8	-34.5	172.7	21	0	0	0	0	112.4	T651 R652 C657 N659	T651-T655 PolarHBondContact O-N 3.17Å; T651-T655 PolarHBondContact O-OG1 3.11Å; R652-T655 WeakPolarHBondContact CA-OG1 3.47Å; R652-T655 PolarHBondContact O-OG1 2.75Å; T655-C657 VanDerWaalsContact C-N 3.26Å; T655-C657 PolarHBondContact O-N 3.41Å; T655-N659 VanDerWaalsContact O-CB 3.22Å; T655-N659 WeakPolarHBondContact O-CB 3.43Å; T655-N659 VanDerWaalsContact O-CG 3.24Å; T655-N659 PolarHBondContact O-N 2.85Å; T655-N659 PolarHBondContact O-ND2 3.12Å
656	I	36.7	Very low	36.4	Very low	38 Å²	38	77.6 Å²	77.6	20%	0.195	40%	0.402	C	S	.	.	H	α-helix	trans	-67.2	-28.8	172.3	-69.1	164.4	0	0	0	110.9	R562 R652 L653 D654	R562-I656 HydrophobicContact CG-CG2 4.01Å; R562-I656 VanDerWaalsContact CZ-O 3.29Å; R562-I656 PolarHBondContact NE-O 2.93Å; R562-I656 PolarHBondContact NH2-O 3.46Å; R652-I656 WeakPolarHBondContact O-CB 3.28Å; R652-I656 WeakPolarHBondContact O-CD1 3.48Å; R652-I656 WeakPolarHBondContact O-CG1 3.48Å; R652-I656 PolarHBondContact O-N 3.26Å; L653-I656 CarbonylContact O-C 3.59Å; L653-I656 WeakPolarHBondContact O-CB 3.13Å; L653-I656 PolarHBondContact O-N 3.35Å; D654-I656 VanDerWaalsContact C-N 3.28Å; D654-I656 PolarHBondContact O-N 2.91Å
657	C	37.4	Very low	36.1	Very low	43 Å²	43	82 Å²	82	29%	0.291	43%	0.429	S	S	.	.	H	α-helix	trans	-85.8	-44.4	178.6	-64.7	0	0	0	0	113.1	L653 D654 T655 Q660	L653-C657 PolarHBondContact O-N 3.42Å; L653-C657 PolarHBondContact O-SG 3.27Å; D654-C657 CarbonylContact O-C 3.56Å; D654-C657 WeakPolarHBondContact O-CA 3.41Å; D654-C657 PolarHBondContact O-N 2.83Å; T655-C657 VanDerWaalsContact C-N 3.26Å; T655-C657 PolarHBondContact O-N 3.41Å; C657-Q660 WeakPolarHBondContact O-CB 3.44Å; C657-Q660 PolarHBondContact O-N 2.91Å
658	E	41.7	Very low	35.8	Very low	146 Å²	146	84.9 Å²	84.9	68%	0.682	45%	0.445	S	S	*	.	H	α-helix	trans	-70.6	-32.2	-179	-72.7	-172	162.3	0	0	113.3	D654 Q660 I661	D654-E658 PolarHBondContact O-N 2.78Å; E658-Q660 PolarHBondContact O-N 2.96Å; E658-I661 PolarHBondContact O-N 3.35Å
659	N	34.2	Very low	35.2	Very low	71 Å²	71	83.6 Å²	83.6	38%	0.38	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	7.3	172.3	-76.8	-42.3	0	0	0	113	R562 T655 I661 A663	R562-N659 PolarHBondContact NH2-O 3.45Å; T655-N659 VanDerWaalsContact O-CB 3.22Å; T655-N659 WeakPolarHBondContact O-CB 3.43Å; T655-N659 VanDerWaalsContact O-CG 3.24Å; T655-N659 PolarHBondContact O-N 2.85Å; T655-N659 PolarHBondContact O-ND2 3.12Å; N659-I661 VanDerWaalsContact C-N 3.28Å; N659-A663 WeakPolarHBondContact O-CB 3.43Å; N659-A663 PolarHBondContact O-N 3.19Å; N659-A663 VanDerWaalsContact O-N 3.11Å
660	Q	35.9	Very low	34.7	Very low	117 Å²	117	90.5 Å²	90.5	55%	0.547	48%	0.48	S	S	.	.	H	α-helix	trans	-62.5	-36.2	166.7	-164.2	165.1	19	0	0	111	C657 E658 E664	C657-Q660 WeakPolarHBondContact O-CB 3.44Å; C657-Q660 PolarHBondContact O-N 2.91Å; E658-Q660 PolarHBondContact O-N 2.96Å; Q660-E664 WeakPolarHBondContact O-CB 3.46Å; Q660-E664 WeakPolarHBondContact O-CG 3.16Å; Q660-E664 PolarHBondContact O-N 2.96Å
661	I	33.6	Very low	34	Very low	129 Å²	129	92.9 Å²	92.9	66%	0.662	49%	0.493	S	S	*	.	H	α-helix	trans	-76.6	-38.8	-177.4	-57	177.5	0	0	0	112.1	E658 N659 N665	E658-I661 PolarHBondContact O-N 3.35Å; N659-I661 VanDerWaalsContact C-N 3.28Å; I661-N665 PolarHBondContact O-ND2 3.03Å
662	I	30.7	Very low	33.4	Very low	104 Å²	104	95 Å²	95	53%	0.533	51%	0.506	S	S	.	.	H	α-helix	trans	-80.1	-37	-179.7	-53.9	179.6	0	0	0	110.9	N665 L666	I662-N665 PolarHBondContact O-N 3.29Å; I662-L666 HydrophobicContact CG2-CD1 3.89Å; I662-L666 PolarHBondContact O-N 3.31Å
663	A	27.6	Very low	32.7	Very low	30 Å²	30	98 Å²	98	25%	0.248	52%	0.522	C	S	.	.	H	α-helix	trans	-71.5	-36.7	-179.4	0	0	0	0	0	112.8	N659 N665 L666 T667	N659-A663 WeakPolarHBondContact O-CB 3.43Å; N659-A663 PolarHBondContact O-N 3.19Å; N659-A663 VanDerWaalsContact O-N 3.11Å; A663-N665 VanDerWaalsContact C-N 3.29Å; A663-N665 PolarHBondContact O-N 2.79Å; A663-L666 PolarHBondContact O-N 2.76Å; A663-T667 WeakPolarHBondContact O-CB 3.38Å; A663-T667 WeakPolarHBondContact O-CG2 3.24Å; A663-T667 PolarHBondContact O-N 3.24Å; A663-T667 PolarHBondContact O-OG1 3.42Å
664	E	33.3	Very low	32.1	Very low	119 Å²	119	103 Å²	103	56%	0.556	55%	0.549	S	S	*	.	H	α-helix	trans	-63.9	-36.7	175.7	-79.9	-176.9	174.2	0	0	111.8	Q660 T667 N668	Q660-E664 WeakPolarHBondContact O-CB 3.46Å; Q660-E664 WeakPolarHBondContact O-CG 3.16Å; Q660-E664 PolarHBondContact O-N 2.96Å; E664-T667 WeakPolarHBondContact CA-OG1 3.18Å; E664-T667 PolarHBondContact O-OG1 3.38Å; E664-T667 VanDerWaalsContact O-OG1 3.05Å; E664-N668 PolarHBondContact O-N 2.85Å
665	N	32	Very low	31.3	Very low	116 Å²	116	106.1 Å²	106.1	62%	0.62	56%	0.555	S	S	*	*	H	α-helix	trans	-69.8	-36.2	174.2	-75	-27.5	0	0	0	112.8	I661 I662 A663	I661-N665 PolarHBondContact O-ND2 3.03Å; I662-N665 PolarHBondContact O-N 3.29Å; A663-N665 VanDerWaalsContact C-N 3.29Å; A663-N665 PolarHBondContact O-N 2.79Å
666	L	30	Very low	30.9	Very low	90 Å²	90	108.5 Å²	108.5	47%	0.471	57%	0.565	S	S	.	*	H	α-helix	trans	-73.4	-34.3	175.4	-82.1	160.5	0	0	0	112.9	I662 A663 N668 S669 I671	I662-L666 HydrophobicContact CG2-CD1 3.89Å; I662-L666 PolarHBondContact O-N 3.31Å; A663-L666 PolarHBondContact O-N 2.76Å; L666-N668 PolarHBondContact O-N 2.88Å; L666-S669 PolarHBondContact O-N 2.82Å; L666-S669 VanDerWaalsContact O-N 3.1Å; L666-S669 PolarHBondContact O-OG 3.24Å; L666-I671 HydrophobicContact CD2-CD1 3.54Å
667	T	31	Very low	30.6	Very low	105 Å²	105	114.8 Å²	114.8	64%	0.644	59%	0.594	S	S	*	*	H	α-helix	trans	-70.6	-17.3	179.6	48.6	0	0	0	0	114.2	A663 E664 S669	A663-T667 WeakPolarHBondContact O-CB 3.38Å; A663-T667 WeakPolarHBondContact O-CG2 3.24Å; A663-T667 PolarHBondContact O-N 3.24Å; A663-T667 PolarHBondContact O-OG1 3.42Å; E664-T667 WeakPolarHBondContact CA-OG1 3.18Å; E664-T667 PolarHBondContact O-OG1 3.38Å; E664-T667 VanDerWaalsContact O-OG1 3.05Å; T667-S669 VanDerWaalsContact C-N 3.34Å
668	N	33.8	Very low	30.1	Very low	146 Å²	146	116.3 Å²	116.3	78%	0.781	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-7.1	171.8	-73	-19.8	0	0	0	113.3	E664 L666	E664-N668 PolarHBondContact O-N 2.85Å; L666-N668 PolarHBondContact O-N 2.88Å
669	S	26.5	Very low	29.4	Very low	55 Å²	55	112.5 Å²	112.5	39%	0.385	59%	0.593	S	S	.	*	S	Bend	trans	-103.4	116.6	170.2	56.7	0	0	0	0	108.8	L666 T667 I671	L666-S669 PolarHBondContact O-N 2.82Å; L666-S669 VanDerWaalsContact O-N 3.1Å; L666-S669 PolarHBondContact O-OG 3.24Å; T667-S669 VanDerWaalsContact C-N 3.34Å; S669-I671 PolarHBondContact O-N 3.13Å
670	D	25.9	Very low	29.2	Very low	159 Å²	159	117.6 Å²	117.6	85%	0.85	61%	0.612	S	S	*	*			trans	-62	73.5	172.6	-78.1	-44.6	0	0	0	110.5	T672	D670-T672 PolarHBondContact O-N 3.44Å
671	I	24.7	Very low	29	Very low	106 Å²	106	119.8 Å²	119.8	54%	0.544	62%	0.62	S	S	.	*			trans	-77	87.7	169.1	-58.4	178.1	0	0	0	106.4	L666 S669 F673	L666-I671 HydrophobicContact CD2-CD1 3.54Å; S669-I671 PolarHBondContact O-N 3.13Å; I671-F673 HydrophobicContact CG2-CD2 4.14Å; I671-F673 HydrophobicContact CG2-CE2 4.5Å; I671-F673 PolarHBondContact O-N 3.02Å
672	T	26.1	Very low	28.7	Very low	132 Å²	132	122.3 Å²	122.3	81%	0.81	62%	0.622	S	S	*	*			trans	-70.2	104.3	165.9	22.3	0	0	0	0	107.9	D670 D674	D670-T672 PolarHBondContact O-N 3.44Å; T672-D674 PolarHBondContact O-N 3.29Å
673	F	23.2	Very low	28.6	Very low	168 Å²	168	125 Å²	125	74%	0.737	64%	0.637	S	S	*	*			trans	-71.4	105.3	173.7	-117.6	-94.8	0	0	0	109.2	I671 Y675	I671-F673 HydrophobicContact CG2-CD2 4.14Å; I671-F673 HydrophobicContact CG2-CE2 4.5Å; I671-F673 PolarHBondContact O-N 3.02Å; F673-Y675 PolarHBondContact O-N 3.05Å
674	D	25.4	Very low	28.8	Very low	128 Å²	128	132.2 Å²	132.2	68%	0.684	66%	0.663	S	S	*	*			trans	-79.5	104.5	173.9	-168.6	-4.4	0	0	0	110.1	T672 D676	T672-D674 PolarHBondContact O-N 3.29Å; D674-D676 PolarHBondContact O-N 3.35Å; D674-D676 PolarHBondContact OD1-N 3.32Å
675	Y	27.4	Very low	28.6	Very low	160 Å²	160	135.4 Å²	135.4	63%	0.627	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	-13.9	-173.1	-107.8	-93.5	0	0	0	114.1	F673 Q677 C678	F673-Y675 PolarHBondContact O-N 3.05Å; Y675-Q677 PolarHBondContact O-N 3.24Å; Y675-C678 PolarHBondContact O-N 3.07Å
676	D	32.2	Very low	28.2	Very low	116 Å²	116	135.5 Å²	135.5	62%	0.62	68%	0.676	S	S	*	*	H	α-helix	trans	-67.1	-18.1	-175.7	-97.7	-6.2	0	0	0	113.9	D674	D674-D676 PolarHBondContact O-N 3.35Å; D674-D676 PolarHBondContact OD1-N 3.32Å
677	Q	29.8	Very low	27.9	Very low	171 Å²	171	136.4 Å²	136.4	80%	0.799	69%	0.687	S	S	*	*	H	α-helix	trans	-79.3	-26.9	175.1	-89.4	-167.5	7	0	0	114.4	Y675	Y675-Q677 PolarHBondContact O-N 3.24Å
678	C	26.3	Very low	27.6	Very low	75 Å²	75	137.2 Å²	137.2	51%	0.507	70%	0.696	S	S	.	*	H	α-helix	trans	-86.5	-31.5	-176.7	-77.4	0	0	0	0	113	Y675 K680 K681	Y675-C678 PolarHBondContact O-N 3.07Å; C678-K680 PolarHBondContact O-N 3.03Å; C678-K681 PolarHBondContact O-N 2.98Å
679	S	27.2	Very low	27.2	Very low	65 Å²	65	138.6 Å²	138.6	46%	0.455	70%	0.702	S	S	.	*	H	α-helix	trans	-68.8	-30.9	-177	64.1	0	0	0	0	113.4	K681	S679-K681 PolarHBondContact O-N 3.04Å
680	K	30.7	Very low	27.2	Very low	178 Å²	178	140.6 Å²	140.6	77%	0.774	72%	0.716	S	S	*	*	H	α-helix	trans	-75.3	-20.2	-179.3	-75.8	-178	-178.7	169.5	0	114.9	C678	C678-K680 PolarHBondContact O-N 3.03Å
681	K	32.5	Very low	27.2	Very low	163 Å²	163	138.4 Å²	138.4	71%	0.709	71%	0.714	S	S	*	*	H	α-helix	trans	-91.9	-31.5	-177.8	-82.6	-174.8	176.6	178.9	0	114	C678 S679	C678-K681 PolarHBondContact O-N 2.98Å; S679-K681 PolarHBondContact O-N 3.04Å
682	Y	27.1	Very low	27.3	Very low	183 Å²	183	140.2 Å²	140.2	72%	0.718	72%	0.724	S	S	*	*	H	α-helix	trans	-76.3	-26.8	-174.3	-92	-81.7	0	0	0	114.6	K684 Y685	Y682-K684 PolarHBondContact O-N 2.9Å; Y682-K684 VanDerWaalsContact O-N 3.08Å; Y682-Y685 PolarHBondContact O-N 3.39Å
683	L	28.6	Very low	27.5	Very low	161 Å²	161	143 Å²	143	84%	0.843	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	-6.6	177.7	-100.5	154.2	0	0	0	114.5
684	K	32.1	Very low	27.7	Very low	181 Å²	181	140.8 Å²	140.8	79%	0.787	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-8.5	177.8	-131.1	179.2	-176.6	-176.8	0	114.5	Y682	Y682-K684 PolarHBondContact O-N 2.9Å; Y682-K684 VanDerWaalsContact O-N 3.08Å
685	Y	27.7	Very low	27.8	Very low	186 Å²	186	140.2 Å²	140.2	73%	0.729	73%	0.73	S	S	*	*	S	Bend	trans	-128.1	22	-165.3	-73.9	-77.4	0	0	0	115.8	Y682 P687	Y682-Y685 PolarHBondContact O-N 3.39Å; Y685-P687 WeakPolarHBondContact O-CD 3.28Å
686	T	23.3	Very low	28	Very low	117 Å²	117	138.9 Å²	138.9	72%	0.718	74%	0.744	S	S	*	*			trans	-108.1	96.7	167.1	-14.7	0	0	0	0	108.4	C688	T686-C688 PolarHBondContact O-N 2.82Å; T686-C688 VanDerWaalsContact O-N 3.13Å
687	P	24.7	Very low	27.9	Very low	110 Å²	110	138.6 Å²	138.6	71%	0.714	75%	0.751	S	S	*	*			trans	-66	113.6	167.5	-4.2	19.7	0	0	0	106.6	Y685 L689	Y685-P687 WeakPolarHBondContact O-CD 3.28Å; P687-L689 PolarHBondContact O-N 2.89Å
688	C	25.6	Very low	28	Very low	122 Å²	122	134.7 Å²	134.7	82%	0.824	74%	0.743	S	S	*	*			trans	-57	104.8	168.4	-67.6	0	0	0	0	108	T686 S690	T686-C688 PolarHBondContact O-N 2.82Å; T686-C688 VanDerWaalsContact O-N 3.13Å; C688-S690 PolarHBondContact O-N 3.31Å
689	L	23.7	Very low	28.2	Very low	174 Å²	174	137.1 Å²	137.1	91%	0.911	76%	0.755	S	S	*	*			trans	-70.2	81.4	166.5	-71.8	166.5	0	0	0	107	P687 S691	P687-L689 PolarHBondContact O-N 2.89Å; L689-S691 PolarHBondContact O-N 3.15Å
690	S	27.3	Very low	28.4	Very low	98 Å²	98	143.2 Å²	143.2	69%	0.685	78%	0.776	S	S	*	*			trans	-67.9	115	166.5	55.4	0	0	0	0	107.8	C688 D692	C688-S690 PolarHBondContact O-N 3.31Å; S690-D692 PolarHBondContact O-N 2.76Å
691	S	26.3	Very low	28.4	Very low	113 Å²	113	143.1 Å²	143.1	79%	0.79	78%	0.778	S	S	*	*			trans	-63.1	92.1	171.6	49.2	0	0	0	0	110.1	L689	L689-S691 PolarHBondContact O-N 3.15Å
692	D	27.5	Very low	28.2	Very low	143 Å²	143	138.5 Å²	138.5	77%	0.765	78%	0.777	S	S	*	*			trans	-141.4	131.8	159.6	-83.1	-40.4	0	0	0	109.1	S690 T694	S690-D692 PolarHBondContact O-N 2.76Å; D692-T694 PolarHBondContact O-N 3.18Å
693	E	28.2	Very low	28.2	Very low	192 Å²	192	138 Å²	138	90%	0.897	79%	0.785	S	S	*	*			trans	-44.2	129.5	-176.5	-61.3	171.2	138.7	0	0	112.7
694	T	27.5	Very low	28.1	Very low	120 Å²	120	138.8 Å²	138.8	74%	0.736	79%	0.785	S	S	*	*			trans	-167.5	106.6	150.6	15.4	0	0	0	0	112.6	D692	D692-T694 PolarHBondContact O-N 3.18Å
695	T	27.5	Very low	27.8	Very low	117 Å²	117	138 Å²	138	72%	0.718	78%	0.782	S	S	*	*			trans	22.3	132.4	139.1	48	0	0	0	0	121.1	S697	T695-S697 VanDerWaalsContact C-N 3.31Å; T695-S697 PolarHBondContact O-N 3.34Å
696	S	32.4	Very low	27.7	Very low	131 Å²	131	135.7 Å²	135.7	92%	0.916	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	31.9	-165.7	-43.8	0	0	0	0	119.6
697	S	31	Very low	28	Very low	110 Å²	110	136.4 Å²	136.4	77%	0.769	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.8	1.6	176	82	0	0	0	0	116	T695	T695-S697 VanDerWaalsContact C-N 3.31Å; T695-S697 PolarHBondContact O-N 3.34Å
698	S	31.6	Very low	28.3	Very low	90 Å²	90	139.1 Å²	139.1	63%	0.629	78%	0.783	S	S	*	*	S	Bend	trans	-99	-0.6	-177.2	52	0	0	0	0	115.4	Q700	S698-Q700 VanDerWaalsContact C-N 3.28Å; S698-Q700 PolarHBondContact O-N 2.89Å
699	V	30.5	Very low	28.5	Very low	126 Å²	126	140.6 Å²	140.6	76%	0.764	78%	0.782	S	S	*	*	G	3₁₀ helix	trans	-78.5	-8.5	-178.6	-178	0	0	0	0	113.2
700	Q	30.1	Very low	28.8	Very low	192 Å²	192	139.7 Å²	139.7	90%	0.897	78%	0.778	S	S	*	*	G	3₁₀ helix	trans	-94	4.7	-173.7	-118.5	166.3	-11.7	0	0	116.6	S698	S698-Q700 VanDerWaalsContact C-N 3.28Å; S698-Q700 PolarHBondContact O-N 2.89Å
701	Q	30.8	Very low	28.8	Very low	177 Å²	177	143.3 Å²	143.3	83%	0.827	78%	0.784	S	S	*	*	G	3₁₀ helix	trans	-113.3	3.5	173.3	-79.3	-177.3	-14.2	0	0	114.9
702	G	28.1	Very low	28.9	Very low	65 Å²	65	142.7 Å²	142.7	67%	0.67	77%	0.772	S	S	*	*	S	Bend	trans	-86.3	-8	-178.5	0	0	0	0	0	116.5
703	L	27.7	Very low	29.3	Very low	172 Å²	172	140.3 Å²	140.3	90%	0.901	76%	0.764	S	S	*	*	S	Bend	trans	-111.8	13.5	-169.9	-91.8	159.6	0	0	0	115.3
704	E	26.1	Very low	29.6	Very low	179 Å²	179	138.8 Å²	138.8	84%	0.836	76%	0.757	S	S	*	*			trans	-120.6	65.6	173.2	-120	-176.5	-178.4	0	0	111.3
705	F	25.5	Very low	29.6	Very low	165 Å²	165	143 Å²	143	72%	0.724	76%	0.759	S	S	*	*			trans	-129.6	95.4	166.2	-87.9	-82.7	0	0	0	112.7
706	Q	27.1	Very low	29.9	Very low	137 Å²	137	142.2 Å²	142.2	64%	0.64	75%	0.749	S	S	*	*			trans	62.4	85.9	130.6	-61.2	-176.5	22.7	0	0	118.4	K708	Q706-K708 PolarHBondContact O-N 2.88Å
707	T	28.9	Very low	29.8	Very low	132 Å²	132	142.4 Å²	142.4	81%	0.81	73%	0.734	S	S	*	*	G	3₁₀ helix	trans	-57.5	15	157.1	38.7	0	0	0	0	115.7
708	K	31.5	Very low	29.7	Very low	167 Å²	167	141.3 Å²	141.3	73%	0.726	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-82.7	-17.3	-175.7	-76.5	-171.7	175.1	-179.3	0	114.8	Q706 L710	Q706-K708 PolarHBondContact O-N 2.88Å; K708-L710 PolarHBondContact O-N 3Å
709	D	30.1	Very low	29.4	Very low	152 Å²	152	142.1 Å²	142.1	81%	0.813	72%	0.718	S	S	*	*	G	3₁₀ helix	trans	-89.5	2.9	-177.8	-76.1	-16.9	0	0	0	115.1
710	L	28.7	Very low	29.3	Very low	156 Å²	156	141.8 Å²	141.8	82%	0.817	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-86	-3.4	174.6	-106.8	131.9	0	0	0	114.3	K708 N712	K708-L710 PolarHBondContact O-N 3Å; L710-N712 PolarHBondContact O-N 3.38Å
711	Q	27	Very low	29.3	Very low	173 Å²	173	136.4 Å²	136.4	81%	0.808	69%	0.686	S	S	*	*			trans	-99.4	54.8	175.9	-71.2	-167.8	-14	0	0	112.6	P713	Q711-P713 WeakPolarHBondContact O-CD 3.25Å
712	N	29.8	Very low	29.3	Very low	101 Å²	101	133.4 Å²	133.4	54%	0.54	67%	0.674	S	S	.	*			trans	-94.2	100.3	167.7	-161.1	-16.3	0	0	0	110	L710 Q714 R715	L710-N712 PolarHBondContact O-N 3.38Å; N712-Q714 PolarHBondContact O-N 3.19Å; N712-Q714 VanDerWaalsContact O-N 3.08Å; N712-R715 PolarHBondContact O-N 3.3Å
713	P	35.2	Very low	29.4	Very low	92 Å²	92	135.9 Å²	135.9	60%	0.597	67%	0.671	S	S	*	*	H	α-helix	trans	-64.1	-17	-166.8	21.6	-32.1	0	0	0	115	Q711 R715 I716 K717	Q711-P713 WeakPolarHBondContact O-CD 3.25Å; P713-R715 VanDerWaalsContact C-N 3.28Å; P713-R715 PolarHBondContact O-N 3.22Å; P713-I716 PolarHBondContact O-N 2.71Å; P713-K717 PolarHBondContact O-N 3.32Å
714	Q	35.5	Very low	29.7	Very low	160 Å²	160	134.9 Å²	134.9	75%	0.748	66%	0.662	S	S	*	*	H	α-helix	trans	-65.7	-27.4	175.9	-84	-177.2	-18.8	0	0	113.5	N712	N712-Q714 PolarHBondContact O-N 3.19Å; N712-Q714 VanDerWaalsContact O-N 3.08Å
715	R	27	Very low	30.1	Very low	209 Å²	209	132.7 Å²	132.7	79%	0.789	66%	0.656	S	S	*	*	H	α-helix	trans	-78.3	-30.9	176.4	-85.4	-171.3	177.7	-163.3	-1.3	113.3	N712 P713 I719	N712-R715 PolarHBondContact O-N 3.3Å; P713-R715 VanDerWaalsContact C-N 3.28Å; P713-R715 PolarHBondContact O-N 3.22Å; R715-I719 PolarHBondContact O-N 3.24Å
716	I	33.2	Very low	30.3	Very low	100 Å²	100	127.9 Å²	127.9	51%	0.513	65%	0.654	S	S	.	*	H	α-helix	trans	-69.3	-40	179.2	-61.7	176.5	0	0	0	109.8	P713 V718 I719 E720	P713-I716 PolarHBondContact O-N 2.71Å; I716-V718 PolarHBondContact O-N 2.99Å; I716-I719 PolarHBondContact O-N 3.38Å; I716-I719 VanDerWaalsContact O-N 3.13Å; I716-E720 PolarHBondContact O-N 3.1Å
717	K	30.3	Very low	30.4	Very low	136 Å²	136	131.8 Å²	131.8	59%	0.591	66%	0.662	S	S	*	*	H	α-helix	trans	-63.5	-37.5	-179.1	-151	179.1	-175.5	-172.9	0	113.6	P713 I719 E720 D721	P713-K717 PolarHBondContact O-N 3.32Å; K717-I719 VanDerWaalsContact C-N 3.32Å; K717-I719 PolarHBondContact O-N 2.83Å; K717-E720 PolarHBondContact O-N 3.5Å; K717-D721 WeakPolarHBondContact O-CB 3.27Å; K717-D721 VanDerWaalsContact O-CG 3.29Å; K717-D721 PolarHBondContact O-N 3.4Å
718	V	28.5	Very low	30.2	Very low	87 Å²	87	135.8 Å²	135.8	53%	0.527	66%	0.664	S	S	.	*	H	α-helix	trans	-67.7	-33.7	176.6	177.7	0	0	0	0	111.6	I716 I722	I716-V718 PolarHBondContact O-N 2.99Å; V718-I722 HydrophobicContact CG1-CD1 4.02Å; V718-I722 WeakPolarHBondContact O-CD1 3.36Å; V718-I722 WeakPolarHBondContact O-CG1 3.22Å; V718-I722 PolarHBondContact O-N 2.74Å
719	I	25.2	Very low	30	Very low	106 Å²	106	137.2 Å²	137.2	54%	0.544	67%	0.673	S	S	.	*	H	α-helix	trans	-76.1	-37.5	178	-63.3	173.4	0	0	0	110.8	R715 I716 K717 I722 L723	R715-I719 PolarHBondContact O-N 3.24Å; I716-I719 PolarHBondContact O-N 3.38Å; I716-I719 VanDerWaalsContact O-N 3.13Å; K717-I719 VanDerWaalsContact C-N 3.32Å; K717-I719 PolarHBondContact O-N 2.83Å; I719-I722 PolarHBondContact O-N 3.12Å; I719-L723 HydrophobicContact CG2-CD1 4.01Å; I719-L723 WeakPolarHBondContact O-CB 3.37Å; I719-L723 WeakPolarHBondContact O-CG 3.17Å; I719-L723 PolarHBondContact O-N 2.95Å
720	E	28.9	Very low	29.8	Very low	120 Å²	120	141.3 Å²	141.3	56%	0.561	68%	0.678	S	S	*	*	H	α-helix	trans	-63.1	-46.5	171.5	-89.7	179.7	154.6	0	0	111.8	I716 K717 I722 L723 E724	I716-E720 PolarHBondContact O-N 3.1Å; K717-E720 PolarHBondContact O-N 3.5Å; E720-I722 VanDerWaalsContact C-N 3.25Å; E720-I722 PolarHBondContact O-N 3.37Å; E720-L723 PolarHBondContact O-N 2.88Å; E720-L723 VanDerWaalsContact O-N 3.09Å; E720-E724 PolarHBondContact O-N 3.28Å
721	D	29.6	Very low	29.7	Very low	78 Å²	78	142.4 Å²	142.4	42%	0.417	68%	0.678	S	S	.	*	H	α-helix	trans	-62.4	-31.4	179.3	-72.5	-16.9	0	0	0	112.4	K717 N725	K717-D721 WeakPolarHBondContact O-CB 3.27Å; K717-D721 VanDerWaalsContact O-CG 3.29Å; K717-D721 PolarHBondContact O-N 3.4Å; D721-N725 WeakPolarHBondContact O-CB 3.01Å; D721-N725 PolarHBondContact O-N 3.35Å; D721-N725 PolarHBondContact O-ND2 3.41Å
722	I	30.5	Very low	29.7	Very low	115 Å²	115	143.6 Å²	143.6	59%	0.59	68%	0.684	S	S	*	*	H	α-helix	trans	-74.6	-38.2	175.2	-68.7	166.8	0	0	0	111.2	V718 I719 E720 G726	V718-I722 HydrophobicContact CG1-CD1 4.02Å; V718-I722 WeakPolarHBondContact O-CD1 3.36Å; V718-I722 WeakPolarHBondContact O-CG1 3.22Å; V718-I722 PolarHBondContact O-N 2.74Å; I719-I722 PolarHBondContact O-N 3.12Å; E720-I722 VanDerWaalsContact C-N 3.25Å; E720-I722 PolarHBondContact O-N 3.37Å; I722-G726 PolarHBondContact O-N 2.81Å
723	L	30.7	Very low	29.5	Very low	116 Å²	116	144.3 Å²	144.3	61%	0.607	69%	0.692	S	S	*	*	H	α-helix	trans	-75	-32.3	179.6	-76.2	169.5	0	0	0	112.8	I719 E720	I719-L723 HydrophobicContact CG2-CD1 4.01Å; I719-L723 WeakPolarHBondContact O-CB 3.37Å; I719-L723 WeakPolarHBondContact O-CG 3.17Å; I719-L723 PolarHBondContact O-N 2.95Å; E720-L723 PolarHBondContact O-N 2.88Å; E720-L723 VanDerWaalsContact O-N 3.09Å
724	E	34	Very low	29	Very low	151 Å²	151	150.2 Å²	150.2	71%	0.706	70%	0.702	S	S	*	*	H	α-helix	trans	-74.8	-40.6	178.7	-136	175.5	-166.8	0	0	111.6	E720 G726	E720-E724 PolarHBondContact O-N 3.28Å; E724-G726 VanDerWaalsContact C-N 3.34Å; E724-G726 PolarHBondContact O-N 3.33Å
725	N	34.8	Very low	28.6	Very low	133 Å²	133	148 Å²	148	71%	0.711	70%	0.704	S	S	*	*	H	α-helix	trans	-75.6	-20.3	177.9	-71.2	-46.2	0	0	0	113.6	D721 R727	D721-N725 WeakPolarHBondContact O-CB 3.01Å; D721-N725 PolarHBondContact O-N 3.35Å; D721-N725 PolarHBondContact O-ND2 3.41Å; N725-R727 VanDerWaalsContact C-N 3.32Å; N725-R727 PolarHBondContact O-N 3.48Å
726	G	30.6	Very low	28.5	Very low	65 Å²	65	146.3 Å²	146.3	67%	0.67	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	-6.2	-179.3	0	0	0	0	0	115.9	I722 E724	I722-G726 PolarHBondContact O-N 2.81Å; E724-G726 VanDerWaalsContact C-N 3.34Å; E724-G726 PolarHBondContact O-N 3.33Å
727	R	28.8	Very low	28.2	Very low	218 Å²	218	146.6 Å²	146.6	82%	0.823	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.1	9.4	-174	-77.4	-164.4	-176	-166.9	3.8	116.7	N725	N725-R727 VanDerWaalsContact C-N 3.32Å; N725-R727 PolarHBondContact O-N 3.48Å
728	Y	24.5	Very low	28.1	Very low	216 Å²	216	147.2 Å²	147.2	85%	0.847	74%	0.736	S	S	*	*			trans	-127.9	60.5	-177.5	-94	-81.9	0	0	0	114.5
729	E	26.6	Very low	28.1	Very low	197 Å²	197	149.6 Å²	149.6	92%	0.921	75%	0.746	S	S	*	*			trans	-142.4	68.1	149.4	-78.8	-160.5	159.4	0	0	108.9
730	R	27.1	Very low	28.2	Very low	239 Å²	239	152.1 Å²	152.1	90%	0.902	76%	0.76	S	S	*	*			trans	-104.4	98.8	159.7	-153.8	-177.2	-71.8	-176.9	-2.7	106.5	Q732	R730-Q732 PolarHBondContact O-N 3.31Å
731	E	26.6	Very low	28.3	Very low	178 Å²	178	155 Å²	155	83%	0.832	77%	0.773	S	S	*	*			trans	-27.1	99.7	175.7	-65.9	169.2	135.9	0	0	113.5	V733	E731-V733 HydrophobicContact CB-CG2 4.37Å; E731-V733 PolarHBondContact O-N 3.26Å; E731-V733 VanDerWaalsContact O-N 3.16Å
732	Q	25.9	Very low	28.3	Very low	199 Å²	199	160.2 Å²	160.2	93%	0.93	79%	0.792	S	S	*	*			trans	-81.8	70.9	156.1	-79.9	-173.1	-6.1	0	0	108.2	R730	R730-Q732 PolarHBondContact O-N 3.31Å
733	V	25.8	Very low	28.2	Very low	116 Å²	116	162.3 Å²	162.3	70%	0.703	81%	0.805	S	S	*	*			trans	-110.7	91.4	168.5	-178	0	0	0	0	107.9	E731	E731-V733 HydrophobicContact CB-CG2 4.37Å; E731-V733 PolarHBondContact O-N 3.26Å; E731-V733 VanDerWaalsContact O-N 3.16Å
734	R	24.1	Very low	28.1	Very low	215 Å²	215	163.8 Å²	163.8	81%	0.811	81%	0.813	S	S	*	*			trans	145.4	106.1	165.5	-86.8	165.2	-179.8	-176	1.5	105.2
735	S	27.9	Very low	28.1	Very low	114 Å²	114	166.7 Å²	166.7	80%	0.797	82%	0.824	S	S	*	*				-159.6	121.9	52.6	31.1	0	0	0	0	109.8
736	L	24.6	Very low	27.7	Very low	174 Å²	174	167.4 Å²	167.4	91%	0.911	86%	0.863	S	S	*	*			trans	-67.2	148.9	157.2	-100.2	101.2	0	0	0	109.4
737	S	27.1	Very low	27.6	Very low	106 Å²	106	172.6 Å²	172.6	74%	0.741	87%	0.873	S	S	*	*			trans	74.3	80.1	168.7	86.3	0	0	0	0	117.4
738	V	28.4	Very low	27.5	Very low	148 Å²	148	170.2 Å²	170.2	90%	0.897	88%	0.875	S	S	*	*			trans	-118.9	118.4	135.7	-179.3	0	0	0	0	106.4
739	N	28.4	Very low	27.7	Very low	138 Å²	138	167.6 Å²	167.6	74%	0.738	88%	0.877	S	S	*	*			trans	-52.8	142.5	-167	-71.6	-48	0	0	0	114.4	H741	N739-H741 PolarHBondContact O-N 3.21Å
740	D	27.6	Very low	27.8	Very low	158 Å²	158	165.9 Å²	165.9	85%	0.845	87%	0.874	S	S	*	*			trans	-46.7	94.8	157	-73.5	-48.1	0	0	0	111.6
741	H	30.1	Very low	27.8	Very low	182 Å²	182	161.3 Å²	161.3	84%	0.843	87%	0.872	S	S	*	*			trans	-108.3	87	153.8	-89.2	-55.1	0	0	0	109.1	N739	N739-H741 PolarHBondContact O-N 3.21Å
742	K	29.9	Very low	27.9	Very low	187 Å²	187	160.2 Å²	160.2	81%	0.813	88%	0.875	S	S	*	*			trans	-20.5	127.1	158.3	-77.1	172.4	171	173.6	0	114	N744	K742-N744 PolarHBondContact O-N 3.28Å
743	N	28.9	Very low	28	Very low	159 Å²	159	157.4 Å²	157.4	85%	0.85	87%	0.871	S	S	*	*			trans	-11.3	113.6	139	-66.6	-21.5	0	0	0	113.6
744	N	28.3	Very low	28.2	Very low	147 Å²	147	160.6 Å²	160.6	79%	0.786	88%	0.884	S	S	*	*			trans	-154.2	62.2	164.2	-103.4	-5.6	0	0	0	110.2	K742	K742-N744 PolarHBondContact O-N 3.28Å
745	F	33.3	Very low	28.6	Very low	211 Å²	211	156.1 Å²	156.1	93%	0.925	89%	0.89	S	S	*	*			trans	-153	99.1	152.6	-72.2	-73	0	0	0	104.1
746	G	28.2	Very low	28.6	Very low	149 Å²	149	159.9 Å²	159.9	100%	1.536	90%	0.899	S	S	*	*			cis	77.2	0	36.2	0	0	0	0	0	107.7

Retrieved 746 of 746 residues in 1140 ms (Link to these results)

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