A0A3Q0KKR3_SCHMA Loading...

EF-hand domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KKR3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 682 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	28.5	Very low	33.4	Very low	233 Å²	233	141.7 Å²	141.7	100%	1.148	72%	0.718	S	S	*	*				0	91.1	0	-72	-179.5	143.4	0	0	106.2
2	F	29.5	Very low	34.5	Very low	216 Å²	216	136 Å²	136	95%	0.947	70%	0.701	S	S	*	*				-114.2	150.6	50.6	-83.3	-106.3	0	0	0	113.5	S4	F2-S4 PolarHBondContact O-N 3.27Å
3	N	26.3	Very low	35.5	Very low	141 Å²	141	134.2 Å²	134.2	75%	0.754	69%	0.692	S	S	*	*			trans	-65.6	117.7	-169.5	-85.7	-16.6	0	0	0	114.1	Q5	N3-Q5 PolarHBondContact O-N 2.92Å
4	S	29	Very low	36.4	Very low	116 Å²	116	132.9 Å²	132.9	81%	0.811	69%	0.686	S	S	*	*			trans	-75.8	59	173.6	61.2	0	0	0	0	112.7	F2	F2-S4 PolarHBondContact O-N 3.27Å
5	Q	30.8	Very low	37.5	Very low	146 Å²	146	131.4 Å²	131.4	68%	0.682	68%	0.679	S	S	*	*			trans	-115.5	12.2	177.8	-85.8	-172.4	-15	0	0	114.5	N3 T7	N3-Q5 PolarHBondContact O-N 2.92Å; Q5-T7 PolarHBondContact O-N 3.49Å
6	W	35.7	Very low	38.9	Very low	226 Å²	226	126.6 Å²	126.6	86%	0.856	66%	0.661	S	S	*	*			trans	-78.8	58.6	165	-77.8	64.2	0	0	0	110.1	N10	W6-N10 HydrophobicContact CE3-CB 4.14Å; W6-N10 HydrophobicContact CZ3-CB 4.43Å
7	T	35.1	Very low	40.2	Very low	83 Å²	83	122.4 Å²	122.4	51%	0.509	65%	0.648	S	S	.	*			trans	-74	162.7	169.6	56.3	0	0	0	0	108.7	Q5 S9 N10	Q5-T7 PolarHBondContact O-N 3.49Å; T7-S9 PolarHBondContact O-N 3.39Å; T7-S9 PolarHBondContact O-OG 3.04Å; T7-S9 PolarHBondContact OG1-OG 3.13Å; T7-N10 PolarHBondContact O-N 3.13Å
8	L	34.7	Very low	41.2	Very low	159 Å²	159	118.7 Å²	118.7	83%	0.832	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-44.1	-15.4	178.5	-85.2	90.1	0	0	0	115.9	N10 L11	L8-N10 VanDerWaalsContact C-N 3.29Å; L8-N10 PolarHBondContact O-N 2.91Å; L8-L11 WeakPolarHBondContact O-CB 3.29Å; L8-L11 PolarHBondContact O-N 3.41Å
9	S	36.3	Very low	42.4	Very low	58 Å²	58	118 Å²	118	41%	0.406	63%	0.627	S	S	.	*	H	α-helix	trans	-53.5	-38.1	170.2	62.2	0	0	0	0	113.9	T7 L11 S12 L13	T7-S9 PolarHBondContact O-N 3.39Å; T7-S9 PolarHBondContact O-OG 3.04Å; T7-S9 PolarHBondContact OG1-OG 3.13Å; S9-L11 VanDerWaalsContact C-N 3.31Å; S9-L11 PolarHBondContact O-N 3.48Å; S9-S12 PolarHBondContact O-N 3.26Å; S9-S12 PolarHBondContact O-OG 3Å; S9-L13 PolarHBondContact O-N 2.9Å
10	N	40.8	Very low	43.6	Very low	46 Å²	46	116.3 Å²	116.3	25%	0.246	62%	0.618	C	S	.	*	H	α-helix	trans	-72.3	-24.7	179.7	-77.1	-16.5	0	0	0	113.1	W6 T7 L8 S12 L13 L14	W6-N10 HydrophobicContact CE3-CB 4.14Å; W6-N10 HydrophobicContact CZ3-CB 4.43Å; T7-N10 PolarHBondContact O-N 3.13Å; L8-N10 VanDerWaalsContact C-N 3.29Å; L8-N10 PolarHBondContact O-N 2.91Å; N10-S12 VanDerWaalsContact C-N 3.32Å; N10-L13 PolarHBondContact O-N 3.03Å; N10-L14 WeakPolarHBondContact O-CB 3.27Å; N10-L14 PolarHBondContact O-N 3.05Å
11	L	40.5	Very low	44.4	Very low	135 Å²	135	115.2 Å²	115.2	71%	0.707	61%	0.612	S	S	*	*	H	α-helix	trans	-68.8	-35.8	173.5	-147.4	100.5	0	0	0	110.6	L8 S9 L14 L15	L8-L11 WeakPolarHBondContact O-CB 3.29Å; L8-L11 PolarHBondContact O-N 3.41Å; S9-L11 VanDerWaalsContact C-N 3.31Å; S9-L11 PolarHBondContact O-N 3.48Å; L11-L14 PolarHBondContact O-N 2.97Å; L11-L15 WeakPolarHBondContact O-CB 3.4Å; L11-L15 PolarHBondContact O-N 2.97Å
12	S	46.5	Very low	45.8	Very low	73 Å²	73	107.5 Å²	107.5	51%	0.51	58%	0.575	S	S	.	*	H	α-helix	trans	-69.1	-37.4	176.2	78.9	0	0	0	0	112.8	S9 N10 L15 S16	S9-S12 PolarHBondContact O-N 3.26Å; S9-S12 PolarHBondContact O-OG 3Å; N10-S12 VanDerWaalsContact C-N 3.32Å; S12-L15 PolarHBondContact O-N 3.18Å; S12-S16 WeakPolarHBondContact O-CB 3.45Å; S12-S16 PolarHBondContact O-N 3.14Å
13	L	48	Very low	47.5	Very low	113 Å²	113	101.8 Å²	101.8	59%	0.592	55%	0.551	S	S	*	*	H	α-helix	trans	-66.7	-38.1	173.6	-97.3	152.1	0	0	0	111.6	S9 N10 A17	S9-L13 PolarHBondContact O-N 2.9Å; N10-L13 PolarHBondContact O-N 3.03Å; L13-A17 VanDerWaalsContact O-CB 3.24Å; L13-A17 WeakPolarHBondContact O-CB 3.35Å; L13-A17 PolarHBondContact O-N 3.2Å
14	L	48.6	Very low	49.3	Very low	116 Å²	116	99.8 Å²	99.8	61%	0.607	54%	0.539	S	S	*	.	H	α-helix	trans	-71.7	-39.5	177.1	-151.9	146.4	0	0	0	111.1	N10 L11 A17 V18	N10-L14 WeakPolarHBondContact O-CB 3.27Å; N10-L14 PolarHBondContact O-N 3.05Å; L11-L14 PolarHBondContact O-N 2.97Å; L14-A17 PolarHBondContact O-N 3.41Å; L14-V18 HydrophobicContact CD2-CG2 4.31Å; L14-V18 WeakPolarHBondContact O-CB 3.44Å; L14-V18 VanDerWaalsContact O-CG2 3.23Å; L14-V18 WeakPolarHBondContact O-CG2 3.32Å; L14-V18 PolarHBondContact O-N 2.99Å
15	L	52.1	Low	50.5	Low	110 Å²	110	95.7 Å²	95.7	58%	0.576	51%	0.508	S	S	*	.	H	α-helix	trans	-65.2	-43	173.3	-155.7	84.5	0	0	0	111.6	L11 S12 V18 L19	L11-L15 WeakPolarHBondContact O-CB 3.4Å; L11-L15 PolarHBondContact O-N 2.97Å; S12-L15 PolarHBondContact O-N 3.18Å; L15-V18 PolarHBondContact O-N 3.36Å; L15-L19 HydrophobicContact CD2-CD1 4.5Å; L15-L19 HydrophobicContact CG-CD1 4.42Å; L15-L19 WeakPolarHBondContact O-CB 3.4Å; L15-L19 VanDerWaalsContact O-CG 3.25Å; L15-L19 WeakPolarHBondContact O-CG 3.31Å; L15-L19 PolarHBondContact O-N 3.4Å
16	S	60.6	Low	51.8	Low	55 Å²	55	95 Å²	95	39%	0.385	51%	0.508	S	S	.	.	H	α-helix	trans	-64	-39.6	174.6	175.7	0	0	0	0	112.1	S12 L19 N20	S12-S16 WeakPolarHBondContact O-CB 3.45Å; S12-S16 PolarHBondContact O-N 3.14Å; S16-L19 PolarHBondContact O-N 3.31Å; S16-N20 WeakPolarHBondContact O-CB 3.45Å; S16-N20 PolarHBondContact O-N 3.4Å; S16-N20 PolarHBondContact O-ND2 3.17Å
17	A	59.8	Low	53.1	Low	55 Å²	55	93.5 Å²	93.5	46%	0.455	50%	0.503	S	S	.	.	H	α-helix	trans	-65.7	-40.9	174.6	0	0	0	0	0	111.7	L13 L14 L21	L13-A17 VanDerWaalsContact O-CB 3.24Å; L13-A17 WeakPolarHBondContact O-CB 3.35Å; L13-A17 PolarHBondContact O-N 3.2Å; L14-A17 PolarHBondContact O-N 3.41Å; A17-L21 WeakPolarHBondContact O-CB 3.45Å; A17-L21 PolarHBondContact O-N 3.31Å
18	V	58.7	Low	54.1	Low	56 Å²	56	98.1 Å²	98.1	34%	0.339	51%	0.511	S	S	.	.	H	α-helix	trans	-65.7	-41.9	175.3	171.4	0	0	0	0	111	L14 L15 L21 L22	L14-V18 HydrophobicContact CD2-CG2 4.31Å; L14-V18 WeakPolarHBondContact O-CB 3.44Å; L14-V18 VanDerWaalsContact O-CG2 3.23Å; L14-V18 WeakPolarHBondContact O-CG2 3.32Å; L14-V18 PolarHBondContact O-N 2.99Å; L15-V18 PolarHBondContact O-N 3.36Å; V18-L21 PolarHBondContact O-N 3.3Å; V18-L22 WeakPolarHBondContact O-CB 3.33Å; V18-L22 PolarHBondContact O-N 2.94Å
19	L	64.1	Low	55.1	Low	105 Å²	105	102.7 Å²	102.7	55%	0.55	52%	0.517	S	S	.	.	H	α-helix	trans	-66.2	-43.5	177	-73.4	166.9	0	0	0	112.4	L15 S16 L21 L22 E23	L15-L19 HydrophobicContact CD2-CD1 4.5Å; L15-L19 HydrophobicContact CG-CD1 4.42Å; L15-L19 WeakPolarHBondContact O-CB 3.4Å; L15-L19 VanDerWaalsContact O-CG 3.25Å; L15-L19 WeakPolarHBondContact O-CG 3.31Å; L15-L19 PolarHBondContact O-N 3.4Å; S16-L19 PolarHBondContact O-N 3.31Å; L19-L21 VanDerWaalsContact C-N 3.33Å; L19-L21 PolarHBondContact O-N 3.4Å; L19-L22 WeakPolarHBondContact O-CB 3.33Å; L19-L22 PolarHBondContact O-N 2.72Å; L19-E23 PolarHBondContact O-N 3.31Å
20	N	67.6	Low	56	Low	83 Å²	83	103.4 Å²	103.4	44%	0.444	52%	0.516	S	S	.	.	H	α-helix	trans	-64	-38.8	174.4	-84.7	-43.9	0	0	0	111.9	S16 L22 E23 I24	S16-N20 WeakPolarHBondContact O-CB 3.45Å; S16-N20 PolarHBondContact O-N 3.4Å; S16-N20 PolarHBondContact O-ND2 3.17Å; N20-L22 VanDerWaalsContact C-N 3.33Å; N20-E23 PolarHBondContact O-N 3.4Å; N20-I24 WeakPolarHBondContact O-CB 3.38Å; N20-I24 WeakPolarHBondContact O-CD1 3.28Å; N20-I24 WeakPolarHBondContact O-CG1 3.28Å; N20-I24 PolarHBondContact O-N 3.03Å
21	L	59.6	Low	56.6	Low	95 Å²	95	105 Å²	105	50%	0.497	53%	0.529	S	S	.	.	H	α-helix	trans	-68.7	-35.8	177.2	-157.9	131.6	0	0	0	110.9	A17 V18 L19 L25	A17-L21 WeakPolarHBondContact O-CB 3.45Å; A17-L21 PolarHBondContact O-N 3.31Å; V18-L21 PolarHBondContact O-N 3.3Å; L19-L21 VanDerWaalsContact C-N 3.33Å; L19-L21 PolarHBondContact O-N 3.4Å; L21-L25 HydrophobicContact CD2-CD1 3.57Å; L21-L25 HydrophobicContact CD2-CG 4.42Å; L21-L25 HydrophobicContact CG-CD1 4.47Å; L21-L25 VanDerWaalsContact O-CB 3.29Å; L21-L25 WeakPolarHBondContact O-CB 3.49Å; L21-L25 WeakPolarHBondContact O-CD1 3.46Å; L21-L25 WeakPolarHBondContact O-CG 3.33Å; L21-L25 PolarHBondContact O-N 3.28Å
22	L	58.5	Low	57.4	Low	70 Å²	70	105.6 Å²	105.6	37%	0.366	53%	0.532	S	S	.	.	H	α-helix	trans	-64	-43.1	171.3	-155.3	93.5	0	0	0	111.6	V18 L19 N20 L25 L26 L35	V18-L22 WeakPolarHBondContact O-CB 3.33Å; V18-L22 PolarHBondContact O-N 2.94Å; L19-L22 WeakPolarHBondContact O-CB 3.33Å; L19-L22 PolarHBondContact O-N 2.72Å; N20-L22 VanDerWaalsContact C-N 3.33Å; L22-L25 PolarHBondContact O-N 3.03Å; L22-L26 WeakPolarHBondContact O-CB 3.3Å; L22-L26 PolarHBondContact O-N 3.28Å; L22-L35 HydrophobicContact CD1-CD1 4.42Å
23	E	65.3	Low	57.6	Low	96 Å²	96	109.1 Å²	109.1	45%	0.449	54%	0.54	S	S	.	.	H	α-helix	trans	-66	-40.4	177.7	-161.1	-170.3	155.7	0	0	111.8	L19 N20 L25 L26 R27	L19-E23 PolarHBondContact O-N 3.31Å; N20-E23 PolarHBondContact O-N 3.4Å; E23-L25 VanDerWaalsContact C-N 3.34Å; E23-L26 PolarHBondContact O-N 2.91Å; E23-R27 WeakPolarHBondContact O-CG 3.28Å; E23-R27 PolarHBondContact O-N 2.85Å; E23-R27 IonicContact OE1-CZ 2.89Å; E23-R27 IonicContact OE1-NE 3.29Å; E23-R27 IonicContact OE1-NH2 3.4Å; E23-R27 PolarHBondContact OE1-NH2 2.84Å
24	I	62.5	Low	57.8	Low	99 Å²	99	107.4 Å²	107.4	51%	0.508	53%	0.531	S	S	.	.	H	α-helix	trans	-65.6	-39.1	175.3	-68.2	163.8	0	0	0	111	N20 R27 R28	N20-I24 WeakPolarHBondContact O-CB 3.38Å; N20-I24 WeakPolarHBondContact O-CD1 3.28Å; N20-I24 WeakPolarHBondContact O-CG1 3.28Å; N20-I24 PolarHBondContact O-N 3.03Å; I24-R27 PolarHBondContact O-N 2.9Å; I24-R28 PolarHBondContact O-N 3.4Å; I24-R28 VanDerWaalsContact O-N 3.12Å
25	L	54.7	Low	58.1	Low	30 Å²	30	103.8 Å²	103.8	16%	0.157	51%	0.512	C	S	.	.	H	α-helix	trans	-72.1	-28.9	176.2	-75.4	167.1	0	0	0	112.8	L21 L22 E23 L30 L35 I38	L21-L25 HydrophobicContact CD2-CD1 3.57Å; L21-L25 HydrophobicContact CD2-CG 4.42Å; L21-L25 HydrophobicContact CG-CD1 4.47Å; L21-L25 VanDerWaalsContact O-CB 3.29Å; L21-L25 WeakPolarHBondContact O-CB 3.49Å; L21-L25 WeakPolarHBondContact O-CD1 3.46Å; L21-L25 WeakPolarHBondContact O-CG 3.33Å; L21-L25 PolarHBondContact O-N 3.28Å; L22-L25 PolarHBondContact O-N 3.03Å; E23-L25 VanDerWaalsContact C-N 3.34Å; L25-L30 HydrophobicContact CD2-CD1 4.38Å; L25-L35 HydrophobicContact CB-CD1 3.77Å; L25-L35 HydrophobicContact CD1-CD1 4.32Å; L25-I38 HydrophobicContact CD1-CD1 3.68Å; L25-I38 HydrophobicContact CD2-CD1 4.38Å
26	L	58.6	Low	58.5	Low	131 Å²	131	103.5 Å²	103.5	69%	0.686	51%	0.511	S	S	*	.	H	α-helix	trans	-73.1	-34.5	173.1	-133.4	90.3	0	0	0	111.8	L22 E23	L22-L26 WeakPolarHBondContact O-CB 3.3Å; L22-L26 PolarHBondContact O-N 3.28Å; E23-L26 PolarHBondContact O-N 2.91Å
27	R	62.3	Low	58.7	Low	195 Å²	195	105.5 Å²	105.5	74%	0.736	52%	0.516	S	S	*	.	H	α-helix	trans	-76.9	-33.9	179.9	-77.7	-172.9	-170.2	-151.5	7.6	113.8	E23 I24	E23-R27 WeakPolarHBondContact O-CG 3.28Å; E23-R27 PolarHBondContact O-N 2.85Å; E23-R27 IonicContact OE1-CZ 2.89Å; E23-R27 IonicContact OE1-NE 3.29Å; E23-R27 IonicContact OE1-NH2 3.4Å; E23-R27 PolarHBondContact OE1-NH2 2.84Å; I24-R27 PolarHBondContact O-N 2.9Å
28	R	57	Low	59	Low	180 Å²	180	105.3 Å²	105.3	68%	0.679	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	112.8	171.7	-75.1	-179	168.5	-177.9	-2.2	106.9	I24 L30	I24-R28 PolarHBondContact O-N 3.4Å; I24-R28 VanDerWaalsContact O-N 3.12Å; R28-L30 HydrophobicContact CB-CD1 3.96Å; R28-L30 PolarHBondContact O-N 3.01Å
29	R	55.7	Low	59.4	Low	256 Å²	256	106.1 Å²	106.1	97%	0.966	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	62.5	173.9	-69.7	-179.4	175.4	177.1	-2.2	112.9
30	L	55	Low	59.5	Low	73 Å²	73	105.6 Å²	105.6	38%	0.382	51%	0.506	S	S	.	.			trans	-78.8	146.3	170.6	-103	114.2	0	0	0	108.1	L25 R28 L32 L34	L25-L30 HydrophobicContact CD2-CD1 4.38Å; R28-L30 HydrophobicContact CB-CD1 3.96Å; R28-L30 PolarHBondContact O-N 3.01Å; L30-L32 PolarHBondContact O-N 2.89Å; L30-L34 HydrophobicContact CD2-CB 4.11Å; L30-L34 HydrophobicContact CD2-CD1 3.9Å; L30-L34 HydrophobicContact CD2-CD2 3.89Å; L30-L34 HydrophobicContact CD2-CG 4.17Å
31	P	54.1	Low	59.5	Low	79 Å²	79	106.8 Å²	106.8	51%	0.513	51%	0.511	S	S	.	.			trans	-55.6	131.2	179	23.6	-33.4	0	0	0	109.4	Q33 L34	P31-Q33 PolarHBondContact O-N 2.94Å; P31-L34 PolarHBondContact O-N 3.44Å
32	L	55.4	Low	59.9	Low	147 Å²	147	104.7 Å²	104.7	77%	0.77	50%	0.502	S	S	*	.	H	α-helix	trans	-42.3	-29.6	177	-107.2	143.4	0	0	0	113.7	L30 L34 L35 L36	L30-L32 PolarHBondContact O-N 2.89Å; L32-L34 PolarHBondContact O-N 3.03Å; L32-L35 PolarHBondContact O-N 3.12Å; L32-L36 PolarHBondContact O-N 3.26Å
33	Q	50.7	Low	60.4	Low	148 Å²	148	105 Å²	105	69%	0.692	51%	0.507	S	S	*	.	H	α-helix	trans	-60.9	-37.6	176.1	-65.3	174.7	-15.6	0	0	113.4	P31 L36 I37	P31-Q33 PolarHBondContact O-N 2.94Å; Q33-L36 PolarHBondContact O-N 2.76Å; Q33-I37 WeakPolarHBondContact O-CD1 3.48Å; Q33-I37 VanDerWaalsContact O-CG1 3.24Å; Q33-I37 WeakPolarHBondContact O-CG1 3.43Å; Q33-I37 PolarHBondContact O-N 3.37Å; Q33-I37 VanDerWaalsContact O-N 3.11Å
34	L	53.7	Low	60.3	Low	77 Å²	77	105.4 Å²	105.4	40%	0.403	51%	0.512	S	S	.	.	H	α-helix	trans	-77.7	-32.5	-178.4	-151.3	140.4	0	0	0	111.8	L30 P31 L32 I38	L30-L34 HydrophobicContact CD2-CB 4.11Å; L30-L34 HydrophobicContact CD2-CD1 3.9Å; L30-L34 HydrophobicContact CD2-CD2 3.89Å; L30-L34 HydrophobicContact CD2-CG 4.17Å; P31-L34 PolarHBondContact O-N 3.44Å; L32-L34 PolarHBondContact O-N 3.03Å; L34-I38 HydrophobicContact CD2-CD1 3.68Å; L34-I38 HydrophobicContact CD2-CG1 4.37Å; L34-I38 VanDerWaalsContact O-CG1 3.31Å; L34-I38 WeakPolarHBondContact O-CG1 3.36Å; L34-I38 PolarHBondContact O-N 3.08Å; L34-I38 VanDerWaalsContact O-N 3.16Å
35	L	54.2	Low	60.4	Low	39 Å²	39	109.6 Å²	109.6	20%	0.204	52%	0.521	C	S	.	.	H	α-helix	trans	-64.3	-44.4	170.8	-168.9	93.9	0	0	0	110.7	L22 L25 L32 I37 I38 I39	L22-L35 HydrophobicContact CD1-CD1 4.42Å; L25-L35 HydrophobicContact CB-CD1 3.77Å; L25-L35 HydrophobicContact CD1-CD1 4.32Å; L32-L35 PolarHBondContact O-N 3.12Å; L35-I37 PolarHBondContact O-N 3.48Å; L35-I38 PolarHBondContact O-N 3.39Å; L35-I39 HydrophobicContact CD2-CD1 4.04Å; L35-I39 HydrophobicContact CG-CD1 4.02Å; L35-I39 VanDerWaalsContact O-CG1 3.3Å; L35-I39 WeakPolarHBondContact O-CG1 3.39Å; L35-I39 PolarHBondContact O-N 3.01Å
36	L	60.6	Low	60.9	Low	104 Å²	104	113.2 Å²	113.2	55%	0.545	54%	0.54	S	S	.	.	H	α-helix	trans	-60.5	-45.1	177.8	-166.1	87.2	0	0	0	111.7	L32 Q33 I38 I39 I40	L32-L36 PolarHBondContact O-N 3.26Å; Q33-L36 PolarHBondContact O-N 2.76Å; L36-I38 VanDerWaalsContact C-N 3.34Å; L36-I38 PolarHBondContact O-N 2.89Å; L36-I39 PolarHBondContact O-N 2.86Å; L36-I40 HydrophobicContact CD2-CD1 4.17Å; L36-I40 HydrophobicContact CG-CD1 4.02Å; L36-I40 VanDerWaalsContact O-CG1 3.29Å; L36-I40 WeakPolarHBondContact O-CG1 3.35Å; L36-I40 PolarHBondContact O-N 3.35Å
37	I	64.7	Low	61	Low	97 Å²	97	112.1 Å²	112.1	50%	0.497	53%	0.534	S	S	.	.	H	α-helix	trans	-61.8	-42.2	178.1	-69	163.8	0	0	0	111.2	Q33 L35 I40 L41	Q33-I37 WeakPolarHBondContact O-CD1 3.48Å; Q33-I37 VanDerWaalsContact O-CG1 3.24Å; Q33-I37 WeakPolarHBondContact O-CG1 3.43Å; Q33-I37 PolarHBondContact O-N 3.37Å; Q33-I37 VanDerWaalsContact O-N 3.11Å; L35-I37 PolarHBondContact O-N 3.48Å; I37-I40 PolarHBondContact O-N 2.88Å; I37-L41 HydrophobicContact CG2-CD1 4.02Å; I37-L41 WeakPolarHBondContact O-CG 3.5Å; I37-L41 PolarHBondContact O-N 2.87Å
38	I	65.2	Low	60.9	Low	51 Å²	51	107.5 Å²	107.5	26%	0.262	52%	0.523	S	S	.	.	H	α-helix	trans	-65.7	-41.5	177.9	-68.2	170.9	0	0	0	110.9	L25 L34 L35 L36 L41 V42	L25-I38 HydrophobicContact CD1-CD1 3.68Å; L25-I38 HydrophobicContact CD2-CD1 4.38Å; L34-I38 HydrophobicContact CD2-CD1 3.68Å; L34-I38 HydrophobicContact CD2-CG1 4.37Å; L34-I38 VanDerWaalsContact O-CG1 3.31Å; L34-I38 WeakPolarHBondContact O-CG1 3.36Å; L34-I38 PolarHBondContact O-N 3.08Å; L34-I38 VanDerWaalsContact O-N 3.16Å; L35-I38 PolarHBondContact O-N 3.39Å; L36-I38 VanDerWaalsContact C-N 3.34Å; L36-I38 PolarHBondContact O-N 2.89Å; I38-L41 PolarHBondContact O-N 2.77Å; I38-V42 VanDerWaalsContact O-CG2 3.32Å; I38-V42 WeakPolarHBondContact O-CG2 3.37Å; I38-V42 PolarHBondContact O-N 2.95Å
39	I	67.2	Low	61.2	Low	74 Å²	74	103 Å²	103	38%	0.379	51%	0.512	S	S	.	.	H	α-helix	trans	-62.5	-46.5	177	-68.5	165.9	0	0	0	110.7	L35 L36 L41 V42 V43	L35-I39 HydrophobicContact CD2-CD1 4.04Å; L35-I39 HydrophobicContact CG-CD1 4.02Å; L35-I39 VanDerWaalsContact O-CG1 3.3Å; L35-I39 WeakPolarHBondContact O-CG1 3.39Å; L35-I39 PolarHBondContact O-N 3.01Å; L36-I39 PolarHBondContact O-N 2.86Å; I39-L41 VanDerWaalsContact C-N 3.34Å; I39-L41 PolarHBondContact O-N 3.24Å; I39-V42 PolarHBondContact O-N 3.24Å; I39-V43 HydrophobicContact CG2-CG2 4.41Å; I39-V43 WeakPolarHBondContact O-CG2 3.45Å; I39-V43 PolarHBondContact O-N 2.77Å
40	I	67.3	Low	61.1	Low	94 Å²	94	93.5 Å²	93.5	48%	0.482	49%	0.485	S	S	.	.	H	α-helix	trans	-59.2	-44.9	177.7	-68.6	165.6	0	0	0	110.8	L36 I37 V42 V43 L44	L36-I40 HydrophobicContact CD2-CD1 4.17Å; L36-I40 HydrophobicContact CG-CD1 4.02Å; L36-I40 VanDerWaalsContact O-CG1 3.29Å; L36-I40 WeakPolarHBondContact O-CG1 3.35Å; L36-I40 PolarHBondContact O-N 3.35Å; I37-I40 PolarHBondContact O-N 2.88Å; I40-V42 PolarHBondContact O-N 3.47Å; I40-V43 PolarHBondContact O-N 2.85Å; I40-L44 WeakPolarHBondContact O-CB 3.16Å; I40-L44 PolarHBondContact O-N 3.4Å
41	L	66.6	Low	61.1	Low	107 Å²	107	95.3 Å²	95.3	56%	0.56	50%	0.495	S	S	*	.	H	α-helix	trans	-64.4	-37.5	178.7	-74	170.6	0	0	0	112.9	I37 I38 I39 R45	I37-L41 HydrophobicContact CG2-CD1 4.02Å; I37-L41 WeakPolarHBondContact O-CG 3.5Å; I37-L41 PolarHBondContact O-N 2.87Å; I38-L41 PolarHBondContact O-N 2.77Å; I39-L41 VanDerWaalsContact C-N 3.34Å; I39-L41 PolarHBondContact O-N 3.24Å; L41-R45 WeakPolarHBondContact O-CB 3.36Å; L41-R45 PolarHBondContact O-N 2.99Å; L41-R45 VanDerWaalsContact O-N 3.12Å
42	V	69.4	Low	61.2	Low	52 Å²	52	96.8 Å²	96.8	32%	0.315	50%	0.497	S	S	.	.	H	α-helix	trans	-68	-43.5	176.5	171.9	0	0	0	0	111	I38 I39 I40 R45 L46	I38-V42 VanDerWaalsContact O-CG2 3.32Å; I38-V42 WeakPolarHBondContact O-CG2 3.37Å; I38-V42 PolarHBondContact O-N 2.95Å; I39-V42 PolarHBondContact O-N 3.24Å; I40-V42 PolarHBondContact O-N 3.47Å; V42-R45 PolarHBondContact O-N 2.9Å; V42-L46 HydrophobicContact CG1-CD1 4.07Å; V42-L46 WeakPolarHBondContact O-CG 3.23Å; V42-L46 PolarHBondContact O-N 3.42Å
43	V	67.9	Low	60.9	Low	77 Å²	77	94.8 Å²	94.8	47%	0.467	49%	0.486	S	S	.	.	H	α-helix	trans	-65	-44.1	178	173.7	0	0	0	0	111.3	I39 I40 R45 L46 L47	I39-V43 HydrophobicContact CG2-CG2 4.41Å; I39-V43 WeakPolarHBondContact O-CG2 3.45Å; I39-V43 PolarHBondContact O-N 2.77Å; I40-V43 PolarHBondContact O-N 2.85Å; V43-R45 VanDerWaalsContact C-N 3.29Å; V43-R45 PolarHBondContact O-N 3.3Å; V43-L46 PolarHBondContact O-N 2.84Å; V43-L47 HydrophobicContact CG1-CD1 4.31Å; V43-L47 PolarHBondContact O-N 3.14Å
44	L	64.7	Low	60.9	Low	103 Å²	103	92 Å²	92	54%	0.539	48%	0.476	S	S	.	.	H	α-helix	trans	-61.1	-39.3	177.3	-160.1	102.4	0	0	0	111.7	I40 L47 L48	I40-L44 WeakPolarHBondContact O-CB 3.16Å; I40-L44 PolarHBondContact O-N 3.4Å; L44-L47 PolarHBondContact O-N 3.3Å; L44-L48 HydrophobicContact CD2-CD1 4.45Å; L44-L48 PolarHBondContact O-N 2.83Å
45	R	63.4	Low	60.6	Low	188 Å²	188	95.2 Å²	95.2	71%	0.709	49%	0.486	S	S	*	.	H	α-helix	trans	-69.5	-37.7	178	-150.8	-178.2	-168.5	-165	3.6	112	L41 V42 V43 I49	L41-R45 WeakPolarHBondContact O-CB 3.36Å; L41-R45 PolarHBondContact O-N 2.99Å; L41-R45 VanDerWaalsContact O-N 3.12Å; V42-R45 PolarHBondContact O-N 2.9Å; V43-R45 VanDerWaalsContact C-N 3.29Å; V43-R45 PolarHBondContact O-N 3.3Å; R45-I49 HydrophobicContact CG-CD1 4.48Å; R45-I49 WeakPolarHBondContact O-CD1 3.44Å; R45-I49 WeakPolarHBondContact O-CG1 3.5Å; R45-I49 PolarHBondContact O-N 2.84Å
46	L	65.2	Low	60.2	Low	106 Å²	106	101 Å²	101	56%	0.555	51%	0.506	S	S	*	.	H	α-helix	trans	-67.2	-39.8	174.4	-73.3	169.1	0	0	0	112	V42 V43 I49 S50	V42-L46 HydrophobicContact CG1-CD1 4.07Å; V42-L46 WeakPolarHBondContact O-CG 3.23Å; V42-L46 PolarHBondContact O-N 3.42Å; V43-L46 PolarHBondContact O-N 2.84Å; L46-I49 PolarHBondContact O-N 3.29Å; L46-S50 WeakPolarHBondContact O-CB 3.35Å; L46-S50 PolarHBondContact O-N 3.3Å
47	L	60.5	Low	59.4	Low	107 Å²	107	99.8 Å²	99.8	56%	0.56	50%	0.495	S	S	*	.	H	α-helix	trans	-62.4	-45.5	173.6	-94.2	164.9	0	0	0	111.8	V43 L44 I49 S50 L51	V43-L47 HydrophobicContact CG1-CD1 4.31Å; V43-L47 PolarHBondContact O-N 3.14Å; L44-L47 PolarHBondContact O-N 3.3Å; L47-I49 PolarHBondContact O-N 3.38Å; L47-S50 PolarHBondContact O-N 3.45Å; L47-L51 WeakPolarHBondContact O-CB 3.47Å; L47-L51 PolarHBondContact O-N 3.35Å
48	L	60.5	Low	58.4	Low	98 Å²	98	99.1 Å²	99.1	51%	0.513	49%	0.489	S	S	.	.	H	α-helix	trans	-60.3	-43.7	174.9	-98.8	157.4	0	0	0	112.3	L44 S50 L51 I52	L44-L48 HydrophobicContact CD2-CD1 4.45Å; L44-L48 PolarHBondContact O-N 2.83Å; L48-S50 VanDerWaalsContact C-N 3.33Å; L48-S50 PolarHBondContact O-N 2.89Å; L48-L51 PolarHBondContact O-N 2.87Å; L48-I52 WeakPolarHBondContact O-CB 3.38Å; L48-I52 WeakPolarHBondContact O-CD1 3.35Å; L48-I52 WeakPolarHBondContact O-CG1 3.25Å; L48-I52 PolarHBondContact O-N 2.77Å
49	I	63	Low	57.4	Low	86 Å²	86	100.2 Å²	100.2	44%	0.441	50%	0.496	S	S	.	.	H	α-helix	trans	-64.2	-40	176.6	-68.9	163.7	0	0	0	110.8	R45 L46 L47 L53	R45-I49 HydrophobicContact CG-CD1 4.48Å; R45-I49 WeakPolarHBondContact O-CD1 3.44Å; R45-I49 WeakPolarHBondContact O-CG1 3.5Å; R45-I49 PolarHBondContact O-N 2.84Å; L46-I49 PolarHBondContact O-N 3.29Å; L47-I49 PolarHBondContact O-N 3.38Å; I49-L53 HydrophobicContact CG2-CD1 3.87Å; I49-L53 WeakPolarHBondContact O-CB 3.47Å; I49-L53 WeakPolarHBondContact O-CG 3.41Å; I49-L53 PolarHBondContact O-N 3.39Å
50	S	54.8	Low	56.1	Low	57 Å²	57	102.5 Å²	102.5	40%	0.399	50%	0.504	S	S	.	.	H	α-helix	trans	-65.2	-43.9	176	-178.4	0	0	0	0	112.1	L46 L47 L48 L53 I54	L46-S50 WeakPolarHBondContact O-CB 3.35Å; L46-S50 PolarHBondContact O-N 3.3Å; L47-S50 PolarHBondContact O-N 3.45Å; L48-S50 VanDerWaalsContact C-N 3.33Å; L48-S50 PolarHBondContact O-N 2.89Å; S50-L53 PolarHBondContact O-N 3Å; S50-I54 WeakPolarHBondContact O-CB 3.49Å; S50-I54 WeakPolarHBondContact O-CD1 3.44Å; S50-I54 WeakPolarHBondContact O-CG1 3.37Å; S50-I54 PolarHBondContact O-N 2.83Å
51	L	54.1	Low	54.9	Low	111 Å²	111	99.4 Å²	99.4	58%	0.581	49%	0.491	S	S	*	.	H	α-helix	trans	-63.7	-42	176.7	-119.4	156.2	0	0	0	111.7	L47 L48 I54 F55	L47-L51 WeakPolarHBondContact O-CB 3.47Å; L47-L51 PolarHBondContact O-N 3.35Å; L48-L51 PolarHBondContact O-N 2.87Å; L51-I54 PolarHBondContact O-N 3.36Å; L51-F55 VanDerWaalsContact O-CB 3.29Å; L51-F55 WeakPolarHBondContact O-CB 3.38Å; L51-F55 PolarHBondContact O-N 2.86Å
52	I	56	Low	53.5	Low	109 Å²	109	96.1 Å²	96.1	56%	0.559	48%	0.477	S	S	*	.	H	α-helix	trans	-64.8	-41.4	175.1	-68	164.1	0	0	0	110.8	L48 F55 Y56	L48-I52 WeakPolarHBondContact O-CB 3.38Å; L48-I52 WeakPolarHBondContact O-CD1 3.35Å; L48-I52 WeakPolarHBondContact O-CG1 3.25Å; L48-I52 PolarHBondContact O-N 2.77Å; I52-F55 PolarHBondContact O-N 3.39Å; I52-Y56 WeakPolarHBondContact O-CB 3.44Å; I52-Y56 PolarHBondContact O-N 2.86Å
53	L	49.3	Very low	52.1	Low	105 Å²	105	97.3 Å²	97.3	55%	0.55	48%	0.479	S	S	.	.	H	α-helix	trans	-65.2	-41.5	175.4	-87.2	159.6	0	0	0	112.2	I49 S50 Y56 Y57	I49-L53 HydrophobicContact CG2-CD1 3.87Å; I49-L53 WeakPolarHBondContact O-CB 3.47Å; I49-L53 WeakPolarHBondContact O-CG 3.41Å; I49-L53 PolarHBondContact O-N 3.39Å; S50-L53 PolarHBondContact O-N 3Å; L53-Y56 PolarHBondContact O-N 2.87Å; L53-Y57 VanDerWaalsContact O-CB 3.29Å; L53-Y57 WeakPolarHBondContact O-CB 2.91Å; L53-Y57 PolarHBondContact O-N 3.48Å
54	I	50.6	Low	50.6	Low	91 Å²	91	98.4 Å²	98.4	47%	0.467	49%	0.489	S	S	.	.	H	α-helix	trans	-64.2	-45	176.1	-69.7	162.5	0	0	0	110	S50 L51 Y56 Y57 F58	S50-I54 WeakPolarHBondContact O-CB 3.49Å; S50-I54 WeakPolarHBondContact O-CD1 3.44Å; S50-I54 WeakPolarHBondContact O-CG1 3.37Å; S50-I54 PolarHBondContact O-N 2.83Å; L51-I54 PolarHBondContact O-N 3.36Å; I54-Y56 VanDerWaalsContact C-N 3.34Å; I54-Y56 PolarHBondContact O-N 2.71Å; I54-Y57 PolarHBondContact O-N 3.39Å; I54-F58 HydrophobicContact CG2-CD2 3.99Å; I54-F58 WeakPolarHBondContact O-CB 3.43Å; I54-F58 WeakPolarHBondContact O-CD2 3.44Å; I54-F58 PolarHBondContact O-N 2.92Å
55	F	47.9	Very low	49.5	Very low	143 Å²	143	98.4 Å²	98.4	63%	0.627	48%	0.482	S	S	*	.	H	α-helix	trans	-65	-37.9	177.4	-155.2	-92.3	0	0	0	112.1	L51 I52 N59	L51-F55 VanDerWaalsContact O-CB 3.29Å; L51-F55 WeakPolarHBondContact O-CB 3.38Å; L51-F55 PolarHBondContact O-N 2.86Å; I52-F55 PolarHBondContact O-N 3.39Å; F55-N59 WeakPolarHBondContact CD1-ND2 3.19Å; F55-N59 WeakPolarHBondContact CE1-ND2 3.44Å; F55-N59 PolarHBondContact O-N 3.48Å; F55-N59 PolarHBondContact O-ND2 3.45Å; F55-N59 VanDerWaalsContact O-ND2 3.17Å
56	Y	44.9	Very low	48.2	Very low	160 Å²	160	93.8 Å²	93.8	63%	0.627	47%	0.471	S	S	*	.	H	α-helix	trans	-66.2	-38.3	173.9	-172.1	-97.1	0	0	0	112.1	I52 L53 I54	I52-Y56 WeakPolarHBondContact O-CB 3.44Å; I52-Y56 PolarHBondContact O-N 2.86Å; L53-Y56 PolarHBondContact O-N 2.87Å; I54-Y56 VanDerWaalsContact C-N 3.34Å; I54-Y56 PolarHBondContact O-N 2.71Å
57	Y	43.7	Very low	47	Very low	79 Å²	79	93.7 Å²	93.7	31%	0.31	47%	0.47	S	S	.	.	H	α-helix	trans	-73.2	-37.6	179.1	-149.5	-91.3	0	0	0	112.6	L53 I54 N59 H60 L109 S110 F113	L53-Y57 VanDerWaalsContact O-CB 3.29Å; L53-Y57 WeakPolarHBondContact O-CB 2.91Å; L53-Y57 PolarHBondContact O-N 3.48Å; I54-Y57 PolarHBondContact O-N 3.39Å; Y57-N59 VanDerWaalsContact C-N 3.34Å; Y57-N59 PolarHBondContact O-N 3.1Å; Y57-H60 PolarHBondContact O-N 3.24Å; Y57-L109 PolarHBondContact OH-O 2.9Å; Y57-S110 PolarHBondContact OH-N 2.78Å; Y57-F113 HydrophobicContact CE1-CB 3.68Å; Y57-F113 HydrophobicContact CE1-CD1 4.39Å; Y57-F113 AromaticContact CE1-CD2 3.86Å; Y57-F113 HydrophobicContact CE1-CD2 3.86Å; Y57-F113 AromaticContact CE1-CG 3.72Å; Y57-F113 HydrophobicContact CE1-CG 3.72Å; Y57-F113 AromaticContact CZ-CD2 3.91Å
58	F	44.9	Very low	46.1	Very low	83 Å²	83	92.4 Å²	92.4	36%	0.364	47%	0.47	S	S	.	.	H	α-helix	trans	-63.2	-38.2	177.6	-106.7	-80.9	0	0	0	113.6	I54 S62 F117	I54-F58 HydrophobicContact CG2-CD2 3.99Å; I54-F58 WeakPolarHBondContact O-CB 3.43Å; I54-F58 WeakPolarHBondContact O-CD2 3.44Å; I54-F58 PolarHBondContact O-N 2.92Å; F58-S62 PolarHBondContact O-OG 2.69Å; F58-S62 VanDerWaalsContact O-OG 3.06Å; F58-F117 HydrophobicContact CD1-CE1 4.49Å; F58-F117 AromaticContact CE1-CD1 3.54Å; F58-F117 HydrophobicContact CE1-CD1 3.54Å; F58-F117 HydrophobicContact CE1-CD2 4.41Å; F58-F117 AromaticContact CE1-CE1 3.22Å; F58-F117 HydrophobicContact CE1-CE1 3.22Å; F58-F117 HydrophobicContact CE1-CE2 4.16Å; F58-F117 HydrophobicContact CE1-CG 4.12Å; F58-F117 AromaticContact CE1-CZ 3.58Å; F58-F117 HydrophobicContact CE1-CZ 3.58Å; F58-F117 HydrophobicContact CE2-CD2 4.06Å; F58-F117 HydrophobicContact CE2-CE1 4.05Å; F58-F117 AromaticContact CE2-CE2 3.47Å; F58-F117 HydrophobicContact CE2-CE2 3.47Å; F58-F117 VanDerWaalsContact CE2-CE2 3.47Å; F58-F117 AromaticContact CE2-CZ 3.47Å; F58-F117 HydrophobicContact CE2-CZ 3.47Å; F58-F117 VanDerWaalsContact CE2-CZ 3.47Å; F58-F117 AromaticContact CZ-CD1 3.34Å; F58-F117 HydrophobicContact CZ-CD1 3.34Å; F58-F117 AromaticContact CZ-CD2 3.41Å; F58-F117 HydrophobicContact CZ-CD2 3.41Å; F58-F117 VanDerWaalsContact CZ-CD2 3.41Å; F58-F117 AromaticContact CZ-CE1 3.02Å; F58-F117 HydrophobicContact CZ-CE1 3.02Å; F58-F117 AromaticContact CZ-CE2 3.08Å; F58-F117 HydrophobicContact CZ-CE2 3.08Å; F58-F117 AromaticContact CZ-CG 3.52Å; F58-F117 HydrophobicContact CZ-CG 3.52Å; F58-F117 AromaticContact CZ-CZ 2.88Å; F58-F117 HydrophobicContact CZ-CZ 2.88Å
59	N	42.9	Very low	45	Very low	75 Å²	75	90.6 Å²	90.6	40%	0.401	46%	0.458	S	S	.	.	H	α-helix	trans	-78.3	-19.7	-177.4	-76.2	-29.6	0	0	0	113.4	F55 Y57 F98	F55-N59 WeakPolarHBondContact CD1-ND2 3.19Å; F55-N59 WeakPolarHBondContact CE1-ND2 3.44Å; F55-N59 PolarHBondContact O-N 3.48Å; F55-N59 PolarHBondContact O-ND2 3.45Å; F55-N59 VanDerWaalsContact O-ND2 3.17Å; Y57-N59 VanDerWaalsContact C-N 3.34Å; Y57-N59 PolarHBondContact O-N 3.1Å; N59-F98 WeakPolarHBondContact O-CZ 2.94Å
60	H	40.4	Very low	43.8	Very low	122 Å²	122	90 Å²	90	57%	0.565	45%	0.453	S	S	*	.	H	α-helix	trans	-100.7	-17.8	-170.4	-130.1	-53.6	0	0	0	115.3	Y57	Y57-H60 PolarHBondContact O-N 3.24Å
61	S	42.4	Very low	43.2	Very low	28 Å²	28	93.8 Å²	93.8	20%	0.196	46%	0.464	C	S	.	.	H	α-helix	trans	-118.8	-1.5	-169.1	-161.2	0	0	0	0	115.4	C114	S61-C114 PolarHBondContact OG-SG 2.92Å
62	S	37.6	Very low	42.7	Very low	38 Å²	38	95.3 Å²	95.3	27%	0.266	46%	0.462	S	S	.	.	H	α-helix	trans	-86	-24.6	-168.7	44.4	0	0	0	0	114.7	F58 L66	F58-S62 PolarHBondContact O-OG 2.69Å; F58-S62 VanDerWaalsContact O-OG 3.06Å; S62-L66 WeakPolarHBondContact O-CB 3.37Å; S62-L66 VanDerWaalsContact O-CD1 3.31Å; S62-L66 WeakPolarHBondContact O-CD1 3.31Å; S62-L66 VanDerWaalsContact O-CG 3.3Å; S62-L66 WeakPolarHBondContact O-CG 3.39Å; S62-L66 PolarHBondContact O-N 2.86Å
63	H	38.8	Very low	41.8	Very low	77 Å²	77	92.9 Å²	92.9	36%	0.356	45%	0.448	S	S	.	.	H	α-helix	trans	-72	-37.4	-172.2	-106.1	-72.6	0	0	0	115.3	I67	H63-I67 WeakPolarHBondContact O-CD1 3.21Å; H63-I67 WeakPolarHBondContact O-CG1 3.2Å
64	C	38	Very low	41.3	Very low	100 Å²	100	93.2 Å²	93.2	68%	0.676	45%	0.45	S	S	*	.	H	α-helix	trans	-82.7	-29.4	-177.3	-68.2	0	0	0	0	113.4
65	Y	39.9	Very low	41.1	Very low	104 Å²	104	95.6 Å²	95.6	41%	0.408	46%	0.464	S	S	.	.	H	α-helix	trans	-83.9	-29.4	-178.3	-78.1	-85.7	0	0	0	113	F69 C114	Y65-F69 VanDerWaalsContact O-CB 3.28Å; Y65-F69 WeakPolarHBondContact O-CB 3.37Å; Y65-F69 PolarHBondContact O-N 2.75Å; Y65-C114 HydrophobicContact CD1-CB 3.63Å; Y65-C114 HydrophobicContact CD2-CB 3.69Å; Y65-C114 WeakPolarHBondContact CD2-SG 3.41Å; Y65-C114 HydrophobicContact CE1-CB 3.64Å; Y65-C114 HydrophobicContact CE2-CB 3.69Å; Y65-C114 WeakPolarHBondContact CE2-SG 3.31Å; Y65-C114 HydrophobicContact CG-CB 3.63Å
66	L	38	Very low	40.7	Very low	90 Å²	90	97.1 Å²	97.1	47%	0.471	47%	0.466	S	S	.	.	H	α-helix	trans	-67.2	-43.1	176	-78.3	166.7	0	0	0	111.3	S62 S68 F69 F70	S62-L66 WeakPolarHBondContact O-CB 3.37Å; S62-L66 VanDerWaalsContact O-CD1 3.31Å; S62-L66 WeakPolarHBondContact O-CD1 3.31Å; S62-L66 VanDerWaalsContact O-CG 3.3Å; S62-L66 WeakPolarHBondContact O-CG 3.39Å; S62-L66 PolarHBondContact O-N 2.86Å; L66-S68 PolarHBondContact O-N 3.33Å; L66-F69 WeakPolarHBondContact O-CB 3.09Å; L66-F69 PolarHBondContact O-N 3.4Å; L66-F70 HydrophobicContact CB-CD2 4.25Å; L66-F70 HydrophobicContact CB-CE2 4.19Å; L66-F70 HydrophobicContact CD2-CE2 4.04Å; L66-F70 WeakPolarHBondContact O-CD2 3.28Å; L66-F70 PolarHBondContact O-N 2.69Å
67	I	39.9	Very low	40.2	Very low	104 Å²	104	92.6 Å²	92.6	53%	0.533	45%	0.453	S	S	.	.	H	α-helix	trans	-62.2	-46.7	-176.8	-65.1	169.6	0	0	0	112	H63 F69 F70 E71	H63-I67 WeakPolarHBondContact O-CD1 3.21Å; H63-I67 WeakPolarHBondContact O-CG1 3.2Å; I67-F69 VanDerWaalsContact C-N 3.29Å; I67-F69 PolarHBondContact O-N 3.16Å; I67-F70 PolarHBondContact O-N 2.89Å; I67-E71 PolarHBondContact O-N 3.14Å
68	S	40.1	Very low	39.6	Very low	80 Å²	80	93 Å²	93	56%	0.559	47%	0.465	S	S	*	.	H	α-helix	trans	-68.2	-30.2	177.6	-54.4	0	0	0	0	112.7	L66 W72	L66-S68 PolarHBondContact O-N 3.33Å; S68-W72 PolarHBondContact O-N 2.68Å
69	F	38.6	Very low	39.4	Very low	61 Å²	61	95.2 Å²	95.2	27%	0.268	49%	0.491	S	S	.	.	H	α-helix	trans	-69.8	-36	173.7	-163.2	-91.4	0	0	0	111.6	Y65 L66 I67 W72 F73 V122	Y65-F69 VanDerWaalsContact O-CB 3.28Å; Y65-F69 WeakPolarHBondContact O-CB 3.37Å; Y65-F69 PolarHBondContact O-N 2.75Å; L66-F69 WeakPolarHBondContact O-CB 3.09Å; L66-F69 PolarHBondContact O-N 3.4Å; I67-F69 VanDerWaalsContact C-N 3.29Å; I67-F69 PolarHBondContact O-N 3.16Å; F69-W72 HydrophobicContact CE2-CE3 4.48Å; F69-W72 HydrophobicContact CZ-CE3 4.38Å; F69-W72 HydrophobicContact CZ-CZ3 4.44Å; F69-W72 PolarHBondContact O-N 3.34Å; F69-F73 AromaticContact CE1-CD2 3.67Å; F69-F73 HydrophobicContact CE1-CD2 3.67Å; F69-F73 HydrophobicContact CE1-CE2 4.13Å; F69-F73 HydrophobicContact CZ-CD2 4.02Å; F69-F73 HydrophobicContact CZ-CE2 4.33Å; F69-F73 WeakPolarHBondContact O-CB 3.27Å; F69-F73 PolarHBondContact O-N 3.5Å; F69-V122 HydrophobicContact CE1-CG2 3.77Å; F69-V122 HydrophobicContact CE2-CG2 3.59Å; F69-V122 HydrophobicContact CZ-CB 4.5Å; F69-V122 HydrophobicContact CZ-CG2 3.01Å
70	F	36.6	Very low	39.2	Very low	74 Å²	74	96 Å²	96	33%	0.325	50%	0.503	S	S	.	.	H	α-helix	trans	-72.2	-37.7	177.8	-85.1	-68.5	0	0	0	113.6	L66 I67 W72 F73 N74 F87	L66-F70 HydrophobicContact CB-CD2 4.25Å; L66-F70 HydrophobicContact CB-CE2 4.19Å; L66-F70 HydrophobicContact CD2-CE2 4.04Å; L66-F70 WeakPolarHBondContact O-CD2 3.28Å; L66-F70 PolarHBondContact O-N 2.69Å; I67-F70 PolarHBondContact O-N 2.89Å; F70-W72 VanDerWaalsContact C-N 3.31Å; F70-F73 PolarHBondContact O-N 3.39Å; F70-N74 WeakPolarHBondContact O-CB 3.39Å; F70-N74 PolarHBondContact O-N 3.4Å; F70-F87 AromaticContact CE1-CD1 3.83Å; F70-F87 HydrophobicContact CE1-CD1 3.83Å; F70-F87 AromaticContact CE1-CE1 3.75Å; F70-F87 HydrophobicContact CE1-CE1 3.75Å; F70-F87 HydrophobicContact CE1-CZ 4.38Å; F70-F87 AromaticContact CZ-CD1 3.74Å; F70-F87 HydrophobicContact CZ-CD1 3.74Å; F70-F87 AromaticContact CZ-CE1 3.57Å; F70-F87 HydrophobicContact CZ-CE1 3.57Å
71	E	43.1	Very low	39.1	Very low	135 Å²	135	96.2 Å²	96.2	63%	0.631	50%	0.503	S	S	*	.	H	α-helix	trans	-63.5	-38.7	172	-82.3	-173.9	150.5	0	0	111.8	I67 N75	I67-E71 PolarHBondContact O-N 3.14Å; E71-N75 PolarHBondContact O-N 3.33Å; E71-N75 PolarHBondContact O-ND2 2.9Å
72	W	44.4	Very low	38.6	Very low	143 Å²	143	98.9 Å²	98.9	54%	0.542	52%	0.522	S	S	.	.	H	α-helix	trans	-66.4	-40.5	175.7	-172.8	80.1	0	0	0	112	S68 F69 F70 N75 Y76	S68-W72 PolarHBondContact O-N 2.68Å; F69-W72 HydrophobicContact CE2-CE3 4.48Å; F69-W72 HydrophobicContact CZ-CE3 4.38Å; F69-W72 HydrophobicContact CZ-CZ3 4.44Å; F69-W72 PolarHBondContact O-N 3.34Å; F70-W72 VanDerWaalsContact C-N 3.31Å; W72-N75 PolarHBondContact O-N 3.29Å; W72-Y76 AromaticContact CE2-CE2 3.87Å; W72-Y76 HydrophobicContact CZ2-CD2 4.37Å; W72-Y76 AromaticContact CZ2-CE2 3.87Å; W72-Y76 HydrophobicContact CZ2-CE2 3.87Å; W72-Y76 AromaticContact NE1-CE2 4Å
73	F	37.1	Very low	38.7	Very low	59 Å²	59	101.5 Å²	101.5	26%	0.259	53%	0.533	S	S	.	.	H	α-helix	trans	-73.1	-34.9	-178.6	-137.1	-91.7	0	0	0	113.4	F69 F70 N75 Y76 L77 W125	F69-F73 AromaticContact CE1-CD2 3.67Å; F69-F73 HydrophobicContact CE1-CD2 3.67Å; F69-F73 HydrophobicContact CE1-CE2 4.13Å; F69-F73 HydrophobicContact CZ-CD2 4.02Å; F69-F73 HydrophobicContact CZ-CE2 4.33Å; F69-F73 WeakPolarHBondContact O-CB 3.27Å; F69-F73 PolarHBondContact O-N 3.5Å; F70-F73 PolarHBondContact O-N 3.39Å; F73-N75 VanDerWaalsContact C-N 3.26Å; F73-N75 PolarHBondContact O-N 2.84Å; F73-Y76 PolarHBondContact O-N 3.49Å; F73-Y76 VanDerWaalsContact O-N 3.15Å; F73-L77 HydrophobicContact CD1-CD1 3.64Å; F73-L77 HydrophobicContact CE1-CD1 3.79Å; F73-W125 AromaticContact CZ-CD1 3.95Å
74	N	37.5	Very low	38.6	Very low	112 Å²	112	102.4 Å²	102.4	60%	0.599	54%	0.539	S	S	*	.	H	α-helix	trans	-66.4	-26.3	176.2	-91.4	-25.8	0	0	0	113.2	F70 Y76	F70-N74 WeakPolarHBondContact O-CB 3.39Å; F70-N74 PolarHBondContact O-N 3.4Å; N74-Y76 PolarHBondContact O-N 3.07Å
75	N	46.3	Very low	38.6	Very low	141 Å²	141	102.1 Å²	102.1	75%	0.754	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-12	175	-73.5	-30	0	0	0	113.5	E71 W72 F73	E71-N75 PolarHBondContact O-N 3.33Å; E71-N75 PolarHBondContact O-ND2 2.9Å; W72-N75 PolarHBondContact O-N 3.29Å; F73-N75 VanDerWaalsContact C-N 3.26Å; F73-N75 PolarHBondContact O-N 2.84Å
76	Y	39.1	Very low	38.3	Very low	174 Å²	174	100.8 Å²	100.8	68%	0.682	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.7	-7.4	-176.9	-90.6	-84.2	0	0	0	114.7	W72 F73 N74	W72-Y76 AromaticContact CE2-CE2 3.87Å; W72-Y76 HydrophobicContact CZ2-CD2 4.37Å; W72-Y76 AromaticContact CZ2-CE2 3.87Å; W72-Y76 HydrophobicContact CZ2-CE2 3.87Å; W72-Y76 AromaticContact NE1-CE2 4Å; F73-Y76 PolarHBondContact O-N 3.49Å; F73-Y76 VanDerWaalsContact O-N 3.15Å; N74-Y76 PolarHBondContact O-N 3.07Å
77	L	34.8	Very low	38	Very low	65 Å²	65	99.4 Å²	99.4	34%	0.34	53%	0.532	S	S	.	.	S	Bend	trans	-96.4	136.6	177.6	-98.4	108.4	0	0	0	112.3	F73 S79 H81 L83	F73-L77 HydrophobicContact CD1-CD1 3.64Å; F73-L77 HydrophobicContact CE1-CD1 3.79Å; L77-S79 PolarHBondContact O-N 2.88Å; L77-H81 HydrophobicContact CD2-CB 4.21Å; L77-L83 HydrophobicContact CD2-CD1 4.49Å
78	P	30.6	Very low	37.7	Very low	87 Å²	87	101.3 Å²	101.3	57%	0.565	54%	0.537	S	S	*	.			trans	-58.6	135.7	170.9	-15.6	27.7	0	0	0	110.3	S80 H81	P78-S80 PolarHBondContact O-N 2.88Å; P78-H81 PolarHBondContact O-N 2.72Å
79	S	41	Very low	37.4	Very low	131 Å²	131	105.8 Å²	105.8	92%	0.916	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-8.2	-175.8	52.3	0	0	0	0	116.1	L77	L77-S79 PolarHBondContact O-N 2.88Å
80	S	38.8	Very low	37.1	Very low	92 Å²	92	109.4 Å²	109.4	64%	0.643	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	-10.1	178.1	56.7	0	0	0	0	114.7	P78	P78-S80 PolarHBondContact O-N 2.88Å
81	H	39.4	Very low	37.2	Very low	126 Å²	126	109.1 Å²	109.1	58%	0.583	56%	0.563	S	S	*	*			trans	-120.8	65.7	179	-65.5	-61.9	0	0	0	111.1	L77 P78 L83	L77-H81 HydrophobicContact CD2-CB 4.21Å; P78-H81 PolarHBondContact O-N 2.72Å; H81-L83 VanDerWaalsContact C-N 3.33Å; H81-L83 PolarHBondContact O-N 3Å
82	S	32	Very low	36.8	Very low	84 Å²	84	107.9 Å²	107.9	59%	0.587	56%	0.557	S	S	*	*			trans	-63	94.3	165.8	167.5	0	0	0	0	109.5	I84	S82-I84 PolarHBondContact O-N 3.36Å; S82-I84 WeakPolarHBondContact OG-CD1 3.48Å; S82-I84 WeakPolarHBondContact OG-CG1 3.46Å
83	L	38.3	Very low	36.3	Very low	93 Å²	93	107.2 Å²	107.2	49%	0.487	56%	0.563	S	S	.	*			trans	-83.1	26.5	171.5	-76	166	0	0	0	111.7	L77 H81 S85 P86	L77-L83 HydrophobicContact CD2-CD1 4.49Å; H81-L83 VanDerWaalsContact C-N 3.33Å; H81-L83 PolarHBondContact O-N 3Å; L83-S85 PolarHBondContact O-N 3.43Å; L83-P86 WeakPolarHBondContact O-CD 3.4Å
84	I	37.5	Very low	36.3	Very low	95 Å²	95	108.1 Å²	108.1	49%	0.487	57%	0.57	S	S	.	*	H	α-helix	trans	-71.3	-32.2	-172	-59.8	174.6	0	0	0	110.9	S82 F88	S82-I84 PolarHBondContact O-N 3.36Å; S82-I84 WeakPolarHBondContact OG-CD1 3.48Å; S82-I84 WeakPolarHBondContact OG-CG1 3.46Å; I84-F88 HydrophobicContact CG2-CD2 3.76Å; I84-F88 HydrophobicContact CG2-CE2 3.78Å; I84-F88 WeakPolarHBondContact O-CD2 3.39Å; I84-F88 PolarHBondContact O-N 3.35Å
85	S	37.1	Very low	36	Very low	94 Å²	94	105.2 Å²	105.2	66%	0.657	56%	0.559	S	S	*	*	H	α-helix	trans	-77.6	-37.2	-171.1	78.2	0	0	0	0	116.8	L83	L83-S85 PolarHBondContact O-N 3.43Å
86	P	34.6	Very low	35.2	Very low	76 Å²	76	105 Å²	105	49%	0.494	56%	0.557	S	S	.	*	H	α-helix	trans	-80.9	-25.3	-179.2	-9.4	27.4	0	0	0	112.3	L83 F90	L83-P86 WeakPolarHBondContact O-CD 3.4Å; P86-F90 PolarHBondContact O-N 3.16Å
87	F	31.9	Very low	35	Very low	61 Å²	61	102.2 Å²	102.2	27%	0.268	56%	0.558	S	S	.	*	H	α-helix	trans	-79.7	-34.6	-177.4	-98	-83.3	0	0	0	113	F70 Y89 F90 V91 W125	F70-F87 AromaticContact CE1-CD1 3.83Å; F70-F87 HydrophobicContact CE1-CD1 3.83Å; F70-F87 AromaticContact CE1-CE1 3.75Å; F70-F87 HydrophobicContact CE1-CE1 3.75Å; F70-F87 HydrophobicContact CE1-CZ 4.38Å; F70-F87 AromaticContact CZ-CD1 3.74Å; F70-F87 HydrophobicContact CZ-CD1 3.74Å; F70-F87 AromaticContact CZ-CE1 3.57Å; F70-F87 HydrophobicContact CZ-CE1 3.57Å; F87-Y89 VanDerWaalsContact C-N 3.28Å; F87-Y89 PolarHBondContact O-N 3.16Å; F87-F90 PolarHBondContact O-N 2.66Å; F87-V91 WeakPolarHBondContact O-CG2 3.16Å; F87-V91 PolarHBondContact O-N 2.91Å; F87-W125 AromaticContact CE2-CH2 3.63Å; F87-W125 HydrophobicContact CE2-CH2 3.63Å; F87-W125 AromaticContact CE2-CZ2 3.8Å; F87-W125 HydrophobicContact CE2-CZ2 3.8Å; F87-W125 AromaticContact CZ-CH2 3.47Å; F87-W125 HydrophobicContact CZ-CH2 3.47Å; F87-W125 VanDerWaalsContact CZ-CH2 3.47Å; F87-W125 AromaticContact CZ-CZ2 3.77Å; F87-W125 HydrophobicContact CZ-CZ2 3.77Å; F87-W125 AromaticContact CZ-CZ3 3.99Å; F87-W125 HydrophobicContact CZ-CZ3 3.99Å
88	F	33.7	Very low	34.8	Very low	145 Å²	145	103.1 Å²	103.1	64%	0.636	56%	0.559	S	S	*	*	H	α-helix	trans	-60.9	-39.2	172.9	-98.6	-90	0	0	0	111.7	I84 F90 V91 E92	I84-F88 HydrophobicContact CG2-CD2 3.76Å; I84-F88 HydrophobicContact CG2-CE2 3.78Å; I84-F88 WeakPolarHBondContact O-CD2 3.39Å; I84-F88 PolarHBondContact O-N 3.35Å; F88-F90 VanDerWaalsContact C-N 3.33Å; F88-F90 PolarHBondContact O-N 2.72Å; F88-V91 PolarHBondContact O-N 2.93Å; F88-E92 WeakPolarHBondContact O-CB 3.35Å; F88-E92 PolarHBondContact O-N 3.34Å
89	Y	32.6	Very low	34.7	Very low	174 Å²	174	104.8 Å²	104.8	68%	0.682	57%	0.573	S	S	*	*	H	α-helix	trans	-63.7	-36.7	175.6	-110.6	-87.7	0	0	0	113	F87 L93	F87-Y89 VanDerWaalsContact C-N 3.28Å; F87-Y89 PolarHBondContact O-N 3.16Å; Y89-L93 VanDerWaalsContact O-CB 3.28Å; Y89-L93 WeakPolarHBondContact O-CB 3.29Å; Y89-L93 PolarHBondContact O-N 3.38Å
90	F	33.2	Very low	34.4	Very low	137 Å²	137	102.3 Å²	102.3	60%	0.601	56%	0.56	S	S	*	*	H	α-helix	trans	-74.4	-38.2	179.6	-146.2	-90.5	0	0	0	111.9	P86 F87 F88 I94	P86-F90 PolarHBondContact O-N 3.16Å; F87-F90 PolarHBondContact O-N 2.66Å; F88-F90 VanDerWaalsContact C-N 3.33Å; F88-F90 PolarHBondContact O-N 2.72Å; F90-I94 HydrophobicContact CD1-CD1 3.83Å; F90-I94 HydrophobicContact CE1-CD1 4.02Å; F90-I94 WeakPolarHBondContact O-CD1 3.41Å; F90-I94 VanDerWaalsContact O-CG1 3.31Å; F90-I94 WeakPolarHBondContact O-CG1 3.14Å; F90-I94 PolarHBondContact O-N 3.34Å
91	V	38.7	Very low	34.2	Very low	68 Å²	68	105.5 Å²	105.5	41%	0.412	57%	0.569	S	S	.	*	H	α-helix	trans	-67.3	-40.9	173.8	174.2	0	0	0	0	110.4	F87 F88 I94 S95	F87-V91 WeakPolarHBondContact O-CG2 3.16Å; F87-V91 PolarHBondContact O-N 2.91Å; F88-V91 PolarHBondContact O-N 2.93Å; V91-I94 PolarHBondContact O-N 2.84Å; V91-S95 WeakPolarHBondContact O-CB 3.34Å; V91-S95 PolarHBondContact O-N 2.95Å; V91-S95 PolarHBondContact O-OG 3Å
92	E	34.6	Very low	33.9	Very low	109 Å²	109	105.8 Å²	105.8	51%	0.509	58%	0.58	S	S	.	*	H	α-helix	trans	-70.2	-35	179.3	-159.8	170.3	-151.2	0	0	112.3	F88 I94 S95 L96	F88-E92 WeakPolarHBondContact O-CB 3.35Å; F88-E92 PolarHBondContact O-N 3.34Å; E92-I94 VanDerWaalsContact C-N 3.34Å; E92-I94 PolarHBondContact O-N 2.78Å; E92-S95 PolarHBondContact O-N 2.72Å; E92-L96 HydrophobicContact CG-CD1 4.44Å; E92-L96 WeakPolarHBondContact O-CD1 3.2Å; E92-L96 PolarHBondContact O-N 2.94Å; E92-L96 VanDerWaalsContact O-N 3.08Å
93	L	34.3	Very low	34	Very low	128 Å²	128	106.7 Å²	106.7	67%	0.67	59%	0.587	S	S	*	*	H	α-helix	trans	-65.4	-36.1	173.6	-157.7	85.4	0	0	0	112.4	Y89	Y89-L93 VanDerWaalsContact O-CB 3.28Å; Y89-L93 WeakPolarHBondContact O-CB 3.29Å; Y89-L93 PolarHBondContact O-N 3.38Å
94	I	35.9	Very low	34.1	Very low	79 Å²	79	107.1 Å²	107.1	41%	0.405	60%	0.598	S	S	.	*	H	α-helix	trans	-74.4	-36	174	-65.9	166.9	0	0	0	110.1	F90 V91 E92 L96 T97 F98	F90-I94 HydrophobicContact CD1-CD1 3.83Å; F90-I94 HydrophobicContact CE1-CD1 4.02Å; F90-I94 WeakPolarHBondContact O-CD1 3.41Å; F90-I94 VanDerWaalsContact O-CG1 3.31Å; F90-I94 WeakPolarHBondContact O-CG1 3.14Å; F90-I94 PolarHBondContact O-N 3.34Å; V91-I94 PolarHBondContact O-N 2.84Å; E92-I94 VanDerWaalsContact C-N 3.34Å; E92-I94 PolarHBondContact O-N 2.78Å; I94-L96 VanDerWaalsContact C-N 3.34Å; I94-L96 PolarHBondContact O-N 2.98Å; I94-T97 PolarHBondContact O-OG1 3.43Å; I94-F98 HydrophobicContact CG2-CE2 4.21Å; I94-F98 VanDerWaalsContact O-CD2 3.22Å; I94-F98 WeakPolarHBondContact O-CD2 3.46Å
95	S	32.6	Very low	34	Very low	50 Å²	50	107.4 Å²	107.4	35%	0.35	61%	0.608	S	S	.	*	H	α-helix	trans	-69.3	-25.1	-179	-55.8	0	0	0	0	114.2	V91 E92 T97 F98	V91-S95 WeakPolarHBondContact O-CB 3.34Å; V91-S95 PolarHBondContact O-N 2.95Å; V91-S95 PolarHBondContact O-OG 3Å; E92-S95 PolarHBondContact O-N 2.72Å; S95-T97 PolarHBondContact O-N 2.74Å; S95-T97 VanDerWaalsContact O-N 3.17Å; S95-F98 PolarHBondContact O-N 2.87Å
96	L	29.8	Very low	34.3	Very low	137 Å²	137	109.8 Å²	109.8	72%	0.717	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	-13.8	-172.4	-121.8	96.6	0	0	0	114.7	E92 I94	E92-L96 HydrophobicContact CG-CD1 4.44Å; E92-L96 WeakPolarHBondContact O-CD1 3.2Å; E92-L96 PolarHBondContact O-N 2.94Å; E92-L96 VanDerWaalsContact O-N 3.08Å; I94-L96 VanDerWaalsContact C-N 3.34Å; I94-L96 PolarHBondContact O-N 2.98Å
97	T	34	Very low	34.5	Very low	115 Å²	115	111.5 Å²	111.5	71%	0.706	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.2	0.2	179	54.9	0	0	0	0	113.6	I94 S95	I94-T97 PolarHBondContact O-OG1 3.43Å; S95-T97 PolarHBondContact O-N 2.74Å; S95-T97 VanDerWaalsContact O-N 3.17Å
98	F	29.6	Very low	35	Very low	84 Å²	84	113 Å²	113	37%	0.368	64%	0.641	S	S	.	*			trans	-97.1	-0.3	-165	-98.3	-94.8	0	0	0	116.7	N59 I94 S95 A100	N59-F98 WeakPolarHBondContact O-CZ 2.94Å; I94-F98 HydrophobicContact CG2-CE2 4.21Å; I94-F98 VanDerWaalsContact O-CD2 3.22Å; I94-F98 WeakPolarHBondContact O-CD2 3.46Å; S95-F98 PolarHBondContact O-N 2.87Å; F98-A100 PolarHBondContact O-N 2.88Å; F98-A100 VanDerWaalsContact O-N 3.13Å
99	S	29.3	Very low	35.5	Very low	123 Å²	123	110.7 Å²	110.7	86%	0.86	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	1.7	-175	51.8	0	0	0	0	115.2
100	A	33.7	Very low	35.9	Very low	78 Å²	78	103.4 Å²	103.4	65%	0.645	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.4	-12.7	-164	0	0	0	0	0	117.8	F98	F98-A100 PolarHBondContact O-N 2.88Å; F98-A100 VanDerWaalsContact O-N 3.13Å
101	L	35	Very low	36.3	Very low	159 Å²	159	104 Å²	104	83%	0.832	61%	0.608	S	S	*	*			trans	-149	70	-163	-132.3	74	0	0	0	115.5
102	T	32.9	Very low	36.6	Very low	132 Å²	132	104.6 Å²	104.6	81%	0.81	61%	0.608	S	S	*	*			trans	-101.2	113.7	171.7	47.9	0	0	0	0	110.8
103	S	34.7	Very low	37	Very low	103 Å²	103	104.3 Å²	104.3	72%	0.72	61%	0.605	S	S	*	*			trans	174.8	117	140.1	40.9	0	0	0	0	115.2
104	S	39.7	Very low	37.3	Very low	103 Å²	103	98.8 Å²	98.8	72%	0.72	58%	0.577	S	S	*	*			trans	92.8	111.8	137	71.7	0	0	0	0	122.8
105	S	36.9	Very low	37.7	Very low	100 Å²	100	99.1 Å²	99.1	70%	0.699	58%	0.579	S	S	*	*			trans	86.8	85.5	131.4	68.6	0	0	0	0	121.4
106	L	42.3	Very low	38.3	Very low	145 Å²	145	101.3 Å²	101.3	76%	0.759	59%	0.586	S	S	*	*			trans	-164.9	84.2	151.9	-101.8	138.4	0	0	0	112
107	P	40	Very low	39.1	Very low	112 Å²	112	99.5 Å²	99.5	73%	0.727	57%	0.573	S	S	*	*			trans	-96.4	-2.8	-172.5	34.1	-31.9	0	0	0	116.7	S110	P107-S110 PolarHBondContact O-OG 3.25Å
108	S	41.2	Very low	39.4	Very low	91 Å²	91	96 Å²	96	64%	0.636	55%	0.553	S	S	*	*	S	Bend	trans	-96.2	-18.3	-167.3	57.2	0	0	0	0	116.5
109	L	44.1	Very low	40	Very low	97 Å²	97	94.3 Å²	94.3	51%	0.508	55%	0.554	S	S	.	*	S	Bend	trans	-104.5	-9.6	176.9	-79.2	159.8	0	0	0	113	Y57 W111 F113	Y57-L109 PolarHBondContact OH-O 2.9Å; L109-W111 VanDerWaalsContact C-N 3.34Å; L109-W111 PolarHBondContact O-N 3.29Å; L109-F113 WeakPolarHBondContact O-CD2 3.23Å
110	S	41.4	Very low	40.8	Very low	21 Å²	21	92.9 Å²	92.9	15%	0.147	54%	0.537	C	S	.	.	H	α-helix	trans	-66.3	-33.2	-174	65.5	0	0	0	0	112.9	Y57 P107 I112 F113 C114	Y57-S110 PolarHBondContact OH-N 2.78Å; P107-S110 PolarHBondContact O-OG 3.25Å; S110-I112 PolarHBondContact O-N 2.9Å; S110-F113 PolarHBondContact O-N 3.44Å; S110-C114 VanDerWaalsContact O-CB 3.25Å; S110-C114 WeakPolarHBondContact O-CB 3.28Å; S110-C114 PolarHBondContact O-N 3.31Å; S110-C114 PolarHBondContact O-SG 3.05Å
111	W	41.7	Very low	41.2	Very low	151 Å²	151	90.9 Å²	90.9	57%	0.572	52%	0.524	S	S	*	.	H	α-helix	trans	-66.9	-37.8	-174.8	91.9	-74.8	0	0	0	112.8	L109 C114 I115	L109-W111 VanDerWaalsContact C-N 3.34Å; L109-W111 PolarHBondContact O-N 3.29Å; W111-C114 PolarHBondContact O-N 3.03Å; W111-I115 HydrophobicContact CD2-CD1 4.16Å; W111-I115 HydrophobicContact CE3-CD1 3.22Å; W111-I115 HydrophobicContact CE3-CG1 4.46Å; W111-I115 HydrophobicContact CH2-CD1 4.26Å; W111-I115 HydrophobicContact CZ3-CD1 3.29Å; W111-I115 WeakPolarHBondContact O-CB 3.42Å; W111-I115 VanDerWaalsContact O-CG1 3.25Å; W111-I115 WeakPolarHBondContact O-CG1 3.49Å; W111-I115 PolarHBondContact O-N 3.49Å
112	I	44.4	Very low	41.8	Very low	80 Å²	80	84.8 Å²	84.8	41%	0.41	49%	0.493	S	S	.	.	H	α-helix	trans	-68.7	-44.9	179	-54.5	-178.3	0	0	0	110	S110 I115 L116	S110-I112 PolarHBondContact O-N 2.9Å; I112-I115 PolarHBondContact O-N 2.98Å; I112-L116 HydrophobicContact CG2-CD1 4.12Å; I112-L116 WeakPolarHBondContact O-CB 3.5Å; I112-L116 PolarHBondContact O-N 2.83Å
113	F	43.2	Very low	42.4	Very low	102 Å²	102	83.9 Å²	83.9	45%	0.447	48%	0.483	S	S	.	.	H	α-helix	trans	-66.8	-38.4	177.2	-83.2	-78.7	0	0	0	111.9	Y57 L109 S110 L116 F117	Y57-F113 HydrophobicContact CE1-CB 3.68Å; Y57-F113 HydrophobicContact CE1-CD1 4.39Å; Y57-F113 AromaticContact CE1-CD2 3.86Å; Y57-F113 HydrophobicContact CE1-CD2 3.86Å; Y57-F113 AromaticContact CE1-CG 3.72Å; Y57-F113 HydrophobicContact CE1-CG 3.72Å; Y57-F113 AromaticContact CZ-CD2 3.91Å; L109-F113 WeakPolarHBondContact O-CD2 3.23Å; S110-F113 PolarHBondContact O-N 3.44Å; F113-L116 PolarHBondContact O-N 3.31Å; F113-F117 WeakPolarHBondContact O-CB 3.37Å; F113-F117 PolarHBondContact O-N 3.28Å
114	C	41.1	Very low	43	Very low	12 Å²	12	85.9 Å²	85.9	8%	0.081	48%	0.478	C	S	.	.	H	α-helix	trans	-68.3	-33.3	175.6	-72	0	0	0	0	113.1	S61 Y65 S110 W111 S118	S61-C114 PolarHBondContact OG-SG 2.92Å; Y65-C114 HydrophobicContact CD1-CB 3.63Å; Y65-C114 HydrophobicContact CD2-CB 3.69Å; Y65-C114 WeakPolarHBondContact CD2-SG 3.41Å; Y65-C114 HydrophobicContact CE1-CB 3.64Å; Y65-C114 HydrophobicContact CE2-CB 3.69Å; Y65-C114 WeakPolarHBondContact CE2-SG 3.31Å; Y65-C114 HydrophobicContact CG-CB 3.63Å; S110-C114 VanDerWaalsContact O-CB 3.25Å; S110-C114 WeakPolarHBondContact O-CB 3.28Å; S110-C114 PolarHBondContact O-N 3.31Å; S110-C114 PolarHBondContact O-SG 3.05Å; W111-C114 PolarHBondContact O-N 3.03Å; C114-S118 VanDerWaalsContact O-CB 3.22Å; C114-S118 WeakPolarHBondContact O-CB 3.39Å; C114-S118 PolarHBondContact O-N 3.11Å; C114-S118 PolarHBondContact O-OG 3.13Å
115	I	44	Very low	43.4	Very low	87 Å²	87	85.3 Å²	85.3	45%	0.446	46%	0.461	S	S	.	.	H	α-helix	trans	-69.8	-43.4	172.5	-70.6	168.9	0	0	0	111	W111 I112 S118 A119	W111-I115 HydrophobicContact CD2-CD1 4.16Å; W111-I115 HydrophobicContact CE3-CD1 3.22Å; W111-I115 HydrophobicContact CE3-CG1 4.46Å; W111-I115 HydrophobicContact CH2-CD1 4.26Å; W111-I115 HydrophobicContact CZ3-CD1 3.29Å; W111-I115 WeakPolarHBondContact O-CB 3.42Å; W111-I115 VanDerWaalsContact O-CG1 3.25Å; W111-I115 WeakPolarHBondContact O-CG1 3.49Å; W111-I115 PolarHBondContact O-N 3.49Å; I112-I115 PolarHBondContact O-N 2.98Å; I115-S118 WeakPolarHBondContact CA-OG 3.07Å; I115-S118 PolarHBondContact O-OG 3.46Å; I115-A119 VanDerWaalsContact O-CB 3.27Å; I115-A119 WeakPolarHBondContact O-CB 3.26Å; I115-A119 PolarHBondContact O-N 3.38Å
116	L	45	Very low	44	Very low	96 Å²	96	87.2 Å²	87.2	50%	0.503	46%	0.456	S	S	.	.	H	α-helix	trans	-64.8	-41.5	176.5	-86.5	160	0	0	0	112.1	I112 F113 A119 L120	I112-L116 HydrophobicContact CG2-CD1 4.12Å; I112-L116 WeakPolarHBondContact O-CB 3.5Å; I112-L116 PolarHBondContact O-N 2.83Å; F113-L116 PolarHBondContact O-N 3.31Å; L116-A119 PolarHBondContact O-N 2.97Å; L116-L120 WeakPolarHBondContact O-CB 3.4Å; L116-L120 WeakPolarHBondContact O-CG 3.49Å; L116-L120 PolarHBondContact O-N 3.46Å
117	F	46.2	Very low	44	Very low	99 Å²	99	83.4 Å²	83.4	43%	0.434	44%	0.442	S	S	.	.	H	α-helix	trans	-76	-32.4	179.5	-115.6	-92.8	0	0	0	114	F58 F113 L120 G121	F58-F117 HydrophobicContact CD1-CE1 4.49Å; F58-F117 AromaticContact CE1-CD1 3.54Å; F58-F117 HydrophobicContact CE1-CD1 3.54Å; F58-F117 HydrophobicContact CE1-CD2 4.41Å; F58-F117 AromaticContact CE1-CE1 3.22Å; F58-F117 HydrophobicContact CE1-CE1 3.22Å; F58-F117 HydrophobicContact CE1-CE2 4.16Å; F58-F117 HydrophobicContact CE1-CG 4.12Å; F58-F117 AromaticContact CE1-CZ 3.58Å; F58-F117 HydrophobicContact CE1-CZ 3.58Å; F58-F117 HydrophobicContact CE2-CD2 4.06Å; F58-F117 HydrophobicContact CE2-CE1 4.05Å; F58-F117 AromaticContact CE2-CE2 3.47Å; F58-F117 HydrophobicContact CE2-CE2 3.47Å; F58-F117 VanDerWaalsContact CE2-CE2 3.47Å; F58-F117 AromaticContact CE2-CZ 3.47Å; F58-F117 HydrophobicContact CE2-CZ 3.47Å; F58-F117 VanDerWaalsContact CE2-CZ 3.47Å; F58-F117 AromaticContact CZ-CD1 3.34Å; F58-F117 HydrophobicContact CZ-CD1 3.34Å; F58-F117 AromaticContact CZ-CD2 3.41Å; F58-F117 HydrophobicContact CZ-CD2 3.41Å; F58-F117 VanDerWaalsContact CZ-CD2 3.41Å; F58-F117 AromaticContact CZ-CE1 3.02Å; F58-F117 HydrophobicContact CZ-CE1 3.02Å; F58-F117 AromaticContact CZ-CE2 3.08Å; F58-F117 HydrophobicContact CZ-CE2 3.08Å; F58-F117 AromaticContact CZ-CG 3.52Å; F58-F117 HydrophobicContact CZ-CG 3.52Å; F58-F117 AromaticContact CZ-CZ 2.88Å; F58-F117 HydrophobicContact CZ-CZ 2.88Å; F113-F117 WeakPolarHBondContact O-CB 3.37Å; F113-F117 PolarHBondContact O-N 3.28Å; F117-L120 HydrophobicContact CE2-CD1 4.49Å; F117-G121 PolarHBondContact O-N 2.97Å
118	S	41.7	Very low	44.4	Very low	42 Å²	42	80.2 Å²	80.2	29%	0.294	42%	0.42	S	S	.	.	H	α-helix	trans	-68.2	-39.2	169.6	54.6	0	0	0	0	111	C114 I115 G121 V122	C114-S118 VanDerWaalsContact O-CB 3.22Å; C114-S118 WeakPolarHBondContact O-CB 3.39Å; C114-S118 PolarHBondContact O-N 3.11Å; C114-S118 PolarHBondContact O-OG 3.13Å; I115-S118 WeakPolarHBondContact CA-OG 3.07Å; I115-S118 PolarHBondContact O-OG 3.46Å; S118-G121 PolarHBondContact O-N 2.91Å; S118-V122 WeakPolarHBondContact O-CB 3.12Å; S118-V122 WeakPolarHBondContact O-CG2 3.11Å; S118-V122 PolarHBondContact O-N 3.47Å
119	A	42.3	Very low	44.5	Very low	47 Å²	47	78.3 Å²	78.3	39%	0.388	41%	0.406	S	S	.	.	H	α-helix	trans	-62.6	-44.7	173.4	0	0	0	0	0	112.2	I115 L116 V122 L123	I115-A119 VanDerWaalsContact O-CB 3.27Å; I115-A119 WeakPolarHBondContact O-CB 3.26Å; I115-A119 PolarHBondContact O-N 3.38Å; L116-A119 PolarHBondContact O-N 2.97Å; A119-V122 PolarHBondContact O-N 3.1Å; A119-L123 WeakPolarHBondContact O-CB 3.19Å; A119-L123 WeakPolarHBondContact O-CD1 3.35Å; A119-L123 VanDerWaalsContact O-CG 3.25Å; A119-L123 WeakPolarHBondContact O-CG 3.14Å; A119-L123 PolarHBondContact O-N 3.28Å
120	L	45.5	Very low	44.6	Very low	94 Å²	94	80.4 Å²	80.4	49%	0.492	41%	0.409	S	S	.	.	H	α-helix	trans	-66.7	-39.8	175.6	-75.7	165.3	0	0	0	112.3	L116 F117 L123 F124	L116-L120 WeakPolarHBondContact O-CB 3.4Å; L116-L120 WeakPolarHBondContact O-CG 3.49Å; L116-L120 PolarHBondContact O-N 3.46Å; F117-L120 HydrophobicContact CE2-CD1 4.49Å; L120-L123 PolarHBondContact O-N 3.28Å; L120-F124 VanDerWaalsContact O-CB 3.26Å; L120-F124 WeakPolarHBondContact O-CB 3.37Å; L120-F124 PolarHBondContact O-N 2.81Å
121	G	42.8	Very low	44.8	Very low	36 Å²	36	82.4 Å²	82.4	37%	0.371	42%	0.42	S	S	.	.	H	α-helix	trans	-64.9	-38.4	174.9	0	0	0	0	0	112.6	F117 S118 F124 W125	F117-G121 PolarHBondContact O-N 2.97Å; S118-G121 PolarHBondContact O-N 2.91Å; G121-F124 PolarHBondContact O-N 2.86Å; G121-W125 VanDerWaalsContact O-CB 3.23Å; G121-W125 WeakPolarHBondContact O-CB 3.45Å; G121-W125 PolarHBondContact O-N 3.35Å
122	V	46.4	Very low	44.8	Very low	31 Å²	31	77.7 Å²	77.7	19%	0.188	41%	0.41	C	S	.	.	H	α-helix	trans	-67.3	-41.9	173.5	170.3	0	0	0	0	111.7	F69 S118 A119 K126	F69-V122 HydrophobicContact CE1-CG2 3.77Å; F69-V122 HydrophobicContact CE2-CG2 3.59Å; F69-V122 HydrophobicContact CZ-CB 4.5Å; F69-V122 HydrophobicContact CZ-CG2 3.01Å; S118-V122 WeakPolarHBondContact O-CB 3.12Å; S118-V122 WeakPolarHBondContact O-CG2 3.11Å; S118-V122 PolarHBondContact O-N 3.47Å; A119-V122 PolarHBondContact O-N 3.1Å; V122-K126 HydrophobicContact CG1-CD 4.11Å; V122-K126 HydrophobicContact CG1-CG 4.37Å; V122-K126 WeakPolarHBondContact O-CB 3.49Å; V122-K126 VanDerWaalsContact O-CG 3.28Å; V122-K126 WeakPolarHBondContact O-CG 3.33Å; V122-K126 PolarHBondContact O-N 3.3Å
123	L	46.3	Very low	44.7	Very low	113 Å²	113	77.6 Å²	77.6	59%	0.592	41%	0.413	S	S	*	.	H	α-helix	trans	-66.4	-42	176.5	-73.6	166.7	0	0	0	111.1	A119 L120 S127	A119-L123 WeakPolarHBondContact O-CB 3.19Å; A119-L123 WeakPolarHBondContact O-CD1 3.35Å; A119-L123 VanDerWaalsContact O-CG 3.25Å; A119-L123 WeakPolarHBondContact O-CG 3.14Å; A119-L123 PolarHBondContact O-N 3.28Å; L120-L123 PolarHBondContact O-N 3.28Å; L123-S127 VanDerWaalsContact O-CB 3.28Å; L123-S127 WeakPolarHBondContact O-CB 3.35Å; L123-S127 PolarHBondContact O-N 2.89Å
124	F	47.2	Very low	44.7	Very low	144 Å²	144	76.6 Å²	76.6	63%	0.632	41%	0.406	S	S	*	.	H	α-helix	trans	-64.8	-46.5	175.4	-173.4	-97.8	0	0	0	111.4	L120 G121 S127 V128	L120-F124 VanDerWaalsContact O-CB 3.26Å; L120-F124 WeakPolarHBondContact O-CB 3.37Å; L120-F124 PolarHBondContact O-N 2.81Å; G121-F124 PolarHBondContact O-N 2.86Å; F124-S127 CarbonylContact O-C 3.57Å; F124-S127 WeakPolarHBondContact O-CB 3.02Å; F124-S127 PolarHBondContact O-N 2.9Å; F124-V128 HydrophobicContact CD1-CG2 3.98Å; F124-V128 HydrophobicContact CE1-CG2 3.64Å; F124-V128 HydrophobicContact CZ-CG2 3.93Å; F124-V128 VanDerWaalsContact O-CG2 3.32Å; F124-V128 WeakPolarHBondContact O-CG2 3.42Å; F124-V128 PolarHBondContact O-N 2.73Å
125	W	48.5	Very low	44.6	Very low	91 Å²	91	79.6 Å²	79.6	35%	0.345	42%	0.421	S	S	.	.	H	α-helix	trans	-70.3	-36.1	178.9	-166.6	-107.9	0	0	0	112.4	F73 F87 G121 S127 V128 C129	F73-W125 AromaticContact CZ-CD1 3.95Å; F87-W125 AromaticContact CE2-CH2 3.63Å; F87-W125 HydrophobicContact CE2-CH2 3.63Å; F87-W125 AromaticContact CE2-CZ2 3.8Å; F87-W125 HydrophobicContact CE2-CZ2 3.8Å; F87-W125 AromaticContact CZ-CH2 3.47Å; F87-W125 HydrophobicContact CZ-CH2 3.47Å; F87-W125 VanDerWaalsContact CZ-CH2 3.47Å; F87-W125 AromaticContact CZ-CZ2 3.77Å; F87-W125 HydrophobicContact CZ-CZ2 3.77Å; F87-W125 AromaticContact CZ-CZ3 3.99Å; F87-W125 HydrophobicContact CZ-CZ3 3.99Å; G121-W125 VanDerWaalsContact O-CB 3.23Å; G121-W125 WeakPolarHBondContact O-CB 3.45Å; G121-W125 PolarHBondContact O-N 3.35Å; W125-S127 VanDerWaalsContact C-N 3.3Å; W125-S127 PolarHBondContact O-N 2.82Å; W125-V128 HydrophobicContact CZ3-CG1 4.44Å; W125-V128 PolarHBondContact O-N 3.41Å; W125-C129 PolarHBondContact NE1-SG 3.3Å; W125-C129 VanDerWaalsContact NE1-SG 3.37Å; W125-C129 VanDerWaalsContact O-CB 3.26Å; W125-C129 WeakPolarHBondContact O-CB 3.47Å; W125-C129 PolarHBondContact O-N 3.08Å; W125-C129 PolarHBondContact O-SG 2.81Å; W125-C129 VanDerWaalsContact O-SG 3.41Å
126	K	48.3	Very low	44.2	Very low	140 Å²	140	85 Å²	85	61%	0.609	44%	0.437	S	S	*	.	H	α-helix	trans	-61.3	-40.6	168.9	-82	-177.3	174.7	-178.5	0	111.2	V122 Y130	V122-K126 HydrophobicContact CG1-CD 4.11Å; V122-K126 HydrophobicContact CG1-CG 4.37Å; V122-K126 WeakPolarHBondContact O-CB 3.49Å; V122-K126 VanDerWaalsContact O-CG 3.28Å; V122-K126 WeakPolarHBondContact O-CG 3.33Å; V122-K126 PolarHBondContact O-N 3.3Å; K126-Y130 WeakPolarHBondContact O-CB 3.3Å; K126-Y130 PolarHBondContact O-N 3.16Å
127	S	43.8	Very low	43.9	Very low	65 Å²	65	88.7 Å²	88.7	46%	0.455	45%	0.452	S	S	.	.	H	α-helix	trans	-63.5	-48.8	174.4	179.5	0	0	0	0	111.3	L123 F124 W125 Y130 V131	L123-S127 VanDerWaalsContact O-CB 3.28Å; L123-S127 WeakPolarHBondContact O-CB 3.35Å; L123-S127 PolarHBondContact O-N 2.89Å; F124-S127 CarbonylContact O-C 3.57Å; F124-S127 WeakPolarHBondContact O-CB 3.02Å; F124-S127 PolarHBondContact O-N 2.9Å; W125-S127 VanDerWaalsContact C-N 3.3Å; W125-S127 PolarHBondContact O-N 2.82Å; S127-Y130 PolarHBondContact O-N 2.91Å; S127-V131 WeakPolarHBondContact O-CB 3.41Å; S127-V131 WeakPolarHBondContact O-CG2 3.33Å; S127-V131 PolarHBondContact O-N 3.33Å
128	V	47.4	Very low	43.5	Very low	45 Å²	45	86.4 Å²	86.4	27%	0.273	44%	0.442	S	S	.	.	H	α-helix	trans	-63.5	-44.3	178	172.5	0	0	0	0	111.3	F124 W125 V131 S132	F124-V128 HydrophobicContact CD1-CG2 3.98Å; F124-V128 HydrophobicContact CE1-CG2 3.64Å; F124-V128 HydrophobicContact CZ-CG2 3.93Å; F124-V128 VanDerWaalsContact O-CG2 3.32Å; F124-V128 WeakPolarHBondContact O-CG2 3.42Å; F124-V128 PolarHBondContact O-N 2.73Å; W125-V128 HydrophobicContact CZ3-CG1 4.44Å; W125-V128 PolarHBondContact O-N 3.41Å; V128-V131 PolarHBondContact O-N 2.73Å; V128-S132 WeakPolarHBondContact O-CA 3.35Å; V128-S132 WeakPolarHBondContact O-CB 3.4Å; V128-S132 PolarHBondContact O-N 3.48Å; V128-S132 PolarHBondContact O-OG 2.84Å
129	C	44.3	Very low	43.2	Very low	51 Å²	51	93.2 Å²	93.2	35%	0.345	47%	0.466	S	S	.	.	H	α-helix	trans	-66.2	-37.5	174.7	-75	0	0	0	0	112.2	W125 S132 T133	W125-C129 PolarHBondContact NE1-SG 3.3Å; W125-C129 VanDerWaalsContact NE1-SG 3.37Å; W125-C129 VanDerWaalsContact O-CB 3.26Å; W125-C129 WeakPolarHBondContact O-CB 3.47Å; W125-C129 PolarHBondContact O-N 3.08Å; W125-C129 PolarHBondContact O-SG 2.81Å; W125-C129 VanDerWaalsContact O-SG 3.41Å; C129-S132 PolarHBondContact O-N 3.06Å; C129-T133 WeakPolarHBondContact O-CB 3.48Å; C129-T133 WeakPolarHBondContact O-CG2 3.47Å; C129-T133 PolarHBondContact O-N 3.35Å; C129-T133 PolarHBondContact O-OG1 3.04Å
130	Y	45.6	Very low	42.9	Very low	142 Å²	142	97 Å²	97	56%	0.557	48%	0.48	S	S	*	.	H	α-helix	trans	-65.3	-43.8	175.1	-177.4	-94.8	0	0	0	111.4	K126 S127 T133 R134	K126-Y130 WeakPolarHBondContact O-CB 3.3Å; K126-Y130 PolarHBondContact O-N 3.16Å; S127-Y130 PolarHBondContact O-N 2.91Å; Y130-T133 WeakPolarHBondContact CA-OG1 3.41Å; Y130-T133 PolarHBondContact O-OG1 2.88Å; Y130-T133 VanDerWaalsContact O-OG1 3.08Å; Y130-R134 HydrophobicContact CD1-CG 4.43Å; Y130-R134 HydrophobicContact CE1-CG 4.13Å; Y130-R134 VanDerWaalsContact O-CB 3.27Å; Y130-R134 WeakPolarHBondContact O-CB 3.44Å; Y130-R134 VanDerWaalsContact O-CG 3.31Å; Y130-R134 WeakPolarHBondContact O-CG 3.46Å; Y130-R134 PolarHBondContact O-N 3.2Å; Y130-R134 PolarHBondContact OH-NH2 2.9Å
131	V	45	Very low	42.4	Very low	63 Å²	63	95 Å²	95	38%	0.382	47%	0.469	S	S	.	.	H	α-helix	trans	-66.7	-42.5	174.7	171.4	0	0	0	0	110.7	S127 V128 R134 L135	S127-V131 WeakPolarHBondContact O-CB 3.41Å; S127-V131 WeakPolarHBondContact O-CG2 3.33Å; S127-V131 PolarHBondContact O-N 3.33Å; V128-V131 PolarHBondContact O-N 2.73Å; V131-R134 WeakPolarHBondContact O-CB 3.38Å; V131-R134 PolarHBondContact O-N 2.61Å; V131-L135 HydrophobicContact CG1-CD1 3.71Å; V131-L135 HydrophobicContact CG1-CG 4.38Å; V131-L135 VanDerWaalsContact O-CB 3.31Å; V131-L135 WeakPolarHBondContact O-CB 3.16Å; V131-L135 WeakPolarHBondContact O-CD1 3.19Å; V131-L135 WeakPolarHBondContact O-CG 3.21Å; V131-L135 PolarHBondContact O-N 3.05Å
132	S	41.1	Very low	41.9	Very low	52 Å²	52	100.9 Å²	100.9	36%	0.364	49%	0.491	S	S	.	.	H	α-helix	trans	-67.8	-39.4	179	-58.1	0	0	0	0	112	V128 C129 L135 Y136	V128-S132 WeakPolarHBondContact O-CA 3.35Å; V128-S132 WeakPolarHBondContact O-CB 3.4Å; V128-S132 PolarHBondContact O-N 3.48Å; V128-S132 PolarHBondContact O-OG 2.84Å; C129-S132 PolarHBondContact O-N 3.06Å; S132-L135 PolarHBondContact O-N 2.91Å; S132-Y136 VanDerWaalsContact O-CB 3.31Å; S132-Y136 WeakPolarHBondContact O-CB 3.43Å; S132-Y136 PolarHBondContact O-N 3.45Å
133	T	43.7	Very low	41.1	Very low	77 Å²	77	104.1 Å²	104.1	47%	0.472	51%	0.506	S	S	.	.	H	α-helix	trans	-71.6	-35.8	174.7	45.7	0	0	0	0	111.8	C129 Y130 Y136 H137	C129-T133 WeakPolarHBondContact O-CB 3.48Å; C129-T133 WeakPolarHBondContact O-CG2 3.47Å; C129-T133 PolarHBondContact O-N 3.35Å; C129-T133 PolarHBondContact O-OG1 3.04Å; Y130-T133 WeakPolarHBondContact CA-OG1 3.41Å; Y130-T133 PolarHBondContact O-OG1 2.88Å; Y130-T133 VanDerWaalsContact O-OG1 3.08Å; T133-Y136 PolarHBondContact O-N 2.79Å; T133-H137 WeakPolarHBondContact O-CB 3.45Å; T133-H137 PolarHBondContact O-CD2 3.23Å; T133-H137 PolarHBondContact O-N 3.42Å
134	R	41.6	Very low	40.3	Very low	81 Å²	81	107.1 Å²	107.1	31%	0.306	52%	0.515	S	S	.	.	H	α-helix	trans	-61.3	-44.8	168.4	-84.5	-96.5	-173.6	173.5	-3.3	111.7	Y130 V131 Q138 H207	Y130-R134 HydrophobicContact CD1-CG 4.43Å; Y130-R134 HydrophobicContact CE1-CG 4.13Å; Y130-R134 VanDerWaalsContact O-CB 3.27Å; Y130-R134 WeakPolarHBondContact O-CB 3.44Å; Y130-R134 VanDerWaalsContact O-CG 3.31Å; Y130-R134 WeakPolarHBondContact O-CG 3.46Å; Y130-R134 PolarHBondContact O-N 3.2Å; Y130-R134 PolarHBondContact OH-NH2 2.9Å; V131-R134 WeakPolarHBondContact O-CB 3.38Å; V131-R134 PolarHBondContact O-N 2.61Å; R134-Q138 WeakPolarHBondContact O-CB 3.37Å; R134-Q138 PolarHBondContact O-N 3.42Å; R134-Q138 PolarHBondContact O-OE1 2.97Å; R134-H207 PolarHBondContact NH1-ND1 2.65Å
135	L	39.4	Very low	39.5	Very low	75 Å²	75	107.4 Å²	107.4	39%	0.393	52%	0.516	S	S	.	.	H	α-helix	trans	-66.9	-37.8	175.5	-74.7	164.6	0	0	0	112.3	V131 S132 Q138 I141	V131-L135 HydrophobicContact CG1-CD1 3.71Å; V131-L135 HydrophobicContact CG1-CG 4.38Å; V131-L135 VanDerWaalsContact O-CB 3.31Å; V131-L135 WeakPolarHBondContact O-CB 3.16Å; V131-L135 WeakPolarHBondContact O-CD1 3.19Å; V131-L135 WeakPolarHBondContact O-CG 3.21Å; V131-L135 PolarHBondContact O-N 3.05Å; S132-L135 PolarHBondContact O-N 2.91Å; L135-Q138 CarbonylContact O-C 3.59Å; L135-Q138 PolarHBondContact O-N 3.08Å; L135-I141 HydrophobicContact CD2-CB 4.47Å; L135-I141 HydrophobicContact CD2-CG2 4.15Å
136	Y	37	Very low	38.5	Very low	202 Å²	202	106.2 Å²	106.2	79%	0.792	53%	0.532	S	S	*	.	H	α-helix	trans	-72.6	-34	176.9	-114.5	-91	0	0	0	113.1	S132 T133 Q138	S132-Y136 VanDerWaalsContact O-CB 3.31Å; S132-Y136 WeakPolarHBondContact O-CB 3.43Å; S132-Y136 PolarHBondContact O-N 3.45Å; T133-Y136 PolarHBondContact O-N 2.79Å; Y136-Q138 VanDerWaalsContact C-N 3.33Å
137	H	37.9	Very low	37.5	Very low	173 Å²	173	107 Å²	107	80%	0.801	54%	0.543	S	S	*	.	H	α-helix	trans	-76.4	-21.2	172.9	-88.6	-71.3	0	0	0	112.7	T133 K139	T133-H137 WeakPolarHBondContact O-CB 3.45Å; T133-H137 PolarHBondContact O-CD2 3.23Å; T133-H137 PolarHBondContact O-N 3.42Å; H137-K139 PolarHBondContact O-N 3.06Å
138	Q	38.4	Very low	36.8	Very low	51 Å²	51	109 Å²	109	24%	0.238	56%	0.557	C	S	.	*			trans	-94.3	75.5	168.2	-75.5	175	-63.4	0	0	110.3	R134 L135 Y136 D140 I141	R134-Q138 WeakPolarHBondContact O-CB 3.37Å; R134-Q138 PolarHBondContact O-N 3.42Å; R134-Q138 PolarHBondContact O-OE1 2.97Å; L135-Q138 CarbonylContact O-C 3.59Å; L135-Q138 PolarHBondContact O-N 3.08Å; Y136-Q138 VanDerWaalsContact C-N 3.33Å; Q138-D140 PolarHBondContact O-N 2.8Å; Q138-I141 HydrophobicContact CB-CD1 3.57Å; Q138-I141 HydrophobicContact CB-CG1 3.94Å; Q138-I141 HydrophobicContact CG-CD1 3.95Å; Q138-I141 PolarHBondContact O-N 3.38Å; Q138-I141 VanDerWaalsContact OE1-CD1 3.24Å
139	K	34.6	Very low	36.1	Very low	184 Å²	184	113.5 Å²	113.5	80%	0.8	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.4	-0.9	169.4	-81.4	-175.9	173.9	179.3	0	114.7	H137	H137-K139 PolarHBondContact O-N 3.06Å
140	D	35.4	Very low	35.3	Very low	126 Å²	126	119.2 Å²	119.2	67%	0.674	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	1.2	-178.3	-58.6	-32.5	0	0	0	114.2	Q138	Q138-D140 PolarHBondContact O-N 2.8Å
141	I	36	Very low	34.4	Very low	53 Å²	53	115.1 Å²	115.1	27%	0.272	61%	0.606	S	S	.	*			trans	-109.6	41.4	-176.3	-53.1	171.7	0	0	0	112.6	L135 Q138	L135-I141 HydrophobicContact CD2-CB 4.47Å; L135-I141 HydrophobicContact CD2-CG2 4.15Å; Q138-I141 HydrophobicContact CB-CD1 3.57Å; Q138-I141 HydrophobicContact CB-CG1 3.94Å; Q138-I141 HydrophobicContact CG-CD1 3.95Å; Q138-I141 PolarHBondContact O-N 3.38Å; Q138-I141 VanDerWaalsContact OE1-CD1 3.24Å
142	I	31.5	Very low	33.7	Very low	160 Å²	160	119.9 Å²	119.9	82%	0.821	63%	0.628	S	S	*	*	S	Bend	trans	-96.2	2.7	167.2	-64.5	176.7	0	0	0	111.4
143	L	29.9	Very low	33	Very low	98 Å²	98	120.1 Å²	120.1	51%	0.513	64%	0.638	S	S	.	*	S	Bend	trans	-105.3	1	-166.1	-92.8	145.1	0	0	0	117.6	L165	L143-L165 HydrophobicContact CD1-CD2 3.85Å
144	F	30	Very low	32.2	Very low	176 Å²	176	123.6 Å²	123.6	77%	0.772	65%	0.654	S	S	*	*	S	Bend	trans	-106.8	-5.4	-174.3	-95.8	-86.7	0	0	0	116.9
145	F	30.4	Very low	31.5	Very low	150 Å²	150	129.5 Å²	129.5	66%	0.658	68%	0.677	S	S	*	*	S	Bend	trans	-102	16.2	-177	-82.1	-78	0	0	0	115.5	I215	F145-I215 HydrophobicContact CZ-CG2 4.33Å
146	G	27.1	Very low	31	Very low	66 Å²	66	138 Å²	138	68%	0.68	70%	0.704	S	S	*	*	S	Bend	trans	-89.4	-3.7	-175.5	0	0	0	0	0	117.4
147	N	28.2	Very low	30.8	Very low	156 Å²	156	134 Å²	134	83%	0.834	70%	0.696	S	S	*	*	S	Bend	trans	-114.4	16.1	-163.3	-87.7	-5.9	0	0	0	116.8
148	S	29.2	Very low	30.4	Very low	107 Å²	107	133.4 Å²	133.4	75%	0.748	69%	0.687	S	S	*	*	S	Bend	trans	-114.9	1.3	175.7	72.4	0	0	0	0	116.3	N150	S148-N150 PolarHBondContact O-N 2.92Å
149	I	31.8	Very low	29.9	Very low	140 Å²	140	135.8 Å²	135.8	72%	0.718	71%	0.709	S	S	*	*			trans	-98.2	65.9	176.6	-50.9	175.9	0	0	0	109.5	G151	I149-G151 PolarHBondContact O-N 3.4Å
150	N	27.6	Very low	29.7	Very low	172 Å²	172	135 Å²	135	92%	0.92	71%	0.706	S	S	*	*			trans	-83.5	85.8	164.4	-94.4	-19.2	0	0	0	108.5	S148	S148-N150 PolarHBondContact O-N 2.92Å
151	G	26.2	Very low	29.4	Very low	55 Å²	55	133.5 Å²	133.5	57%	0.567	70%	0.697	S	S	*	*			trans	164	69.9	170.3	0	0	0	0	0	113.6	I149	I149-G151 PolarHBondContact O-N 3.4Å
152	I	30.2	Very low	29.1	Very low	164 Å²	164	136.1 Å²	136.1	84%	0.841	71%	0.712	S	S	*	*			trans	-163.1	122.6	148	-86.9	130.1	0	0	0	106.4
153	G	26.1	Very low	29	Very low	56 Å²	56	133.2 Å²	133.2	58%	0.577	70%	0.701	S	S	*	*			trans	-65.1	164.6	-176.2	0	0	0	0	0	113.8
154	N	27.8	Very low	28.9	Very low	150 Å²	150	133 Å²	133	80%	0.802	70%	0.7	S	S	*	*			trans	69.7	87.1	167.9	-53.1	-26.3	0	0	0	115.4
155	Y	27.6	Very low	28.8	Very low	205 Å²	205	128.6 Å²	128.6	80%	0.804	68%	0.684	S	S	*	*			trans	-171.7	105.7	136.9	-91.2	-65	0	0	0	109.9	I157	Y155-I157 PolarHBondContact O-N 3.43Å; Y155-I157 VanDerWaalsContact O-N 3.1Å
156	R	27.2	Very low	28.8	Very low	253 Å²	253	127.9 Å²	127.9	96%	0.955	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	18.2	-171.4	-119.5	-179.3	-173.7	-172.9	1.7	115.3
157	I	32.8	Very low	29	Very low	120 Å²	120	127.5 Å²	127.5	62%	0.615	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.5	-14.1	-162.9	-64	174.2	0	0	0	114	Y155	Y155-I157 PolarHBondContact O-N 3.43Å; Y155-I157 VanDerWaalsContact O-N 3.1Å
158	Y	29.6	Very low	29.1	Very low	160 Å²	160	125 Å²	125	63%	0.627	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.6	-1.4	-169.1	-71.4	-80.2	0	0	0	116.8	I161	Y158-I161 HydrophobicContact CD1-CD1 4.35Å
159	S	29.3	Very low	29.3	Very low	100 Å²	100	127 Å²	127	70%	0.699	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-16.4	179.6	73.8	0	0	0	0	114.7
160	K	29.6	Very low	29.4	Very low	169 Å²	169	123.7 Å²	123.7	74%	0.735	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-20.4	-179.6	-85.8	-175.7	173.8	-177.4	0	114.2	I164	K160-I164 WeakPolarHBondContact O-CD1 3.42Å; K160-I164 VanDerWaalsContact O-CG1 3.31Å; K160-I164 WeakPolarHBondContact O-CG1 3.36Å
161	I	30.1	Very low	29.6	Very low	93 Å²	93	119.8 Å²	119.8	48%	0.477	61%	0.614	S	S	.	*	H	α-helix	trans	-82.6	-28.3	-172	-62.3	171	0	0	0	111.6	Y158 V163	Y158-I161 HydrophobicContact CD1-CD1 4.35Å; I161-V163 PolarHBondContact O-N 3.23Å
162	N	28.7	Very low	30	Very low	108 Å²	108	119.4 Å²	119.4	58%	0.578	60%	0.603	S	S	*	*	H	α-helix	trans	-79.1	-17	-176.5	-71.4	-12	0	0	0	114.7
163	V	28.7	Very low	30.4	Very low	99 Å²	99	117 Å²	117	60%	0.6	59%	0.59	S	S	*	*	H	α-helix	trans	-86.4	-29.7	175.1	179.7	0	0	0	0	111.2	I161 T167	I161-V163 PolarHBondContact O-N 3.23Å; V163-T167 WeakPolarHBondContact O-CG2 3.34Å; V163-T167 PolarHBondContact O-N 2.85Å; V163-T167 PolarHBondContact O-OG1 3.43Å; V163-T167 VanDerWaalsContact O-OG1 3.06Å
164	I	29.3	Very low	31	Very low	94 Å²	94	118.2 Å²	118.2	48%	0.482	58%	0.583	S	S	.	*	H	α-helix	trans	-74.2	-32	-173.3	-64.7	169.5	0	0	0	112.1	K160 T167 L168	K160-I164 WeakPolarHBondContact O-CD1 3.42Å; K160-I164 VanDerWaalsContact O-CG1 3.31Å; K160-I164 WeakPolarHBondContact O-CG1 3.36Å; I164-T167 WeakPolarHBondContact CA-OG1 3.11Å; I164-T167 PolarHBondContact O-OG1 3.47Å; I164-L168 HydrophobicContact CG2-CD1 3.91Å; I164-L168 WeakPolarHBondContact O-CD1 3.36Å; I164-L168 WeakPolarHBondContact O-CG 3.34Å; I164-L168 PolarHBondContact O-N 3.48Å
165	L	27.2	Very low	31.3	Very low	84 Å²	84	116 Å²	116	44%	0.44	57%	0.571	S	S	.	*	H	α-helix	trans	-78.5	-30.4	-176.2	-140.5	89	0	0	0	113.4	L143	L143-L165 HydrophobicContact CD1-CD2 3.85Å
166	L	30.4	Very low	31.9	Very low	134 Å²	134	110.8 Å²	110.8	70%	0.702	56%	0.555	S	S	*	*	H	α-helix	trans	-76.9	-33.7	177.4	-151.6	84.5	0	0	0	111.4	T170	L166-T170 PolarHBondContact O-N 3.2Å; L166-T170 PolarHBondContact O-OG1 3.03Å
167	T	31	Very low	32.4	Very low	59 Å²	59	103.2 Å²	103.2	36%	0.362	53%	0.531	S	S	.	.	H	α-helix	trans	-70.2	-36.9	175.3	47.8	0	0	0	0	112.3	V163 I164 Y169 T170 D171	V163-T167 WeakPolarHBondContact O-CG2 3.34Å; V163-T167 PolarHBondContact O-N 2.85Å; V163-T167 PolarHBondContact O-OG1 3.43Å; V163-T167 VanDerWaalsContact O-OG1 3.06Å; I164-T167 WeakPolarHBondContact CA-OG1 3.11Å; I164-T167 PolarHBondContact O-OG1 3.47Å; T167-Y169 VanDerWaalsContact C-N 3.34Å; T167-Y169 PolarHBondContact O-N 3.43Å; T167-T170 WeakPolarHBondContact CA-OG1 3.15Å; T167-T170 PolarHBondContact O-N 2.73Å; T167-T170 PolarHBondContact O-OG1 3.48Å; T167-D171 WeakPolarHBondContact O-CB 3.44Å; T167-D171 PolarHBondContact O-N 2.95Å
168	L	31.2	Very low	32.9	Very low	102 Å²	102	104.7 Å²	104.7	53%	0.534	53%	0.533	S	S	.	.	H	α-helix	trans	-63.3	-32.1	179.4	-89.4	158.2	0	0	0	114.1	I164 S172	I164-L168 HydrophobicContact CG2-CD1 3.91Å; I164-L168 WeakPolarHBondContact O-CD1 3.36Å; I164-L168 WeakPolarHBondContact O-CG 3.34Å; I164-L168 PolarHBondContact O-N 3.48Å; L168-S172 WeakPolarHBondContact O-CB 3.33Å; L168-S172 PolarHBondContact O-N 2.86Å; L168-S172 VanDerWaalsContact O-N 3.12Å; L168-S172 PolarHBondContact O-OG 3Å
169	Y	32.4	Very low	33.5	Very low	151 Å²	151	102.6 Å²	102.6	59%	0.592	53%	0.532	S	S	*	.	H	α-helix	trans	-84.8	-33.6	178.9	-87.1	-86.1	0	0	0	113.3	T167 S172 I173	T167-Y169 VanDerWaalsContact C-N 3.34Å; T167-Y169 PolarHBondContact O-N 3.43Å; Y169-S172 WeakPolarHBondContact CA-OG 3.18Å; Y169-S172 PolarHBondContact O-OG 3.02Å; Y169-S172 VanDerWaalsContact O-OG 3.09Å; Y169-I173 WeakPolarHBondContact O-CD1 3.41Å; Y169-I173 VanDerWaalsContact O-CG1 3.3Å; Y169-I173 WeakPolarHBondContact O-CG1 3.32Å; Y169-I173 PolarHBondContact O-N 2.99Å
170	T	35.4	Very low	33.9	Very low	70 Å²	70	100.3 Å²	100.3	43%	0.429	51%	0.511	S	S	.	.	H	α-helix	trans	-70.3	-37.6	170.2	48.7	0	0	0	0	111.3	L166 T167 I173 I174	L166-T170 PolarHBondContact O-N 3.2Å; L166-T170 PolarHBondContact O-OG1 3.03Å; T167-T170 WeakPolarHBondContact CA-OG1 3.15Å; T167-T170 PolarHBondContact O-N 2.73Å; T167-T170 PolarHBondContact O-OG1 3.48Å; T170-I173 PolarHBondContact O-N 3.23Å; T170-I174 WeakPolarHBondContact O-CB 3.35Å; T170-I174 WeakPolarHBondContact O-CD1 3.43Å; T170-I174 WeakPolarHBondContact O-CG1 3.31Å; T170-I174 PolarHBondContact O-N 3.3Å
171	D	30.3	Very low	34.4	Very low	90 Å²	90	96.6 Å²	96.6	48%	0.481	50%	0.499	S	S	.	.	H	α-helix	trans	-70.1	-36.9	178.6	-71	-20.2	0	0	0	111.7	T167 I174 L175	T167-D171 WeakPolarHBondContact O-CB 3.44Å; T167-D171 PolarHBondContact O-N 2.95Å; D171-I174 PolarHBondContact O-N 2.82Å; D171-L175 WeakPolarHBondContact O-CA 3.36Å; D171-L175 WeakPolarHBondContact O-CB 3.36Å; D171-L175 PolarHBondContact O-N 3.21Å
172	S	34.7	Very low	34.7	Very low	46 Å²	46	95.5 Å²	95.5	32%	0.322	51%	0.511	S	S	.	.	H	α-helix	trans	-69	-35.7	174.6	46.8	0	0	0	0	112.8	L168 Y169 L175 I176	L168-S172 WeakPolarHBondContact O-CB 3.33Å; L168-S172 PolarHBondContact O-N 2.86Å; L168-S172 VanDerWaalsContact O-N 3.12Å; L168-S172 PolarHBondContact O-OG 3Å; Y169-S172 WeakPolarHBondContact CA-OG 3.18Å; Y169-S172 PolarHBondContact O-OG 3.02Å; Y169-S172 VanDerWaalsContact O-OG 3.09Å; S172-L175 PolarHBondContact O-N 3.36Å; S172-I176 WeakPolarHBondContact O-CB 3.47Å; S172-I176 WeakPolarHBondContact O-CD1 3.49Å; S172-I176 WeakPolarHBondContact O-CG1 3.46Å; S172-I176 PolarHBondContact O-N 2.65Å
173	I	39.1	Very low	35	Very low	114 Å²	114	92 Å²	92	59%	0.585	50%	0.495	S	S	*	.	H	α-helix	trans	-69.2	-39.5	172.9	-66.9	169.1	0	0	0	111	Y169 T170 H177	Y169-I173 WeakPolarHBondContact O-CD1 3.41Å; Y169-I173 VanDerWaalsContact O-CG1 3.3Å; Y169-I173 WeakPolarHBondContact O-CG1 3.32Å; Y169-I173 PolarHBondContact O-N 2.99Å; T170-I173 PolarHBondContact O-N 3.23Å; I173-H177 WeakPolarHBondContact O-CB 3.31Å; I173-H177 PolarHBondContact O-N 3.18Å
174	I	39.6	Very low	35.5	Very low	82 Å²	82	96 Å²	96	42%	0.421	51%	0.513	S	S	.	.	H	α-helix	trans	-69.2	-34.6	174.9	-68.7	164.6	0	0	0	111.1	T170 D171 H177 K178	T170-I174 WeakPolarHBondContact O-CB 3.35Å; T170-I174 WeakPolarHBondContact O-CD1 3.43Å; T170-I174 WeakPolarHBondContact O-CG1 3.31Å; T170-I174 PolarHBondContact O-N 3.3Å; D171-I174 PolarHBondContact O-N 2.82Å; I174-H177 CarbonylContact O-C 3.58Å; I174-H177 WeakPolarHBondContact O-CB 3.29Å; I174-H177 PolarHBondContact O-N 3.37Å; I174-K178 HydrophobicContact CG2-CD 4.41Å; I174-K178 WeakPolarHBondContact O-CB 3.49Å; I174-K178 WeakPolarHBondContact O-CG 3.27Å; I174-K178 PolarHBondContact O-N 3.4Å
175	L	33.9	Very low	36	Very low	104 Å²	104	96.8 Å²	96.8	55%	0.545	51%	0.513	S	S	.	.	H	α-helix	trans	-73.3	-40.3	178.2	-170.3	132.9	0	0	0	111.2	D171 S172 H177 K178 L179	D171-L175 WeakPolarHBondContact O-CA 3.36Å; D171-L175 WeakPolarHBondContact O-CB 3.36Å; D171-L175 PolarHBondContact O-N 3.21Å; S172-L175 PolarHBondContact O-N 3.36Å; L175-H177 VanDerWaalsContact C-N 3.34Å; L175-K178 PolarHBondContact O-N 2.9Å; L175-L179 HydrophobicContact CD2-CD1 3.59Å; L175-L179 HydrophobicContact CG-CD1 4.25Å; L175-L179 WeakPolarHBondContact O-CB 3.38Å; L175-L179 PolarHBondContact O-N 3.12Å
176	I	39.6	Very low	36.8	Very low	94 Å²	94	96 Å²	96	48%	0.482	52%	0.515	S	S	.	.	H	α-helix	trans	-63	-41.3	168.6	-69.8	165.2	0	0	0	110.2	S172 K178 L179 I180	S172-I176 WeakPolarHBondContact O-CB 3.47Å; S172-I176 WeakPolarHBondContact O-CD1 3.49Å; S172-I176 WeakPolarHBondContact O-CG1 3.46Å; S172-I176 PolarHBondContact O-N 2.65Å; I176-K178 PolarHBondContact O-N 3.21Å; I176-L179 PolarHBondContact O-N 3.44Å; I176-I180 HydrophobicContact CG2-CD1 3.42Å; I176-I180 VanDerWaalsContact CG2-CD1 3.42Å; I176-I180 HydrophobicContact CG2-CG1 4.27Å; I176-I180 VanDerWaalsContact O-CB 3.29Å; I176-I180 WeakPolarHBondContact O-CB 3.34Å; I176-I180 WeakPolarHBondContact O-CD1 3.42Å; I176-I180 WeakPolarHBondContact O-CG1 3.15Å; I176-I180 PolarHBondContact O-N 2.89Å
177	H	37.1	Very low	37.7	Very low	94 Å²	94	94.7 Å²	94.7	44%	0.435	51%	0.509	S	S	.	.	H	α-helix	trans	-64.6	-35.8	175	-171.6	-103.8	0	0	0	112.8	I173 I174 L175 N181	I173-H177 WeakPolarHBondContact O-CB 3.31Å; I173-H177 PolarHBondContact O-N 3.18Å; I174-H177 CarbonylContact O-C 3.58Å; I174-H177 WeakPolarHBondContact O-CB 3.29Å; I174-H177 PolarHBondContact O-N 3.37Å; L175-H177 VanDerWaalsContact C-N 3.34Å; H177-N181 PolarHBondContact CE1-ND2 3.08Å; H177-N181 PolarHBondContact ND1-ND2 3.42Å; H177-N181 WeakPolarHBondContact O-CB 3.07Å; H177-N181 VanDerWaalsContact O-CG 3.23Å; H177-N181 PolarHBondContact O-N 3Å; H177-N181 PolarHBondContact O-ND2 2.72Å
178	K	44.5	Very low	38.1	Very low	151 Å²	151	96.4 Å²	96.4	66%	0.657	52%	0.519	S	S	*	.	H	α-helix	trans	-73	-39.5	173.3	-79.1	179.8	177.4	-178.6	0	112.3	I174 L175 I176 I180 G182	I174-K178 HydrophobicContact CG2-CD 4.41Å; I174-K178 WeakPolarHBondContact O-CB 3.49Å; I174-K178 WeakPolarHBondContact O-CG 3.27Å; I174-K178 PolarHBondContact O-N 3.4Å; L175-K178 PolarHBondContact O-N 2.9Å; I176-K178 PolarHBondContact O-N 3.21Å; K178-I180 VanDerWaalsContact C-N 3.34Å; K178-G182 PolarHBondContact O-N 3.33Å
179	L	40.6	Very low	38.6	Very low	117 Å²	117	95.1 Å²	95.1	61%	0.613	51%	0.513	S	S	*	.	H	α-helix	trans	-64.8	-37.3	174.4	-100.4	139.6	0	0	0	112	L175 I176 S183	L175-L179 HydrophobicContact CD2-CD1 3.59Å; L175-L179 HydrophobicContact CG-CD1 4.25Å; L175-L179 WeakPolarHBondContact O-CB 3.38Å; L175-L179 PolarHBondContact O-N 3.12Å; I176-L179 PolarHBondContact O-N 3.44Å; L179-S183 PolarHBondContact O-OG 3.27Å
180	I	38.6	Very low	39.2	Very low	51 Å²	51	93.8 Å²	93.8	26%	0.262	51%	0.51	S	S	.	.	H	α-helix	trans	-80.8	-33.3	178.7	-65.5	168.8	0	0	0	111.8	I176 K178 S183 I193	I176-I180 HydrophobicContact CG2-CD1 3.42Å; I176-I180 VanDerWaalsContact CG2-CD1 3.42Å; I176-I180 HydrophobicContact CG2-CG1 4.27Å; I176-I180 VanDerWaalsContact O-CB 3.29Å; I176-I180 WeakPolarHBondContact O-CB 3.34Å; I176-I180 WeakPolarHBondContact O-CD1 3.42Å; I176-I180 WeakPolarHBondContact O-CG1 3.15Å; I176-I180 PolarHBondContact O-N 2.89Å; K178-I180 VanDerWaalsContact C-N 3.34Å; I180-S183 WeakPolarHBondContact CA-OG 3.44Å; I180-S183 PolarHBondContact O-OG 2.83Å; I180-I193 HydrophobicContact CD1-CD1 4.31Å; I180-I193 HydrophobicContact CG2-CD1 4.18Å
181	N	39.4	Very low	39.8	Very low	91 Å²	91	93.2 Å²	93.2	49%	0.487	51%	0.508	S	S	.	.	H	α-helix	trans	-75.6	-23	173.7	-79.1	-18.5	0	0	0	113.4	H177 S183	H177-N181 PolarHBondContact CE1-ND2 3.08Å; H177-N181 PolarHBondContact ND1-ND2 3.42Å; H177-N181 WeakPolarHBondContact O-CB 3.07Å; H177-N181 VanDerWaalsContact O-CG 3.23Å; H177-N181 PolarHBondContact O-N 3Å; H177-N181 PolarHBondContact O-ND2 2.72Å; N181-S183 VanDerWaalsContact C-N 3.33Å
182	G	36.7	Very low	40.4	Very low	71 Å²	71	93.2 Å²	93.2	73%	0.732	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-4.2	175	0	0	0	0	0	114.3	K178	K178-G182 PolarHBondContact O-N 3.33Å
183	S	35.8	Very low	40.8	Very low	35 Å²	35	93.9 Å²	93.9	25%	0.245	51%	0.511	C	S	.	.	S	Bend	trans	-114.7	129.9	-178	39.5	0	0	0	0	109.9	L179 I180 N181 F185	L179-S183 PolarHBondContact O-OG 3.27Å; I180-S183 WeakPolarHBondContact CA-OG 3.44Å; I180-S183 PolarHBondContact O-OG 2.83Å; N181-S183 VanDerWaalsContact C-N 3.33Å; S183-F185 PolarHBondContact O-N 2.75Å; S183-F185 WeakPolarHBondContact OG-CD2 3.33Å; S183-F185 WeakPolarHBondContact OG-CE2 3.5Å
184	N	39.6	Very low	41.3	Very low	181 Å²	181	93 Å²	93	97%	0.968	51%	0.505	S	S	*	.			trans	-69	59.3	175.6	-76.3	-22.6	0	0	0	110.9
185	F	39.4	Very low	41.4	Very low	111 Å²	111	92.9 Å²	92.9	49%	0.487	51%	0.508	S	S	.	.			trans	-77.7	130.9	171.2	-73	-62.6	0	0	0	108.9	S183 L189	S183-F185 PolarHBondContact O-N 2.75Å; S183-F185 WeakPolarHBondContact OG-CD2 3.33Å; S183-F185 WeakPolarHBondContact OG-CE2 3.5Å; F185-L189 HydrophobicContact CB-CB 4.14Å; F185-L189 HydrophobicContact CB-CD2 3.88Å; F185-L189 HydrophobicContact CD1-CD2 4.01Å; F185-L189 HydrophobicContact CD2-CD2 4.35Å; F185-L189 HydrophobicContact CG-CD2 3.83Å
186	S	44.2	Very low	41.5	Very low	68 Å²	68	90.2 Å²	90.2	48%	0.476	50%	0.498	S	S	.	.			trans	-49.5	146.7	-176.8	61.1	0	0	0	0	111.8	T188 L189 K190	S186-T188 WeakPolarHBondContact CB-OG1 3.25Å; S186-T188 CarbonylContact O-C 3.58Å; S186-T188 PolarHBondContact O-N 3.3Å; S186-T188 PolarHBondContact OG-OG1 3.44Å; S186-L189 WeakPolarHBondContact O-CB 3.19Å; S186-L189 PolarHBondContact O-N 2.91Å; S186-K190 PolarHBondContact O-N 3.47Å
187	D	47.7	Very low	41.5	Very low	106 Å²	106	90.4 Å²	90.4	57%	0.567	50%	0.495	S	S	*	.	H	α-helix	trans	-45.6	-31.3	175.7	-70	-14.3	0	0	0	113	K190 S191 K463	D187-K190 PolarHBondContact O-N 2.82Å; D187-S191 WeakPolarHBondContact O-CB 3.46Å; D187-S191 PolarHBondContact O-N 3.31Å; D187-S191 PolarHBondContact O-OG 3.23Å; D187-K463 IonicContact OD2-NZ 3.88Å; D187-K463 PolarHBondContact OD2-NZ 2.83Å
188	T	40.3	Very low	41.7	Very low	95 Å²	95	93 Å²	93	58%	0.583	50%	0.501	S	S	*	.	H	α-helix	trans	-62.3	-46.8	173.8	41.3	0	0	0	0	112.9	S186 K190 S191 V192	S186-T188 WeakPolarHBondContact CB-OG1 3.25Å; S186-T188 CarbonylContact O-C 3.58Å; S186-T188 PolarHBondContact O-N 3.3Å; S186-T188 PolarHBondContact OG-OG1 3.44Å; T188-K190 VanDerWaalsContact C-N 3.33Å; T188-K190 PolarHBondContact O-N 2.89Å; T188-S191 PolarHBondContact O-N 2.78Å; T188-S191 PolarHBondContact O-OG 3.14Å; T188-V192 WeakPolarHBondContact O-CB 3.44Å; T188-V192 VanDerWaalsContact O-CG2 3.23Å; T188-V192 WeakPolarHBondContact O-CG2 3.28Å; T188-V192 PolarHBondContact O-N 3.01Å
189	L	40.8	Very low	41.4	Very low	76 Å²	76	91 Å²	91	40%	0.398	50%	0.497	S	S	.	.	H	α-helix	trans	-66.3	-38.4	177.9	-147	113	0	0	0	110.8	F185 S186 V192 I193	F185-L189 HydrophobicContact CB-CB 4.14Å; F185-L189 HydrophobicContact CB-CD2 3.88Å; F185-L189 HydrophobicContact CD1-CD2 4.01Å; F185-L189 HydrophobicContact CD2-CD2 4.35Å; F185-L189 HydrophobicContact CG-CD2 3.83Å; S186-L189 WeakPolarHBondContact O-CB 3.19Å; S186-L189 PolarHBondContact O-N 2.91Å; L189-V192 PolarHBondContact O-N 3.23Å; L189-I193 HydrophobicContact CD2-CD1 3.61Å; L189-I193 HydrophobicContact CG-CD1 4.25Å; L189-I193 WeakPolarHBondContact O-CB 3.27Å; L189-I193 WeakPolarHBondContact O-CD1 3.42Å; L189-I193 WeakPolarHBondContact O-CG1 3.04Å; L189-I193 PolarHBondContact O-N 3.39Å
190	K	45.4	Very low	41.3	Very low	122 Å²	122	90 Å²	90	53%	0.53	49%	0.491	S	S	.	.	H	α-helix	trans	-63.4	-43.8	176.5	-152.8	173.4	-174	176.7	0	111.8	S186 D187 T188 I193 E194	S186-K190 PolarHBondContact O-N 3.47Å; D187-K190 PolarHBondContact O-N 2.82Å; T188-K190 VanDerWaalsContact C-N 3.33Å; T188-K190 PolarHBondContact O-N 2.89Å; K190-I193 PolarHBondContact O-N 2.76Å; K190-E194 WeakPolarHBondContact O-CB 3.46Å; K190-E194 PolarHBondContact O-N 3.47Å
191	S	49.1	Very low	41.3	Very low	58 Å²	58	92.7 Å²	92.7	41%	0.406	50%	0.503	S	S	.	.	H	α-helix	trans	-67.7	-37.3	176.2	76.3	0	0	0	0	113.3	D187 T188 E194 T195	D187-S191 WeakPolarHBondContact O-CB 3.46Å; D187-S191 PolarHBondContact O-N 3.31Å; D187-S191 PolarHBondContact O-OG 3.23Å; T188-S191 PolarHBondContact O-N 2.78Å; T188-S191 PolarHBondContact O-OG 3.14Å; S191-E194 PolarHBondContact O-N 3.35Å; S191-T195 WeakPolarHBondContact O-CB 3.43Å; S191-T195 WeakPolarHBondContact O-CG2 3.31Å; S191-T195 PolarHBondContact O-N 3.23Å; S191-T195 PolarHBondContact O-OG1 2.99Å
192	V	43.2	Very low	41.3	Very low	90 Å²	90	98 Å²	98	55%	0.545	52%	0.516	S	S	.	.	H	α-helix	trans	-68.6	-37.2	176	171.8	0	0	0	0	110.6	T188 L189 T195 S196	T188-V192 WeakPolarHBondContact O-CB 3.44Å; T188-V192 VanDerWaalsContact O-CG2 3.23Å; T188-V192 WeakPolarHBondContact O-CG2 3.28Å; T188-V192 PolarHBondContact O-N 3.01Å; L189-V192 PolarHBondContact O-N 3.23Å; V192-T195 WeakPolarHBondContact CA-OG1 3.48Å; V192-T195 PolarHBondContact O-OG1 3.12Å; V192-T195 VanDerWaalsContact O-OG1 3.1Å; V192-S196 VanDerWaalsContact O-CB 3.27Å; V192-S196 WeakPolarHBondContact O-CB 3.23Å; V192-S196 PolarHBondContact O-N 2.7Å; V192-S196 PolarHBondContact O-OG 3.17Å
193	I	42.4	Very low	41.4	Very low	60 Å²	60	102.6 Å²	102.6	31%	0.308	51%	0.511	S	S	.	.	H	α-helix	trans	-69.9	-38.9	173.7	-68.8	165.3	0	0	0	110.9	I180 L189 K190 S196 K197	I180-I193 HydrophobicContact CD1-CD1 4.31Å; I180-I193 HydrophobicContact CG2-CD1 4.18Å; L189-I193 HydrophobicContact CD2-CD1 3.61Å; L189-I193 HydrophobicContact CG-CD1 4.25Å; L189-I193 WeakPolarHBondContact O-CB 3.27Å; L189-I193 WeakPolarHBondContact O-CD1 3.42Å; L189-I193 WeakPolarHBondContact O-CG1 3.04Å; L189-I193 PolarHBondContact O-N 3.39Å; K190-I193 PolarHBondContact O-N 2.76Å; I193-S196 VanDerWaalsContact CA-OG 3.28Å; I193-S196 WeakPolarHBondContact CA-OG 3.24Å; I193-S196 PolarHBondContact O-OG 3.2Å; I193-K197 WeakPolarHBondContact O-CB 3.23Å; I193-K197 PolarHBondContact O-N 3.02Å
194	E	49	Very low	41.5	Very low	97 Å²	97	106.9 Å²	106.9	45%	0.453	53%	0.527	S	S	.	.	H	α-helix	trans	-72.6	-39.3	-179.8	-152.8	-173.2	156.3	0	0	112.4	K190 S191 K197 R198	K190-E194 WeakPolarHBondContact O-CB 3.46Å; K190-E194 PolarHBondContact O-N 3.47Å; S191-E194 PolarHBondContact O-N 3.35Å; E194-K197 PolarHBondContact O-N 3.09Å; E194-R198 WeakPolarHBondContact O-CG 3.5Å; E194-R198 PolarHBondContact O-N 2.8Å; E194-R198 IonicContact OE1-CZ 3.76Å; E194-R198 IonicContact OE1-NE 2.76Å; E194-R198 IonicContact OE1-NH2 3.7Å; E194-R198 PolarHBondContact OE1-NH2 3.37Å
195	T	42.7	Very low	41.5	Very low	79 Å²	79	104 Å²	104	49%	0.485	51%	0.511	S	S	.	.	H	α-helix	trans	-67	-42.7	173.5	47.6	0	0	0	0	111.5	S191 V192 R198 L199	S191-T195 WeakPolarHBondContact O-CB 3.43Å; S191-T195 WeakPolarHBondContact O-CG2 3.31Å; S191-T195 PolarHBondContact O-N 3.23Å; S191-T195 PolarHBondContact O-OG1 2.99Å; V192-T195 WeakPolarHBondContact CA-OG1 3.48Å; V192-T195 PolarHBondContact O-OG1 3.12Å; V192-T195 VanDerWaalsContact O-OG1 3.1Å; T195-R198 PolarHBondContact O-N 3.12Å; T195-L199 WeakPolarHBondContact O-CB 3.32Å; T195-L199 PolarHBondContact O-N 2.88Å
196	S	35.5	Very low	41.4	Very low	48 Å²	48	102.1 Å²	102.1	34%	0.336	51%	0.511	S	S	.	.	H	α-helix	trans	-64.7	-37.8	172.8	56.3	0	0	0	0	112	V192 I193 L199 I200	V192-S196 VanDerWaalsContact O-CB 3.27Å; V192-S196 WeakPolarHBondContact O-CB 3.23Å; V192-S196 PolarHBondContact O-N 2.7Å; V192-S196 PolarHBondContact O-OG 3.17Å; I193-S196 VanDerWaalsContact CA-OG 3.28Å; I193-S196 WeakPolarHBondContact CA-OG 3.24Å; I193-S196 PolarHBondContact O-OG 3.2Å; S196-L199 PolarHBondContact O-N 2.87Å; S196-I200 WeakPolarHBondContact O-CB 3.44Å; S196-I200 WeakPolarHBondContact O-CD1 3.44Å; S196-I200 WeakPolarHBondContact O-CG1 3.44Å; S196-I200 PolarHBondContact O-N 3.44Å
197	K	39.8	Very low	41.4	Very low	97 Å²	97	102 Å²	102	42%	0.422	50%	0.504	S	S	.	.	H	α-helix	trans	-61.7	-43.4	173.2	-170.3	179.9	-178.1	-176.5	0	112.3	I193 E194 Q201	I193-K197 WeakPolarHBondContact O-CB 3.23Å; I193-K197 PolarHBondContact O-N 3.02Å; E194-K197 PolarHBondContact O-N 3.09Å; K197-Q201 VanDerWaalsContact O-CB 3.28Å; K197-Q201 WeakPolarHBondContact O-CB 3.49Å; K197-Q201 WeakPolarHBondContact O-CG 3.46Å; K197-Q201 PolarHBondContact O-N 2.9Å
198	R	41.5	Very low	41.2	Very low	150 Å²	150	98.1 Å²	98.1	57%	0.566	49%	0.488	S	S	*	.	H	α-helix	trans	-68.1	-38.3	175.9	-72.2	-178.1	-165.7	-176	6.9	112.3	E194 T195 R202	E194-R198 WeakPolarHBondContact O-CG 3.5Å; E194-R198 PolarHBondContact O-N 2.8Å; E194-R198 IonicContact OE1-CZ 3.76Å; E194-R198 IonicContact OE1-NE 2.76Å; E194-R198 IonicContact OE1-NH2 3.7Å; E194-R198 PolarHBondContact OE1-NH2 3.37Å; T195-R198 PolarHBondContact O-N 3.12Å; R198-R202 VanDerWaalsContact O-CB 3.31Å; R198-R202 WeakPolarHBondContact O-CB 3.43Å; R198-R202 WeakPolarHBondContact O-CG 3.27Å; R198-R202 PolarHBondContact O-N 3.45Å
199	L	37.4	Very low	41.4	Very low	109 Å²	109	99.7 Å²	99.7	57%	0.571	49%	0.49	S	S	*	.	H	α-helix	trans	-67.9	-44.3	175.7	-109.4	140.6	0	0	0	111.7	T195 S196 R203	T195-L199 WeakPolarHBondContact O-CB 3.32Å; T195-L199 PolarHBondContact O-N 2.88Å; S196-L199 PolarHBondContact O-N 2.87Å; L199-R203 WeakPolarHBondContact O-CB 3.46Å; L199-R203 PolarHBondContact O-N 2.92Å
200	I	38.6	Very low	41.7	Very low	96 Å²	96	98.9 Å²	98.9	49%	0.492	49%	0.491	S	S	.	.	H	α-helix	trans	-64	-50.8	175.9	-69.1	166.1	0	0	0	108.7	S196 R202 R203 H204	S196-I200 WeakPolarHBondContact O-CB 3.44Å; S196-I200 WeakPolarHBondContact O-CD1 3.44Å; S196-I200 WeakPolarHBondContact O-CG1 3.44Å; S196-I200 PolarHBondContact O-N 3.44Å; I200-R202 PolarHBondContact O-N 2.87Å; I200-R203 PolarHBondContact O-N 3.12Å; I200-H204 VanDerWaalsContact CG2-CD2 3.41Å; I200-H204 WeakPolarHBondContact CG2-CD2 3.48Å; I200-H204 VanDerWaalsContact O-CB 3.23Å; I200-H204 WeakPolarHBondContact O-CB 3.46Å; I200-H204 PolarHBondContact O-CD2 3.45Å; I200-H204 PolarHBondContact O-N 3.45Å
201	Q	39	Very low	42	Very low	107 Å²	107	94.3 Å²	94.3	50%	0.5	47%	0.473	S	S	.	.	H	α-helix	trans	-60.6	-44.5	178.5	-78.4	179.7	-31.1	0	0	113.2	K197 L205	K197-Q201 VanDerWaalsContact O-CB 3.28Å; K197-Q201 WeakPolarHBondContact O-CB 3.49Å; K197-Q201 WeakPolarHBondContact O-CG 3.46Å; K197-Q201 PolarHBondContact O-N 2.9Å; Q201-L205 WeakPolarHBondContact O-CB 3.48Å; Q201-L205 WeakPolarHBondContact O-CD1 3.21Å; Q201-L205 PolarHBondContact O-N 3.01Å
202	R	39.9	Very low	42.2	Very low	203 Å²	203	96.3 Å²	96.3	77%	0.766	48%	0.479	S	S	*	.	H	α-helix	trans	-68.9	-37.9	178.3	-76.6	-176.1	175.4	-169.6	-1.6	112.9	R198 I200 S206	R198-R202 VanDerWaalsContact O-CB 3.31Å; R198-R202 WeakPolarHBondContact O-CB 3.43Å; R198-R202 WeakPolarHBondContact O-CG 3.27Å; R198-R202 PolarHBondContact O-N 3.45Å; I200-R202 PolarHBondContact O-N 2.87Å; R202-S206 WeakPolarHBondContact O-CB 3.31Å; R202-S206 PolarHBondContact O-N 3.38Å; R202-S206 VanDerWaalsContact O-N 3.16Å; R202-S206 PolarHBondContact O-OG 3.41Å
203	R	38.9	Very low	42.7	Very low	166 Å²	166	98.3 Å²	98.3	63%	0.626	48%	0.48	S	S	*	.	H	α-helix	trans	-75.2	-31.8	179.8	-151.8	175.8	-159.2	176.9	5.3	111.7	L199 I200 S206 H207	L199-R203 WeakPolarHBondContact O-CB 3.46Å; L199-R203 PolarHBondContact O-N 2.92Å; I200-R203 PolarHBondContact O-N 3.12Å; R203-S206 PolarHBondContact O-OG 3.43Å; R203-H207 VanDerWaalsContact O-CB 3.31Å; R203-H207 WeakPolarHBondContact O-CB 3.21Å; R203-H207 PolarHBondContact O-CD2 3.08Å; R203-H207 VanDerWaalsContact O-CD2 3.3Å; R203-H207 PolarHBondContact O-N 3.46Å
204	H	36.9	Very low	43.4	Very low	125 Å²	125	99.5 Å²	99.5	58%	0.579	49%	0.491	S	S	*	.	H	α-helix	trans	-81.8	-32	175.7	-76.1	-79.4	0	0	0	113.5	I200 G208	I200-H204 VanDerWaalsContact CG2-CD2 3.41Å; I200-H204 WeakPolarHBondContact CG2-CD2 3.48Å; I200-H204 VanDerWaalsContact O-CB 3.23Å; I200-H204 WeakPolarHBondContact O-CB 3.46Å; I200-H204 PolarHBondContact O-CD2 3.45Å; I200-H204 PolarHBondContact O-N 3.45Å; H204-G208 WeakPolarHBondContact O-CA 3.28Å; H204-G208 PolarHBondContact O-N 2.94Å
205	L	38.7	Very low	44	Very low	120 Å²	120	97.8 Å²	97.8	63%	0.628	48%	0.484	S	S	*	.	H	α-helix	trans	-70.4	-43	172.5	-103	114.7	0	0	0	112.4	Q201 G208 M209	Q201-L205 WeakPolarHBondContact O-CB 3.48Å; Q201-L205 WeakPolarHBondContact O-CD1 3.21Å; Q201-L205 PolarHBondContact O-N 3.01Å; L205-G208 PolarHBondContact O-N 3.38Å; L205-M209 WeakPolarHBondContact O-CB 3.32Å; L205-M209 WeakPolarHBondContact O-CG 3.15Å; L205-M209 PolarHBondContact O-N 3.43Å
206	S	39	Very low	44.9	Very low	72 Å²	72	101.1 Å²	101.1	50%	0.503	49%	0.489	S	S	.	.	H	α-helix	trans	-68.5	-40.6	178.4	53.8	0	0	0	0	112.3	R202 R203 S210	R202-S206 WeakPolarHBondContact O-CB 3.31Å; R202-S206 PolarHBondContact O-N 3.38Å; R202-S206 VanDerWaalsContact O-N 3.16Å; R202-S206 PolarHBondContact O-OG 3.41Å; R203-S206 PolarHBondContact O-OG 3.43Å; S206-S210 PolarHBondContact O-N 2.85Å
207	H	42.8	Very low	46.2	Very low	67 Å²	67	104.2 Å²	104.2	31%	0.31	50%	0.496	S	S	.	.	H	α-helix	trans	-71.6	-37.1	173.5	-81.5	-43.6	0	0	0	113.1	R134 R203 S210 T211	R134-H207 PolarHBondContact NH1-ND1 2.65Å; R203-H207 VanDerWaalsContact O-CB 3.31Å; R203-H207 WeakPolarHBondContact O-CB 3.21Å; R203-H207 PolarHBondContact O-CD2 3.08Å; R203-H207 VanDerWaalsContact O-CD2 3.3Å; R203-H207 PolarHBondContact O-N 3.46Å; H207-S210 PolarHBondContact O-N 3.44Å; H207-S210 PolarHBondContact O-OG 3.31Å; H207-T211 WeakPolarHBondContact O-CB 3.35Å; H207-T211 WeakPolarHBondContact O-CG2 3.26Å; H207-T211 PolarHBondContact O-N 2.94Å; H207-T211 PolarHBondContact O-OG1 2.83Å
208	G	44.2	Very low	47.2	Very low	23 Å²	23	101.4 Å²	101.4	24%	0.237	50%	0.495	C	S	.	.	H	α-helix	trans	-63.1	-45.3	178.1	0	0	0	0	0	112.6	H204 L205 T211 L212	H204-G208 WeakPolarHBondContact O-CA 3.28Å; H204-G208 PolarHBondContact O-N 2.94Å; L205-G208 PolarHBondContact O-N 3.38Å; G208-T211 WeakPolarHBondContact CA-OG1 3.33Å; G208-T211 PolarHBondContact O-N 3.36Å; G208-T211 PolarHBondContact O-OG1 2.84Å; G208-L212 WeakPolarHBondContact O-CB 3.33Å; G208-L212 VanDerWaalsContact O-CG 3.31Å; G208-L212 WeakPolarHBondContact O-CG 3.23Å; G208-L212 PolarHBondContact O-N 3.35Å
209	M	43.9	Very low	48.3	Very low	128 Å²	128	98.2 Å²	98.2	63%	0.631	49%	0.489	S	S	*	.	H	α-helix	trans	-69.3	-38.7	177.9	-70.7	-61.4	-70.2	0	0	112.5	L205 T211 L212 F213	L205-M209 WeakPolarHBondContact O-CB 3.32Å; L205-M209 WeakPolarHBondContact O-CG 3.15Å; L205-M209 PolarHBondContact O-N 3.43Å; M209-T211 VanDerWaalsContact C-N 3.32Å; M209-T211 PolarHBondContact O-N 2.84Å; M209-L212 PolarHBondContact O-N 3.4Å; M209-L212 HydrophobicContact SD-CD1 4.36Å; M209-F213 WeakPolarHBondContact O-CB 3.26Å; M209-F213 PolarHBondContact O-N 3.29Å
210	S	48.1	Very low	49.5	Very low	60 Å²	60	96.6 Å²	96.6	42%	0.42	48%	0.48	S	S	.	.	H	α-helix	trans	-66.5	-36.3	175.8	84.1	0	0	0	0	111.9	S206 H207 T214	S206-S210 PolarHBondContact O-N 2.85Å; H207-S210 PolarHBondContact O-N 3.44Å; H207-S210 PolarHBondContact O-OG 3.31Å; S210-T214 PolarHBondContact O-N 3.02Å; S210-T214 PolarHBondContact O-OG1 3.03Å
211	T	51.7	Low	50.6	Low	25 Å²	25	96 Å²	96	15%	0.153	48%	0.477	C	S	.	.	H	α-helix	trans	-72.9	-36.9	176.3	48.2	0	0	0	0	113	H207 G208 M209 F213 T214 I215	H207-T211 WeakPolarHBondContact O-CB 3.35Å; H207-T211 WeakPolarHBondContact O-CG2 3.26Å; H207-T211 PolarHBondContact O-N 2.94Å; H207-T211 PolarHBondContact O-OG1 2.83Å; G208-T211 WeakPolarHBondContact CA-OG1 3.33Å; G208-T211 PolarHBondContact O-N 3.36Å; G208-T211 PolarHBondContact O-OG1 2.84Å; M209-T211 VanDerWaalsContact C-N 3.32Å; M209-T211 PolarHBondContact O-N 2.84Å; T211-F213 VanDerWaalsContact C-N 3.32Å; T211-T214 WeakPolarHBondContact CA-OG1 3.39Å; T211-T214 PolarHBondContact O-N 2.97Å; T211-T214 PolarHBondContact O-OG1 3.5Å; T211-T214 VanDerWaalsContact O-OG1 3.12Å; T211-I215 WeakPolarHBondContact O-CB 3.5Å; T211-I215 WeakPolarHBondContact O-CD1 3.31Å; T211-I215 WeakPolarHBondContact O-CG1 3.37Å; T211-I215 PolarHBondContact O-N 2.93Å
212	L	52.7	Low	51.2	Low	100 Å²	100	97.6 Å²	97.6	52%	0.524	48%	0.479	S	S	.	.	H	α-helix	trans	-65.5	-40.1	173.9	-77.2	169	0	0	0	110.9	G208 M209 I215 Y216	G208-L212 WeakPolarHBondContact O-CB 3.33Å; G208-L212 VanDerWaalsContact O-CG 3.31Å; G208-L212 WeakPolarHBondContact O-CG 3.23Å; G208-L212 PolarHBondContact O-N 3.35Å; M209-L212 PolarHBondContact O-N 3.4Å; M209-L212 HydrophobicContact SD-CD1 4.36Å; L212-I215 PolarHBondContact O-N 2.75Å; L212-Y216 VanDerWaalsContact O-CB 3.29Å; L212-Y216 WeakPolarHBondContact O-CB 3.41Å; L212-Y216 PolarHBondContact O-N 3.2Å
213	F	53.8	Low	51.9	Low	132 Å²	132	90.1 Å²	90.1	58%	0.579	46%	0.457	S	S	*	.	H	α-helix	trans	-64.5	-45	175.7	-169.8	-97.1	0	0	0	111.9	M209 T211 Y216 F217	M209-F213 WeakPolarHBondContact O-CB 3.26Å; M209-F213 PolarHBondContact O-N 3.29Å; T211-F213 VanDerWaalsContact C-N 3.32Å; F213-Y216 PolarHBondContact O-N 3.31Å; F213-F217 HydrophobicContact CE1-CD2 4.12Å; F213-F217 HydrophobicContact CZ-CD2 4.12Å; F213-F217 HydrophobicContact CZ-CE2 4.49Å; F213-F217 WeakPolarHBondContact O-CB 3.5Å; F213-F217 PolarHBondContact O-N 3.25Å
214	T	57.1	Low	52.5	Low	85 Å²	85	89.5 Å²	89.5	52%	0.521	46%	0.461	S	S	.	.	H	α-helix	trans	-68.3	-34.1	176.5	45	0	0	0	0	113.4	S210 T211 G218	S210-T214 PolarHBondContact O-N 3.02Å; S210-T214 PolarHBondContact O-OG1 3.03Å; T211-T214 WeakPolarHBondContact CA-OG1 3.39Å; T211-T214 PolarHBondContact O-N 2.97Å; T211-T214 PolarHBondContact O-OG1 3.5Å; T211-T214 VanDerWaalsContact O-OG1 3.12Å; T214-G218 PolarHBondContact O-N 2.86Å
215	I	61.5	Low	53.2	Low	62 Å²	62	90.1 Å²	90.1	32%	0.318	47%	0.468	S	S	.	.	H	α-helix	trans	-66.9	-43.8	173.1	-69.7	164.6	0	0	0	110.6	F145 T211 L212 G218 L219	F145-I215 HydrophobicContact CZ-CG2 4.33Å; T211-I215 WeakPolarHBondContact O-CB 3.5Å; T211-I215 WeakPolarHBondContact O-CD1 3.31Å; T211-I215 WeakPolarHBondContact O-CG1 3.37Å; T211-I215 PolarHBondContact O-N 2.93Å; L212-I215 PolarHBondContact O-N 2.75Å; I215-G218 PolarHBondContact O-N 3.43Å; I215-L219 HydrophobicContact CG2-CD1 4.22Å; I215-L219 WeakPolarHBondContact O-CB 3.18Å; I215-L219 PolarHBondContact O-N 3.25Å
216	Y	62.3	Low	53.6	Low	148 Å²	148	87.4 Å²	87.4	58%	0.58	46%	0.458	S	S	*	.	H	α-helix	trans	-61.7	-47.6	176.3	177.7	-101.7	0	0	0	111.4	L212 F213 G218 L219 L220	L212-Y216 VanDerWaalsContact O-CB 3.29Å; L212-Y216 WeakPolarHBondContact O-CB 3.41Å; L212-Y216 PolarHBondContact O-N 3.2Å; F213-Y216 PolarHBondContact O-N 3.31Å; Y216-G218 VanDerWaalsContact C-N 3.32Å; Y216-G218 PolarHBondContact O-N 3.06Å; Y216-L219 PolarHBondContact O-N 3.33Å; Y216-L220 HydrophobicContact CD1-CD1 4.42Å; Y216-L220 HydrophobicContact CE1-CD1 3.62Å; Y216-L220 HydrophobicContact CE2-CD1 4.44Å; Y216-L220 WeakPolarHBondContact O-CB 3.37Å; Y216-L220 PolarHBondContact O-N 3.21Å
217	F	63.2	Low	53.3	Low	113 Å²	113	86.2 Å²	86.2	50%	0.496	46%	0.457	S	S	.	.	H	α-helix	trans	-63.5	-38.8	177.5	-142.6	-90.6	0	0	0	111.6	F213 L220 I221	F213-F217 HydrophobicContact CE1-CD2 4.12Å; F213-F217 HydrophobicContact CZ-CD2 4.12Å; F213-F217 HydrophobicContact CZ-CE2 4.49Å; F213-F217 WeakPolarHBondContact O-CB 3.5Å; F213-F217 PolarHBondContact O-N 3.25Å; F217-L220 PolarHBondContact O-N 3.43Å; F217-I221 HydrophobicContact CD1-CD1 3.63Å; F217-I221 HydrophobicContact CD1-CG1 4.27Å; F217-I221 HydrophobicContact CE1-CD1 3.95Å; F217-I221 HydrophobicContact CE1-CG1 4.49Å; F217-I221 WeakPolarHBondContact O-CB 3.25Å; F217-I221 VanDerWaalsContact O-CG1 3.27Å; F217-I221 WeakPolarHBondContact O-CG1 3.36Å; F217-I221 PolarHBondContact O-N 2.85Å
218	G	60.2	Low	52.9	Low	38 Å²	38	89.7 Å²	89.7	39%	0.392	47%	0.472	S	S	.	.	H	α-helix	trans	-65.4	-38.9	173.8	0	0	0	0	0	113.3	T214 I215 Y216 Y222	T214-G218 PolarHBondContact O-N 2.86Å; I215-G218 PolarHBondContact O-N 3.43Å; Y216-G218 VanDerWaalsContact C-N 3.32Å; Y216-G218 PolarHBondContact O-N 3.06Å; G218-Y222 VanDerWaalsContact O-CB 3.24Å; G218-Y222 WeakPolarHBondContact O-CB 3.24Å; G218-Y222 PolarHBondContact O-N 3.36Å
219	L	64.9	Low	52.3	Low	83 Å²	83	95.9 Å²	95.9	44%	0.435	50%	0.499	S	S	.	.	H	α-helix	trans	-67.4	-39.1	173.9	-100.4	160.7	0	0	0	112	I215 Y216 Y222 V223	I215-L219 HydrophobicContact CG2-CD1 4.22Å; I215-L219 WeakPolarHBondContact O-CB 3.18Å; I215-L219 PolarHBondContact O-N 3.25Å; Y216-L219 PolarHBondContact O-N 3.33Å; L219-Y222 PolarHBondContact O-N 2.88Å; L219-V223 WeakPolarHBondContact O-CB 3.33Å; L219-V223 VanDerWaalsContact O-CG2 3.26Å; L219-V223 WeakPolarHBondContact O-CG2 3.31Å; L219-V223 PolarHBondContact O-N 3.4Å
220	L	61	Low	51.9	Low	76 Å²	76	99 Å²	99	40%	0.398	51%	0.506	S	S	.	.	H	α-helix	trans	-65.9	-47	178.9	-147.5	141.9	0	0	0	110.4	Y216 F217 Y222 V223 E224	Y216-L220 HydrophobicContact CD1-CD1 4.42Å; Y216-L220 HydrophobicContact CE1-CD1 3.62Å; Y216-L220 HydrophobicContact CE2-CD1 4.44Å; Y216-L220 WeakPolarHBondContact O-CB 3.37Å; Y216-L220 PolarHBondContact O-N 3.21Å; F217-L220 PolarHBondContact O-N 3.43Å; L220-Y222 VanDerWaalsContact C-N 3.31Å; L220-Y222 PolarHBondContact O-N 2.92Å; L220-V223 PolarHBondContact O-N 3Å; L220-E224 WeakPolarHBondContact O-CB 3.22Å; L220-E224 PolarHBondContact O-N 3.19Å
221	I	62.4	Low	51	Low	82 Å²	82	100.9 Å²	100.9	42%	0.421	53%	0.525	S	S	.	.	H	α-helix	trans	-59.8	-40.3	171.7	-68.8	168	0	0	0	111.3	F217 E224 L225	F217-I221 HydrophobicContact CD1-CD1 3.63Å; F217-I221 HydrophobicContact CD1-CG1 4.27Å; F217-I221 HydrophobicContact CE1-CD1 3.95Å; F217-I221 HydrophobicContact CE1-CG1 4.49Å; F217-I221 WeakPolarHBondContact O-CB 3.25Å; F217-I221 VanDerWaalsContact O-CG1 3.27Å; F217-I221 WeakPolarHBondContact O-CG1 3.36Å; F217-I221 PolarHBondContact O-N 2.85Å; I221-E224 PolarHBondContact O-N 2.81Å; I221-L225 HydrophobicContact CG2-CD1 3.53Å; I221-L225 HydrophobicContact CG2-CG 4.3Å; I221-L225 VanDerWaalsContact O-CB 3.26Å; I221-L225 WeakPolarHBondContact O-CB 3.42Å; I221-L225 WeakPolarHBondContact O-CD1 3.5Å; I221-L225 VanDerWaalsContact O-CG 3.31Å; I221-L225 WeakPolarHBondContact O-CG 3.49Å; I221-L225 PolarHBondContact O-N 2.77Å
222	Y	52.9	Low	50	Low	141 Å²	141	108.3 Å²	108.3	55%	0.553	56%	0.558	S	S	*	*	H	α-helix	trans	-67	-42.3	178.1	180	-99.7	0	0	0	112.7	G218 L219 L220 E224 L225 C226	G218-Y222 VanDerWaalsContact O-CB 3.24Å; G218-Y222 WeakPolarHBondContact O-CB 3.24Å; G218-Y222 PolarHBondContact O-N 3.36Å; L219-Y222 PolarHBondContact O-N 2.88Å; L220-Y222 VanDerWaalsContact C-N 3.31Å; L220-Y222 PolarHBondContact O-N 2.92Å; Y222-E224 VanDerWaalsContact C-N 3.3Å; Y222-E224 PolarHBondContact O-N 3.38Å; Y222-L225 PolarHBondContact O-N 3.43Å; Y222-C226 WeakPolarHBondContact CE2-SG 3.38Å; Y222-C226 VanDerWaalsContact O-CB 3.22Å; Y222-C226 WeakPolarHBondContact O-CB 3.24Å; Y222-C226 PolarHBondContact O-N 3.41Å
223	V	54	Low	49	Very low	47 Å²	47	108.9 Å²	108.9	29%	0.285	57%	0.57	S	S	.	*	H	α-helix	trans	-63.7	-38.8	176.6	169.5	0	0	0	0	110.8	L219 L220 G227 F228	L219-V223 WeakPolarHBondContact O-CB 3.33Å; L219-V223 VanDerWaalsContact O-CG2 3.26Å; L219-V223 WeakPolarHBondContact O-CG2 3.31Å; L219-V223 PolarHBondContact O-N 3.4Å; L220-V223 PolarHBondContact O-N 3Å; V223-G227 PolarHBondContact O-N 2.88Å; V223-F228 HydrophobicContact CG1-CB 4.38Å; V223-F228 HydrophobicContact CG1-CD2 4.49Å
224	E	51.8	Low	48.1	Very low	152 Å²	152	111.5 Å²	111.5	71%	0.71	58%	0.581	S	S	*	*	H	α-helix	trans	-73.4	-37.5	178.6	-156	156.3	-171.8	0	0	112.2	L220 I221 Y222 G227	L220-E224 WeakPolarHBondContact O-CB 3.22Å; L220-E224 PolarHBondContact O-N 3.19Å; I221-E224 PolarHBondContact O-N 2.81Å; Y222-E224 VanDerWaalsContact C-N 3.3Å; Y222-E224 PolarHBondContact O-N 3.38Å; E224-G227 PolarHBondContact O-N 2.81Å
225	L	52	Low	47	Very low	139 Å²	139	112.8 Å²	112.8	73%	0.728	59%	0.591	S	S	*	*	H	α-helix	trans	-71.8	-36.1	173.2	-80.9	164.6	0	0	0	113.7	I221 Y222 G227	I221-L225 HydrophobicContact CG2-CD1 3.53Å; I221-L225 HydrophobicContact CG2-CG 4.3Å; I221-L225 VanDerWaalsContact O-CB 3.26Å; I221-L225 WeakPolarHBondContact O-CB 3.42Å; I221-L225 WeakPolarHBondContact O-CD1 3.5Å; I221-L225 VanDerWaalsContact O-CG 3.31Å; I221-L225 WeakPolarHBondContact O-CG 3.49Å; I221-L225 PolarHBondContact O-N 2.77Å; Y222-L225 PolarHBondContact O-N 3.43Å; L225-G227 PolarHBondContact O-N 2.89Å
226	C	45.8	Very low	45.9	Very low	62 Å²	62	117.6 Å²	117.6	42%	0.419	62%	0.615	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.5	-0.6	177.2	-81.2	0	0	0	0	113	Y222 F228	Y222-C226 WeakPolarHBondContact CE2-SG 3.38Å; Y222-C226 VanDerWaalsContact O-CB 3.22Å; Y222-C226 WeakPolarHBondContact O-CB 3.24Å; Y222-C226 PolarHBondContact O-N 3.41Å; C226-F228 HydrophobicContact CB-CD2 4.15Å; C226-F228 HydrophobicContact CB-CE2 4.3Å; C226-F228 PolarHBondContact O-N 2.88Å
227	G	33.9	Very low	44.5	Very low	48 Å²	48	115.2 Å²	115.2	50%	0.495	62%	0.62	S	S	.	*	T	Hydrogen-bonded Turn	trans	56	40.4	172.6	0	0	0	0	0	111.8	V223 E224 L225 N229	V223-G227 PolarHBondContact O-N 2.88Å; E224-G227 PolarHBondContact O-N 2.81Å; L225-G227 PolarHBondContact O-N 2.89Å; G227-N229 VanDerWaalsContact C-N 3.29Å; G227-N229 PolarHBondContact O-N 2.78Å
228	F	32.9	Very low	43.3	Very low	139 Å²	139	115.7 Å²	115.7	61%	0.61	64%	0.637	S	S	*	*			trans	-60	102.4	168	-89.6	-80.4	0	0	0	106.8	V223 C226 Y230	V223-F228 HydrophobicContact CG1-CB 4.38Å; V223-F228 HydrophobicContact CG1-CD2 4.49Å; C226-F228 HydrophobicContact CB-CD2 4.15Å; C226-F228 HydrophobicContact CB-CE2 4.3Å; C226-F228 PolarHBondContact O-N 2.88Å; F228-Y230 VanDerWaalsContact C-N 3.31Å; F228-Y230 PolarHBondContact O-N 3.36Å
229	N	32.7	Very low	42.2	Very low	153 Å²	153	116.5 Å²	116.5	82%	0.818	65%	0.646	S	S	*	*			trans	-56.5	102.8	169	-74.8	-29.9	0	0	0	106.1	G227 A231	G227-N229 VanDerWaalsContact C-N 3.29Å; G227-N229 PolarHBondContact O-N 2.78Å; N229-A231 PolarHBondContact O-N 2.81Å
230	Y	35.3	Very low	40.7	Very low	195 Å²	195	119.6 Å²	119.6	77%	0.765	66%	0.663	S	S	*	*			trans	-50.2	117.7	158.9	-74.6	-87.7	0	0	0	105	F228 E232	F228-Y230 VanDerWaalsContact C-N 3.31Å; F228-Y230 PolarHBondContact O-N 3.36Å; Y230-E232 PolarHBondContact O-N 3.24Å
231	A	28.9	Very low	39.3	Very low	99 Å²	99	124.6 Å²	124.6	82%	0.818	68%	0.684	S	S	*	*			trans	-60.4	97.3	174	0	0	0	0	0	106	N229 S233	N229-A231 PolarHBondContact O-N 2.81Å; A231-S233 PolarHBondContact O-N 3.18Å
232	E	31.5	Very low	37.8	Very low	181 Å²	181	131.9 Å²	131.9	85%	0.846	71%	0.707	S	S	*	*			trans	-50	111.3	167	-84.7	-177.4	155.6	0	0	105.3	Y230 K234	Y230-E232 PolarHBondContact O-N 3.24Å; E232-K234 PolarHBondContact O-N 3.48Å
233	S	31.2	Very low	36.9	Very low	111 Å²	111	136 Å²	136	78%	0.776	72%	0.721	S	S	*	*			trans	-56.1	101.7	166.5	53.9	0	0	0	0	105.5	A231 P235	A231-S233 PolarHBondContact O-N 3.18Å; S233-P235 WeakPolarHBondContact O-CD 3.29Å
234	K	34.1	Very low	35.9	Very low	188 Å²	188	144.6 Å²	144.6	82%	0.817	75%	0.75	S	S	*	*			trans	-45.9	115.6	179.9	-152.9	175.2	-170.3	176.8	0	106.7	E232 I236	E232-K234 PolarHBondContact O-N 3.48Å; K234-I236 PolarHBondContact O-N 3.45Å; K234-I236 VanDerWaalsContact O-N 3.08Å
235	P	33.5	Very low	35.1	Very low	112 Å²	112	140.5 Å²	140.5	73%	0.727	75%	0.748	S	S	*	*			trans	-55.7	126.4	176.4	21.3	-30.3	0	0	0	106.1	S233 S237	S233-P235 WeakPolarHBondContact O-CD 3.29Å; P235-S237 PolarHBondContact O-N 2.73Å
236	I	38.6	Very low	34.1	Very low	163 Å²	163	140.5 Å²	140.5	84%	0.836	75%	0.749	S	S	*	*			trans	-54.4	112.3	171.9	-71.8	170.5	0	0	0	105.1	K234 S238	K234-I236 PolarHBondContact O-N 3.45Å; K234-I236 VanDerWaalsContact O-N 3.08Å; I236-S238 PolarHBondContact O-N 3.43Å
237	S	33.3	Very low	33.8	Very low	98 Å²	98	144.7 Å²	144.7	69%	0.685	77%	0.767	S	S	*	*			trans	-48.3	109.9	177.1	173.9	0	0	0	0	108.1	P235 G239	P235-S237 PolarHBondContact O-N 2.73Å; S237-G239 PolarHBondContact O-N 2.81Å
238	S	38.2	Very low	34	Very low	122 Å²	122	148.8 Å²	148.8	85%	0.853	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	18.7	176.3	48.5	0	0	0	0	112.8	I236	I236-S238 PolarHBondContact O-N 3.43Å
239	G	37.8	Very low	34.5	Very low	55 Å²	55	149 Å²	149	57%	0.567	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	-4.2	-179.4	0	0	0	0	0	115.5	S237	S237-G239 PolarHBondContact O-N 2.81Å
240	N	32.9	Very low	34.9	Very low	149 Å²	149	148.9 Å²	148.9	80%	0.797	78%	0.778	S	S	*	*	S	Bend	trans	-99	89.9	164.7	-83.7	-12.8	0	0	0	108.7	R242	N240-R242 PolarHBondContact O-N 2.76Å
241	E	31.6	Very low	34.8	Very low	180 Å²	180	145.7 Å²	145.7	84%	0.841	78%	0.781	S	S	*	*			trans	-41.9	85.8	158.5	-71.6	175.4	136.5	0	0	110.5	R243	E241-R243 PolarHBondContact O-N 2.63Å
242	R	32	Very low	35.4	Very low	236 Å²	236	147.3 Å²	147.3	89%	0.891	78%	0.781	S	S	*	*			trans	-74.8	87.5	149.2	-74	-170.1	178	-166.5	0.8	104.3	N240 Y244	N240-R242 PolarHBondContact O-N 2.76Å; R242-Y244 PolarHBondContact O-N 3.44Å
243	R	32.5	Very low	35.7	Very low	227 Å²	227	148.4 Å²	148.4	86%	0.857	78%	0.783	S	S	*	*			trans	-23.4	114.2	168.6	-75.2	177.7	169.6	-174.1	-4.5	108.6	E241 G245	E241-R243 PolarHBondContact O-N 2.63Å; R243-G245 PolarHBondContact O-N 2.91Å
244	Y	34	Very low	36.1	Very low	227 Å²	227	148 Å²	148	89%	0.89	78%	0.78	S	S	*	*			trans	-48.2	105.1	152.4	-78.2	-88.6	0	0	0	104.6	R242 N246	R242-Y244 PolarHBondContact O-N 3.44Å; Y244-N246 VanDerWaalsContact C-N 3.31Å; Y244-N246 PolarHBondContact O-N 2.79Å
245	G	33.6	Very low	36.3	Very low	66 Å²	66	144 Å²	144	68%	0.68	78%	0.776	S	S	*	*			trans	-58.5	109.8	167.4	0	0	0	0	0	103.9	R243 L247	R243-G245 PolarHBondContact O-N 2.91Å; G245-L247 VanDerWaalsContact C-N 3.31Å; G245-L247 PolarHBondContact O-N 3.39Å
246	N	32.4	Very low	36.6	Very low	140 Å²	140	145.5 Å²	145.5	75%	0.749	78%	0.783	S	S	*	*			trans	-45.9	112.8	155.1	-85.5	-8.5	0	0	0	104.6	Y244 D248	Y244-N246 VanDerWaalsContact C-N 3.31Å; Y244-N246 PolarHBondContact O-N 2.79Å; N246-D248 PolarHBondContact O-N 2.81Å
247	L	38.3	Very low	36.4	Very low	149 Å²	149	147.1 Å²	147.1	78%	0.78	79%	0.787	S	S	*	*			trans	-67.1	79.9	167.3	-164.9	82.5	0	0	0	104.6	G245 L249	G245-L247 VanDerWaalsContact C-N 3.31Å; G245-L247 PolarHBondContact O-N 3.39Å; L247-L249 VanDerWaalsContact C-N 3.31Å; L247-L249 HydrophobicContact CD2-CD2 4.24Å; L247-L249 HydrophobicContact CD2-CG 4.42Å; L247-L249 PolarHBondContact O-N 3.36Å
248	D	39.1	Very low	36.8	Very low	134 Å²	134	151 Å²	151	72%	0.717	80%	0.795	S	S	*	*			trans	-64	100.3	171.2	-94.3	-22.9	0	0	0	106	N246 H250	N246-D248 PolarHBondContact O-N 2.81Å; D248-H250 PolarHBondContact O-N 2.96Å
249	L	42.3	Very low	36.6	Very low	143 Å²	143	157.2 Å²	157.2	75%	0.749	80%	0.799	S	S	*	*			trans	-69.4	18.3	176.7	-75.8	157.2	0	0	0	112.6	L247	L247-L249 VanDerWaalsContact C-N 3.31Å; L247-L249 HydrophobicContact CD2-CD2 4.24Å; L247-L249 HydrophobicContact CD2-CG 4.42Å; L247-L249 PolarHBondContact O-N 3.36Å
250	H	41.4	Very low	36.8	Very low	152 Å²	152	160.4 Å²	160.4	70%	0.704	81%	0.808	S	S	*	*			trans	-131	105.6	-179.8	-73.6	-65.5	0	0	0	111.1	D248 T252	D248-H250 PolarHBondContact O-N 2.96Å; H250-T252 PolarHBondContact O-N 3.43Å
251	P	34.9	Very low	37.1	Very low	127 Å²	127	159 Å²	159	83%	0.825	81%	0.807	S	S	*	*			trans	-77	94.5	176.4	30.6	-30.6	0	0	0	109.6
252	T	40.9	Very low	37.2	Very low	133 Å²	133	159.4 Å²	159.4	82%	0.816	81%	0.806	S	S	*	*			trans	-82.4	119.7	165.8	37.7	0	0	0	0	110.4	H250 S254	H250-T252 PolarHBondContact O-N 3.43Å; T252-S254 PolarHBondContact O-N 2.8Å
253	K	36.5	Very low	37.5	Very low	205 Å²	205	154.5 Å²	154.5	89%	0.891	80%	0.802	S	S	*	*			trans	-52.7	106.8	-178.9	-61.9	167.8	178.2	175.9	0	112.6
254	S	41.2	Very low	37.7	Very low	101 Å²	101	148.8 Å²	148.8	71%	0.706	79%	0.792	S	S	*	*			trans	-169.3	103.5	149.7	51.4	0	0	0	0	112	T252	T252-S254 PolarHBondContact O-N 2.8Å
255	S	37.8	Very low	38.2	Very low	106 Å²	106	144.2 Å²	144.2	74%	0.741	78%	0.78	S	S	*	*			trans	28.3	100.2	136.4	59.8	0	0	0	0	118.2
256	T	40.2	Very low	38.6	Very low	143 Å²	143	145.7 Å²	145.7	88%	0.877	78%	0.778	S	S	*	*				-178.3	138.1	112.4	25.1	0	0	0	0	110	Q258	T256-Q258 PolarHBondContact O-N 3.5Å
257	Q	34.4	Very low	39.1	Very low	196 Å²	196	144.3 Å²	144.3	92%	0.916	78%	0.776	S	S	*	*			trans	-66.1	110.6	-169.7	-65.8	161	-23.5	0	0	111.7
258	Q	40.3	Very low	38.9	Very low	180 Å²	180	147.6 Å²	147.6	84%	0.841	78%	0.78	S	S	*	*			trans	-130.7	112.4	155.1	-85	-172.2	-19.6	0	0	109.6	T256 T260	T256-Q258 PolarHBondContact O-N 3.5Å; Q258-T260 PolarHBondContact O-N 2.8Å
259	R	35.6	Very low	38.9	Very low	253 Å²	253	148.1 Å²	148.1	96%	0.955	78%	0.783	S	S	*	*			trans	-64.6	91.5	176.9	-73.4	175.8	170.4	176.3	-3.5	109.9
260	T	40.6	Very low	38.8	Very low	121 Å²	121	148.3 Å²	148.3	74%	0.742	78%	0.784	S	S	*	*			trans	-84.6	127.5	159.9	46.5	0	0	0	0	108.9	Q258 K262	Q258-T260 PolarHBondContact O-N 2.8Å; T260-K262 PolarHBondContact O-N 2.84Å; T260-K262 VanDerWaalsContact O-N 3.08Å
261	P	39.1	Very low	38.4	Very low	119 Å²	119	144.2 Å²	144.2	77%	0.773	78%	0.783	S	S	*	*			trans	-66.4	112.7	-179.4	26.7	-31.3	0	0	0	109.4	V263	P261-V263 PolarHBondContact O-N 3.41Å; P261-V263 VanDerWaalsContact O-N 3.11Å
262	K	34.6	Very low	38.4	Very low	189 Å²	189	147 Å²	147	82%	0.822	78%	0.782	S	S	*	*			trans	-74.4	94.2	170.4	-165.1	178.6	-174.8	-178.5	0	107.4	T260 V264	T260-K262 PolarHBondContact O-N 2.84Å; T260-K262 VanDerWaalsContact O-N 3.08Å; K262-V264 HydrophobicContact CD-CG2 4.44Å; K262-V264 HydrophobicContact CG-CG2 4.17Å; K262-V264 PolarHBondContact O-N 3.37Å; K262-V264 VanDerWaalsContact O-N 3.15Å
263	V	37.3	Very low	38.2	Very low	133 Å²	133	150.3 Å²	150.3	81%	0.806	79%	0.785	S	S	*	*			trans	-78.6	95.8	169.5	-178	0	0	0	0	106.9	P261 M265	P261-V263 PolarHBondContact O-N 3.41Å; P261-V263 VanDerWaalsContact O-N 3.11Å; V263-M265 PolarHBondContact O-N 2.83Å
264	V	38.4	Very low	37.9	Very low	107 Å²	107	143 Å²	143	65%	0.648	77%	0.768	S	S	*	*			trans	-72.3	114.4	168.8	-179.5	0	0	0	0	106.2	K262	K262-V264 HydrophobicContact CD-CG2 4.44Å; K262-V264 HydrophobicContact CG-CG2 4.17Å; K262-V264 PolarHBondContact O-N 3.37Å; K262-V264 VanDerWaalsContact O-N 3.15Å
265	M	42.9	Very low	37.4	Very low	132 Å²	132	147 Å²	147	65%	0.65	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-59.2	127.4	170.1	-159	170	147.2	0	0	107	V263	V263-M265 PolarHBondContact O-N 2.83Å
266	P	41.9	Very low	37.2	Very low	96 Å²	96	149.9 Å²	149.9	62%	0.623	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-55.6	140.9	175.6	23.1	-30.7	0	0	0	108.2	Y268	P266-Y268 PolarHBondContact O-N 2.97Å
267	P	43.4	Very low	36.9	Very low	111 Å²	111	148 Å²	148	72%	0.721	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-52.6	143.4	176.6	24	-32.5	0	0	0	108.7	D269	P267-D269 PolarHBondContact O-N 3.38Å
268	Y	34.2	Very low	36.9	Very low	218 Å²	218	144.7 Å²	144.7	86%	0.855	75%	0.752	S	S	*	*	S	Bend	trans	-49.4	85	176.1	-73	-92.3	0	0	0	111	P266	P266-Y268 PolarHBondContact O-N 2.97Å
269	D	39.4	Very low	36.7	Very low	145 Å²	145	144.5 Å²	144.5	78%	0.775	75%	0.751	S	S	*	*			trans	-148.9	50.1	173.5	-146.3	3.4	0	0	0	106.8	P267 G271	P267-D269 PolarHBondContact O-N 3.38Å; D269-G271 PolarHBondContact O-N 3.38Å
270	L	40.2	Very low	36.9	Very low	147 Å²	147	140.3 Å²	140.3	77%	0.77	74%	0.742	S	S	*	*	S	Bend	trans	-73.3	51.7	169.4	-82.8	172.3	0	0	0	109.8	F272	L270-F272 HydrophobicContact CB-CD2 4.32Å; L270-F272 HydrophobicContact CB-CE2 4.46Å; L270-F272 WeakPolarHBondContact O-CD2 3.3Å; L270-F272 PolarHBondContact O-N 2.96Å
271	G	32	Very low	36.4	Very low	66 Å²	66	142.1 Å²	142.1	68%	0.68	75%	0.748	S	S	*	*			trans	51.1	13.9	159.5	0	0	0	0	0	117.3	D269 K273	D269-G271 PolarHBondContact O-N 3.38Å; G271-K273 PolarHBondContact O-N 2.93Å
272	F	36.1	Very low	36.1	Very low	187 Å²	187	145 Å²	145	82%	0.82	75%	0.748	S	S	*	*			trans	-68.8	82	165.4	-73.1	-79.5	0	0	0	104.2	L270 G274	L270-F272 HydrophobicContact CB-CD2 4.32Å; L270-F272 HydrophobicContact CB-CE2 4.46Å; L270-F272 WeakPolarHBondContact O-CD2 3.3Å; L270-F272 PolarHBondContact O-N 2.96Å; F272-G274 PolarHBondContact O-N 3.02Å
273	K	37.2	Very low	35.9	Very low	201 Å²	201	141.4 Å²	141.4	87%	0.874	74%	0.741	S	S	*	*			trans	-53.2	89.7	138.1	-103.4	-177.7	174.6	-179.7	0	103.9	G271 Q275	G271-K273 PolarHBondContact O-N 2.93Å; K273-Q275 PolarHBondContact O-N 2.69Å
274	G	29.8	Very low	35.5	Very low	52 Å²	52	142.4 Å²	142.4	54%	0.536	74%	0.735	S	S	.	*			trans	-43.1	118.4	146.7	0	0	0	0	0	104.1	F272 K276	F272-G274 PolarHBondContact O-N 3.02Å; G274-K276 PolarHBondContact O-N 2.91Å
275	Q	31	Very low	35.1	Very low	186 Å²	186	144.8 Å²	144.8	87%	0.869	74%	0.743	S	S	*	*			trans	-51.5	96.1	139.9	-98.6	179.6	-20.1	0	0	103.6	K273 T277	K273-Q275 PolarHBondContact O-N 2.69Å; Q275-T277 PolarHBondContact O-N 3.41Å
276	K	32.6	Very low	34.4	Very low	166 Å²	166	145.9 Å²	145.9	72%	0.722	74%	0.741	S	S	*	*			trans	-49.4	103.1	149.5	-68.2	-179.3	175.9	-177.6	0	102.7	G274 D278	G274-K276 PolarHBondContact O-N 2.91Å; K276-D278 WeakPolarHBondContact CB-OD1 3.29Å; K276-D278 PolarHBondContact O-N 3.49Å
277	T	34.3	Very low	33.9	Very low	103 Å²	103	146.4 Å²	146.4	63%	0.632	75%	0.745	S	S	*	*			trans	-58.3	90.7	144.6	35.5	0	0	0	0	103.6	Q275 E279	Q275-T277 PolarHBondContact O-N 3.41Å; T277-E279 PolarHBondContact O-N 3.41Å
278	D	33.9	Very low	33.2	Very low	127 Å²	127	149.9 Å²	149.9	68%	0.679	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	19.4	174.1	-90.2	-26.2	0	0	0	111.7	K276	K276-D278 WeakPolarHBondContact CB-OD1 3.29Å; K276-D278 PolarHBondContact O-N 3.49Å
279	E	36.7	Very low	33.1	Very low	176 Å²	176	143.8 Å²	143.8	82%	0.822	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.9	-4	-169	-65.9	-164.7	151	0	0	115.9	T277	T277-E279 PolarHBondContact O-N 3.41Å
280	Q	39.1	Very low	32.6	Very low	164 Å²	164	142 Å²	142	77%	0.766	75%	0.745	S	S	*	*	S	Bend	trans	-120.7	-0.9	-178.5	-83.7	-179.4	-10.9	0	0	117.5
281	N	30.7	Very low	32	Very low	160 Å²	160	140.5 Å²	140.5	86%	0.856	75%	0.746	S	S	*	*			trans	-121.8	40.8	165.9	-91.1	-20.7	0	0	0	112.7	V283	N281-V283 PolarHBondContact O-N 3.15Å
282	K	32.9	Very low	31.9	Very low	178 Å²	178	142.8 Å²	142.8	77%	0.774	75%	0.749	S	S	*	*			trans	-86.6	93.1	145.7	-80	-178.2	-178.7	172.7	0	106.6	K284	K282-K284 VanDerWaalsContact C-N 3.32Å; K282-K284 PolarHBondContact O-N 3.43Å
283	V	30.1	Very low	31.7	Very low	114 Å²	114	141.4 Å²	141.4	69%	0.691	75%	0.75	S	S	*	*			trans	-47.1	111.7	151	174.6	0	0	0	0	104.9	N281 L285	N281-V283 PolarHBondContact O-N 3.15Å; V283-L285 HydrophobicContact CG1-CG 4.38Å; V283-L285 PolarHBondContact O-N 3.37Å
284	K	29.2	Very low	31.5	Very low	154 Å²	154	136.7 Å²	136.7	67%	0.67	74%	0.738	S	S	*	*			trans	-59.2	85.1	165.5	-98.4	170	164.8	-175.9	0	106.1	K282 Y286	K282-K284 VanDerWaalsContact C-N 3.32Å; K282-K284 PolarHBondContact O-N 3.43Å; K284-Y286 HydrophobicContact CB-CD2 3.98Å; K284-Y286 HydrophobicContact CB-CE2 3.94Å; K284-Y286 HydrophobicContact CD-CD2 4.46Å; K284-Y286 HydrophobicContact CD-CE2 3.59Å; K284-Y286 VanDerWaalsContact CE-OH 3.29Å; K284-Y286 WeakPolarHBondContact CE-OH 3.48Å; K284-Y286 HydrophobicContact CG-CD2 4.45Å; K284-Y286 HydrophobicContact CG-CE2 4.01Å; K284-Y286 PolarHBondContact NZ-OH 2.81Å; K284-Y286 PolarHBondContact O-N 2.8Å
285	L	29.7	Very low	31.3	Very low	157 Å²	157	145 Å²	145	82%	0.822	76%	0.755	S	S	*	*			trans	-68.3	83.6	153.6	-80	161.4	0	0	0	104.7	V283	V283-L285 HydrophobicContact CG1-CG 4.38Å; V283-L285 PolarHBondContact O-N 3.37Å
286	Y	29	Very low	31.3	Very low	155 Å²	155	141 Å²	141	61%	0.608	75%	0.747	S	S	*	*			trans	-64.5	126.8	158.8	-77.7	-72.4	0	0	0	106.6	K284 L288	K284-Y286 HydrophobicContact CB-CD2 3.98Å; K284-Y286 HydrophobicContact CB-CE2 3.94Å; K284-Y286 HydrophobicContact CD-CD2 4.46Å; K284-Y286 HydrophobicContact CD-CE2 3.59Å; K284-Y286 VanDerWaalsContact CE-OH 3.29Å; K284-Y286 WeakPolarHBondContact CE-OH 3.48Å; K284-Y286 HydrophobicContact CG-CD2 4.45Å; K284-Y286 HydrophobicContact CG-CE2 4.01Å; K284-Y286 PolarHBondContact NZ-OH 2.81Å; K284-Y286 PolarHBondContact O-N 2.8Å; Y286-L288 PolarHBondContact O-N 3.08Å
287	P	31.1	Very low	31.1	Very low	108 Å²	108	137.9 Å²	137.9	70%	0.701	75%	0.746	S	S	*	*			trans	-64.2	111.4	169.3	27.1	-28.9	0	0	0	106.6	S289	P287-S289 PolarHBondContact O-N 2.89Å
288	L	28.1	Very low	30.9	Very low	183 Å²	183	142 Å²	142	96%	0.958	76%	0.755	S	S	*	*			trans	-66.9	90.2	162.2	-86.9	106	0	0	0	107.1	Y286	Y286-L288 PolarHBondContact O-N 3.08Å
289	S	31.1	Very low	30.8	Very low	90 Å²	90	142.4 Å²	142.4	63%	0.629	76%	0.757	S	S	*	*			trans	-112.3	125.2	162.3	64.1	0	0	0	0	109	P287	P287-S289 PolarHBondContact O-N 2.89Å
290	S	29	Very low	30.5	Very low	108 Å²	108	138 Å²	138	76%	0.755	75%	0.745	S	S	*	*			trans	59.6	102.5	158.5	60.8	0	0	0	0	116.8
291	S	29.2	Very low	30.1	Very low	116 Å²	116	136.8 Å²	136.8	81%	0.811	74%	0.744	S	S	*	*				-158.9	139.4	101.3	-77.4	0	0	0	0	110.4
292	P	29.4	Very low	30.1	Very low	113 Å²	113	139.8 Å²	139.8	73%	0.734	75%	0.745	S	S	*	*			trans	-84.6	157.4	-167.6	36.8	-34.2	0	0	0	110.6
293	L	31.9	Very low	30	Very low	159 Å²	159	138.9 Å²	138.9	83%	0.832	75%	0.749	S	S	*	*			trans	172.8	87.5	146.1	-89.4	152	0	0	0	106
294	T	32.4	Very low	30.1	Very low	101 Å²	101	140 Å²	140	62%	0.62	75%	0.751	S	S	*	*				82	103.8	103.8	38.8	0	0	0	0	114.9
295	Y	26.5	Very low	30.2	Very low	228 Å²	228	139 Å²	139	89%	0.894	75%	0.753	S	S	*	*			trans	58.1	142.9	146.7	-63.1	-85.2	0	0	0	118.1
296	S	30.7	Very low	30.1	Very low	102 Å²	102	141.7 Å²	141.7	71%	0.713	76%	0.758	S	S	*	*			cis	-148.9	133	21.3	49	0	0	0	0	111.6
297	S	27	Very low	30.3	Very low	99 Å²	99	140.8 Å²	140.8	69%	0.692	76%	0.764	S	S	*	*			trans	-15	135.9	151.8	53	0	0	0	0	117.5
298	F	31.4	Very low	30.3	Very low	190 Å²	190	144 Å²	144	83%	0.833	77%	0.77	S	S	*	*			trans	-158.3	113.2	132.8	-111.5	-86.6	0	0	0	109.9
299	L	32.1	Very low	30.5	Very low	136 Å²	136	144.7 Å²	144.7	71%	0.712	77%	0.77	S	S	*	*			trans	51.7	111.9	161.2	-79.5	94.6	0	0	0	119.7
300	S	30.3	Very low	30.5	Very low	82 Å²	82	150.8 Å²	150.8	57%	0.573	79%	0.785	S	S	*	*				84.6	125.7	52.7	81.3	0	0	0	0	114.5
301	D	30.2	Very low	30.5	Very low	140 Å²	140	148.5 Å²	148.5	75%	0.749	78%	0.779	S	S	*	*			trans	73.1	97.3	148.9	-51.9	-29.4	0	0	0	119.3
302	Y	31.6	Very low	30.6	Very low	223 Å²	223	153.1 Å²	153.1	88%	0.875	79%	0.785	S	S	*	*				-156.5	81.7	126.6	-106.6	-76	0	0	0	109.3
303	N	29.7	Very low	30.7	Very low	159 Å²	159	156.6 Å²	156.6	85%	0.85	79%	0.792	S	S	*	*			trans	-84.3	122	150.4	-100.9	-19.5	0	0	0	105.9
304	D	33	Very low	30.5	Very low	137 Å²	137	153.2 Å²	153.2	73%	0.733	78%	0.781	S	S	*	*			trans	-155.6	112.8	153	-97.8	-29.6	0	0	0	111.5
305	N	30.6	Very low	30.5	Very low	134 Å²	134	156.7 Å²	156.7	72%	0.717	80%	0.796	S	S	*	*			trans	-12.1	129	156.3	-64.1	-45.7	0	0	0	118.1
306	F	28.2	Very low	30.6	Very low	213 Å²	213	153.5 Å²	153.5	93%	0.934	79%	0.789	S	S	*	*			trans	-137.4	75	139.5	-109.3	-85	0	0	0	109.5
307	D	32.8	Very low	30.6	Very low	136 Å²	136	155.2 Å²	155.2	73%	0.727	80%	0.795	S	S	*	*			trans	-70	148.8	151.7	-110.9	-25.4	0	0	0	108.9
308	Q	30.6	Very low	30.6	Very low	176 Å²	176	161.4 Å²	161.4	82%	0.822	81%	0.805	S	S	*	*			trans	78.6	95.6	167.8	-54.8	173.5	17.8	0	0	118.3
309	M	31.8	Very low	30.6	Very low	197 Å²	197	158.4 Å²	158.4	97%	0.97	80%	0.802	S	S	*	*			trans	-146.7	105.5	130.5	-109.2	-179.8	178.8	0	0	111
310	K	32.1	Very low	30.5	Very low	217 Å²	217	161.9 Å²	161.9	94%	0.943	81%	0.806	S	S	*	*			trans	-62.4	146.6	167.4	-72.5	178.3	172.2	179.1	0	110.7
311	G	29.8	Very low	30.5	Very low	61 Å²	61	165.9 Å²	165.9	63%	0.629	82%	0.821	S	S	*	*			trans	134.7	93.6	148.3	0	0	0	0	0	114.4
312	F	30.9	Very low	30.5	Very low	213 Å²	213	163.5 Å²	163.5	93%	0.934	82%	0.815	S	S	*	*				-155	127.2	120.6	-97.1	-72.5	0	0	0	108.5
313	Q	31.1	Very low	30.5	Very low	186 Å²	186	161.2 Å²	161.2	87%	0.869	81%	0.813	S	S	*	*			trans	-77.5	147.4	-159.8	-69.3	158.5	-61.2	0	0	113.5
314	S	28.5	Very low	30.7	Very low	87 Å²	87	158.9 Å²	158.9	61%	0.608	80%	0.804	S	S	*	*			trans	-65.9	141.5	158.1	46.1	0	0	0	0	112.1
315	D	31.1	Very low	30.4	Very low	174 Å²	174	160.6 Å²	160.6	93%	0.93	81%	0.807	S	S	*	*			trans	-111.3	108.5	144.6	-93.2	-19.7	0	0	0	107.9
316	E	29.4	Very low	30.4	Very low	162 Å²	162	162.3 Å²	162.3	76%	0.757	81%	0.811	S	S	*	*			trans	-70.3	154.5	173.5	-57.1	175.6	153.3	0	0	110.4
317	T	31.5	Very low	30.4	Very low	137 Å²	137	161.4 Å²	161.4	84%	0.84	81%	0.81	S	S	*	*				-167.1	94.9	124	13.9	0	0	0	0	110.2
318	Y	25.1	Very low	30.2	Very low	229 Å²	229	165.7 Å²	165.7	90%	0.898	82%	0.816	S	S	*	*			trans	-89.5	124.9	154.1	-90.2	-88.2	0	0	0	108.5
319	V	32.6	Very low	30.2	Very low	128 Å²	128	167.4 Å²	167.4	78%	0.776	82%	0.821	S	S	*	*			trans	-116.6	94.6	157.8	177.2	0	0	0	0	103.9
320	R	29.3	Very low	30.2	Very low	209 Å²	209	164.9 Å²	164.9	79%	0.789	81%	0.806	S	S	*	*				47.8	86.8	84.1	-154.9	-177.9	-154.4	172.3	7.6	112.2
321	D	31.5	Very low	29.9	Very low	166 Å²	166	162.9 Å²	162.9	89%	0.888	80%	0.8	S	S	*	*			trans	-138.6	105.8	132.9	-92.4	-30.8	0	0	0	110.4
322	S	30	Very low	29.8	Very low	90 Å²	90	169.5 Å²	169.5	63%	0.629	81%	0.807	S	S	*	*			trans	-75.8	125.4	166.6	42.7	0	0	0	0	109.5
323	Q	31.9	Very low	29.8	Very low	175 Å²	175	167.2 Å²	167.2	82%	0.818	80%	0.8	S	S	*	*			trans	-167.9	122.2	141.3	-108.7	166.4	29	0	0	112
324	T	32.1	Very low	29.5	Very low	109 Å²	109	170.2 Å²	170.2	67%	0.669	80%	0.803	S	S	*	*			trans	61.9	107.3	143.9	45.6	0	0	0	0	118.4
325	Q	28.2	Very low	29.5	Very low	173 Å²	173	172.6 Å²	172.6	81%	0.808	81%	0.814	S	S	*	*				66.7	127.1	88.3	-80.3	-174.1	1.2	0	0	114.1
326	Q	29.9	Very low	29.4	Very low	171 Å²	171	167.4 Å²	167.4	80%	0.799	80%	0.801	S	S	*	*			trans	109.7	99.5	157.7	-61.6	-176.3	-1.3	0	0	116	R328	Q326-R328 PolarHBondContact O-N 2.92Å
327	Q	27.4	Very low	29.3	Very low	194 Å²	194	171.2 Å²	171.2	91%	0.907	81%	0.808	S	S	*	*				15.2	105.4	123.8	-67	176.8	-3.2	0	0	114.7
328	R	29	Very low	29.3	Very low	226 Å²	226	171.2 Å²	171.2	85%	0.853	80%	0.803	S	S	*	*			trans	-148.7	101.6	147.8	-110	174	-172.8	-158.1	0.9	109.9	Q326 Q330	Q326-R328 PolarHBondContact O-N 2.92Å; R328-Q330 PolarHBondContact O-N 2.79Å
329	K	30.7	Very low	29.6	Very low	212 Å²	212	167 Å²	167	92%	0.922	80%	0.796	S	S	*	*			trans	-47.9	116.1	152.9	-68.3	176.1	175.3	179.5	0	107.4
330	Q	32.4	Very low	29.7	Very low	143 Å²	143	170.7 Å²	170.7	67%	0.668	80%	0.802	S	S	*	*			trans	-102	101.7	163.8	-73.7	-163	-8.6	0	0	108.5	R328 Y332	R328-Q330 PolarHBondContact O-N 2.79Å; Q330-Y332 HydrophobicContact CB-CD2 4.43Å; Q330-Y332 HydrophobicContact CB-CE2 4.21Å
331	H	25.1	Very low	29.8	Very low	175 Å²	175	167.6 Å²	167.6	81%	0.81	80%	0.801	S	S	*	*			trans	-73	118.2	165.1	-160.9	62.3	0	0	0	106.8
332	Y	29	Very low	30	Very low	200 Å²	200	165.2 Å²	165.2	78%	0.784	80%	0.798	S	S	*	*			trans	-114.2	132.3	162.6	-82.1	-77.1	0	0	0	109.6	Q330	Q330-Y332 HydrophobicContact CB-CD2 4.43Å; Q330-Y332 HydrophobicContact CB-CE2 4.21Å
333	Q	29.1	Very low	30.1	Very low	165 Å²	165	168.5 Å²	168.5	77%	0.771	80%	0.803	S	S	*	*			trans	-86.6	133.6	-156.8	-169.3	161.2	-2.7	0	0	110.6	V335	Q333-V335 PolarHBondContact O-N 3.19Å
334	R	25.3	Very low	30	Very low	250 Å²	250	169.2 Å²	169.2	94%	0.943	81%	0.806	S	S	*	*			trans	-63.8	121.8	167.2	-106.5	-178	174.9	-161.8	-1.1	108.5
335	V	29.3	Very low	30.1	Very low	137 Å²	137	172.3 Å²	172.3	83%	0.83	81%	0.813	S	S	*	*			trans	-102.2	109	165.9	-169	0	0	0	0	106.9	Q333	Q333-V335 PolarHBondContact O-N 3.19Å
336	G	27.6	Very low	30.2	Very low	64 Å²	64	169.9 Å²	169.9	66%	0.66	81%	0.81	S	S	*	*			trans	-71	139.2	166.5	0	0	0	0	0	109.4
337	R	29	Very low	30.3	Very low	242 Å²	242	168.2 Å²	168.2	91%	0.913	81%	0.807	S	S	*	*			trans	-106.3	73	173	-156.1	178.3	-168.2	177.6	2.4	107.9
338	D	30.1	Very low	30.4	Very low	137 Å²	137	165.1 Å²	165.1	73%	0.733	80%	0.797	S	S	*	*			trans	-74.9	153.6	160.1	-65.3	-33.5	0	0	0	108.9
339	N	32.4	Very low	30.6	Very low	140 Å²	140	160.5 Å²	160.5	75%	0.749	79%	0.789	S	S	*	*			trans	85.8	84.4	165.6	-54	-18	0	0	0	118
340	F	33.4	Very low	30.7	Very low	206 Å²	206	156.6 Å²	156.6	90%	0.904	78%	0.778	S	S	*	*			trans	-135.9	101.4	134.8	-102.9	-85.1	0	0	0	108.4
341	N	31.6	Very low	30.8	Very low	144 Å²	144	155.6 Å²	155.6	77%	0.77	78%	0.777	S	S	*	*			trans	-65.7	138.3	170.9	-76.4	-16.7	0	0	0	110.2
342	S	37.1	Very low	31	Very low	116 Å²	116	153.5 Å²	153.5	81%	0.811	77%	0.772	S	S	*	*			trans	-117.9	109.8	143.4	52.4	0	0	0	0	106.4
343	Q	30.5	Very low	31.2	Very low	160 Å²	160	149.9 Å²	149.9	75%	0.748	77%	0.767	S	S	*	*			trans	-52.9	131.4	178.2	-89.9	157.3	-87.9	0	0	111.7
344	E	31.2	Very low	31.1	Very low	189 Å²	189	148.7 Å²	148.7	88%	0.883	77%	0.765	S	S	*	*			trans	-64.9	124.2	147.6	-73.6	173.4	148	0	0	108.2
345	E	33.8	Very low	31.5	Very low	174 Å²	174	143.1 Å²	143.1	81%	0.813	76%	0.759	S	S	*	*			trans	-121.8	105.5	151.2	-85.1	-177.7	174	0	0	106.8
346	T	30.2	Very low	31.4	Very low	122 Å²	122	144.1 Å²	144.1	75%	0.748	75%	0.754	S	S	*	*			trans	-59.4	137.9	154.3	34.7	0	0	0	0	110.6
347	D	32.9	Very low	31.3	Very low	136 Å²	136	148 Å²	148	73%	0.727	75%	0.754	S	S	*	*			trans	168.7	102.9	139	-85.8	-22.3	0	0	0	106.6
348	N	29.4	Very low	31.3	Very low	129 Å²	129	144 Å²	144	69%	0.69	74%	0.743	S	S	*	*				85.5	131.2	91.5	-80.4	-30.9	0	0	0	112.6
349	D	32.4	Very low	31.1	Very low	129 Å²	129	143.7 Å²	143.7	69%	0.69	74%	0.742	S	S	*	*			trans	84.2	109.6	148.7	-54.6	-18.9	0	0	0	119.7
350	D	33.1	Very low	31.1	Very low	130 Å²	130	143.4 Å²	143.4	70%	0.695	75%	0.745	S	S	*	*				89.2	126.5	119.8	-72	-16.7	0	0	0	120.5
351	D	33.8	Very low	30.8	Very low	122 Å²	122	143.8 Å²	143.8	65%	0.652	74%	0.74	S	S	*	*			trans	72.3	103.7	133.5	-71.8	-27.1	0	0	0	117
352	N	29.9	Very low	30.8	Very low	131 Å²	131	144.6 Å²	144.6	70%	0.701	74%	0.744	S	S	*	*				88.6	149.6	89	-96.8	-38.8	0	0	0	111.3
353	D	32.4	Very low	30.3	Very low	125 Å²	125	145.1 Å²	145.1	67%	0.668	74%	0.735	S	S	*	*			trans	76.7	100.5	161.3	-60.7	-32.6	0	0	0	116.1
354	N	27.9	Very low	30.1	Very low	139 Å²	139	148.6 Å²	148.6	74%	0.743	74%	0.743	S	S	*	*				85.8	153.7	83.5	-82.7	-41.2	0	0	0	112.1
355	V	33	Very low	30.1	Very low	134 Å²	134	142.8 Å²	142.8	81%	0.812	73%	0.734	S	S	*	*			trans	89.5	77	160.6	-159.5	0	0	0	0	115.2
356	E	26.8	Very low	29.8	Very low	157 Å²	157	139.4 Å²	139.4	73%	0.734	73%	0.729	S	S	*	*				7.8	148.5	113.3	-137.2	176.2	-151.5	0	0	117.3
357	F	25.9	Very low	29.7	Very low	146 Å²	146	142.8 Å²	142.8	64%	0.64	73%	0.734	S	S	*	*			trans	94.5	131.6	153	-92.1	-79.6	0	0	0	121.7
358	F	28.5	Very low	29.5	Very low	157 Å²	157	143.6 Å²	143.6	69%	0.689	74%	0.737	S	S	*	*			trans	96.5	104.2	145.6	-71.5	-59.1	0	0	0	120.6
359	N	26.9	Very low	29.4	Very low	132 Å²	132	141.3 Å²	141.3	71%	0.706	73%	0.731	S	S	*	*				48.6	115.7	118.5	-76.2	-12.7	0	0	0	117.8
360	T	33.2	Very low	29.1	Very low	133 Å²	133	143.9 Å²	143.9	82%	0.816	74%	0.739	S	S	*	*				-158.5	94.6	123	9	0	0	0	0	111.6
361	R	25.3	Very low	28.8	Very low	215 Å²	215	141.8 Å²	141.8	81%	0.811	74%	0.735	S	S	*	*			trans	-66.9	121.3	155.5	-171.9	-174.2	-159.3	-156.9	6	107.5
362	L	31.5	Very low	28.5	Very low	160 Å²	160	141.7 Å²	141.7	84%	0.838	73%	0.734	S	S	*	*			trans	-124.9	98.9	165.1	-96.2	156.7	0	0	0	109.3
363	M	26.8	Very low	28.5	Very low	128 Å²	128	142.6 Å²	142.6	63%	0.631	73%	0.734	S	S	*	*			trans	-76.5	180	161.4	-70.5	-158.1	90.9	0	0	110.8
364	Y	27.2	Very low	28.5	Very low	232 Å²	232	142.1 Å²	142.1	91%	0.91	73%	0.73	S	S	*	*			trans	99.3	124.5	169	-63	-80.3	0	0	0	113.6
365	G	30.6	Very low	28.5	Very low	68 Å²	68	140.7 Å²	140.7	70%	0.701	72%	0.723	S	S	*	*			cis	-173.6	-167.4	7.3	0	0	0	0	0	107.6
366	S	27.7	Very low	28.4	Very low	102 Å²	102	141.3 Å²	141.3	71%	0.713	71%	0.714	S	S	*	*			cis	176.8	129.1	-17.6	40.4	0	0	0	0	105.4
367	K	27.9	Very low	28.6	Very low	194 Å²	194	139.7 Å²	139.7	84%	0.843	71%	0.711	S	S	*	*			trans	67.7	154.6	147.5	-60.5	178.7	177.1	-179.4	0	120.1
368	L	29.4	Very low	29	Very low	153 Å²	153	139.4 Å²	139.4	80%	0.801	72%	0.716	S	S	*	*			trans	93.1	96	165.1	-72.8	104	0	0	0	115.8
369	S	26.5	Very low	29.1	Very low	81 Å²	81	137 Å²	137	57%	0.566	71%	0.714	S	S	*	*				65.3	125.7	63.1	78.4	0	0	0	0	113.1
370	Q	27	Very low	29.4	Very low	183 Å²	183	141.4 Å²	141.4	86%	0.855	72%	0.72	S	S	*	*			trans	67.2	140.9	158	-65.4	171.9	-4.4	0	0	113.2
371	S	26.7	Very low	29.3	Very low	85 Å²	85	139.1 Å²	139.1	59%	0.594	71%	0.71	S	S	*	*			cis	176.9	156.7	4	48.2	0	0	0	0	102.7
372	N	28	Very low	29.3	Very low	121 Å²	121	140.3 Å²	140.3	65%	0.647	72%	0.716	S	S	*	*			trans	69.1	133.4	139.2	-74	-14.3	0	0	0	118
373	H	29.6	Very low	29.4	Very low	150 Å²	150	135.8 Å²	135.8	69%	0.694	71%	0.708	S	S	*	*			trans	81	130.7	137.4	-69.2	-19.7	0	0	0	114
374	I	31.3	Very low	29.7	Very low	115 Å²	115	138.7 Å²	138.7	59%	0.59	72%	0.721	S	S	*	*			cis	178.5	166.1	3	-124.7	165.8	0	0	0	103.1
375	N	29	Very low	30	Very low	109 Å²	109	133.2 Å²	133.2	58%	0.583	72%	0.716	S	S	*	*			trans	80.7	138.3	154.7	-75.7	-3.3	0	0	0	118.8
376	K	31.3	Very low	30.3	Very low	147 Å²	147	135.2 Å²	135.2	64%	0.639	72%	0.716	S	S	*	*			cis	-179.6	147.2	-12	-121.9	172.7	-163.3	141.6	0	102.6
377	N	30.9	Very low	30.4	Very low	122 Å²	122	135.4 Å²	135.4	65%	0.652	72%	0.718	S	S	*	*			trans	63.4	105.1	139.3	-58.6	-7.5	0	0	0	116.4
378	N	33.2	Very low	30.7	Very low	141 Å²	141	132.2 Å²	132.2	75%	0.754	71%	0.714	S	S	*	*				173.2	117	93.1	-94.2	-20.6	0	0	0	109.6
379	V	31	Very low	30.9	Very low	107 Å²	107	130.3 Å²	130.3	65%	0.648	71%	0.711	S	S	*	*				74.8	112.8	87.8	171.3	0	0	0	0	109.3
380	R	32.4	Very low	30.9	Very low	223 Å²	223	131 Å²	131	84%	0.842	72%	0.716	S	S	*	*				-170.1	123.5	70.4	-125.4	143.9	-168.1	-126.1	2	107.5
381	S	31	Very low	31.2	Very low	86 Å²	86	127.5 Å²	127.5	60%	0.601	71%	0.712	S	S	*	*				73.5	108.8	80.8	-62.4	0	0	0	0	113.1
382	Y	26	Very low	31.2	Very low	239 Å²	239	130.7 Å²	130.7	94%	0.937	72%	0.721	S	S	*	*				75.2	129	95.7	-70.6	-71.5	0	0	0	113.7
383	G	33.8	Very low	31.4	Very low	65 Å²	65	129.7 Å²	129.7	67%	0.67	72%	0.721	S	S	*	*			trans	158.4	71.2	173.3	0	0	0	0	0	109.3
384	E	33.8	Very low	31.2	Very low	190 Å²	190	127.3 Å²	127.3	89%	0.888	72%	0.721	S	S	*	*				91.6	98	90.7	-86.8	179.4	153.8	0	0	112.2
385	S	31.9	Very low	31.2	Very low	116 Å²	116	128.9 Å²	128.9	81%	0.811	73%	0.73	S	S	*	*			trans	-65.5	141.3	150.8	42.8	0	0	0	0	111
386	P	36.8	Very low	31.1	Very low	110 Å²	110	129 Å²	129	71%	0.714	74%	0.735	S	S	*	*			trans	-127.5	116.8	142.3	32.7	-18.5	0	0	0	108.9
387	S	31.7	Very low	31.3	Very low	106 Å²	106	130.2 Å²	130.2	74%	0.741	74%	0.743	S	S	*	*				98.4	121	78.8	68.6	0	0	0	0	112.4
388	V	33.5	Very low	31.2	Very low	127 Å²	127	134.1 Å²	134.1	77%	0.77	75%	0.748	S	S	*	*			trans	-61.4	156.9	175.8	-175	0	0	0	0	111.8
389	P	32.7	Very low	31	Very low	113 Å²	113	133.9 Å²	133.9	73%	0.734	74%	0.743	S	S	*	*				-136.7	129	107.9	31.6	-16.4	0	0	0	110.8
390	S	27.1	Very low	31.3	Very low	96 Å²	96	135.5 Å²	135.5	67%	0.671	75%	0.753	S	S	*	*				59.1	98.2	69.5	74.7	0	0	0	0	114.8
391	S	33.3	Very low	31.3	Very low	110 Å²	110	130.6 Å²	130.6	77%	0.769	74%	0.743	S	S	*	*			trans	162.8	103.8	151.9	50.4	0	0	0	0	108.7
392	I	26.9	Very low	31.2	Very low	151 Å²	151	133.7 Å²	133.7	77%	0.774	75%	0.748	S	S	*	*				33.4	113.8	72.9	-53.6	178.5	0	0	0	111.7
393	P	32.7	Very low	31.2	Very low	101 Å²	101	132 Å²	132	66%	0.656	74%	0.74	S	S	*	*				-140.5	129.8	82	29.9	-9.6	0	0	0	113.4	L395	P393-L395 HydrophobicContact CB-CD1 4.49Å
394	S	25.5	Very low	31	Very low	99 Å²	99	135 Å²	135	69%	0.692	74%	0.74	S	S	*	*				29.8	92.2	80.2	70.1	0	0	0	0	115.1
395	L	30.3	Very low	30.7	Very low	148 Å²	148	131.7 Å²	131.7	78%	0.775	73%	0.729	S	S	*	*			trans	-167.8	107	149.8	-90.7	129.3	0	0	0	105.6	P393	P393-L395 HydrophobicContact CB-CD1 4.49Å
396	T	27.8	Very low	30.7	Very low	112 Å²	112	135.9 Å²	135.9	69%	0.687	73%	0.728	S	S	*	*				52.3	113.4	96.1	60.9	0	0	0	0	110.2
397	E	36.2	Very low	30.3	Very low	173 Å²	173	141.3 Å²	141.3	81%	0.808	73%	0.734	S	S	*	*				-166.5	126.1	64.1	-80.7	171.1	151.8	0	0	105.9
398	R	28.3	Very low	30.1	Very low	203 Å²	203	146.9 Å²	146.9	77%	0.766	74%	0.739	S	S	*	*				66.7	111.8	80.5	-156.5	-179.3	-169.5	158.4	8.3	111.7
399	E	29.1	Very low	30	Very low	137 Å²	137	147.1 Å²	147.1	64%	0.64	74%	0.74	S	S	*	*			trans	57.3	87.1	146.4	-64.7	162.8	174.2	0	0	117.1
400	T	35.9	Very low	29.8	Very low	140 Å²	140	147.7 Å²	147.7	86%	0.859	74%	0.737	S	S	*	*			trans	-127.1	82	140.3	45.3	0	0	0	0	107.1
401	N	32.3	Very low	30.1	Very low	121 Å²	121	151.1 Å²	151.1	65%	0.647	75%	0.747	S	S	*	*				62.5	92.9	96.8	-68.6	-19	0	0	0	110.2
402	E	29.1	Very low	29.8	Very low	151 Å²	151	150.4 Å²	150.4	71%	0.706	75%	0.748	S	S	*	*				65.1	108.5	86.1	-77.2	-160.9	137.5	0	0	111.9
403	R	26.9	Very low	30.1	Very low	203 Å²	203	149.2 Å²	149.2	77%	0.766	75%	0.75	S	S	*	*				78.2	144.3	118	-146.8	177.9	-174.1	168.4	-0.6	116
404	L	30.1	Very low	30.2	Very low	128 Å²	128	149.6 Å²	149.6	67%	0.67	76%	0.755	S	S	*	*			trans	99.7	107.6	159.9	-54.6	161	0	0	0	115.5
405	D	27.9	Very low	30.6	Very low	120 Å²	120	154.5 Å²	154.5	64%	0.642	76%	0.764	S	S	*	*				65.2	133.4	128	-58.1	-34	0	0	0	116.3
406	Y	30.2	Very low	30.5	Very low	204 Å²	204	152.1 Å²	152.1	80%	0.8	76%	0.76	S	S	*	*				-163.5	130.3	71.9	-84.5	-79	0	0	0	111.3
407	R	30.1	Very low	30.7	Very low	225 Å²	225	154.9 Å²	154.9	85%	0.849	77%	0.769	S	S	*	*				65.5	104.5	128	-122.9	172.7	-168	-174.1	2.2	119.2
408	R	25.7	Very low	30.5	Very low	223 Å²	223	153.5 Å²	153.5	84%	0.842	77%	0.765	S	S	*	*			trans	-57.8	138.5	150.3	-65.3	179.8	178	-161.3	-2	110.7
409	V	33.2	Very low	30.7	Very low	131 Å²	131	153.3 Å²	153.3	79%	0.794	77%	0.773	S	S	*	*			trans	-126.3	101.4	151.7	-175.7	0	0	0	0	107.3
410	N	27.2	Very low	30.9	Very low	125 Å²	125	156 Å²	156	67%	0.668	78%	0.782	S	S	*	*			trans	-73.4	143	159.3	-71	-31.5	0	0	0	107.7
411	L	32.7	Very low	30.7	Very low	169 Å²	169	157.9 Å²	157.9	89%	0.885	78%	0.782	S	S	*	*			trans	176.9	91.9	138.7	-92.2	144.4	0	0	0	111.3
412	A	27.8	Very low	30.6	Very low	94 Å²	94	158.8 Å²	158.8	78%	0.777	79%	0.792	S	S	*	*			trans	54.2	151.6	134.2	0	0	0	0	0	124.2
413	P	34.1	Very low	30.5	Very low	126 Å²	126	156.8 Å²	156.8	82%	0.818	80%	0.795	S	S	*	*			trans	-106.5	162.1	-170.9	40.8	-30.5	0	0	0	114.9
414	S	33.1	Very low	30.6	Very low	110 Å²	110	157.1 Å²	157.1	77%	0.769	80%	0.802	S	S	*	*			trans	-175.6	148.2	159.8	60.8	0	0	0	0	107.2
415	K	34.3	Very low	30.7	Very low	201 Å²	201	156.2 Å²	156.2	87%	0.874	81%	0.806	S	S	*	*			cis	-166.3	154.8	12.9	-117.3	163.3	-176.9	-179.3	0	107.4
416	S	28	Very low	31	Very low	98 Å²	98	156.4 Å²	156.4	69%	0.685	81%	0.814	S	S	*	*			trans	-66.6	152.8	-179.7	51	0	0	0	0	116.3
417	I	33.3	Very low	30.8	Very low	171 Å²	171	156.7 Å²	156.7	88%	0.877	82%	0.815	S	S	*	*			trans	-135.3	123	146.8	-60.3	-179.8	0	0	0	109.1
418	I	30.5	Very low	31.1	Very low	144 Å²	144	150.6 Å²	150.6	74%	0.738	80%	0.8	S	S	*	*			trans	-85.7	134.7	175.9	-68.2	163.8	0	0	0	108.6
419	Q	33.5	Very low	31.5	Very low	198 Å²	198	144 Å²	144	93%	0.925	79%	0.785	S	S	*	*			trans	-127.8	118.2	158.9	-127.6	173.5	4.1	0	0	108.8
420	K	32.3	Very low	31.5	Very low	193 Å²	193	146.8 Å²	146.8	84%	0.839	78%	0.783	S	S	*	*			trans	-71.4	135.5	177.3	-75.1	174.3	171.6	177.9	0	110.4
421	Q	32	Very low	32	Very low	181 Å²	181	146.1 Å²	146.1	85%	0.846	78%	0.783	S	S	*	*			trans	-162.2	113.5	142.8	-114.8	169	-1.9	0	0	112
422	T	31.7	Very low	32	Very low	140 Å²	140	149.2 Å²	149.2	86%	0.859	78%	0.783	S	S	*	*			trans	54.4	131.2	148.1	46.4	0	0	0	0	122.3
423	S	26.7	Very low	32.2	Very low	109 Å²	109	153.2 Å²	153.2	76%	0.762	79%	0.788	S	S	*	*			trans	-79.4	138.2	-170.9	48	0	0	0	0	115.8
424	F	29.2	Very low	32.1	Very low	209 Å²	209	154.3 Å²	154.3	92%	0.917	79%	0.787	S	S	*	*			trans	-130.8	123.6	149.2	-88.1	-86.1	0	0	0	108.3
425	S	31.4	Very low	32	Very low	110 Å²	110	156 Å²	156	77%	0.769	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-84.3	131.7	179.4	63.5	0	0	0	0	111.1
426	P	34.2	Very low	31.8	Very low	123 Å²	123	157.6 Å²	157.6	80%	0.799	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-77.8	126.7	167.2	-1.6	19.2	0	0	0	109.9	N428	P426-N428 PolarHBondContact O-N 3.08Å
427	Y	26.9	Very low	31.9	Very low	211 Å²	211	161.7 Å²	161.7	83%	0.827	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-58.4	124.3	171.6	-175.4	-99.3	0	0	0	110.5	P429	Y427-P429 HydrophobicContact CE1-CB 4.06Å
428	N	34.9	Very low	31.6	Very low	97 Å²	97	162.3 Å²	162.3	52%	0.519	80%	0.797	S	S	.	*			trans	-119.1	103.5	174.3	-169.8	-7.5	0	0	0	110	P426 Y430 T431	P426-N428 PolarHBondContact O-N 3.08Å; N428-Y430 PolarHBondContact O-N 2.84Å; N428-Y430 VanDerWaalsContact O-N 3.13Å; N428-T431 PolarHBondContact O-OG1 2.89Å; N428-T431 VanDerWaalsContact O-OG1 3.11Å
429	P	34.7	Very low	31.5	Very low	83 Å²	83	160.1 Å²	160.1	54%	0.539	80%	0.795	S	S	.	*	G	3₁₀ helix	trans	-69.1	-8.9	-171	25.8	-32.2	0	0	0	114.8	Y427	Y427-P429 HydrophobicContact CE1-CB 4.06Å
430	Y	33.3	Very low	31.3	Very low	190 Å²	190	159.1 Å²	159.1	75%	0.745	80%	0.795	S	S	*	*	G	3₁₀ helix	trans	-91.5	1.4	-173.8	-66.3	-76.9	0	0	0	115.5	N428	N428-Y430 PolarHBondContact O-N 2.84Å; N428-Y430 VanDerWaalsContact O-N 3.13Å
431	T	36.7	Very low	30.9	Very low	111 Å²	111	160 Å²	160	68%	0.681	79%	0.794	S	S	*	*	G	3₁₀ helix	trans	-95.6	-3	-172.1	42.2	0	0	0	0	115.6	N428	N428-T431 PolarHBondContact O-OG1 2.89Å; N428-T431 VanDerWaalsContact O-OG1 3.11Å
432	R	33.1	Very low	30.9	Very low	235 Å²	235	158.8 Å²	158.8	89%	0.887	79%	0.792	S	S	*	*	S	Bend	trans	-108.7	-5.6	-180	-85.4	-166	-176.9	-171	2.6	116.7
433	M	32.7	Very low	30.8	Very low	177 Å²	177	156.1 Å²	156.1	87%	0.872	78%	0.777	S	S	*	*	S	Bend	trans	-87.7	-5.5	-175	-110.8	169.4	170.5	0	0	115.5	N435	M433-N435 PolarHBondContact O-N 3.19Å
434	N	31.7	Very low	30.9	Very low	149 Å²	149	160.6 Å²	160.6	80%	0.797	79%	0.786	S	S	*	*	S	Bend	trans	-91.6	21	-175.1	-73.4	-8.4	0	0	0	115.4
435	N	32	Very low	30.9	Very low	147 Å²	147	158.5 Å²	158.5	79%	0.786	78%	0.779	S	S	*	*			trans	-119.7	24.9	-173.3	-86.4	2.2	0	0	0	116	M433	M433-N435 PolarHBondContact O-N 3.19Å
436	Y	29.4	Very low	30.6	Very low	234 Å²	234	162.3 Å²	162.3	92%	0.918	79%	0.785	S	S	*	*			trans	-119.4	111.3	164.4	-74.5	-77.5	0	0	0	111.4
437	Q	28.9	Very low	30.3	Very low	183 Å²	183	163 Å²	163	86%	0.855	79%	0.786	S	S	*	*			trans	-80.9	158.2	167.6	-123.3	166.3	-40	0	0	109.2
438	E	28.7	Very low	30.1	Very low	185 Å²	185	161 Å²	161	86%	0.864	79%	0.787	S	S	*	*			trans	78.6	135.8	172.9	-64.4	174.4	150.9	0	0	115.9
439	S	26.9	Very low	29.7	Very low	98 Å²	98	167.3 Å²	167.3	69%	0.685	81%	0.805	S	S	*	*			cis	-178.2	126.1	-1.1	44.4	0	0	0	0	106.7
440	L	29.9	Very low	29.1	Very low	176 Å²	176	172.2 Å²	172.2	92%	0.921	82%	0.821	S	S	*	*			trans	163.2	83.3	144.3	-94.9	142.7	0	0	0	109.9
441	Y	24.3	Very low	28.9	Very low	212 Å²	212	172.1 Å²	172.1	83%	0.831	83%	0.829	S	S	*	*			trans	-93.2	139.2	153.5	-165.4	-91.6	0	0	0	106.6
442	I	30.8	Very low	28.5	Very low	156 Å²	156	171.1 Å²	171.1	80%	0.8	83%	0.827	S	S	*	*			trans	160.8	139.9	158.9	-85.4	157.3	0	0	0	108.1
443	P	29.5	Very low	28.1	Very low	84 Å²	84	166.5 Å²	166.5	55%	0.545	83%	0.825	S	S	.	*				-123.3	173.5	-96.3	17.3	9.4	0	0	0	113	Q445	P443-Q445 PolarHBondContact O-N 3.27Å
444	E	29.6	Very low	28	Very low	203 Å²	203	165.9 Å²	165.9	95%	0.949	82%	0.82	S	S	*	*			trans	-56.8	98.2	165.9	-70.4	176.2	151.8	0	0	110.6
445	Q	29	Very low	27.7	Very low	165 Å²	165	168 Å²	168	77%	0.771	83%	0.825	S	S	*	*			trans	-124.7	106.7	167.3	-81.2	-169.6	-11.5	0	0	110.4	P443	P443-Q445 PolarHBondContact O-N 3.27Å
446	Q	25.4	Very low	27.5	Very low	190 Å²	190	169.6 Å²	169.6	89%	0.888	82%	0.821	S	S	*	*			trans	10.8	109.4	144.3	-69.5	171.5	-15.1	0	0	117.2
447	T	27.8	Very low	27.5	Very low	136 Å²	136	163.1 Å²	163.1	83%	0.834	81%	0.808	S	S	*	*			trans	-132.2	84.1	145	52.9	0	0	0	0	109.4
448	M	23.6	Very low	27.4	Very low	169 Å²	169	160.4 Å²	160.4	83%	0.833	81%	0.806	S	S	*	*			trans	-61.7	135.1	143.9	-89.6	-156.5	-69.1	0	0	106.9
449	Y	24.9	Very low	27.7	Very low	231 Å²	231	159.5 Å²	159.5	91%	0.906	80%	0.802	S	S	*	*			trans	-161.1	124.3	133.9	-90.6	-66.1	0	0	0	110.4
450	E	24.1	Very low	28	Very low	185 Å²	185	162.1 Å²	162.1	86%	0.864	80%	0.804	S	S	*	*			trans	-50.6	139	162.5	-69.8	167.3	118	0	0	111.1
451	M	28.9	Very low	28.1	Very low	188 Å²	188	162.8 Å²	162.8	93%	0.926	80%	0.802	S	S	*	*			trans	-139.4	91.2	153	-107.9	170	-168	0	0	110.8
452	S	26.7	Very low	28.7	Very low	91 Å²	91	161 Å²	161	64%	0.636	80%	0.798	S	S	*	*			trans	-1.4	127.6	138.7	41.4	0	0	0	0	118	Q454	S452-Q454 PolarHBondContact O-N 2.87Å
453	T	26	Very low	29	Very low	138 Å²	138	160.7 Å²	160.7	85%	0.847	79%	0.791	S	S	*	*			trans	-7.9	114.1	141.9	48.8	0	0	0	0	116.2
454	Q	29.4	Very low	29	Very low	164 Å²	164	168.5 Å²	168.5	77%	0.766	81%	0.81	S	S	*	*			trans	-132.8	122.8	149.6	-75.3	-165.8	2.3	0	0	110.9	S452	S452-Q454 PolarHBondContact O-N 2.87Å
455	Q	26.2	Very low	29.2	Very low	193 Å²	193	164.8 Å²	164.8	90%	0.902	80%	0.802	S	S	*	*			trans	-59.6	138.3	174.2	-69.6	157	-68.2	0	0	111
456	Y	27.4	Very low	29.2	Very low	180 Å²	180	168.4 Å²	168.4	71%	0.706	81%	0.808	S	S	*	*			trans	-126.2	147.6	157.9	-84.4	-83.4	0	0	0	110.8	Y503	Y456-Y503 PolarHBondContact OH-OH 3.26Å
457	P	30.1	Very low	29.6	Very low	98 Å²	98	168.7 Å²	168.7	64%	0.636	81%	0.807	S	S	*	*			trans	-92.5	160.8	-139.5	36	-37.5	0	0	0	114.6
458	P	26.8	Very low	29.7	Very low	126 Å²	126	168.4 Å²	168.4	82%	0.818	80%	0.8	S	S	*	*			trans	-86.1	116.5	-177.4	33.4	-28.6	0	0	0	110.5
459	Q	35.1	Very low	30.1	Very low	166 Å²	166	168.4 Å²	168.4	78%	0.776	80%	0.798	S	S	*	*			trans	-141.6	110.6	170.4	-75	-167	-9.9	0	0	114.3
460	Q	32.4	Very low	30.5	Very low	154 Å²	154	163.1 Å²	163.1	72%	0.72	79%	0.789	S	S	*	*			trans	71.1	80.3	137.6	-58.5	-173.8	6.7	0	0	119.5	K462	Q460-K462 PolarHBondContact O-N 3.49Å; Q460-K462 VanDerWaalsContact O-N 3.17Å
461	E	32.8	Very low	30.8	Very low	189 Å²	189	160.9 Å²	160.9	88%	0.883	78%	0.783	S	S	*	*			trans	-65.6	101.6	148.3	-74.7	-178	167.5	0	0	110	K463	E461-K463 PolarHBondContact O-N 2.6Å
462	K	37	Very low	30.8	Very low	174 Å²	174	158.5 Å²	158.5	76%	0.757	77%	0.774	S	S	*	*			trans	-81.7	101.8	162.5	-86.7	-178.6	177.6	175.1	0	109.2	Q460 W464	Q460-K462 PolarHBondContact O-N 3.49Å; Q460-K462 VanDerWaalsContact O-N 3.17Å; K462-W464 PolarHBondContact O-N 3.5Å
463	K	35.5	Very low	31	Very low	151 Å²	151	162.6 Å²	162.6	66%	0.657	78%	0.783	S	S	*	*			trans	-58.7	122.9	167.1	-77	-177.3	171	-173.2	0	110.1	D187 E461	D187-K463 IonicContact OD2-NZ 3.88Å; D187-K463 PolarHBondContact OD2-NZ 2.83Å; E461-K463 PolarHBondContact O-N 2.6Å
464	W	29.6	Very low	31.2	Very low	247 Å²	247	164.5 Å²	164.5	94%	0.936	78%	0.78	S	S	*	*			trans	-81.6	114	165.5	-78.7	65.8	0	0	0	109.2	K462	K462-W464 PolarHBondContact O-N 3.5Å
465	T	34.4	Very low	31.3	Very low	126 Å²	126	163.1 Å²	163.1	77%	0.773	79%	0.785	S	S	*	*			trans	-93.7	116.5	169.9	37.4	0	0	0	0	109.4	K467	T465-K467 PolarHBondContact O-N 3.07Å
466	R	30.1	Very low	31.5	Very low	240 Å²	240	162.8 Å²	162.8	91%	0.906	78%	0.781	S	S	*	*			trans	-77.3	102.5	170.7	-166.1	178.5	-167.2	177.9	3.7	108.1
467	K	33.7	Very low	31.5	Very low	197 Å²	197	163.3 Å²	163.3	86%	0.857	79%	0.79	S	S	*	*			trans	-96	124.3	162.7	-97.1	-174.3	175.9	-178.5	0	108.6	T465	T465-K467 PolarHBondContact O-N 3.07Å
468	D	29.3	Very low	31.4	Very low	130 Å²	130	166.5 Å²	166.5	70%	0.695	80%	0.796	S	S	*	*			trans	-53	138.2	166.4	-58.5	-53.3	0	0	0	110.6
469	H	32.2	Very low	31.5	Very low	169 Å²	169	167.4 Å²	167.4	78%	0.782	79%	0.794	S	S	*	*			trans	172.6	109.5	131.2	-82.3	-23	0	0	0	110.6
470	T	32.7	Very low	31.3	Very low	120 Å²	120	166.2 Å²	166.2	74%	0.736	79%	0.788	S	S	*	*				42.3	131	129.5	51.2	0	0	0	0	120.1
471	N	31.1	Very low	31.1	Very low	138 Å²	138	166.9 Å²	166.9	74%	0.738	80%	0.796	S	S	*	*			trans	90.5	100.4	158.3	-66.3	-19	0	0	0	118.1
472	N	28.8	Very low	30.8	Very low	138 Å²	138	167.3 Å²	167.3	74%	0.738	79%	0.791	S	S	*	*				62.1	115.6	126.1	-73.3	-14.6	0	0	0	118.6
473	Q	30.2	Very low	30.3	Very low	176 Å²	176	162.3 Å²	162.3	82%	0.822	79%	0.789	S	S	*	*			trans	97.8	107.2	149.1	-61.2	171.7	1.6	0	0	117.2
474	K	29.5	Very low	29.9	Very low	179 Å²	179	160.4 Å²	160.4	78%	0.778	80%	0.795	S	S	*	*			trans	79.2	103.2	159.5	-58.9	178.3	179.4	179.5	0	117.5
475	P	31.8	Very low	29.7	Very low	135 Å²	135	160.1 Å²	160.1	88%	0.877	80%	0.795	S	S	*	*			trans	-81.3	125.5	152.9	31.6	-23.5	0	0	0	109
476	F	30.8	Very low	29.5	Very low	186 Å²	186	159.2 Å²	159.2	82%	0.816	79%	0.79	S	S	*	*			trans	-59.9	149.9	178.3	-78.5	-110.6	0	0	0	112.4	H478	F476-H478 PolarHBondContact O-N 3.46Å; F476-H478 VanDerWaalsContact O-N 3.13Å
477	Q	27.4	Very low	29.4	Very low	191 Å²	191	151.4 Å²	151.4	89%	0.893	78%	0.776	S	S	*	*			trans	-48.6	112.1	160.8	-79.9	169.6	-40.5	0	0	109.8	N479	Q477-N479 PolarHBondContact O-N 3.44Å
478	H	28.5	Very low	29.2	Very low	164 Å²	164	148.8 Å²	148.8	76%	0.759	77%	0.767	S	S	*	*			trans	-85.9	103.9	163.9	-112.6	-81	0	0	0	107.8	F476 E480	F476-H478 PolarHBondContact O-N 3.46Å; F476-H478 VanDerWaalsContact O-N 3.13Å; H478-E480 VanDerWaalsContact C-N 3.28Å; H478-E480 PolarHBondContact O-N 3.11Å
479	N	28.9	Very low	29.2	Very low	145 Å²	145	147.7 Å²	147.7	78%	0.775	76%	0.759	S	S	*	*			trans	-67.7	92.5	158.8	-86.7	-6.4	0	0	0	107.3	Q477 L481	Q477-N479 PolarHBondContact O-N 3.44Å; N479-L481 PolarHBondContact O-N 3.12Å; N479-L481 VanDerWaalsContact O-N 3.13Å
480	E	29.6	Very low	29.2	Very low	141 Å²	141	144 Å²	144	66%	0.659	74%	0.744	S	S	*	*			trans	-72.8	95.4	162.3	-71.8	-175.8	168.9	0	0	108	H478 Y482	H478-E480 VanDerWaalsContact C-N 3.28Å; H478-E480 PolarHBondContact O-N 3.11Å; E480-Y482 HydrophobicContact CB-CD2 4.22Å; E480-Y482 PolarHBondContact O-N 3.49Å
481	L	29.2	Very low	29.1	Very low	168 Å²	168	148.6 Å²	148.6	88%	0.88	75%	0.748	S	S	*	*			trans	-67.4	85.6	160.6	-100.8	128.6	0	0	0	107.7	N479 G483	N479-L481 PolarHBondContact O-N 3.12Å; N479-L481 VanDerWaalsContact O-N 3.13Å; L481-G483 PolarHBondContact O-N 3.45Å
482	Y	25.9	Very low	29.4	Very low	198 Å²	198	150.4 Å²	150.4	78%	0.776	75%	0.752	S	S	*	*			trans	-62.6	126.4	162.3	-103.5	-93.5	0	0	0	109.7	E480	E480-Y482 HydrophobicContact CB-CD2 4.22Å; E480-Y482 PolarHBondContact O-N 3.49Å
483	G	26.2	Very low	29.7	Very low	70 Å²	70	147.7 Å²	147.7	72%	0.722	74%	0.738	S	S	*	*			trans	50.2	102.8	131.2	0	0	0	0	0	118.3	L481	L481-G483 PolarHBondContact O-N 3.45Å
484	S	28.1	Very low	29.9	Very low	110 Å²	110	143.8 Å²	143.8	77%	0.769	73%	0.728	S	S	*	*			trans	-134.6	62.8	155.4	63.5	0	0	0	0	110.2
485	Y	24.8	Very low	30.3	Very low	242 Å²	242	140 Å²	140	95%	0.949	72%	0.724	S	S	*	*			trans	-101.8	78.6	152	-79.8	-81.9	0	0	0	106.9	A487	Y485-A487 PolarHBondContact O-N 3.05Å
486	T	30.2	Very low	30.3	Very low	107 Å²	107	136 Å²	136	66%	0.656	70%	0.699	S	S	*	*			trans	-84.5	92.8	166.7	45.6	0	0	0	0	107.5	H488	T486-H488 PolarHBondContact O-N 2.84Å
487	A	28.8	Very low	30.2	Very low	75 Å²	75	135.8 Å²	135.8	62%	0.62	69%	0.693	S	S	*	*			trans	-73.4	106.7	163.4	0	0	0	0	0	107.3	Y485 M489	Y485-A487 PolarHBondContact O-N 3.05Å; A487-M489 PolarHBondContact O-N 3.33Å
488	H	29.1	Very low	30.4	Very low	143 Å²	143	134.9 Å²	134.9	66%	0.662	69%	0.687	S	S	*	*			trans	-77.1	116.7	172.3	-71.5	-63.6	0	0	0	108.9	T486 N490 D566	T486-H488 PolarHBondContact O-N 2.84Å; H488-N490 PolarHBondContact O-N 3.32Å; H488-D566 IonicContact ND1-OD2 2.72Å
489	M	29.9	Very low	30.6	Very low	106 Å²	106	132.9 Å²	132.9	52%	0.522	69%	0.688	S	S	.	*			trans	-67.7	122.6	167.4	-113.8	-179.1	178.3	0	0	108.1	A487 R491 W497	A487-M489 PolarHBondContact O-N 3.33Å; M489-R491 PolarHBondContact O-N 3.31Å; M489-R491 VanDerWaalsContact O-N 3.08Å; M489-W497 HydrophobicContact CE-CZ2 4.29Å
490	N	31.4	Very low	30.6	Very low	91 Å²	91	133 Å²	133	49%	0.487	69%	0.687	S	S	.	*			trans	-69.5	107.2	167.3	-168.3	-7.5	0	0	0	108.1	H488 E492 N493	H488-N490 PolarHBondContact O-N 3.32Å; N490-E492 PolarHBondContact O-N 3Å; N490-E492 PolarHBondContact OD1-N 2.94Å; N490-N493 PolarHBondContact O-N 2.94Å; N490-N493 VanDerWaalsContact O-N 3.12Å
491	R	31.2	Very low	30.7	Very low	217 Å²	217	131 Å²	131	82%	0.819	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.2	-21.3	-178.1	-158.2	177.9	-174.3	171.2	4.4	112.5	M489 E563	M489-R491 PolarHBondContact O-N 3.31Å; M489-R491 VanDerWaalsContact O-N 3.08Å; R491-E563 IonicContact NH1-OE1 3.14Å
492	E	36.4	Very low	30.7	Very low	176 Å²	176	130.2 Å²	130.2	82%	0.822	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	-15.4	-176.5	-61.5	-176	172.4	0	0	114.1	N490	N490-E492 PolarHBondContact O-N 3Å; N490-E492 PolarHBondContact OD1-N 2.94Å
493	N	36.1	Very low	30.6	Very low	81 Å²	81	128.7 Å²	128.7	43%	0.433	68%	0.677	S	S	.	*			trans	-154.4	84.2	179.4	-151.4	-12	0	0	0	113.5	N490 S495 S496	N490-N493 PolarHBondContact O-N 2.94Å; N490-N493 VanDerWaalsContact O-N 3.12Å; N493-S495 PolarHBondContact O-N 3.45Å; N493-S495 PolarHBondContact OD1-OG 3.44Å; N493-S496 PolarHBondContact O-N 3.27Å; N493-S496 PolarHBondContact O-OG 3.47Å
494	P	34.9	Very low	30.7	Very low	95 Å²	95	134.2 Å²	134.2	62%	0.617	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.3	-8.8	-176	24.3	-32.7	0	0	0	114.3
495	S	36.3	Very low	30.7	Very low	100 Å²	100	133.6 Å²	133.6	70%	0.699	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-10.2	179.4	67.7	0	0	0	0	114.7	N493	N493-S495 PolarHBondContact O-N 3.45Å; N493-S495 PolarHBondContact OD1-OG 3.44Å
496	S	31.7	Very low	30.7	Very low	50 Å²	50	129.2 Å²	129.2	35%	0.35	67%	0.673	S	S	.	*			trans	-104.4	66	-173.6	61.2	0	0	0	0	113.2	N493 F498	N493-S496 PolarHBondContact O-N 3.27Å; N493-S496 PolarHBondContact O-OG 3.47Å; S496-F498 PolarHBondContact O-N 3.03Å
497	W	30.3	Very low	30.7	Very low	181 Å²	181	130 Å²	130	69%	0.686	67%	0.673	S	S	*	*			trans	-81.2	96.7	170.4	-88.3	65.8	0	0	0	110.3	M489	M489-W497 HydrophobicContact CE-CZ2 4.29Å
498	F	30.7	Very low	30.8	Very low	172 Å²	172	134.1 Å²	134.1	75%	0.754	69%	0.685	S	S	*	*			trans	-115.7	118.8	169.2	-76.5	-81.5	0	0	0	110.8	S496 I500	S496-F498 PolarHBondContact O-N 3.03Å; F498-I500 PolarHBondContact O-N 3.47Å
499	P	33.3	Very low	30.9	Very low	123 Å²	123	134.5 Å²	134.5	80%	0.799	69%	0.692	S	S	*	*			trans	-70.9	116.9	165	27.5	-28.8	0	0	0	108.7	P501	P499-P501 VanDerWaalsContact O-CD 3.31Å; P499-P501 WeakPolarHBondContact O-CD 3.39Å
500	I	29	Very low	30.8	Very low	147 Å²	147	133.8 Å²	133.8	75%	0.754	70%	0.695	S	S	*	*			trans	-78.7	116.5	168.7	-58.9	173.2	0	0	0	107.3	F498 N502	F498-I500 PolarHBondContact O-N 3.47Å; I500-N502 PolarHBondContact O-N 3.32Å
501	P	31	Very low	30.6	Very low	98 Å²	98	136.6 Å²	136.6	64%	0.636	71%	0.709	S	S	*	*			trans	-74.4	106.6	170.9	28.3	-28.7	0	0	0	108.6	P499 Y503	P499-P501 VanDerWaalsContact O-CD 3.31Å; P499-P501 WeakPolarHBondContact O-CD 3.39Å; P501-Y503 HydrophobicContact CB-CD2 4.33Å; P501-Y503 HydrophobicContact CB-CE2 4.28Å; P501-Y503 PolarHBondContact O-N 3.39Å
502	N	28.2	Very low	30.6	Very low	153 Å²	153	132.7 Å²	132.7	82%	0.818	71%	0.705	S	S	*	*			trans	-75.5	91.7	172.1	-141.5	13.4	0	0	0	108.6	I500	I500-N502 PolarHBondContact O-N 3.32Å
503	Y	25.3	Very low	30.4	Very low	166 Å²	166	132.2 Å²	132.2	65%	0.651	71%	0.708	S	S	*	*			trans	-78.2	141.9	157.3	-78.3	-84.8	0	0	0	108.4	Y456 P501	Y456-Y503 PolarHBondContact OH-OH 3.26Å; P501-Y503 HydrophobicContact CB-CD2 4.33Å; P501-Y503 HydrophobicContact CB-CE2 4.28Å; P501-Y503 PolarHBondContact O-N 3.39Å
504	Q	26.9	Very low	30	Very low	185 Å²	185	138.7 Å²	138.7	86%	0.864	73%	0.726	S	S	*	*			trans	89.1	130.4	176.6	-58.7	179.1	-43	0	0	114.7
505	S	28.5	Very low	29.7	Very low	97 Å²	97	140.3 Å²	140.3	68%	0.678	74%	0.737	S	S	*	*			cis	-160.3	127.6	3	-176.2	0	0	0	0	106.7	N507	S505-N507 PolarHBondContact O-N 2.83Å
506	N	26.3	Very low	29.3	Very low	151 Å²	151	139.2 Å²	139.2	81%	0.807	73%	0.726	S	S	*	*			trans	-49.7	133	151.4	-95.6	-22.4	0	0	0	107.6
507	N	28.6	Very low	29.1	Very low	123 Å²	123	147.5 Å²	147.5	66%	0.658	75%	0.751	S	S	*	*			trans	-153	87.3	147.9	-101.9	-9	0	0	0	108.8	S505 N509	S505-N507 PolarHBondContact O-N 2.83Å; N507-N509 VanDerWaalsContact C-N 3.32Å; N507-N509 PolarHBondContact O-N 2.94Å
508	N	32.3	Very low	29.1	Very low	162 Å²	162	142.5 Å²	142.5	87%	0.866	74%	0.743	S	S	*	*	S	Bend	trans	-59.4	107.3	131.7	-72.3	-29.5	0	0	0	106.3
509	N	30	Very low	28.9	Very low	150 Å²	150	141.6 Å²	141.6	80%	0.802	74%	0.741	S	S	*	*			trans	-8.9	130.6	177.4	-79.5	-19.6	0	0	0	117.4	N507	N507-N509 VanDerWaalsContact C-N 3.32Å; N507-N509 PolarHBondContact O-N 2.94Å
510	P	28.6	Very low	28.6	Very low	91 Å²	91	143.5 Å²	143.5	59%	0.591	74%	0.74	S	S	*	*				-145.4	148.4	103.8	33.8	-16.7	0	0	0	113.7
511	L	27.3	Very low	28.7	Very low	151 Å²	151	141.7 Å²	141.7	79%	0.791	74%	0.74	S	S	*	*			trans	-49.9	152	158.3	-82.9	80.3	0	0	0	109.4
512	D	30.3	Very low	28.7	Very low	135 Å²	135	145.6 Å²	145.6	72%	0.722	75%	0.75	S	S	*	*			trans	79.4	93.7	173	-51.1	-32.9	0	0	0	115.8
513	N	32.4	Very low	28.7	Very low	165 Å²	165	146.3 Å²	146.3	88%	0.882	75%	0.752	S	S	*	*				169.2	107.5	120	-80.4	-35.3	0	0	0	111.2
514	R	27.5	Very low	28.8	Very low	217 Å²	217	143 Å²	143	82%	0.819	75%	0.75	S	S	*	*			trans	-92.6	147.6	176.2	-157.2	176.4	-171	-154	6.1	109	V516	R514-V516 VanDerWaalsContact CD-CG2 3.44Å; R514-V516 HydrophobicContact CG-CG2 3.86Å; R514-V516 VanDerWaalsContact NH1-CG2 3.34Å
515	P	29.7	Very low	29	Very low	130 Å²	130	142.4 Å²	142.4	84%	0.844	75%	0.748	S	S	*	*			trans	-114.4	122.5	137.3	-1.9	21.5	0	0	0	110.2
516	V	27.6	Very low	29	Very low	77 Å²	77	145 Å²	145	47%	0.467	75%	0.749	S	S	.	*			trans	-82.8	136.8	173.8	175	0	0	0	0	109.2	R514	R514-V516 VanDerWaalsContact CD-CG2 3.44Å; R514-V516 HydrophobicContact CG-CG2 3.86Å; R514-V516 VanDerWaalsContact NH1-CG2 3.34Å
517	Y	27.3	Very low	29.1	Very low	224 Å²	224	145.3 Å²	145.3	88%	0.878	75%	0.745	S	S	*	*			trans	-151	96.3	137.2	-88	-80.6	0	0	0	105.5
518	S	29.4	Very low	29.1	Very low	75 Å²	75	147 Å²	147	52%	0.524	75%	0.749	S	S	.	*				51.1	128.1	92.2	65.1	0	0	0	0	112.1
519	Q	27.9	Very low	28.8	Very low	153 Å²	153	145.3 Å²	145.3	72%	0.715	75%	0.747	S	S	*	*			cis	-177.9	153.9	27.4	-121.9	164.4	9.7	0	0	108.1
520	Q	27	Very low	28.9	Very low	164 Å²	164	143.5 Å²	143.5	77%	0.766	75%	0.746	S	S	*	*			trans	66.2	129.2	148	-74.4	157.2	-34.5	0	0	117.9
521	S	31.8	Very low	28.9	Very low	109 Å²	109	143.5 Å²	143.5	76%	0.762	75%	0.754	S	S	*	*			cis	-163.9	118.5	28.8	41.1	0	0	0	0	108.3
522	E	29.7	Very low	28.8	Very low	179 Å²	179	141.1 Å²	141.1	84%	0.836	75%	0.75	S	S	*	*				65.9	94.6	82.9	-132.2	178.1	-158.7	0	0	115.3
523	I	28.8	Very low	28.7	Very low	168 Å²	168	142.4 Å²	142.4	86%	0.862	76%	0.756	S	S	*	*			trans	-145.1	116	139.5	-55.7	-176.2	0	0	0	107.9
524	P	27.1	Very low	28.3	Very low	96 Å²	96	140.3 Å²	140.3	62%	0.623	75%	0.745	S	S	*	*			trans	-113.9	136.9	178.9	35.9	-24	0	0	0	113.3
525	H	31.4	Very low	28.2	Very low	174 Å²	174	135.6 Å²	135.6	81%	0.806	75%	0.745	S	S	*	*			trans	-154.4	107.7	151.8	-77.9	-63.6	0	0	0	108.2
526	Q	28.2	Very low	28	Very low	152 Å²	152	138.7 Å²	138.7	71%	0.71	74%	0.741	S	S	*	*				89.9	125.5	78.7	-121.2	177.2	-3.5	0	0	113.7
527	H	28.8	Very low	27.9	Very low	157 Å²	157	139 Å²	139	73%	0.727	75%	0.747	S	S	*	*			trans	85.1	133.1	170.6	-55.4	-71.6	0	0	0	117
528	Q	27.8	Very low	27.8	Very low	157 Å²	157	139 Å²	139	73%	0.734	75%	0.747	S	S	*	*			cis	179.4	132.2	-16	-154	167.1	-16.7	0	0	103
529	P	26.6	Very low	27.8	Very low	128 Å²	128	145.1 Å²	145.1	83%	0.831	76%	0.76	S	S	*	*			trans	-91.8	129.4	-179.8	32.6	-27.2	0	0	0	110.8
530	S	31.8	Very low	27.8	Very low	111 Å²	111	141.6 Å²	141.6	78%	0.776	77%	0.765	S	S	*	*			trans	-156.1	108.6	164.2	14.7	0	0	0	0	112
531	A	28	Very low	27.9	Very low	91 Å²	91	140.5 Å²	140.5	75%	0.752	76%	0.764	S	S	*	*			trans	36.5	122.7	138.1	0	0	0	0	0	121.1
532	S	26.7	Very low	27.7	Very low	101 Å²	101	139.9 Å²	139.9	71%	0.706	76%	0.76	S	S	*	*			trans	64.1	115	130.9	71.1	0	0	0	0	118.9
533	L	26.6	Very low	27.7	Very low	162 Å²	162	137.7 Å²	137.7	85%	0.848	75%	0.754	S	S	*	*				-174.3	147	101.7	-121.3	84.2	0	0	0	110.9
534	N	24.7	Very low	28	Very low	122 Å²	122	137.1 Å²	137.1	65%	0.652	75%	0.748	S	S	*	*			trans	-48.9	155.7	177	-61.2	-38.6	0	0	0	115.3	Y536	N534-Y536 HydrophobicContact CB-CD2 3.96Å; N534-Y536 HydrophobicContact CB-CE2 4.22Å
535	S	25.9	Very low	28.1	Very low	117 Å²	117	139.3 Å²	139.3	82%	0.818	75%	0.754	S	S	*	*				-164.1	100	126.5	-75.1	0	0	0	0	108.1
536	Y	25.7	Very low	28.2	Very low	195 Å²	195	136.8 Å²	136.8	77%	0.765	75%	0.751	S	S	*	*				74.8	129.8	83.2	-93.4	-85.4	0	0	0	115.3	N534	N534-Y536 HydrophobicContact CB-CD2 3.96Å; N534-Y536 HydrophobicContact CB-CE2 4.22Å
537	S	25	Very low	28.4	Very low	84 Å²	84	136.5 Å²	136.5	59%	0.587	75%	0.754	S	S	*	*			trans	-35.5	144.5	165.7	60.8	0	0	0	0	114.9
538	Y	25.4	Very low	28.7	Very low	223 Å²	223	134.3 Å²	134.3	88%	0.875	76%	0.757	S	S	*	*			trans	-124.5	96.2	148.8	-116.3	-93.5	0	0	0	109.8
539	Y	29	Very low	29.1	Very low	204 Å²	204	134.1 Å²	134.1	80%	0.8	76%	0.761	S	S	*	*			trans	-52.8	129.8	148.3	-99	-100.1	0	0	0	108	N541	Y539-N541 VanDerWaalsContact C-N 3.28Å; Y539-N541 PolarHBondContact O-N 3.33Å
540	G	27.4	Very low	29.5	Very low	80 Å²	80	135.7 Å²	135.7	83%	0.825	76%	0.762	S	S	*	*	S	Bend	trans	-66.2	91.8	161.7	0	0	0	0	0	109.2
541	N	30.6	Very low	29.8	Very low	141 Å²	141	136.1 Å²	136.1	75%	0.754	76%	0.756	S	S	*	*			trans	-138.3	128.5	156	-111.2	-5.2	0	0	0	108	Y539	Y539-N541 VanDerWaalsContact C-N 3.28Å; Y539-N541 PolarHBondContact O-N 3.33Å
542	S	26.4	Very low	30.2	Very low	96 Å²	96	139 Å²	139	67%	0.671	76%	0.758	S	S	*	*			trans	-55.7	132.5	-177.9	54.3	0	0	0	0	112.8
543	N	29.9	Very low	30.6	Very low	132 Å²	132	139.8 Å²	139.8	71%	0.706	76%	0.755	S	S	*	*				175	130.7	112.1	-91.9	-22.8	0	0	0	113.5
544	Q	35	Very low	31	Very low	157 Å²	157	142.1 Å²	142.1	73%	0.734	76%	0.758	S	S	*	*			trans	71.4	116.7	138.8	-64.6	-180	-5	0	0	119.9
545	N	28.9	Very low	31.4	Very low	142 Å²	142	147 Å²	147	76%	0.759	77%	0.767	S	S	*	*			trans	56	128.3	134.7	-60	-8	0	0	0	116.5
546	T	33.9	Very low	31.7	Very low	121 Å²	121	149.3 Å²	149.3	74%	0.742	77%	0.77	S	S	*	*			cis	-173.9	136.7	49.2	-23	0	0	0	0	107.9
547	D	31.7	Very low	32.1	Very low	146 Å²	146	145 Å²	145	78%	0.781	77%	0.766	S	S	*	*			trans	6.9	126.6	150.5	-53.7	-33.1	0	0	0	119.6
548	S	36.6	Very low	32.3	Very low	111 Å²	111	147.6 Å²	147.6	78%	0.776	77%	0.773	S	S	*	*				179	106.6	108.7	40.1	0	0	0	0	112.1
549	N	36.4	Very low	32.5	Very low	152 Å²	152	142.2 Å²	142.2	81%	0.813	77%	0.768	S	S	*	*			trans	25.2	111	135.6	-62.5	-14.5	0	0	0	118.3
550	N	34.3	Very low	32.5	Very low	162 Å²	162	141.8 Å²	141.8	87%	0.866	77%	0.766	S	S	*	*				-159.1	115.4	105.2	-133.1	-10.2	0	0	0	111.5
551	D	37.6	Very low	32.8	Very low	119 Å²	119	146.4 Å²	146.4	64%	0.636	76%	0.764	S	S	*	*			trans	-58.4	141	167.5	-74.3	-56.6	0	0	0	111.5
552	N	36.1	Very low	33.5	Very low	151 Å²	151	145.2 Å²	145.2	81%	0.807	76%	0.764	S	S	*	*				-176.5	84.3	121.1	-89.1	-35.4	0	0	0	111.2
553	N	35.7	Very low	34	Very low	118 Å²	118	148 Å²	148	63%	0.631	77%	0.766	S	S	*	*				24	109.2	129.8	-72.4	-45.8	0	0	0	118.3
554	K	34.9	Very low	34.9	Very low	211 Å²	211	146.1 Å²	146.1	92%	0.917	76%	0.755	S	S	*	*				-142.3	107.3	123.1	-100.9	178.8	-174.9	179.5	0	108.7	N556	K554-N556 PolarHBondContact O-N 2.89Å
555	R	33.7	Very low	36.1	Very low	226 Å²	226	141.2 Å²	141.2	85%	0.853	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-59.2	119.9	-180	-72.2	172.4	174.8	173	-3.9	110.9
556	N	31	Very low	37	Very low	164 Å²	164	139.4 Å²	139.4	88%	0.877	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-78.4	120	154.5	-94.7	-10.6	0	0	0	108.2	K554	K554-N556 PolarHBondContact O-N 2.89Å
557	P	34.8	Very low	37.9	Very low	105 Å²	105	140 Å²	140	68%	0.682	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-85.4	127.6	171.7	5.2	13.6	0	0	0	110.4
558	L	28.8	Very low	39.1	Very low	138 Å²	138	138.3 Å²	138.3	72%	0.723	71%	0.713	S	S	*	*			trans	61.2	81.6	156	-65.6	106	0	0	0	118.5	Y560	L558-Y560 HydrophobicContact CD2-CD2 3.86Å; L558-Y560 HydrophobicContact CD2-CE2 4.46Å; L558-Y560 HydrophobicContact CG-CD2 4.28Å
559	S	29.4	Very low	40	Very low	110 Å²	110	136.4 Å²	136.4	77%	0.769	69%	0.694	S	S	*	*			trans	-94.2	85.6	146	-177.2	0	0	0	0	107.5
560	Y	29.2	Very low	41	Very low	195 Å²	195	132.4 Å²	132.4	77%	0.765	68%	0.678	S	S	*	*			trans	-100.9	0.2	177.5	-110.4	-84.9	0	0	0	113.2	L558	L558-Y560 HydrophobicContact CD2-CD2 3.86Å; L558-Y560 HydrophobicContact CD2-CE2 4.46Å; L558-Y560 HydrophobicContact CG-CD2 4.28Å
561	F	34.2	Very low	42.1	Very low	178 Å²	178	129.6 Å²	129.6	78%	0.781	66%	0.659	S	S	*	*	S	Bend	trans	-110	119.2	171.5	-72.6	-81.8	0	0	0	108.4	E563	F561-E563 PolarHBondContact O-N 2.87Å; F561-E563 VanDerWaalsContact O-N 3.14Å
562	P	45.2	Very low	43.3	Very low	115 Å²	115	128 Å²	128	75%	0.747	65%	0.651	S	S	*	*			trans	-57.6	121.8	166.7	23.3	-28.8	0	0	0	107.4	I564	P562-I564 PolarHBondContact O-N 3.37Å
563	E	37.3	Very low	44.7	Very low	154 Å²	154	124 Å²	124	72%	0.72	63%	0.628	S	S	*	*			trans	-57.5	114.8	176.4	-75.1	-174.8	147.8	0	0	108.5	R491 F561 S565	R491-E563 IonicContact NH1-OE1 3.14Å; F561-E563 PolarHBondContact O-N 2.87Å; F561-E563 VanDerWaalsContact O-N 3.14Å; E563-S565 PolarHBondContact O-N 3.27Å
564	I	47.4	Very low	46.1	Very low	93 Å²	93	124.5 Å²	124.5	48%	0.477	62%	0.622	S	S	.	*			trans	-65.9	123.5	173.8	-62.9	173.4	0	0	0	106.4	P562 Q568 L569 L572	P562-I564 PolarHBondContact O-N 3.37Å; I564-Q568 HydrophobicContact CG2-CB 3.47Å; I564-Q568 VanDerWaalsContact CG2-CB 3.47Å; I564-L569 HydrophobicContact CG2-CB 4.05Å; I564-L572 HydrophobicContact CD1-CD1 4.41Å; I564-L572 HydrophobicContact CG2-CD1 4.37Å
565	S	60.9	Low	47.6	Very low	55 Å²	55	119.2 Å²	119.2	39%	0.385	60%	0.601	S	S	.	*			trans	-61.3	148.3	176.1	57.5	0	0	0	0	110.9	E563 I567 Q568 L569	E563-S565 PolarHBondContact O-N 3.27Å; S565-I567 PolarHBondContact O-N 2.91Å; S565-Q568 WeakPolarHBondContact O-CA 3.26Å; S565-Q568 WeakPolarHBondContact O-CB 3.47Å; S565-Q568 PolarHBondContact O-N 2.98Å; S565-Q568 VanDerWaalsContact OG-CG 3.27Å; S565-Q568 WeakPolarHBondContact OG-CG 3.41Å; S565-Q568 PolarHBondContact OG-N 3.24Å; S565-Q568 PolarHBondContact OG-OE1 3.42Å; S565-L569 PolarHBondContact O-N 2.87Å
566	D	47.1	Very low	48.8	Very low	104 Å²	104	115.4 Å²	115.4	56%	0.556	59%	0.588	S	S	*	*	H	α-helix	trans	-51.7	-31.7	178.6	-70.2	-11.4	0	0	0	112.7	H488 S570	H488-D566 IonicContact ND1-OD2 2.72Å; D566-S570 WeakPolarHBondContact O-CB 3.41Å; D566-S570 PolarHBondContact O-N 2.86Å; D566-S570 PolarHBondContact O-OG 3.42Å
567	I	52.8	Low	50.5	Low	134 Å²	134	112.7 Å²	112.7	69%	0.687	57%	0.569	S	S	*	*	H	α-helix	trans	-68.7	-43.7	175.9	-63.2	165.8	0	0	0	111.2	S565 S570 H571	S565-I567 PolarHBondContact O-N 2.91Å; I567-S570 WeakPolarHBondContact CA-OG 3.19Å; I567-S570 PolarHBondContact O-OG 3.22Å; I567-H571 VanDerWaalsContact O-CB 3.32Å; I567-H571 WeakPolarHBondContact O-CB 3.26Å; I567-H571 PolarHBondContact O-N 3.47Å
568	Q	57	Low	51.5	Low	110 Å²	110	110.7 Å²	110.7	51%	0.514	55%	0.552	S	S	.	*	H	α-helix	trans	-68.3	-38.3	175.5	-75.5	172	-27.7	0	0	111.5	I564 S565 H571 L572	I564-Q568 HydrophobicContact CG2-CB 3.47Å; I564-Q568 VanDerWaalsContact CG2-CB 3.47Å; S565-Q568 WeakPolarHBondContact O-CA 3.26Å; S565-Q568 WeakPolarHBondContact O-CB 3.47Å; S565-Q568 PolarHBondContact O-N 2.98Å; S565-Q568 VanDerWaalsContact OG-CG 3.27Å; S565-Q568 WeakPolarHBondContact OG-CG 3.41Å; S565-Q568 PolarHBondContact OG-N 3.24Å; S565-Q568 PolarHBondContact OG-OE1 3.42Å; Q568-H571 PolarHBondContact O-N 2.66Å; Q568-L572 WeakPolarHBondContact O-CB 3.39Å; Q568-L572 WeakPolarHBondContact O-CG 3.24Å; Q568-L572 PolarHBondContact O-N 2.86Å
569	L	55.9	Low	52.7	Low	71 Å²	71	106.6 Å²	106.6	37%	0.372	53%	0.529	S	S	.	.	H	α-helix	trans	-65.5	-46.2	177	-177.5	63.8	0	0	0	111.3	I564 S565 H571 L572 I573	I564-L569 HydrophobicContact CG2-CB 4.05Å; S565-L569 PolarHBondContact O-N 2.87Å; L569-H571 VanDerWaalsContact C-N 3.31Å; L569-H571 PolarHBondContact O-N 3.39Å; L569-L572 PolarHBondContact O-N 3.31Å; L569-I573 HydrophobicContact CD1-CD1 4.29Å; L569-I573 HydrophobicContact CD1-CG1 4.5Å; L569-I573 HydrophobicContact CG-CD1 3.97Å; L569-I573 VanDerWaalsContact O-CG1 3.28Å; L569-I573 WeakPolarHBondContact O-CG1 3.41Å; L569-I573 PolarHBondContact O-N 2.83Å
570	S	58.1	Low	54.4	Low	67 Å²	67	104 Å²	104	47%	0.469	51%	0.506	S	S	.	.	H	α-helix	trans	-63	-37.6	176	54	0	0	0	0	112.3	D566 I567 I573 Y574	D566-S570 WeakPolarHBondContact O-CB 3.41Å; D566-S570 PolarHBondContact O-N 2.86Å; D566-S570 PolarHBondContact O-OG 3.42Å; I567-S570 WeakPolarHBondContact CA-OG 3.19Å; I567-S570 PolarHBondContact O-OG 3.22Å; S570-I573 PolarHBondContact O-N 2.9Å; S570-Y574 WeakPolarHBondContact O-CB 3.35Å; S570-Y574 PolarHBondContact O-N 3.17Å
571	H	57.3	Low	55.7	Low	104 Å²	104	98.9 Å²	98.9	48%	0.481	49%	0.492	S	S	.	.	H	α-helix	trans	-65.5	-41.9	173.7	-168.3	-87.5	0	0	0	112.3	I567 Q568 L569 Y574 Q575	I567-H571 VanDerWaalsContact O-CB 3.32Å; I567-H571 WeakPolarHBondContact O-CB 3.26Å; I567-H571 PolarHBondContact O-N 3.47Å; Q568-H571 PolarHBondContact O-N 2.66Å; L569-H571 VanDerWaalsContact C-N 3.31Å; L569-H571 PolarHBondContact O-N 3.39Å; H571-Y574 PolarHBondContact O-N 3.38Å; H571-Q575 PolarHBondContact CE1-NE2 3.4Å; H571-Q575 VanDerWaalsContact CE1-NE2 3.28Å; H571-Q575 WeakPolarHBondContact O-CB 3.49Å; H571-Q575 WeakPolarHBondContact O-CG 3.41Å; H571-Q575 PolarHBondContact O-N 3.48Å
572	L	63.6	Low	56.7	Low	86 Å²	86	96.3 Å²	96.3	45%	0.45	48%	0.477	S	S	.	.	H	α-helix	trans	-63.5	-43.7	174.8	-85	159.4	0	0	0	111.8	I564 Q568 L569 Y574 Q575 Y576	I564-L572 HydrophobicContact CD1-CD1 4.41Å; I564-L572 HydrophobicContact CG2-CD1 4.37Å; Q568-L572 WeakPolarHBondContact O-CB 3.39Å; Q568-L572 WeakPolarHBondContact O-CG 3.24Å; Q568-L572 PolarHBondContact O-N 2.86Å; L569-L572 PolarHBondContact O-N 3.31Å; L572-Y574 VanDerWaalsContact C-N 3.35Å; L572-Q575 PolarHBondContact O-N 3.47Å; L572-Y576 VanDerWaalsContact O-CB 3.28Å; L572-Y576 WeakPolarHBondContact O-CB 3.31Å; L572-Y576 PolarHBondContact O-N 2.83Å
573	I	65.5	Low	57	Low	66 Å²	66	96.7 Å²	96.7	34%	0.338	46%	0.463	S	S	.	.	H	α-helix	trans	-62.6	-43.4	175.3	-68.5	167	0	0	0	110.3	L569 S570 Y576 Q577	L569-I573 HydrophobicContact CD1-CD1 4.29Å; L569-I573 HydrophobicContact CD1-CG1 4.5Å; L569-I573 HydrophobicContact CG-CD1 3.97Å; L569-I573 VanDerWaalsContact O-CG1 3.28Å; L569-I573 WeakPolarHBondContact O-CG1 3.41Å; L569-I573 PolarHBondContact O-N 2.83Å; S570-I573 PolarHBondContact O-N 2.9Å; I573-Y576 PolarHBondContact O-N 3.24Å; I573-Q577 HydrophobicContact CG2-CG 4.35Å; I573-Q577 WeakPolarHBondContact O-CB 3.34Å; I573-Q577 VanDerWaalsContact O-CG 3.28Å; I573-Q577 WeakPolarHBondContact O-CG 3.33Å; I573-Q577 PolarHBondContact O-N 3.04Å
574	Y	63.6	Low	57.8	Low	128 Å²	128	96.9 Å²	96.9	50%	0.502	46%	0.464	S	S	.	.	H	α-helix	trans	-63.5	-45.5	177.6	-178.4	-100.7	0	0	0	111.8	S570 H571 L572 Y576 Q577 M578	S570-Y574 WeakPolarHBondContact O-CB 3.35Å; S570-Y574 PolarHBondContact O-N 3.17Å; H571-Y574 PolarHBondContact O-N 3.38Å; L572-Y574 VanDerWaalsContact C-N 3.35Å; Y574-Y576 VanDerWaalsContact C-N 3.32Å; Y574-Y576 PolarHBondContact O-N 3.42Å; Y574-Q577 PolarHBondContact O-N 3.06Å; Y574-M578 HydrophobicContact CD1-CG 4.22Å; Y574-M578 HydrophobicContact CE1-CG 3.8Å; Y574-M578 HydrophobicContact CE2-CG 4.23Å; Y574-M578 HydrophobicContact CE2-SD 4.43Å; Y574-M578 WeakPolarHBondContact O-CB 3.44Å; Y574-M578 WeakPolarHBondContact O-CG 3.25Å; Y574-M578 PolarHBondContact O-N 2.97Å
575	Q	67.4	Low	58.2	Low	101 Å²	101	96.3 Å²	96.3	47%	0.472	47%	0.465	S	S	.	.	H	α-helix	trans	-59.2	-43.9	173.7	-77.9	-176.5	-33	0	0	111.6	H571 L572 M578 E579	H571-Q575 PolarHBondContact CE1-NE2 3.4Å; H571-Q575 VanDerWaalsContact CE1-NE2 3.28Å; H571-Q575 WeakPolarHBondContact O-CB 3.49Å; H571-Q575 WeakPolarHBondContact O-CG 3.41Å; H571-Q575 PolarHBondContact O-N 3.48Å; L572-Q575 PolarHBondContact O-N 3.47Å; Q575-M578 PolarHBondContact O-N 3.2Å; Q575-E579 VanDerWaalsContact O-CB 3.3Å; Q575-E579 WeakPolarHBondContact O-CB 3.25Å; Q575-E579 PolarHBondContact O-N 3.19Å
576	Y	58.7	Low	57.4	Low	146 Å²	146	97.1 Å²	97.1	57%	0.573	48%	0.482	S	S	*	.	H	α-helix	trans	-63.3	-43.2	177.4	-176.2	-108.2	0	0	0	112	L572 I573 Y574 E579 L580	L572-Y576 VanDerWaalsContact O-CB 3.28Å; L572-Y576 WeakPolarHBondContact O-CB 3.31Å; L572-Y576 PolarHBondContact O-N 2.83Å; I573-Y576 PolarHBondContact O-N 3.24Å; Y574-Y576 VanDerWaalsContact C-N 3.32Å; Y574-Y576 PolarHBondContact O-N 3.42Å; Y576-E579 PolarHBondContact O-N 3.19Å; Y576-L580 HydrophobicContact CD1-CD1 3.76Å; Y576-L580 HydrophobicContact CD1-CG 4.33Å; Y576-L580 HydrophobicContact CE1-CD1 3.4Å; Y576-L580 HydrophobicContact CE1-CG 4.03Å; Y576-L580 WeakPolarHBondContact O-CB 3.5Å; Y576-L580 WeakPolarHBondContact O-CG 3.18Å; Y576-L580 PolarHBondContact O-N 3.35Å
577	Q	67.1	Low	57.1	Low	106 Å²	106	102.1 Å²	102.1	50%	0.495	49%	0.493	S	S	.	.	H	α-helix	trans	-64	-42.1	175.6	-74.8	176.7	-3.2	0	0	112.2	I573 Y574 E579 L580 L581	I573-Q577 HydrophobicContact CG2-CG 4.35Å; I573-Q577 WeakPolarHBondContact O-CB 3.34Å; I573-Q577 VanDerWaalsContact O-CG 3.28Å; I573-Q577 WeakPolarHBondContact O-CG 3.33Å; I573-Q577 PolarHBondContact O-N 3.04Å; Y574-Q577 PolarHBondContact O-N 3.06Å; Q577-E579 VanDerWaalsContact C-N 3.31Å; Q577-E579 PolarHBondContact O-N 3.38Å; Q577-L580 PolarHBondContact O-N 2.92Å; Q577-L581 WeakPolarHBondContact O-CB 3.45Å; Q577-L581 WeakPolarHBondContact O-CD1 3.4Å; Q577-L581 PolarHBondContact O-N 3.11Å
578	M	55.5	Low	56.7	Low	64 Å²	64	101.5 Å²	101.5	32%	0.315	49%	0.491	S	S	.	.	H	α-helix	trans	-65.1	-37.1	175.7	-72.7	-57.1	-60.7	0	0	111.7	Y574 Q575 L581 R582	Y574-M578 HydrophobicContact CD1-CG 4.22Å; Y574-M578 HydrophobicContact CE1-CG 3.8Å; Y574-M578 HydrophobicContact CE2-CG 4.23Å; Y574-M578 HydrophobicContact CE2-SD 4.43Å; Y574-M578 WeakPolarHBondContact O-CB 3.44Å; Y574-M578 WeakPolarHBondContact O-CG 3.25Å; Y574-M578 PolarHBondContact O-N 2.97Å; Q575-M578 PolarHBondContact O-N 3.2Å; M578-L581 WeakPolarHBondContact O-CB 3.35Å; M578-L581 PolarHBondContact O-N 2.89Å; M578-L581 HydrophobicContact SD-CD1 4.18Å; M578-R582 WeakPolarHBondContact O-CB 3.5Å; M578-R582 PolarHBondContact O-N 3.47Å
579	E	53.4	Low	56	Low	51 Å²	51	100.4 Å²	100.4	24%	0.238	49%	0.493	C	S	.	.	H	α-helix	trans	-68.8	-39.2	175	-173.6	57.1	-152.5	0	0	111.7	Q575 Y576 Q577 R582 R583	Q575-E579 VanDerWaalsContact O-CB 3.3Å; Q575-E579 WeakPolarHBondContact O-CB 3.25Å; Q575-E579 PolarHBondContact O-N 3.19Å; Y576-E579 PolarHBondContact O-N 3.19Å; Q577-E579 VanDerWaalsContact C-N 3.31Å; Q577-E579 PolarHBondContact O-N 3.38Å; E579-R582 WeakPolarHBondContact O-CB 3.29Å; E579-R582 PolarHBondContact O-N 2.83Å; E579-R582 IonicContact OE1-CZ 2.92Å; E579-R582 VanDerWaalsContact OE1-CZ 3.29Å; E579-R582 IonicContact OE1-NE 3.51Å; E579-R582 PolarHBondContact OE1-NE 3.22Å; E579-R582 VanDerWaalsContact OE1-NE 3.14Å; E579-R582 IonicContact OE1-NH2 2.83Å; E579-R582 PolarHBondContact OE1-NH2 3.14Å; E579-R582 IonicContact OE2-CZ 3.63Å; E579-R582 VanDerWaalsContact OE2-CZ 3.26Å; E579-R582 IonicContact OE2-NE 3.65Å; E579-R582 PolarHBondContact OE2-NE 2.96Å; E579-R582 IonicContact OE2-NH2 3.84Å; E579-R582 PolarHBondContact OE2-NH2 3.01Å; E579-R583 WeakPolarHBondContact O-CB 3.17Å; E579-R583 VanDerWaalsContact O-CG 3.25Å; E579-R583 WeakPolarHBondContact O-CG 3.28Å; E579-R583 PolarHBondContact O-N 3.32Å; E579-R583 IonicContact OE1-NE 3.61Å; E579-R583 PolarHBondContact OE1-NE 3.5Å
580	L	64.6	Low	55.3	Low	56 Å²	56	103.9 Å²	103.9	29%	0.293	51%	0.512	S	S	.	.	H	α-helix	trans	-62.2	-43.8	171.1	-74.8	173.9	0	0	0	111.7	Y576 Q577 R582 R583 Q584	Y576-L580 HydrophobicContact CD1-CD1 3.76Å; Y576-L580 HydrophobicContact CD1-CG 4.33Å; Y576-L580 HydrophobicContact CE1-CD1 3.4Å; Y576-L580 HydrophobicContact CE1-CG 4.03Å; Y576-L580 WeakPolarHBondContact O-CB 3.5Å; Y576-L580 WeakPolarHBondContact O-CG 3.18Å; Y576-L580 PolarHBondContact O-N 3.35Å; Q577-L580 PolarHBondContact O-N 2.92Å; L580-R582 VanDerWaalsContact C-N 3.33Å; L580-R582 PolarHBondContact O-N 2.92Å; L580-R583 PolarHBondContact O-N 2.9Å; L580-Q584 WeakPolarHBondContact O-CB 3.46Å; L580-Q584 WeakPolarHBondContact O-CG 3.47Å; L580-Q584 PolarHBondContact O-N 3.15Å
581	L	57.8	Low	54.5	Low	88 Å²	88	105.6 Å²	105.6	46%	0.461	52%	0.52	S	S	.	.	H	α-helix	trans	-61.2	-41.7	174	-88.8	150.1	0	0	0	111.6	Q577 M578 Q584 T585	Q577-L581 WeakPolarHBondContact O-CB 3.45Å; Q577-L581 WeakPolarHBondContact O-CD1 3.4Å; Q577-L581 PolarHBondContact O-N 3.11Å; M578-L581 WeakPolarHBondContact O-CB 3.35Å; M578-L581 PolarHBondContact O-N 2.89Å; M578-L581 HydrophobicContact SD-CD1 4.18Å; L581-Q584 PolarHBondContact O-N 2.75Å; L581-T585 WeakPolarHBondContact O-CB 3.18Å; L581-T585 WeakPolarHBondContact O-CG2 3.31Å; L581-T585 PolarHBondContact O-N 2.89Å; L581-T585 PolarHBondContact O-OG1 3.41Å
582	R	54.6	Low	53.3	Low	124 Å²	124	107.1 Å²	107.1	47%	0.468	53%	0.531	S	S	.	.	H	α-helix	trans	-60.7	-45.1	175	-169.8	179.9	80.7	141.7	2.7	111.2	M578 E579 L580 G586	M578-R582 WeakPolarHBondContact O-CB 3.5Å; M578-R582 PolarHBondContact O-N 3.47Å; E579-R582 WeakPolarHBondContact O-CB 3.29Å; E579-R582 PolarHBondContact O-N 2.83Å; E579-R582 IonicContact OE1-CZ 2.92Å; E579-R582 VanDerWaalsContact OE1-CZ 3.29Å; E579-R582 IonicContact OE1-NE 3.51Å; E579-R582 PolarHBondContact OE1-NE 3.22Å; E579-R582 VanDerWaalsContact OE1-NE 3.14Å; E579-R582 IonicContact OE1-NH2 2.83Å; E579-R582 PolarHBondContact OE1-NH2 3.14Å; E579-R582 IonicContact OE2-CZ 3.63Å; E579-R582 VanDerWaalsContact OE2-CZ 3.26Å; E579-R582 IonicContact OE2-NE 3.65Å; E579-R582 PolarHBondContact OE2-NE 2.96Å; E579-R582 IonicContact OE2-NH2 3.84Å; E579-R582 PolarHBondContact OE2-NH2 3.01Å; L580-R582 VanDerWaalsContact C-N 3.33Å; L580-R582 PolarHBondContact O-N 2.92Å; R582-G586 PolarHBondContact O-N 3.16Å
583	R	52.1	Low	51.6	Low	122 Å²	122	112 Å²	112	46%	0.46	55%	0.545	S	S	.	.	H	α-helix	trans	-66.7	-40.1	178.3	-71.7	172.7	-177.6	-148.2	1	112.6	E579 L580	E579-R583 WeakPolarHBondContact O-CB 3.17Å; E579-R583 VanDerWaalsContact O-CG 3.25Å; E579-R583 WeakPolarHBondContact O-CG 3.28Å; E579-R583 PolarHBondContact O-N 3.32Å; E579-R583 IonicContact OE1-NE 3.61Å; E579-R583 PolarHBondContact OE1-NE 3.5Å; L580-R583 PolarHBondContact O-N 2.9Å
584	Q	54	Low	50	Low	158 Å²	158	117 Å²	117	74%	0.738	57%	0.567	S	S	*	*	H	α-helix	trans	-73.6	-37.6	-179.1	-76.6	-178.3	-8.4	0	0	113.5	L580 L581	L580-Q584 WeakPolarHBondContact O-CB 3.46Å; L580-Q584 WeakPolarHBondContact O-CG 3.47Å; L580-Q584 PolarHBondContact O-N 3.15Å; L581-Q584 PolarHBondContact O-N 2.75Å
585	T	55.7	Low	48.5	Very low	81 Å²	81	118.8 Å²	118.8	50%	0.497	58%	0.582	S	S	.	*	H	α-helix	trans	-88.7	-18.6	-172.6	56.1	0	0	0	0	113.5	L581 R587	L581-T585 WeakPolarHBondContact O-CB 3.18Å; L581-T585 WeakPolarHBondContact O-CG2 3.31Å; L581-T585 PolarHBondContact O-N 2.89Å; L581-T585 PolarHBondContact O-OG1 3.41Å; T585-R587 PolarHBondContact O-N 2.83Å
586	G	43.8	Very low	46.6	Very low	72 Å²	72	121.8 Å²	121.8	74%	0.742	60%	0.596	S	S	*	*			trans	57.8	5.3	177.2	0	0	0	0	0	114.8	R582	R582-G586 PolarHBondContact O-N 3.16Å
587	R	40.3	Very low	45.4	Very low	210 Å²	210	122.1 Å²	122.1	79%	0.792	60%	0.603	S	S	*	*	S	Bend	trans	-123.8	115.6	178.7	-81.6	-174.2	172.2	-176.6	-2.1	106.3	T585 P589	T585-R587 PolarHBondContact O-N 2.83Å; R587-P589 WeakPolarHBondContact O-CD 3.17Å
588	L	44	Very low	43.4	Very low	121 Å²	121	124.3 Å²	124.3	63%	0.634	62%	0.617	S	S	*	*			trans	-51.1	127	157.8	-94.9	79.3	0	0	0	107.1	D590	L588-D590 VanDerWaalsContact C-N 3.29Å; L588-D590 PolarHBondContact O-N 3.37Å
589	P	42.3	Very low	42.1	Very low	86 Å²	86	130.6 Å²	130.6	56%	0.558	64%	0.639	S	S	*	*			trans	-63.9	105.7	148.5	27.9	-26.1	0	0	0	105.1	R587 T591	R587-P589 WeakPolarHBondContact O-CD 3.17Å; P589-T591 PolarHBondContact O-N 3.02Å
590	D	42.8	Very low	41	Very low	144 Å²	144	138.8 Å²	138.8	77%	0.77	67%	0.669	S	S	*	*			trans	-61.7	23.8	173.3	-75	-32.1	0	0	0	113	L588 D592	L588-D590 VanDerWaalsContact C-N 3.29Å; L588-D590 PolarHBondContact O-N 3.37Å; D590-D592 PolarHBondContact O-N 3.41Å
591	T	41.2	Very low	39.2	Very low	103 Å²	103	142 Å²	142	63%	0.632	70%	0.697	S	S	*	*	S	Bend	trans	-88.2	89.9	169.6	41.9	0	0	0	0	108.5	P589 Y593	P589-T591 PolarHBondContact O-N 3.02Å; T591-Y593 PolarHBondContact O-N 3.02Å; T591-Y593 VanDerWaalsContact O-N 3.14Å
592	D	30.7	Very low	37.8	Very low	136 Å²	136	146.3 Å²	146.3	73%	0.727	71%	0.714	S	S	*	*			trans	33	71.6	143.8	-59.6	-33.4	0	0	0	115.7	D590 Q594	D590-D592 PolarHBondContact O-N 3.41Å; D592-Q594 PolarHBondContact O-N 2.91Å
593	Y	29.8	Very low	36.7	Very low	190 Å²	190	146.3 Å²	146.3	75%	0.745	73%	0.73	S	S	*	*			trans	-75.3	55.2	150.4	-93	-91	0	0	0	109.4	T591	T591-Y593 PolarHBondContact O-N 3.02Å; T591-Y593 VanDerWaalsContact O-N 3.14Å
594	Q	31.3	Very low	35.6	Very low	169 Å²	169	147.1 Å²	147.1	79%	0.79	75%	0.749	S	S	*	*			trans	-112	53.4	153.3	-74.1	-169	-15.9	0	0	107.2	D592 E596	D592-Q594 PolarHBondContact O-N 2.91Å; Q594-E596 VanDerWaalsContact C-N 3.33Å; Q594-E596 PolarHBondContact O-N 3.45Å
595	M	32.6	Very low	34.5	Very low	167 Å²	167	148.9 Å²	148.9	82%	0.823	76%	0.757	S	S	*	*			trans	-86.3	89.8	159.4	-100	-169.1	-177.5	0	0	108.2	H597	M595-H597 PolarHBondContact O-N 3.36Å
596	E	27	Very low	33.1	Very low	164 Å²	164	149.7 Å²	149.7	77%	0.766	77%	0.766	S	S	*	*			trans	-43.1	96.3	158.9	-63.9	174.7	134.8	0	0	111.5	Q594	Q594-E596 VanDerWaalsContact C-N 3.33Å; Q594-E596 PolarHBondContact O-N 3.45Å
597	H	33.1	Very low	32.2	Very low	153 Å²	153	151.2 Å²	151.2	71%	0.708	77%	0.765	S	S	*	*			trans	-128.8	79.3	155.8	-79.5	-27.5	0	0	0	110	M595 Y599	M595-H597 PolarHBondContact O-N 3.36Å; H597-Y599 HydrophobicContact CB-CD2 4.41Å; H597-Y599 PolarHBondContact O-N 3.21Å
598	N	25.8	Very low	31.5	Very low	151 Å²	151	146 Å²	146	81%	0.807	76%	0.761	S	S	*	*			trans	-49.1	94	155.9	-76.1	-36	0	0	0	110.5
599	Y	27.9	Very low	30.8	Very low	197 Å²	197	149.3 Å²	149.3	77%	0.773	77%	0.773	S	S	*	*			trans	-135.2	66.3	159.5	-80	-83.6	0	0	0	107.9	H597	H597-Y599 HydrophobicContact CB-CD2 4.41Å; H597-Y599 PolarHBondContact O-N 3.21Å
600	Y	29.4	Very low	29.9	Very low	222 Å²	222	154.6 Å²	154.6	87%	0.871	79%	0.79	S	S	*	*	S	Bend	trans	169.1	104.9	145.9	-91.8	-68	0	0	0	106.1	Q602	Y600-Q602 PolarHBondContact O-N 3.49Å
601	S	27	Very low	29.3	Very low	124 Å²	124	155.3 Å²	155.3	87%	0.867	79%	0.792	S	S	*	*			trans	-53.9	100.4	169.9	23	0	0	0	0	110.3
602	Q	29.5	Very low	28.6	Very low	178 Å²	178	155.8 Å²	155.8	83%	0.832	80%	0.798	S	S	*	*			trans	-112.1	137.6	154	-83.4	-171.7	-9.7	0	0	109.1	Y600	Y600-Q602 PolarHBondContact O-N 3.49Å
603	P	31.3	Very low	28.4	Very low	124 Å²	124	155.8 Å²	155.8	81%	0.805	80%	0.798	S	S	*	*			trans	-70.7	142.2	-170.4	-7.3	24.3	0	0	0	110.9	E605	P603-E605 PolarHBondContact O-N 2.94Å
604	V	28	Very low	28.3	Very low	140 Å²	140	156.8 Å²	156.8	85%	0.848	80%	0.802	S	S	*	*			trans	-59.6	117.7	167.4	175.4	0	0	0	0	109.3
605	E	30.2	Very low	28	Very low	194 Å²	194	159 Å²	159	91%	0.907	80%	0.804	S	S	*	*			trans	-118.8	130	154.3	-83	-170.1	172.7	0	0	110.4	P603	P603-E605 PolarHBondContact O-N 2.94Å
606	S	26.6	Very low	28.1	Very low	99 Å²	99	158.3 Å²	158.3	69%	0.692	80%	0.799	S	S	*	*			trans	-95.8	141.8	-165.3	49.2	0	0	0	0	113.4
607	S	26.2	Very low	28.4	Very low	103 Å²	103	154.7 Å²	154.7	72%	0.72	79%	0.791	S	S	*	*			trans	67.9	132.8	140.8	68.3	0	0	0	0	121.6
608	S	25	Very low	28.5	Very low	100 Å²	100	155 Å²	155	70%	0.699	79%	0.793	S	S	*	*			trans	86.1	93.3	147.7	74.5	0	0	0	0	118.8
609	H	28.4	Very low	29.1	Very low	191 Å²	191	151.3 Å²	151.3	88%	0.884	77%	0.773	S	S	*	*			trans	-144.9	109.7	135.1	-87.5	-60.8	0	0	0	110.1	L611	H609-L611 PolarHBondContact O-N 3.48Å
610	H	25.1	Very low	29.7	Very low	198 Å²	198	149.3 Å²	149.3	92%	0.917	77%	0.765	S	S	*	*			trans	-55.9	124.9	165.9	-82.5	-65.1	0	0	0	110.8
611	L	29.2	Very low	30.3	Very low	158 Å²	158	139.8 Å²	139.8	83%	0.827	73%	0.734	S	S	*	*			trans	-137	142.8	151.3	-89.3	120.8	0	0	0	109.5	H609	H609-L611 PolarHBondContact O-N 3.48Å
612	P	26.9	Very low	31.3	Very low	114 Å²	114	136.7 Å²	136.7	74%	0.74	71%	0.708	S	S	*	*			trans	-76.6	145.2	-158.1	30.1	-33.6	0	0	0	113.2	Y614	P612-Y614 PolarHBondContact O-N 3.02Å
613	N	25.7	Very low	32.3	Very low	136 Å²	136	132.5 Å²	132.5	73%	0.727	69%	0.688	S	S	*	*			trans	-37.5	103.8	168.8	-92.2	-22.7	0	0	0	113.9
614	Y	27.3	Very low	33.1	Very low	211 Å²	211	130.4 Å²	130.4	83%	0.827	67%	0.67	S	S	*	*			trans	-132.5	73.2	145.4	-98.3	-86.2	0	0	0	107.2	P612 H616	P612-Y614 PolarHBondContact O-N 3.02Å; Y614-H616 VanDerWaalsContact C-N 3.32Å; Y614-H616 PolarHBondContact O-N 3.36Å
615	Y	26	Very low	34	Very low	215 Å²	215	129.3 Å²	129.3	84%	0.843	67%	0.668	S	S	*	*			trans	-72	92.1	164.3	-93.1	-92.9	0	0	0	107.7
616	H	34.3	Very low	34.6	Very low	153 Å²	153	122.5 Å²	122.5	71%	0.708	65%	0.65	S	S	*	*			trans	-110.4	110.9	157.2	-91.5	20.9	0	0	0	106.9	Y614 Q618	Y614-H616 VanDerWaalsContact C-N 3.32Å; Y614-H616 PolarHBondContact O-N 3.36Å; H616-Q618 PolarHBondContact O-N 3.12Å
617	S	33.2	Very low	35.3	Very low	87 Å²	87	122.9 Å²	122.9	61%	0.608	65%	0.648	S	S	*	*			trans	23	101.1	144.6	39.5	0	0	0	0	115.1	D619	S617-D619 PolarHBondContact O-N 3.37Å
618	Q	35.5	Very low	36	Very low	160 Å²	160	126.9 Å²	126.9	75%	0.748	65%	0.653	S	S	*	*			trans	-65.4	80	167.7	-76.1	177.2	-21	0	0	109.6	H616 Y620	H616-Q618 PolarHBondContact O-N 3.12Å; Q618-Y620 HydrophobicContact CB-CE2 4.29Å; Q618-Y620 PolarHBondContact O-N 3.45Å
619	D	39.2	Very low	36.5	Very low	73 Å²	73	129.2 Å²	129.2	39%	0.39	66%	0.657	S	S	.	*			trans	-73.5	109.2	162.8	-78.9	-21.6	0	0	0	107.2	S617 G621 H623	S617-D619 PolarHBondContact O-N 3.37Å; D619-G621 PolarHBondContact O-N 2.98Å; D619-H623 IonicContact OD2-CD2 3.26Å; D619-H623 IonicContact OD2-CE1 2.69Å; D619-H623 IonicContact OD2-NE2 3.34Å; D619-H623 PolarHBondContact OD2-NE2 3.25Å
620	Y	40.4	Very low	37.3	Very low	156 Å²	156	124.9 Å²	124.9	61%	0.612	64%	0.637	S	S	*	*			trans	-74.9	38.4	170	-70.1	-85.2	0	0	0	111.5	Q618	Q618-Y620 HydrophobicContact CB-CE2 4.29Å; Q618-Y620 PolarHBondContact O-N 3.45Å
621	G	42.4	Very low	38.3	Very low	21 Å²	21	118.3 Å²	118.3	22%	0.216	61%	0.609	C	S	.	*	S	Bend	trans	-118.9	158.2	-172.2	0	0	0	0	0	112.8	D619 H623	D619-G621 PolarHBondContact O-N 2.98Å; G621-H623 PolarHBondContact O-N 2.92Å
622	L	47.1	Very low	39.3	Very low	59 Å²	59	119.6 Å²	119.6	31%	0.309	61%	0.608	S	S	.	*			trans	-55.6	103.4	165.8	-118	135.2	0	0	0	108.7	F637 A641 F652 F653	L622-F637 HydrophobicContact CB-CE1 4.18Å; L622-F637 HydrophobicContact CB-CZ 4.19Å; L622-F637 HydrophobicContact CD2-CE1 4.09Å; L622-F637 HydrophobicContact CD2-CZ 3.67Å; L622-F637 WeakPolarHBondContact O-CE1 3.23Å; L622-A641 WeakPolarHBondContact O-CB 3.34Å; L622-F652 HydrophobicContact CD1-CD1 4.21Å; L622-F652 HydrophobicContact CD1-CE1 4.16Å; L622-F653 HydrophobicContact CD1-CE2 3.82Å; L622-F653 HydrophobicContact CD1-CZ 3.59Å; L622-F653 HydrophobicContact CG-CZ 4.35Å
623	H	51	Low	40.4	Very low	90 Å²	90	119.4 Å²	119.4	42%	0.417	60%	0.599	S	S	.	*			trans	-110.4	122.6	176.6	-113.1	-100.7	0	0	0	108.8	D619 G621 N638	D619-H623 IonicContact OD2-CD2 3.26Å; D619-H623 IonicContact OD2-CE1 2.69Å; D619-H623 IonicContact OD2-NE2 3.34Å; D619-H623 PolarHBondContact OD2-NE2 3.25Å; G621-H623 PolarHBondContact O-N 2.92Å; H623-N638 WeakPolarHBondContact CA-OD1 3.4Å; H623-N638 PolarHBondContact CE1-ND2 3.46Å; H623-N638 PolarHBondContact ND1-ND2 3.23Å
624	L	48.7	Very low	41.6	Very low	80 Å²	80	114 Å²	114	42%	0.419	57%	0.57	S	S	.	*			trans	-83.8	131.8	164.4	-79	170.9	0	0	0	108.3	I634 F637 N638	L624-I634 HydrophobicContact CB-CG1 4.27Å; L624-I634 WeakPolarHBondContact O-CG2 3.39Å; L624-F637 HydrophobicContact CB-CD1 3.85Å; L624-F637 HydrophobicContact CB-CE1 4.34Å; L624-F637 HydrophobicContact CB-CG 4.46Å; L624-F637 HydrophobicContact CD1-CB 3.85Å; L624-F637 HydrophobicContact CD1-CD1 3.48Å; L624-F637 VanDerWaalsContact CD1-CD1 3.48Å; L624-F637 HydrophobicContact CD1-CD2 3.75Å; L624-F637 HydrophobicContact CD1-CE1 3.92Å; L624-F637 HydrophobicContact CD1-CE2 4.16Å; L624-F637 HydrophobicContact CD1-CG 3.4Å; L624-F637 HydrophobicContact CD1-CZ 4.25Å; L624-F637 HydrophobicContact CG-CD1 3.56Å; L624-F637 HydrophobicContact CG-CE1 3.73Å; L624-F637 HydrophobicContact CG-CG 4.05Å; L624-F637 HydrophobicContact CG-CZ 4.34Å; L624-N638 PolarHBondContact N-OD1 3.45Å; L624-N638 PolarHBondContact O-ND2 2.82Å
625	S	45.2	Very low	42.9	Very low	117 Å²	117	111.5 Å²	111.5	82%	0.818	56%	0.559	S	S	*	*			trans	-118.8	146.1	168.3	62.6	0	0	0	0	109
626	G	44.3	Very low	44.4	Very low	52 Å²	52	106.1 Å²	106.1	54%	0.536	54%	0.54	S	S	.	.			trans	-176.8	176.9	-176.8	0	0	0	0	0	114.7	I634	G626-I634 VanDerWaalsContact CA-CD1 3.5Å; G626-I634 VanDerWaalsContact N-CD1 3.33Å
627	V	40.4	Very low	45.3	Very low	106 Å²	106	101.5 Å²	101.5	64%	0.642	52%	0.518	S	S	*	.			trans	-65.9	148.7	-173.6	-162.8	0	0	0	0	110.8	N629 H630	V627-N629 PolarHBondContact O-N 2.93Å; V627-H630 PolarHBondContact O-N 2.85Å
628	K	40.2	Very low	46.5	Very low	187 Å²	187	98.2 Å²	98.2	81%	0.813	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-44.8	-25.3	-177	-71.7	-175.5	178	180	0	115.9	H630	K628-H630 VanDerWaalsContact C-N 3.26Å; K628-H630 PolarHBondContact O-N 3.39Å
629	N	37.4	Very low	47.6	Very low	149 Å²	149	95.5 Å²	95.5	80%	0.797	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-70.2	-19.5	176.9	-68	-10.6	0	0	0	113.7	V627	V627-N629 PolarHBondContact O-N 2.93Å
630	H	43.2	Very low	48.3	Very low	100 Å²	100	94.9 Å²	94.9	46%	0.463	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-106	4.4	-178.7	-62.8	-73	0	0	0	113.5	V627 K628 K632 I633 I634	V627-H630 PolarHBondContact O-N 2.85Å; K628-H630 VanDerWaalsContact C-N 3.26Å; K628-H630 PolarHBondContact O-N 3.39Å; H630-K632 PolarHBondContact O-N 3.48Å; H630-K632 VanDerWaalsContact O-N 3.08Å; H630-I633 WeakPolarHBondContact O-CB 3.32Å; H630-I633 PolarHBondContact O-N 2.9Å; H630-I634 HydrophobicContact CB-CD1 3.85Å; H630-I634 HydrophobicContact CB-CG1 4.32Å; H630-I634 WeakPolarHBondContact O-CG1 3.38Å; H630-I634 PolarHBondContact O-N 3.38Å
631	D	47.8	Very low	48.8	Very low	61 Å²	61	88.1 Å²	88.1	33%	0.326	46%	0.457	S	S	.	.	H	α-helix	trans	-51.3	-38.3	-175.6	-121.1	43.2	0	0	0	113.1	R635	D631-R635 WeakPolarHBondContact O-CB 3.22Å; D631-R635 VanDerWaalsContact O-CG 3.24Å; D631-R635 WeakPolarHBondContact O-CG 3.49Å; D631-R635 PolarHBondContact O-N 3.4Å; D631-R635 IonicContact OD2-CZ 3.57Å; D631-R635 IonicContact OD2-NE 3.61Å; D631-R635 IonicContact OD2-NH2 2.79Å; D631-R635 PolarHBondContact OD2-NH2 3.02Å
632	K	48.9	Very low	49.3	Very low	184 Å²	184	90.9 Å²	90.9	80%	0.8	47%	0.467	S	S	*	.	H	α-helix	trans	-68.7	-39.8	178.9	-167.3	179.5	-178.9	-175.7	0	112.2	H630 K636	H630-K632 PolarHBondContact O-N 3.48Å; H630-K632 VanDerWaalsContact O-N 3.08Å; K632-K636 WeakPolarHBondContact O-CB 3.37Å; K632-K636 PolarHBondContact O-N 3.27Å; K632-K636 VanDerWaalsContact O-N 3.08Å
633	I	51.6	Low	49.6	Very low	110 Å²	110	95.5 Å²	95.5	56%	0.564	49%	0.487	S	S	*	.	H	α-helix	trans	-70.8	-45.8	178.6	-62.9	173.1	0	0	0	109.2	H630 K636 F637	H630-I633 WeakPolarHBondContact O-CB 3.32Å; H630-I633 PolarHBondContact O-N 2.9Å; I633-K636 PolarHBondContact O-N 2.92Å; I633-F637 WeakPolarHBondContact O-CB 3.24Å; I633-F637 PolarHBondContact O-N 2.86Å
634	I	50.7	Low	49.5	Very low	22 Å²	22	96.5 Å²	96.5	11%	0.113	49%	0.487	C	S	.	.	H	α-helix	trans	-59	-48.8	177.1	-70.9	162.3	0	0	0	111	L624 G626 H630 K636 F637 N638	L624-I634 HydrophobicContact CB-CG1 4.27Å; L624-I634 WeakPolarHBondContact O-CG2 3.39Å; G626-I634 VanDerWaalsContact CA-CD1 3.5Å; G626-I634 VanDerWaalsContact N-CD1 3.33Å; H630-I634 HydrophobicContact CB-CD1 3.85Å; H630-I634 HydrophobicContact CB-CG1 4.32Å; H630-I634 WeakPolarHBondContact O-CG1 3.38Å; H630-I634 PolarHBondContact O-N 3.38Å; I634-K636 VanDerWaalsContact C-N 3.33Å; I634-K636 PolarHBondContact O-N 3.23Å; I634-F637 PolarHBondContact O-N 2.86Å; I634-N638 WeakPolarHBondContact O-CB 3.2Å; I634-N638 VanDerWaalsContact O-CG 3.28Å; I634-N638 PolarHBondContact O-N 2.88Å
635	R	54.6	Low	49.6	Very low	159 Å²	159	94.4 Å²	94.4	60%	0.6	48%	0.476	S	S	*	.	H	α-helix	trans	-61.9	-39.2	175.8	-74.5	179.1	-156.1	-176.7	7.3	112.5	D631 N639	D631-R635 WeakPolarHBondContact O-CB 3.22Å; D631-R635 VanDerWaalsContact O-CG 3.24Å; D631-R635 WeakPolarHBondContact O-CG 3.49Å; D631-R635 PolarHBondContact O-N 3.4Å; D631-R635 IonicContact OD2-CZ 3.57Å; D631-R635 IonicContact OD2-NE 3.61Å; D631-R635 IonicContact OD2-NH2 2.79Å; D631-R635 PolarHBondContact OD2-NH2 3.02Å; R635-N639 VanDerWaalsContact O-CB 3.23Å; R635-N639 WeakPolarHBondContact O-CB 3.4Å; R635-N639 PolarHBondContact O-N 3.39Å; R635-N639 PolarHBondContact O-ND2 3.03Å
636	K	56	Low	49.6	Very low	103 Å²	103	96.1 Å²	96.1	45%	0.448	47%	0.473	S	S	.	.	H	α-helix	trans	-66.2	-42.8	177.9	-167.1	178.2	-179.7	-173.9	0	110.8	K632 I633 I634 L640 A681	K632-K636 WeakPolarHBondContact O-CB 3.37Å; K632-K636 PolarHBondContact O-N 3.27Å; K632-K636 VanDerWaalsContact O-N 3.08Å; I633-K636 PolarHBondContact O-N 2.92Å; I634-K636 VanDerWaalsContact C-N 3.33Å; I634-K636 PolarHBondContact O-N 3.23Å; K636-L640 HydrophobicContact CG-CD1 4.34Å; K636-L640 WeakPolarHBondContact O-CB 3.45Å; K636-L640 VanDerWaalsContact O-CG 3.31Å; K636-L640 WeakPolarHBondContact O-CG 3.37Å; K636-L640 PolarHBondContact O-N 3.49Å; K636-A681 PolarHBondContact NZ-O 3.17Å
637	F	54.5	Low	49.6	Very low	55 Å²	55	99.7 Å²	99.7	24%	0.241	49%	0.485	C	S	.	.	H	α-helix	trans	-64.5	-51.2	175.9	-179.3	-93.9	0	0	0	111.7	L622 L624 I633 I634 N639 L640 A641	L622-F637 HydrophobicContact CB-CE1 4.18Å; L622-F637 HydrophobicContact CB-CZ 4.19Å; L622-F637 HydrophobicContact CD2-CE1 4.09Å; L622-F637 HydrophobicContact CD2-CZ 3.67Å; L622-F637 WeakPolarHBondContact O-CE1 3.23Å; L624-F637 HydrophobicContact CB-CD1 3.85Å; L624-F637 HydrophobicContact CB-CE1 4.34Å; L624-F637 HydrophobicContact CB-CG 4.46Å; L624-F637 HydrophobicContact CD1-CB 3.85Å; L624-F637 HydrophobicContact CD1-CD1 3.48Å; L624-F637 VanDerWaalsContact CD1-CD1 3.48Å; L624-F637 HydrophobicContact CD1-CD2 3.75Å; L624-F637 HydrophobicContact CD1-CE1 3.92Å; L624-F637 HydrophobicContact CD1-CE2 4.16Å; L624-F637 HydrophobicContact CD1-CG 3.4Å; L624-F637 HydrophobicContact CD1-CZ 4.25Å; L624-F637 HydrophobicContact CG-CD1 3.56Å; L624-F637 HydrophobicContact CG-CE1 3.73Å; L624-F637 HydrophobicContact CG-CG 4.05Å; L624-F637 HydrophobicContact CG-CZ 4.34Å; I633-F637 WeakPolarHBondContact O-CB 3.24Å; I633-F637 PolarHBondContact O-N 2.86Å; I634-F637 PolarHBondContact O-N 2.86Å; F637-N639 VanDerWaalsContact C-N 3.27Å; F637-N639 PolarHBondContact O-N 2.84Å; F637-L640 CarbonylContact O-C 3.35Å; F637-L640 PolarHBondContact O-N 3.23Å; F637-A641 HydrophobicContact CE1-CB 4.24Å; F637-A641 WeakPolarHBondContact O-CB 3.19Å; F637-A641 PolarHBondContact O-N 3.21Å
638	N	57	Low	49.9	Very low	19 Å²	19	95.6 Å²	95.6	10%	0.102	46%	0.464	C	S	.	.	H	α-helix	trans	-63.4	-34.2	-180	-65.1	-12.2	0	0	0	111.5	H623 L624 I634 N642	H623-N638 WeakPolarHBondContact CA-OD1 3.4Å; H623-N638 PolarHBondContact CE1-ND2 3.46Å; H623-N638 PolarHBondContact ND1-ND2 3.23Å; L624-N638 PolarHBondContact N-OD1 3.45Å; L624-N638 PolarHBondContact O-ND2 2.82Å; I634-N638 WeakPolarHBondContact O-CB 3.2Å; I634-N638 VanDerWaalsContact O-CG 3.28Å; I634-N638 PolarHBondContact O-N 2.88Å; N638-N642 WeakPolarHBondContact O-CB 3.44Å; N638-N642 PolarHBondContact O-N 3.41Å; N638-N642 PolarHBondContact O-ND2 3.2Å
639	N	58.6	Low	50.4	Low	103 Å²	103	88 Å²	88	55%	0.551	43%	0.433	S	S	*	.	H	α-helix	trans	-64.9	-41	171.5	-76.8	-13.2	0	0	0	112.5	R635 F637 Q643	R635-N639 VanDerWaalsContact O-CB 3.23Å; R635-N639 WeakPolarHBondContact O-CB 3.4Å; R635-N639 PolarHBondContact O-N 3.39Å; R635-N639 PolarHBondContact O-ND2 3.03Å; F637-N639 VanDerWaalsContact C-N 3.27Å; F637-N639 PolarHBondContact O-N 2.84Å; N639-Q643 WeakPolarHBondContact O-CB 3.47Å; N639-Q643 VanDerWaalsContact O-CG 3.23Å; N639-Q643 WeakPolarHBondContact O-CG 3.21Å; N639-Q643 PolarHBondContact O-N 3.37Å; N639-Q643 VanDerWaalsContact O-N 3.12Å
640	L	54.5	Low	51	Low	60 Å²	60	86.3 Å²	86.3	31%	0.314	42%	0.424	S	S	.	.	H	α-helix	trans	-71.1	-42.9	177.9	-76.2	167.9	0	0	0	112	K636 F637 Q643 R644	K636-L640 HydrophobicContact CG-CD1 4.34Å; K636-L640 WeakPolarHBondContact O-CB 3.45Å; K636-L640 VanDerWaalsContact O-CG 3.31Å; K636-L640 WeakPolarHBondContact O-CG 3.37Å; K636-L640 PolarHBondContact O-N 3.49Å; F637-L640 CarbonylContact O-C 3.35Å; F637-L640 PolarHBondContact O-N 3.23Å; L640-Q643 PolarHBondContact O-N 3.04Å; L640-R644 PolarHBondContact O-N 3.47Å
641	A	50.6	Low	51.3	Low	13 Å²	13	87 Å²	87	11%	0.107	43%	0.428	C	S	.	.	H	α-helix	trans	-60.1	-50.5	175.1	0	0	0	0	0	109.6	L622 F637 Q643 R644 L645	L622-A641 WeakPolarHBondContact O-CB 3.34Å; F637-A641 HydrophobicContact CE1-CB 4.24Å; F637-A641 WeakPolarHBondContact O-CB 3.19Å; F637-A641 PolarHBondContact O-N 3.21Å; A641-Q643 PolarHBondContact O-N 3.23Å; A641-R644 PolarHBondContact O-N 2.9Å; A641-L645 HydrophobicContact CB-CD1 3.98Å; A641-L645 WeakPolarHBondContact O-CB 3.36Å; A641-L645 WeakPolarHBondContact O-CD1 3.44Å; A641-L645 WeakPolarHBondContact O-CG 3.29Å; A641-L645 PolarHBondContact O-N 2.88Å
642	N	53.7	Low	51.5	Low	80 Å²	80	85.5 Å²	85.5	43%	0.428	42%	0.418	S	S	.	.	H	α-helix	trans	-62.8	-25.4	177.8	-73.2	-6.2	0	0	0	113.4	N638	N638-N642 WeakPolarHBondContact O-CB 3.44Å; N638-N642 PolarHBondContact O-N 3.41Å; N638-N642 PolarHBondContact O-ND2 3.2Å
643	Q	53.3	Low	51.8	Low	156 Å²	156	81.3 Å²	81.3	73%	0.729	40%	0.4	S	S	*	.	H	α-helix	trans	-77.8	-20.7	174.2	-79.9	175.6	-1.3	0	0	113.9	N639 L640 A641	N639-Q643 WeakPolarHBondContact O-CB 3.47Å; N639-Q643 VanDerWaalsContact O-CG 3.23Å; N639-Q643 WeakPolarHBondContact O-CG 3.21Å; N639-Q643 PolarHBondContact O-N 3.37Å; N639-Q643 VanDerWaalsContact O-N 3.12Å; L640-Q643 PolarHBondContact O-N 3.04Å; A641-Q643 PolarHBondContact O-N 3.23Å
644	R	48.4	Very low	52	Low	110 Å²	110	80.8 Å²	80.8	42%	0.415	40%	0.398	S	S	.	.	H	α-helix	trans	-118.8	-4	-173.1	-68.4	-168.7	175.3	-142.9	9.6	114.9	L640 A641 M646 H676 E677	L640-R644 PolarHBondContact O-N 3.47Å; A641-R644 PolarHBondContact O-N 2.9Å; R644-M646 VanDerWaalsContact C-N 3.27Å; R644-M646 PolarHBondContact O-N 3.39Å; R644-M646 VanDerWaalsContact O-N 3.08Å; R644-H676 PolarHBondContact NH1-O 2.86Å; R644-E677 PolarHBondContact NH2-O 2.6Å
645	L	50.2	Low	51.9	Low	36 Å²	36	85 Å²	85	19%	0.188	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	20.9	-172.8	-106.1	158	0	0	0	117.5	A641 V649	A641-L645 HydrophobicContact CB-CD1 3.98Å; A641-L645 WeakPolarHBondContact O-CB 3.36Å; A641-L645 WeakPolarHBondContact O-CD1 3.44Å; A641-L645 WeakPolarHBondContact O-CG 3.29Å; A641-L645 PolarHBondContact O-N 2.88Å; L645-V649 HydrophobicContact CB-CG2 4.49Å; L645-V649 HydrophobicContact CD2-CB 3.63Å; L645-V649 HydrophobicContact CD2-CG1 3.74Å; L645-V649 HydrophobicContact CD2-CG2 3.5Å; L645-V649 VanDerWaalsContact CD2-CG2 3.5Å; L645-V649 HydrophobicContact CG-CB 4.31Å; L645-V649 HydrophobicContact CG-CG2 3.61Å
646	M	45.1	Very low	51.8	Low	153 Å²	153	79 Å²	79	75%	0.754	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.7	-8.8	176.5	-79	-78.3	147.2	0	0	114.4	R644	R644-M646 VanDerWaalsContact C-N 3.27Å; R644-M646 PolarHBondContact O-N 3.39Å; R644-M646 VanDerWaalsContact O-N 3.08Å
647	T	45.5	Very low	51.8	Low	127 Å²	127	80.9 Å²	80.9	78%	0.779	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-147.1	-20.1	-177.6	32.3	0	0	0	0	115.8
648	G	45.8	Very low	51.7	Low	20 Å²	20	85.7 Å²	85.7	21%	0.206	44%	0.435	C	S	.	.	S	Bend	trans	-113.1	-8.4	-173.4	0	0	0	0	0	116.4	F652 Y672	G648-F652 PolarHBondContact O-N 2.7Å; G648-F652 VanDerWaalsContact O-N 3.1Å; G648-Y672 PolarHBondContact O-OH 3.22Å; G648-Y672 VanDerWaalsContact O-OH 3.06Å
649	V	50.1	Low	51.4	Low	27 Å²	27	87.9 Å²	87.9	16%	0.164	45%	0.447	C	S	.	.	H	α-helix	trans	-82.7	-31.9	-177.2	173.4	0	0	0	0	112.3	L645 E651 F652 F653	L645-V649 HydrophobicContact CB-CG2 4.49Å; L645-V649 HydrophobicContact CD2-CB 3.63Å; L645-V649 HydrophobicContact CD2-CG1 3.74Å; L645-V649 HydrophobicContact CD2-CG2 3.5Å; L645-V649 VanDerWaalsContact CD2-CG2 3.5Å; L645-V649 HydrophobicContact CG-CB 4.31Å; L645-V649 HydrophobicContact CG-CG2 3.61Å; V649-E651 VanDerWaalsContact C-N 3.35Å; V649-F652 PolarHBondContact O-N 3.01Å; V649-F653 HydrophobicContact CG1-CD2 3.47Å; V649-F653 VanDerWaalsContact CG1-CD2 3.47Å; V649-F653 HydrophobicContact CG1-CE2 3.33Å; V649-F653 WeakPolarHBondContact O-CD2 3.42Å; V649-F653 PolarHBondContact O-N 3.24Å
650	D	50	Low	50.7	Low	115 Å²	115	94.8 Å²	94.8	62%	0.615	47%	0.465	S	S	*	.	H	α-helix	trans	-66	-40.1	171.7	-64.3	-24.9	0	0	0	110.3	F652 F653 D654	D650-F652 PolarHBondContact O-N 3.25Å; D650-F653 PolarHBondContact O-N 3.3Å; D650-D654 WeakPolarHBondContact O-CB 3.31Å; D650-D654 VanDerWaalsContact O-CG 3.29Å; D650-D654 PolarHBondContact O-N 3.48Å
651	E	51	Low	50.9	Low	115 Å²	115	98.7 Å²	98.7	54%	0.537	49%	0.486	S	S	.	.	H	α-helix	trans	-62.8	-38.5	171.3	-82.4	179.8	164.1	0	0	112.8	V649 E655	V649-E651 VanDerWaalsContact C-N 3.35Å; E651-E655 WeakPolarHBondContact O-CB 3.3Å; E651-E655 PolarHBondContact O-N 3.28Å
652	F	51.3	Low	50.9	Low	28 Å²	28	100.8 Å²	100.8	12%	0.123	51%	0.509	C	S	.	.	H	α-helix	trans	-64.8	-39.9	175.7	-177.9	-112.9	0	0	0	112.7	L622 G648 V649 D650 L656 I664 L669 Y672	L622-F652 HydrophobicContact CD1-CD1 4.21Å; L622-F652 HydrophobicContact CD1-CE1 4.16Å; G648-F652 PolarHBondContact O-N 2.7Å; G648-F652 VanDerWaalsContact O-N 3.1Å; V649-F652 PolarHBondContact O-N 3.01Å; D650-F652 PolarHBondContact O-N 3.25Å; F652-L656 HydrophobicContact CD1-CD1 3.76Å; F652-L656 HydrophobicContact CE1-CD1 3.38Å; F652-L656 HydrophobicContact CE1-CG 4.46Å; F652-L656 HydrophobicContact CE2-CD1 4.43Å; F652-L656 HydrophobicContact CG-CD1 4.44Å; F652-L656 HydrophobicContact CZ-CD1 3.77Å; F652-L656 HydrophobicContact CZ-CG 4.46Å; F652-L656 WeakPolarHBondContact O-CB 3Å; F652-L656 WeakPolarHBondContact O-CG 3.36Å; F652-L656 PolarHBondContact O-N 3.47Å; F652-I664 HydrophobicContact CE2-CD1 3.75Å; F652-I664 HydrophobicContact CZ-CD1 4.14Å; F652-L669 HydrophobicContact CE2-CD1 3.87Å; F652-L669 HydrophobicContact CZ-CD1 3.81Å; F652-Y672 WeakPolarHBondContact CA-OH 3.29Å; F652-Y672 HydrophobicContact CB-CE1 4.01Å; F652-Y672 HydrophobicContact CB-CE2 4.4Å; F652-Y672 WeakPolarHBondContact CB-OH 3.42Å; F652-Y672 AromaticContact CD2-CD1 3.51Å; F652-Y672 HydrophobicContact CD2-CD1 3.51Å; F652-Y672 HydrophobicContact CD2-CD2 4.12Å; F652-Y672 AromaticContact CD2-CE1 3.31Å; F652-Y672 HydrophobicContact CD2-CE1 3.31Å; F652-Y672 AromaticContact CD2-CE2 3.94Å; F652-Y672 HydrophobicContact CD2-CE2 3.94Å; F652-Y672 AromaticContact CD2-CG 3.92Å; F652-Y672 HydrophobicContact CD2-CG 3.92Å; F652-Y672 AromaticContact CD2-CZ 3.56Å; F652-Y672 AromaticContact CE2-CD1 3.85Å; F652-Y672 HydrophobicContact CE2-CD1 3.85Å; F652-Y672 HydrophobicContact CE2-CE1 4.11Å; F652-Y672 HydrophobicContact CE2-CG 4.2Å; F652-Y672 HydrophobicContact CG-CE1 4Å; F652-Y672 PolarHBondContact N-OH 3.42Å
653	F	55.1	Low	50.8	Low	97 Å²	97	101.4 Å²	101.4	43%	0.425	52%	0.515	S	S	.	.	H	α-helix	trans	-77	-34.1	178.1	-77.8	-65.5	0	0	0	112.4	L622 V649 D650 E655 L656 D657	L622-F653 HydrophobicContact CD1-CE2 3.82Å; L622-F653 HydrophobicContact CD1-CZ 3.59Å; L622-F653 HydrophobicContact CG-CZ 4.35Å; V649-F653 HydrophobicContact CG1-CD2 3.47Å; V649-F653 VanDerWaalsContact CG1-CD2 3.47Å; V649-F653 HydrophobicContact CG1-CE2 3.33Å; V649-F653 WeakPolarHBondContact O-CD2 3.42Å; V649-F653 PolarHBondContact O-N 3.24Å; D650-F653 PolarHBondContact O-N 3.3Å; F653-E655 VanDerWaalsContact C-N 3.31Å; F653-E655 PolarHBondContact O-N 3.41Å; F653-L656 HydrophobicContact CD1-CD1 3.92Å; F653-L656 HydrophobicContact CE1-CD1 4.16Å; F653-L656 PolarHBondContact O-N 3.03Å; F653-D657 PolarHBondContact O-N 2.81Å
654	D	55.9	Low	51	Low	98 Å²	98	96.5 Å²	96.5	52%	0.524	49%	0.494	S	S	.	.	H	α-helix	trans	-60.4	-43.6	169.8	-76.8	-19.4	0	0	0	110.2	D650 D657 H658	D650-D654 WeakPolarHBondContact O-CB 3.31Å; D650-D654 VanDerWaalsContact O-CG 3.29Å; D650-D654 PolarHBondContact O-N 3.48Å; D654-D657 PolarHBondContact O-N 3.06Å; D654-H658 PolarHBondContact O-N 2.98Å; D654-H658 VanDerWaalsContact O-N 3.16Å; D654-H658 PolarHBondContact O-ND1 2.92Å
655	E	48.2	Very low	51.6	Low	112 Å²	112	94.2 Å²	94.2	52%	0.523	49%	0.492	S	S	.	.	H	α-helix	trans	-70.1	-32.3	178.5	-154	165.8	-163.8	0	0	112.7	E651 F653 H658 Y672	E651-E655 WeakPolarHBondContact O-CB 3.3Å; E651-E655 PolarHBondContact O-N 3.28Å; F653-E655 VanDerWaalsContact C-N 3.31Å; F653-E655 PolarHBondContact O-N 3.41Å; E655-H658 PolarHBondContact O-N 2.73Å; E655-Y672 WeakPolarHBondContact OE2-CD2 3.38Å; E655-Y672 WeakPolarHBondContact OE2-CE2 3.38Å
656	L	52.8	Low	52.1	Low	31 Å²	31	99.3 Å²	99.3	16%	0.162	52%	0.519	C	S	.	.	H	α-helix	trans	-66.7	-38.1	170.1	-87.8	164	0	0	0	113.1	F652 F653 H658 N659 I664	F652-L656 HydrophobicContact CD1-CD1 3.76Å; F652-L656 HydrophobicContact CE1-CD1 3.38Å; F652-L656 HydrophobicContact CE1-CG 4.46Å; F652-L656 HydrophobicContact CE2-CD1 4.43Å; F652-L656 HydrophobicContact CG-CD1 4.44Å; F652-L656 HydrophobicContact CZ-CD1 3.77Å; F652-L656 HydrophobicContact CZ-CG 4.46Å; F652-L656 WeakPolarHBondContact O-CB 3Å; F652-L656 WeakPolarHBondContact O-CG 3.36Å; F652-L656 PolarHBondContact O-N 3.47Å; F653-L656 HydrophobicContact CD1-CD1 3.92Å; F653-L656 HydrophobicContact CE1-CD1 4.16Å; F653-L656 PolarHBondContact O-N 3.03Å; L656-H658 VanDerWaalsContact C-N 3.26Å; L656-H658 PolarHBondContact O-N 3.08Å; L656-N659 PolarHBondContact O-N 2.86Å; L656-I664 HydrophobicContact CD2-CB 3.76Å; L656-I664 HydrophobicContact CD2-CG2 4.1Å
657	D	55.3	Low	53	Low	143 Å²	143	97.2 Å²	97.2	77%	0.765	51%	0.511	S	S	*	.	H	α-helix	trans	-70.4	-22.6	176.8	-104.1	0.5	0	0	0	112.3	F653 D654 N659	F653-D657 PolarHBondContact O-N 2.81Å; D654-D657 PolarHBondContact O-N 3.06Å; D657-N659 VanDerWaalsContact C-N 3.34Å
658	H	53.8	Low	53.7	Low	157 Å²	157	94.8 Å²	94.8	73%	0.727	49%	0.49	S	S	*	.	H	α-helix	trans	-76.9	-19.8	173.8	-75.3	61.9	0	0	0	113	D654 E655 L656 R660	D654-H658 PolarHBondContact O-N 2.98Å; D654-H658 VanDerWaalsContact O-N 3.16Å; D654-H658 PolarHBondContact O-ND1 2.92Å; E655-H658 PolarHBondContact O-N 2.73Å; L656-H658 VanDerWaalsContact C-N 3.26Å; L656-H658 PolarHBondContact O-N 3.08Å; H658-R660 PolarHBondContact O-N 2.92Å
659	N	49.8	Very low	54.5	Low	64 Å²	64	96.7 Å²	96.7	34%	0.342	50%	0.496	S	S	.	.	S	Bend	trans	-80.3	106.9	170.9	-85.4	-5.5	0	0	0	109.5	L656 D657 D661 G662 V663 E668	L656-N659 PolarHBondContact O-N 2.86Å; D657-N659 VanDerWaalsContact C-N 3.34Å; N659-D661 PolarHBondContact O-N 2.77Å; N659-G662 PolarHBondContact O-N 3.29Å; N659-V663 PolarHBondContact ND2-O 3.08Å; N659-E668 PolarHBondContact ND2-OE2 3.4Å
660	R	45	Very low	54.9	Low	249 Å²	249	97.8 Å²	97.8	94%	0.94	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.7	-25.6	-180	-84.2	-175.5	174.8	-178.3	-1.1	115.4	H658	H658-R660 PolarHBondContact O-N 2.92Å
661	D	57.7	Low	55.2	Low	141 Å²	141	96.8 Å²	96.8	75%	0.754	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-5.2	-174.5	-59.3	-19.5	0	0	0	112.4	N659 V663	N659-D661 PolarHBondContact O-N 2.77Å; D661-V663 WeakPolarHBondContact O-CG2 3.36Å; D661-V663 PolarHBondContact O-N 2.74Å
662	G	50.3	Low	55.5	Low	57 Å²	57	92.4 Å²	92.4	59%	0.588	48%	0.478	S	S	*	.	S	Bend	trans	60.9	12.3	-176.2	0	0	0	0	0	113.9	N659	N659-G662 PolarHBondContact O-N 3.29Å
663	V	51.3	Low	56	Low	93 Å²	93	92.3 Å²	92.3	56%	0.564	48%	0.479	S	S	*	.			trans	-108.9	124.2	-178.7	177	0	0	0	0	108	N659 D661	N659-V663 PolarHBondContact ND2-O 3.08Å; D661-V663 WeakPolarHBondContact O-CG2 3.36Å; D661-V663 PolarHBondContact O-N 2.74Å
664	I	57.5	Low	56.1	Low	53 Å²	53	93.5 Å²	93.5	27%	0.272	49%	0.489	S	S	.	.			trans	-96.2	125	165.3	-164.3	168.8	0	0	0	108.5	F652 L656 E668 L669	F652-I664 HydrophobicContact CE2-CD1 3.75Å; F652-I664 HydrophobicContact CZ-CD1 4.14Å; L656-I664 HydrophobicContact CD2-CB 3.76Å; L656-I664 HydrophobicContact CD2-CG2 4.1Å; I664-E668 WeakPolarHBondContact CA-OE2 3.47Å; I664-E668 HydrophobicContact CD1-CB 4.27Å; I664-E668 HydrophobicContact CG1-CB 3.5Å; I664-L669 HydrophobicContact CD1-CB 4.06Å; I664-L669 HydrophobicContact CD1-CD1 4.22Å; I664-L669 HydrophobicContact CG1-CB 4.25Å
665	T	62.9	Low	56.3	Low	62 Å²	62	95.3 Å²	95.3	38%	0.38	50%	0.498	S	S	.	.			trans	-69.8	156.4	173.9	61.6	0	0	0	0	110.4	D667 E668 L669	T665-D667 PolarHBondContact O-N 3Å; T665-E668 WeakPolarHBondContact CG2-OE1 3.4Å; T665-E668 PolarHBondContact N-OE2 3.2Å; T665-E668 PolarHBondContact O-N 2.81Å; T665-E668 VanDerWaalsContact O-N 3.12Å; T665-E668 WeakPolarHBondContact OG1-CB 3.43Å; T665-E668 WeakPolarHBondContact OG1-CG 3.38Å; T665-E668 PolarHBondContact OG1-N 3.4Å; T665-E668 PolarHBondContact OG1-OE1 3Å; T665-L669 PolarHBondContact O-N 2.94Å
666	L	60.6	Low	56.5	Low	143 Å²	143	93.1 Å²	93.1	75%	0.749	49%	0.487	S	S	*	.	H	α-helix	trans	-57.2	-34.3	175.7	-169	108.5	0	0	0	110.9	S670	L666-S670 VanDerWaalsContact O-CB 3.24Å; L666-S670 WeakPolarHBondContact O-CB 3.17Å; L666-S670 PolarHBondContact O-N 3.49Å; L666-S670 PolarHBondContact O-OG 2.85Å
667	D	63.1	Low	56.1	Low	110 Å²	110	98.8 Å²	98.8	59%	0.588	51%	0.513	S	S	*	.	H	α-helix	trans	-68.1	-44.3	176.9	-66.5	-18.6	0	0	0	111.2	T665 S670 N671	T665-D667 PolarHBondContact O-N 3Å; D667-S670 WeakPolarHBondContact CA-OG 3.41Å; D667-S670 PolarHBondContact O-N 3.17Å; D667-S670 PolarHBondContact O-OG 3.35Å; D667-N671 WeakPolarHBondContact O-CB 3.18Å; D667-N671 VanDerWaalsContact O-CG 3.26Å; D667-N671 PolarHBondContact O-N 3.48Å; D667-N671 PolarHBondContact O-ND2 3.24Å
668	E	59.5	Low	55.5	Low	75 Å²	75	93.7 Å²	93.7	35%	0.35	49%	0.485	S	S	.	.	H	α-helix	trans	-62.6	-44.6	174	-76.9	153.8	-141.6	0	0	112.4	N659 I664 T665 S670 N671 Y672	N659-E668 PolarHBondContact ND2-OE2 3.4Å; I664-E668 WeakPolarHBondContact CA-OE2 3.47Å; I664-E668 HydrophobicContact CD1-CB 4.27Å; I664-E668 HydrophobicContact CG1-CB 3.5Å; T665-E668 WeakPolarHBondContact CG2-OE1 3.4Å; T665-E668 PolarHBondContact N-OE2 3.2Å; T665-E668 PolarHBondContact O-N 2.81Å; T665-E668 VanDerWaalsContact O-N 3.12Å; T665-E668 WeakPolarHBondContact OG1-CB 3.43Å; T665-E668 WeakPolarHBondContact OG1-CG 3.38Å; T665-E668 PolarHBondContact OG1-N 3.4Å; T665-E668 PolarHBondContact OG1-OE1 3Å; E668-S670 VanDerWaalsContact C-N 3.32Å; E668-S670 PolarHBondContact O-N 3.06Å; E668-N671 PolarHBondContact O-N 3.46Å; E668-Y672 WeakPolarHBondContact O-CB 3.33Å; E668-Y672 PolarHBondContact O-N 3.23Å
669	L	62.5	Low	55	Low	61 Å²	61	94 Å²	94	32%	0.319	49%	0.487	S	S	.	.	H	α-helix	trans	-61.6	-44.4	174.2	-178.3	70.4	0	0	0	110.2	F652 I664 T665 N671 Y672 L673	F652-L669 HydrophobicContact CE2-CD1 3.87Å; F652-L669 HydrophobicContact CZ-CD1 3.81Å; I664-L669 HydrophobicContact CD1-CB 4.06Å; I664-L669 HydrophobicContact CD1-CD1 4.22Å; I664-L669 HydrophobicContact CG1-CB 4.25Å; T665-L669 PolarHBondContact O-N 2.94Å; L669-N671 VanDerWaalsContact C-N 3.32Å; L669-N671 PolarHBondContact O-N 3.2Å; L669-Y672 PolarHBondContact O-N 3.42Å; L669-L673 HydrophobicContact CD1-CD1 4.35Å; L669-L673 HydrophobicContact CD1-CG 4.4Å; L669-L673 HydrophobicContact CG-CD1 4Å; L669-L673 HydrophobicContact CG-CG 4.4Å; L669-L673 WeakPolarHBondContact O-CB 3.46Å; L669-L673 WeakPolarHBondContact O-CG 3.31Å; L669-L673 PolarHBondContact O-N 3.47Å
670	S	58.4	Low	54.5	Low	50 Å²	50	97.2 Å²	97.2	35%	0.35	50%	0.498	S	S	.	.	H	α-helix	trans	-62.7	-40.8	178.6	78.7	0	0	0	0	111.6	L666 D667 E668 L673 L674	L666-S670 VanDerWaalsContact O-CB 3.24Å; L666-S670 WeakPolarHBondContact O-CB 3.17Å; L666-S670 PolarHBondContact O-N 3.49Å; L666-S670 PolarHBondContact O-OG 2.85Å; D667-S670 WeakPolarHBondContact CA-OG 3.41Å; D667-S670 PolarHBondContact O-N 3.17Å; D667-S670 PolarHBondContact O-OG 3.35Å; E668-S670 VanDerWaalsContact C-N 3.32Å; E668-S670 PolarHBondContact O-N 3.06Å; S670-L673 PolarHBondContact O-N 3.42Å; S670-L674 WeakPolarHBondContact O-CB 3.35Å; S670-L674 PolarHBondContact O-N 2.86Å
671	N	57.4	Low	54.1	Low	94 Å²	94	88.8 Å²	88.8	50%	0.503	48%	0.481	S	S	.	.	H	α-helix	trans	-68.4	-42.6	177.7	-76.6	-25.6	0	0	0	111.7	D667 E668 L669 L673 L674 L675	D667-N671 WeakPolarHBondContact O-CB 3.18Å; D667-N671 VanDerWaalsContact O-CG 3.26Å; D667-N671 PolarHBondContact O-N 3.48Å; D667-N671 PolarHBondContact O-ND2 3.24Å; E668-N671 PolarHBondContact O-N 3.46Å; L669-N671 VanDerWaalsContact C-N 3.32Å; L669-N671 PolarHBondContact O-N 3.2Å; N671-L673 VanDerWaalsContact C-N 3.34Å; N671-L674 CarbonylContact O-C 3.58Å; N671-L674 WeakPolarHBondContact O-CB 3.39Å; N671-L674 PolarHBondContact O-N 3Å; N671-L674 VanDerWaalsContact O-N 3.14Å; N671-L675 WeakPolarHBondContact O-CB 3.22Å; N671-L675 WeakPolarHBondContact O-CD1 3.28Å; N671-L675 WeakPolarHBondContact O-CG 3.45Å; N671-L675 PolarHBondContact O-N 3.36Å
672	Y	58.2	Low	53.1	Low	23 Å²	23	94.2 Å²	94.2	9%	0.09	50%	0.502	C	S	.	.	H	α-helix	trans	-58.8	-48.4	174	-177.6	-90.7	0	0	0	110.5	G648 F652 E655 E668 L669 L674 L675 H676	G648-Y672 PolarHBondContact O-OH 3.22Å; G648-Y672 VanDerWaalsContact O-OH 3.06Å; F652-Y672 WeakPolarHBondContact CA-OH 3.29Å; F652-Y672 HydrophobicContact CB-CE1 4.01Å; F652-Y672 HydrophobicContact CB-CE2 4.4Å; F652-Y672 WeakPolarHBondContact CB-OH 3.42Å; F652-Y672 AromaticContact CD2-CD1 3.51Å; F652-Y672 HydrophobicContact CD2-CD1 3.51Å; F652-Y672 HydrophobicContact CD2-CD2 4.12Å; F652-Y672 AromaticContact CD2-CE1 3.31Å; F652-Y672 HydrophobicContact CD2-CE1 3.31Å; F652-Y672 AromaticContact CD2-CE2 3.94Å; F652-Y672 HydrophobicContact CD2-CE2 3.94Å; F652-Y672 AromaticContact CD2-CG 3.92Å; F652-Y672 HydrophobicContact CD2-CG 3.92Å; F652-Y672 AromaticContact CD2-CZ 3.56Å; F652-Y672 AromaticContact CE2-CD1 3.85Å; F652-Y672 HydrophobicContact CE2-CD1 3.85Å; F652-Y672 HydrophobicContact CE2-CE1 4.11Å; F652-Y672 HydrophobicContact CE2-CG 4.2Å; F652-Y672 HydrophobicContact CG-CE1 4Å; F652-Y672 PolarHBondContact N-OH 3.42Å; E655-Y672 WeakPolarHBondContact OE2-CD2 3.38Å; E655-Y672 WeakPolarHBondContact OE2-CE2 3.38Å; E668-Y672 WeakPolarHBondContact O-CB 3.33Å; E668-Y672 PolarHBondContact O-N 3.23Å; L669-Y672 PolarHBondContact O-N 3.42Å; Y672-L674 VanDerWaalsContact C-N 3.28Å; Y672-L674 PolarHBondContact O-N 3.1Å; Y672-L675 PolarHBondContact O-N 2.97Å; Y672-H676 AromaticContact CD1-CD2 3.91Å; Y672-H676 AromaticContact CD2-CD2 3.8Å; Y672-H676 AromaticContact CD2-NE2 3.94Å; Y672-H676 AromaticContact CE1-CD2 3.55Å; Y672-H676 AromaticContact CE2-CD2 3.45Å; Y672-H676 VanDerWaalsContact CE2-CD2 3.45Å; Y672-H676 WeakPolarHBondContact CE2-CD2 3.42Å; Y672-H676 AromaticContact CE2-NE2 3.26Å; Y672-H676 VanDerWaalsContact CE2-NE2 3.26Å; Y672-H676 WeakPolarHBondContact CE2-NE2 3.49Å; Y672-H676 AromaticContact CZ-CD2 3.29Å; Y672-H676 AromaticContact CZ-NE2 3.34Å; Y672-H676 VanDerWaalsContact CZ-NE2 3.34Å; Y672-H676 PolarHBondContact O-CD2 3.4Å; Y672-H676 VanDerWaalsContact O-CD2 3.23Å; Y672-H676 PolarHBondContact O-N 3.42Å; Y672-H676 PolarHBondContact OH-NE2 2.99Å
673	L	61.4	Low	53.2	Low	26 Å²	26	96.1 Å²	96.1	14%	0.136	50%	0.497	C	S	.	.	H	α-helix	trans	-62.8	-35	175.9	-66.4	177.3	0	0	0	111.8	L669 S670 N671 E677 I678 F680	L669-L673 HydrophobicContact CD1-CD1 4.35Å; L669-L673 HydrophobicContact CD1-CG 4.4Å; L669-L673 HydrophobicContact CG-CD1 4Å; L669-L673 HydrophobicContact CG-CG 4.4Å; L669-L673 WeakPolarHBondContact O-CB 3.46Å; L669-L673 WeakPolarHBondContact O-CG 3.31Å; L669-L673 PolarHBondContact O-N 3.47Å; S670-L673 PolarHBondContact O-N 3.42Å; N671-L673 VanDerWaalsContact C-N 3.34Å; L673-E677 PolarHBondContact O-N 2.9Å; L673-I678 HydrophobicContact CB-CB 4.03Å; L673-I678 HydrophobicContact CD2-CB 3.93Å; L673-I678 HydrophobicContact CD2-CD1 3.34Å; L673-I678 HydrophobicContact CD2-CG1 4.15Å; L673-I678 HydrophobicContact CD2-CG2 4Å; L673-I678 WeakPolarHBondContact O-CA 3.16Å; L673-I678 WeakPolarHBondContact O-CB 3.36Å; L673-I678 PolarHBondContact O-N 3.37Å; L673-F680 HydrophobicContact CD1-CD2 4.35Å; L673-F680 HydrophobicContact CD1-CE2 3.4Å; L673-F680 VanDerWaalsContact CD1-CE2 3.4Å; L673-F680 HydrophobicContact CD1-CZ 4.01Å
674	L	56.6	Low	53.3	Low	122 Å²	122	96.3 Å²	96.3	64%	0.639	49%	0.494	S	S	*	.	H	α-helix	trans	-70.8	-42.3	176.5	-134.7	137.7	0	0	0	112.3	S670 N671 Y672 H676 E677	S670-L674 WeakPolarHBondContact O-CB 3.35Å; S670-L674 PolarHBondContact O-N 2.86Å; N671-L674 CarbonylContact O-C 3.58Å; N671-L674 WeakPolarHBondContact O-CB 3.39Å; N671-L674 PolarHBondContact O-N 3Å; N671-L674 VanDerWaalsContact O-N 3.14Å; Y672-L674 VanDerWaalsContact C-N 3.28Å; Y672-L674 PolarHBondContact O-N 3.1Å; L674-H676 VanDerWaalsContact C-N 3.27Å; L674-H676 PolarHBondContact O-N 3.08Å; L674-E677 PolarHBondContact O-N 3.48Å
675	L	60.2	Low	53.1	Low	135 Å²	135	98.7 Å²	98.7	71%	0.707	51%	0.506	S	S	*	.	H	α-helix	trans	-61.4	-36.1	175.3	-87.1	152.7	0	0	0	111.7	N671 Y672	N671-L675 WeakPolarHBondContact O-CB 3.22Å; N671-L675 WeakPolarHBondContact O-CD1 3.28Å; N671-L675 WeakPolarHBondContact O-CG 3.45Å; N671-L675 PolarHBondContact O-N 3.36Å; Y672-L675 PolarHBondContact O-N 2.97Å
676	H	52.9	Low	52.5	Low	67 Å²	67	100.8 Å²	100.8	31%	0.31	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	19.8	178.4	-69.5	-75.7	0	0	0	113.8	R644 Y672 L674 I678	R644-H676 PolarHBondContact NH1-O 2.86Å; Y672-H676 AromaticContact CD1-CD2 3.91Å; Y672-H676 AromaticContact CD2-CD2 3.8Å; Y672-H676 AromaticContact CD2-NE2 3.94Å; Y672-H676 AromaticContact CE1-CD2 3.55Å; Y672-H676 AromaticContact CE2-CD2 3.45Å; Y672-H676 VanDerWaalsContact CE2-CD2 3.45Å; Y672-H676 WeakPolarHBondContact CE2-CD2 3.42Å; Y672-H676 AromaticContact CE2-NE2 3.26Å; Y672-H676 VanDerWaalsContact CE2-NE2 3.26Å; Y672-H676 WeakPolarHBondContact CE2-NE2 3.49Å; Y672-H676 AromaticContact CZ-CD2 3.29Å; Y672-H676 AromaticContact CZ-NE2 3.34Å; Y672-H676 VanDerWaalsContact CZ-NE2 3.34Å; Y672-H676 PolarHBondContact O-CD2 3.4Å; Y672-H676 VanDerWaalsContact O-CD2 3.23Å; Y672-H676 PolarHBondContact O-N 3.42Å; Y672-H676 PolarHBondContact OH-NE2 2.99Å; L674-H676 VanDerWaalsContact C-N 3.27Å; L674-H676 PolarHBondContact O-N 3.08Å; H676-I678 VanDerWaalsContact C-N 3.28Å; H676-I678 HydrophobicContact CB-CD1 4.48Å; H676-I678 PolarHBondContact O-N 3.26Å
677	E	44.5	Very low	52	Low	149 Å²	149	98.2 Å²	98.2	70%	0.696	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	38.7	176.8	-58.5	-174.7	161.8	0	0	114	R644 L673 L674	R644-E677 PolarHBondContact NH2-O 2.6Å; L673-E677 PolarHBondContact O-N 2.9Å; L674-E677 PolarHBondContact O-N 3.48Å
678	I	41.8	Very low	51.2	Low	37 Å²	37	97.4 Å²	97.4	19%	0.19	49%	0.493	C	S	.	.			trans	-95	95.4	172.5	-59.9	169	0	0	0	108.6	L673 H676	L673-I678 HydrophobicContact CB-CB 4.03Å; L673-I678 HydrophobicContact CD2-CB 3.93Å; L673-I678 HydrophobicContact CD2-CD1 3.34Å; L673-I678 HydrophobicContact CD2-CG1 4.15Å; L673-I678 HydrophobicContact CD2-CG2 4Å; L673-I678 WeakPolarHBondContact O-CA 3.16Å; L673-I678 WeakPolarHBondContact O-CB 3.36Å; L673-I678 PolarHBondContact O-N 3.37Å; H676-I678 VanDerWaalsContact C-N 3.28Å; H676-I678 HydrophobicContact CB-CD1 4.48Å; H676-I678 PolarHBondContact O-N 3.26Å
679	H	43.2	Very low	50.7	Low	163 Å²	163	99 Å²	99	76%	0.755	50%	0.503	S	S	*	.			trans	-86.9	116.3	171.9	-68.2	-72.6	0	0	0	111	A681	H679-A681 PolarHBondContact O-N 3.24Å
680	F	40.1	Very low	49.7	Very low	132 Å²	132	101.9 Å²	101.9	58%	0.579	52%	0.517	S	S	*	.			trans	-71.1	108.4	164.5	-77.2	-71.2	0	0	0	109.6	L673 H682	L673-F680 HydrophobicContact CD1-CD2 4.35Å; L673-F680 HydrophobicContact CD1-CE2 3.4Å; L673-F680 VanDerWaalsContact CD1-CE2 3.4Å; L673-F680 HydrophobicContact CD1-CZ 4.01Å; F680-H682 PolarHBondContact O-N 3.13Å; F680-H682 VanDerWaalsContact O-N 3.14Å
681	A	35.9	Very low	49	Very low	71 Å²	71	106.3 Å²	106.3	59%	0.587	53%	0.531	S	S	*	.			trans	-65.3	111.1	162.7	0	0	0	0	0	108.8	K636 H679	K636-A681 PolarHBondContact NZ-O 3.17Å; H679-A681 PolarHBondContact O-N 3.24Å
682	H	36.2	Very low	48.3	Very low	256 Å²	256	107.4 Å²	107.4	100%	1.185	53%	0.534	S	S	*	.			trans	-69.3	0	177.8	-122.8	-52.9	0	0	0	112.8	F680	F680-H682 PolarHBondContact O-N 3.13Å; F680-H682 VanDerWaalsContact O-N 3.14Å

Retrieved 682 of 682 residues in 972.9 ms (Link to these results)

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