A0A5K4F8C4_SCHMA Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F8C4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 700 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.4	Very low	36.6	Very low	159 Å²	159	89.9 Å²	89.9	78%	0.783	65%	0.647	S	S	*	*				0	-65.3	0	-70	-58	-81.1	0	0	111.8	C3 L4 S5 M69	M1-C3 VanDerWaalsContact C-N 3.32Å; M1-C3 PolarHBondContact O-N 3.48Å; M1-L4 PolarHBondContact O-N 3.47Å; M1-S5 PolarHBondContact O-N 3.15Å; M1-S5 PolarHBondContact O-OG 3.3Å; M1-M69 HydrophobicContact CG-CE 4.37Å; M1-M69 HydrophobicContact SD-CE 3.52Å; M1-M69 VanDerWaalsContact SD-CE 3.52Å
2	K	37.7	Very low	36.8	Very low	172 Å²	172	98.1 Å²	98.1	75%	0.748	67%	0.666	S	S	*	*	H	α-helix	trans	-48.9	-46.7	177.8	-90.7	-172.6	172.4	-172.5	0	113.8	L4 S5	K2-L4 VanDerWaalsContact C-N 3.3Å; K2-L4 PolarHBondContact O-N 3.5Å; K2-S5 PolarHBondContact O-N 3.22Å; K2-S5 VanDerWaalsContact O-N 3.16Å
3	C	38.2	Very low	37	Very low	67 Å²	67	95.4 Å²	95.4	45%	0.453	65%	0.648	S	S	.	*	H	α-helix	trans	-64.2	-28.8	179.2	-51.1	0	0	0	0	114.2	M1 S6	M1-C3 VanDerWaalsContact C-N 3.32Å; M1-C3 PolarHBondContact O-N 3.48Å; C3-S6 PolarHBondContact O-OG 3.38Å
4	L	39.5	Very low	37.4	Very low	102 Å²	102	97.9 Å²	97.9	53%	0.534	65%	0.645	S	S	.	*	H	α-helix	trans	-87.7	-19.4	177.2	-74.2	165.5	0	0	0	112.4	M1 K2 S6 G7 M69	M1-L4 PolarHBondContact O-N 3.47Å; K2-L4 VanDerWaalsContact C-N 3.3Å; K2-L4 PolarHBondContact O-N 3.5Å; L4-S6 PolarHBondContact O-N 3.06Å; L4-G7 PolarHBondContact O-N 3.26Å; L4-M69 HydrophobicContact CD1-CB 4.22Å; L4-M69 HydrophobicContact CD1-CE 3.35Å; L4-M69 HydrophobicContact CD1-SD 4.07Å
5	S	39.2	Very low	38	Very low	94 Å²	94	101.1 Å²	101.1	66%	0.657	65%	0.648	S	S	*	*	H	α-helix	trans	-70.9	-16.7	176.3	-61	0	0	0	0	113	M1 K2	M1-S5 PolarHBondContact O-N 3.15Å; M1-S5 PolarHBondContact O-OG 3.3Å; K2-S5 PolarHBondContact O-N 3.22Å; K2-S5 VanDerWaalsContact O-N 3.16Å
6	S	39.3	Very low	38.5	Very low	40 Å²	40	103.5 Å²	103.5	28%	0.28	65%	0.647	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.6	-13.8	175.2	75.9	0	0	0	0	114.3	C3 L4 G8 C13	C3-S6 PolarHBondContact O-OG 3.38Å; L4-S6 PolarHBondContact O-N 3.06Å; S6-G8 PolarHBondContact O-N 3.13Å; S6-C13 WeakPolarHBondContact CB-SG 3.42Å
7	G	37.1	Very low	39	Very low	74 Å²	74	102.5 Å²	102.5	76%	0.763	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	5	179.4	0	0	0	0	0	115.3	L4	L4-G7 PolarHBondContact O-N 3.26Å
8	G	35.1	Very low	39.4	Very low	78 Å²	78	101.6 Å²	101.6	80%	0.804	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.2	-8.8	-175.8	0	0	0	0	0	116.2	S6	S6-G8 PolarHBondContact O-N 3.13Å
9	G	33.4	Very low	39.9	Very low	58 Å²	58	102.8 Å²	102.8	60%	0.598	62%	0.621	S	S	*	*	S	Bend	trans	174.1	105.4	176.2	0	0	0	0	0	114.3	G11	G9-G11 PolarHBondContact O-N 3.08Å
10	G	33.9	Very low	40.6	Very low	94 Å²	94	104.8 Å²	104.8	97%	0.969	62%	0.623	S	S	*	*			trans	50.8	1.1	144.6	0	0	0	0	0	120.4	E12	G10-E12 PolarHBondContact O-N 3.35Å
11	G	36.5	Very low	41.2	Very low	51 Å²	51	101.8 Å²	101.8	53%	0.526	60%	0.604	S	S	.	*			trans	-84.9	108.8	171.4	0	0	0	0	0	107	G9 C13	G9-G11 PolarHBondContact O-N 3.08Å; G11-C13 PolarHBondContact O-N 3.31Å
12	E	39.8	Very low	42.4	Very low	188 Å²	188	99 Å²	99	88%	0.879	59%	0.592	S	S	*	*			trans	-46.6	95.1	157.6	-66.5	170.4	163.4	0	0	107	G10 E14	G10-E12 PolarHBondContact O-N 3.35Å; E12-E14 VanDerWaalsContact C-N 3.3Å; E12-E14 PolarHBondContact O-N 3.28Å; E12-E14 VanDerWaalsContact O-N 3.08Å
13	C	38.7	Very low	43.7	Very low	63 Å²	63	93.6 Å²	93.6	43%	0.426	58%	0.58	S	S	.	*			trans	-69.3	106	159.7	-76	0	0	0	0	103.3	S6 G11 E15	S6-C13 WeakPolarHBondContact CB-SG 3.42Å; G11-C13 PolarHBondContact O-N 3.31Å; C13-E15 PolarHBondContact O-N 3.46Å; C13-E15 VanDerWaalsContact O-N 3.08Å
14	E	43.4	Very low	45.2	Very low	131 Å²	131	94.9 Å²	94.9	61%	0.612	58%	0.579	S	S	*	*			trans	-48.2	122.7	175.6	-64.8	-169.7	168.1	0	0	106.9	E12 H16 D17	E12-E14 VanDerWaalsContact C-N 3.3Å; E12-E14 PolarHBondContact O-N 3.28Å; E12-E14 VanDerWaalsContact O-N 3.08Å; E14-H16 HydrophobicContact CB-CB 4.3Å; E14-H16 PolarHBondContact O-N 3.05Å; E14-D17 PolarHBondContact O-N 3.48Å
15	E	45.7	Very low	46.2	Very low	146 Å²	146	97.3 Å²	97.3	68%	0.682	58%	0.582	S	S	*	*	H	α-helix	trans	-51.5	-21.2	179.1	-154.5	172.7	-168.3	0	0	111.5	C13 E18 Q19	C13-E15 PolarHBondContact O-N 3.46Å; C13-E15 VanDerWaalsContact O-N 3.08Å; E15-E18 PolarHBondContact O-N 3.26Å; E15-Q19 PolarHBondContact O-N 3.06Å
16	H	45.6	Very low	47.2	Very low	139 Å²	139	98 Å²	98	64%	0.644	58%	0.578	S	S	*	*	H	α-helix	trans	-56.7	-42.9	168.2	-86.4	-72.4	0	0	0	114.5	E14 E18 Q19 E20	E14-H16 HydrophobicContact CB-CB 4.3Å; E14-H16 PolarHBondContact O-N 3.05Å; H16-E18 PolarHBondContact O-N 3.36Å; H16-Q19 PolarHBondContact O-N 3.5Å; H16-E20 WeakPolarHBondContact O-CB 3.19Å; H16-E20 PolarHBondContact O-N 3.12Å
17	D	47.9	Very low	48.8	Very low	87 Å²	87	102.6 Å²	102.6	47%	0.465	60%	0.595	S	S	.	*	H	α-helix	trans	-68.1	-36.2	179.9	-84.2	-12.9	0	0	0	111.4	E14 I21	E14-D17 PolarHBondContact O-N 3.48Å; D17-I21 VanDerWaalsContact O-CB 3.24Å; D17-I21 WeakPolarHBondContact O-CB 3.49Å; D17-I21 WeakPolarHBondContact O-CD1 3.5Å; D17-I21 WeakPolarHBondContact O-CG1 3.34Å; D17-I21 PolarHBondContact O-N 3.3Å
18	E	45.9	Very low	50.4	Low	86 Å²	86	104.3 Å²	104.3	40%	0.402	58%	0.582	S	S	.	*	H	α-helix	trans	-68.1	-43.2	178.1	-69.2	-162	159.4	0	0	111.9	E15 H16 N22	E15-E18 PolarHBondContact O-N 3.26Å; H16-E18 PolarHBondContact O-N 3.36Å; E18-N22 VanDerWaalsContact O-CB 3.26Å; E18-N22 WeakPolarHBondContact O-CB 3.35Å; E18-N22 PolarHBondContact O-N 3.27Å; E18-N22 PolarHBondContact O-ND2 3.46Å; E18-N22 VanDerWaalsContact O-ND2 3.14Å
19	Q	48.5	Very low	51.7	Low	125 Å²	125	105 Å²	105	58%	0.584	56%	0.563	S	S	*	*	H	α-helix	trans	-65.8	-42.2	177.8	-70	-178.8	9.6	0	0	111.5	E15 H16 N22 A23	E15-Q19 PolarHBondContact O-N 3.06Å; H16-Q19 PolarHBondContact O-N 3.5Å; Q19-N22 PolarHBondContact O-N 3.21Å; Q19-A23 VanDerWaalsContact O-CB 3.29Å; Q19-A23 WeakPolarHBondContact O-CB 3.39Å; Q19-A23 PolarHBondContact O-N 3.18Å
20	E	54.8	Low	53.2	Low	141 Å²	141	105 Å²	105	66%	0.659	55%	0.551	S	S	*	*	H	α-helix	trans	-69.4	-41.6	-179.2	-160.2	171.6	-152.1	0	0	111.7	H16 A23 E24	H16-E20 WeakPolarHBondContact O-CB 3.19Å; H16-E20 PolarHBondContact O-N 3.12Å; E20-A23 PolarHBondContact O-N 3.34Å; E20-E24 WeakPolarHBondContact O-CB 3.5Å; E20-E24 PolarHBondContact O-N 2.92Å
21	I	53.4	Low	54.9	Low	43 Å²	43	106.9 Å²	106.9	22%	0.221	53%	0.533	C	S	.	.	H	α-helix	trans	-62.8	-47	174.4	-70.5	169.8	0	0	0	110.6	D17 A23 E24 Y25	D17-I21 VanDerWaalsContact O-CB 3.24Å; D17-I21 WeakPolarHBondContact O-CB 3.49Å; D17-I21 WeakPolarHBondContact O-CD1 3.5Å; D17-I21 WeakPolarHBondContact O-CG1 3.34Å; D17-I21 PolarHBondContact O-N 3.3Å; I21-A23 VanDerWaalsContact C-N 3.33Å; I21-A23 PolarHBondContact O-N 3.36Å; I21-E24 PolarHBondContact O-N 3.43Å; I21-Y25 HydrophobicContact CG2-CD2 3.5Å; I21-Y25 HydrophobicContact CG2-CE2 3.51Å; I21-Y25 VanDerWaalsContact O-CD2 3.22Å; I21-Y25 WeakPolarHBondContact O-CD2 3.49Å; I21-Y25 PolarHBondContact O-N 3.45Å
22	N	57.3	Low	56	Low	100 Å²	100	109.9 Å²	109.9	54%	0.535	53%	0.534	S	S	.	.	H	α-helix	trans	-62.7	-41.1	179.2	-77	-28	0	0	0	111.8	E18 Q19 L26	E18-N22 VanDerWaalsContact O-CB 3.26Å; E18-N22 WeakPolarHBondContact O-CB 3.35Å; E18-N22 PolarHBondContact O-N 3.27Å; E18-N22 PolarHBondContact O-ND2 3.46Å; E18-N22 VanDerWaalsContact O-ND2 3.14Å; Q19-N22 PolarHBondContact O-N 3.21Å; N22-L26 WeakPolarHBondContact O-CB 3.4Å; N22-L26 PolarHBondContact O-N 3.5Å
23	A	63.7	Low	57	Low	59 Å²	59	105.2 Å²	105.2	49%	0.488	51%	0.514	S	S	.	.	H	α-helix	trans	-62.4	-45.1	175.3	0	0	0	0	0	111.7	Q19 E20 I21 L26 E27	Q19-A23 VanDerWaalsContact O-CB 3.29Å; Q19-A23 WeakPolarHBondContact O-CB 3.39Å; Q19-A23 PolarHBondContact O-N 3.18Å; E20-A23 PolarHBondContact O-N 3.34Å; I21-A23 VanDerWaalsContact C-N 3.33Å; I21-A23 PolarHBondContact O-N 3.36Å; A23-L26 PolarHBondContact O-N 3.15Å; A23-E27 WeakPolarHBondContact O-CB 3.16Å; A23-E27 PolarHBondContact O-N 3.43Å
24	E	70.3	Confident	58.2	Low	94 Å²	94	108.7 Å²	108.7	44%	0.439	52%	0.522	S	S	.	.	H	α-helix	trans	-64.3	-43.4	179.2	-165.6	-164.4	165.3	0	0	112	E20 I21 E27 K28	E20-E24 WeakPolarHBondContact O-CB 3.5Å; E20-E24 PolarHBondContact O-N 2.92Å; I21-E24 PolarHBondContact O-N 3.43Å; E24-E27 PolarHBondContact O-N 3.33Å; E24-K28 HydrophobicContact CG-CD 4.46Å; E24-K28 WeakPolarHBondContact O-CB 3.2Å; E24-K28 WeakPolarHBondContact O-CG 3.48Å; E24-K28 PolarHBondContact O-N 2.99Å; E24-K28 VanDerWaalsContact OE1-CE 3.26Å; E24-K28 WeakPolarHBondContact OE1-CE 3.44Å; E24-K28 IonicContact OE1-NZ 3.18Å; E24-K28 PolarHBondContact OE1-NZ 3.06Å
25	Y	60	Low	59.1	Low	152 Å²	152	106.7 Å²	106.7	60%	0.596	52%	0.516	S	S	*	.	H	α-helix	trans	-65.8	-41.6	176.3	-85.3	-74	0	0	0	111.9	I21 E27 K28 F29	I21-Y25 HydrophobicContact CG2-CD2 3.5Å; I21-Y25 HydrophobicContact CG2-CE2 3.51Å; I21-Y25 VanDerWaalsContact O-CD2 3.22Å; I21-Y25 WeakPolarHBondContact O-CD2 3.49Å; I21-Y25 PolarHBondContact O-N 3.45Å; Y25-E27 VanDerWaalsContact C-N 3.34Å; Y25-K28 PolarHBondContact O-N 3.2Å; Y25-F29 WeakPolarHBondContact O-CB 3.5Å; Y25-F29 PolarHBondContact O-N 3.04Å
26	L	60.9	Low	59.8	Low	110 Å²	110	102.2 Å²	102.2	58%	0.576	50%	0.504	S	S	*	.	H	α-helix	trans	-65.4	-38.7	177.3	-173.1	63.7	0	0	0	111.5	N22 A23 F29 T30	N22-L26 WeakPolarHBondContact O-CB 3.4Å; N22-L26 PolarHBondContact O-N 3.5Å; A23-L26 PolarHBondContact O-N 3.15Å; L26-F29 PolarHBondContact O-N 3.46Å; L26-T30 VanDerWaalsContact O-CB 3.31Å; L26-T30 WeakPolarHBondContact O-CB 3.42Å; L26-T30 PolarHBondContact O-N 3.04Å; L26-T30 PolarHBondContact O-OG1 3.09Å
27	E	72.4	Confident	60.4	Low	135 Å²	135	98.7 Å²	98.7	63%	0.631	50%	0.495	S	S	*	.	H	α-helix	trans	-63.8	-46.4	174.4	-168.7	-172.3	165.1	0	0	111.1	A23 E24 Y25 F29 T30 K31	A23-E27 WeakPolarHBondContact O-CB 3.16Å; A23-E27 PolarHBondContact O-N 3.43Å; E24-E27 PolarHBondContact O-N 3.33Å; Y25-E27 VanDerWaalsContact C-N 3.34Å; E27-F29 VanDerWaalsContact C-N 3.34Å; E27-F29 PolarHBondContact O-N 3.13Å; E27-T30 PolarHBondContact O-N 2.93Å; E27-K31 WeakPolarHBondContact O-CB 3.4Å; E27-K31 PolarHBondContact O-N 3.42Å
28	K	70.8	Confident	60.9	Low	111 Å²	111	100 Å²	100	48%	0.483	50%	0.5	S	S	.	.	H	α-helix	trans	-59.8	-43.7	175.9	-78	170.5	173.7	166.8	0	111.9	E24 Y25 K31 M32	E24-K28 HydrophobicContact CG-CD 4.46Å; E24-K28 WeakPolarHBondContact O-CB 3.2Å; E24-K28 WeakPolarHBondContact O-CG 3.48Å; E24-K28 PolarHBondContact O-N 2.99Å; E24-K28 VanDerWaalsContact OE1-CE 3.26Å; E24-K28 WeakPolarHBondContact OE1-CE 3.44Å; E24-K28 IonicContact OE1-NZ 3.18Å; E24-K28 PolarHBondContact OE1-NZ 3.06Å; Y25-K28 PolarHBondContact O-N 3.2Å; K28-K31 PolarHBondContact O-N 3.36Å; K28-M32 WeakPolarHBondContact O-CB 3.12Å; K28-M32 PolarHBondContact O-N 3.4Å
29	F	63	Low	61.5	Low	92 Å²	92	100.7 Å²	100.7	40%	0.404	51%	0.506	S	S	.	.	H	α-helix	trans	-64.6	-45.7	177.1	-176	-107.9	0	0	0	111.6	Y25 L26 E27 K31 M32 I33	Y25-F29 WeakPolarHBondContact O-CB 3.5Å; Y25-F29 PolarHBondContact O-N 3.04Å; L26-F29 PolarHBondContact O-N 3.46Å; E27-F29 VanDerWaalsContact C-N 3.34Å; E27-F29 PolarHBondContact O-N 3.13Å; F29-K31 VanDerWaalsContact C-N 3.29Å; F29-K31 PolarHBondContact O-N 3.11Å; F29-M32 WeakPolarHBondContact O-CA 3.34Å; F29-M32 VanDerWaalsContact O-CB 3.3Å; F29-M32 WeakPolarHBondContact O-CB 3.45Å; F29-M32 PolarHBondContact O-N 2.83Å; F29-M32 VanDerWaalsContact O-N 3.09Å; F29-I33 HydrophobicContact CD1-CD1 3.75Å; F29-I33 HydrophobicContact CE1-CD1 3.28Å; F29-I33 HydrophobicContact CE1-CG1 4.24Å; F29-I33 HydrophobicContact CE2-CD1 4.48Å; F29-I33 HydrophobicContact CZ-CD1 3.7Å; F29-I33 HydrophobicContact CZ-CG1 4.33Å; F29-I33 PolarHBondContact O-N 3.45Å
30	T	65.5	Low	62	Low	58 Å²	58	95.9 Å²	95.9	36%	0.356	49%	0.487	S	S	.	.	H	α-helix	trans	-58.8	-42	175.3	-59.3	0	0	0	0	111.4	L26 E27 M32 I33 K34	L26-T30 VanDerWaalsContact O-CB 3.31Å; L26-T30 WeakPolarHBondContact O-CB 3.42Å; L26-T30 PolarHBondContact O-N 3.04Å; L26-T30 PolarHBondContact O-OG1 3.09Å; E27-T30 PolarHBondContact O-N 2.93Å; T30-M32 VanDerWaalsContact C-N 3.35Å; T30-I33 PolarHBondContact O-N 3.32Å; T30-K34 HydrophobicContact CG2-CD 4.44Å; T30-K34 WeakPolarHBondContact O-CG 3.46Å; T30-K34 PolarHBondContact O-N 2.8Å
31	K	68.8	Low	62.1	Low	133 Å²	133	95.8 Å²	95.8	58%	0.578	49%	0.491	S	S	*	.	H	α-helix	trans	-65.4	-38.4	176.1	-167	171.5	-173.8	171.8	0	111.9	E27 K28 F29 K34 N35	E27-K31 WeakPolarHBondContact O-CB 3.4Å; E27-K31 PolarHBondContact O-N 3.42Å; K28-K31 PolarHBondContact O-N 3.36Å; F29-K31 VanDerWaalsContact C-N 3.29Å; F29-K31 PolarHBondContact O-N 3.11Å; K31-K34 PolarHBondContact O-N 3.31Å; K31-N35 WeakPolarHBondContact O-CB 3.45Å; K31-N35 VanDerWaalsContact O-CG 3.23Å; K31-N35 PolarHBondContact O-N 3.42Å; K31-N35 PolarHBondContact O-ND2 3.04Å
32	M	60.3	Low	62.5	Low	114 Å²	114	103.8 Å²	103.8	56%	0.562	52%	0.519	S	S	*	.	H	α-helix	trans	-61.4	-46.1	173.8	-168.3	-170.9	-50.7	0	0	111.4	K28 F29 T30 N35 A36	K28-M32 WeakPolarHBondContact O-CB 3.12Å; K28-M32 PolarHBondContact O-N 3.4Å; F29-M32 WeakPolarHBondContact O-CA 3.34Å; F29-M32 VanDerWaalsContact O-CB 3.3Å; F29-M32 WeakPolarHBondContact O-CB 3.45Å; F29-M32 PolarHBondContact O-N 2.83Å; F29-M32 VanDerWaalsContact O-N 3.09Å; T30-M32 VanDerWaalsContact C-N 3.35Å; M32-N35 PolarHBondContact O-N 3.14Å; M32-A36 WeakPolarHBondContact O-CB 3.44Å; M32-A36 PolarHBondContact O-N 3.09Å
33	I	60.9	Low	62.6	Low	90 Å²	90	102 Å²	102	46%	0.462	51%	0.509	S	S	.	.	H	α-helix	trans	-62.6	-46.1	176.8	-68.3	173.6	0	0	0	111.1	F29 T30 N35 A36 S37	F29-I33 HydrophobicContact CD1-CD1 3.75Å; F29-I33 HydrophobicContact CE1-CD1 3.28Å; F29-I33 HydrophobicContact CE1-CG1 4.24Å; F29-I33 HydrophobicContact CE2-CD1 4.48Å; F29-I33 HydrophobicContact CZ-CD1 3.7Å; F29-I33 HydrophobicContact CZ-CG1 4.33Å; F29-I33 PolarHBondContact O-N 3.45Å; T30-I33 PolarHBondContact O-N 3.32Å; I33-N35 VanDerWaalsContact C-N 3.33Å; I33-N35 PolarHBondContact O-N 3.29Å; I33-A36 CarbonylContact O-C 3.55Å; I33-A36 WeakPolarHBondContact O-CB 3.43Å; I33-A36 PolarHBondContact O-N 2.71Å; I33-A36 VanDerWaalsContact O-N 3.16Å; I33-S37 PolarHBondContact O-N 3.18Å
34	K	64.2	Low	62.5	Low	136 Å²	136	102.2 Å²	102.2	59%	0.591	51%	0.507	S	S	*	.	H	α-helix	trans	-58.6	-46	177	-75.5	177.5	180	176.7	0	111.3	T30 K31 A36 S37 M38	T30-K34 HydrophobicContact CG2-CD 4.44Å; T30-K34 WeakPolarHBondContact O-CG 3.46Å; T30-K34 PolarHBondContact O-N 2.8Å; K31-K34 PolarHBondContact O-N 3.31Å; K34-A36 VanDerWaalsContact C-N 3.34Å; K34-A36 PolarHBondContact O-N 3.34Å; K34-S37 PolarHBondContact O-N 3.15Å; K34-S37 PolarHBondContact O-OG 2.71Å; K34-M38 WeakPolarHBondContact O-CG 3.15Å; K34-M38 PolarHBondContact O-N 3.08Å
35	N	61.3	Low	61.8	Low	89 Å²	89	102.5 Å²	102.5	48%	0.476	52%	0.519	S	S	.	.	H	α-helix	trans	-63.6	-39.2	175.9	-72.2	-15.3	0	0	0	112.1	K31 M32 I33 M38 L39	K31-N35 WeakPolarHBondContact O-CB 3.45Å; K31-N35 VanDerWaalsContact O-CG 3.23Å; K31-N35 PolarHBondContact O-N 3.42Å; K31-N35 PolarHBondContact O-ND2 3.04Å; M32-N35 PolarHBondContact O-N 3.14Å; I33-N35 VanDerWaalsContact C-N 3.33Å; I33-N35 PolarHBondContact O-N 3.29Å; N35-M38 WeakPolarHBondContact O-CB 3.33Å; N35-M38 PolarHBondContact O-N 3.25Å; N35-L39 WeakPolarHBondContact O-CB 3.29Å; N35-L39 WeakPolarHBondContact O-CD1 3.47Å; N35-L39 WeakPolarHBondContact O-CG 3.41Å; N35-L39 PolarHBondContact O-N 2.95Å
36	A	60.1	Low	61.3	Low	53 Å²	53	99.2 Å²	99.2	44%	0.438	51%	0.512	S	S	.	.	H	α-helix	trans	-64.2	-40	174.8	0	0	0	0	0	111.7	M32 I33 K34 M38 L39 A40	M32-A36 WeakPolarHBondContact O-CB 3.44Å; M32-A36 PolarHBondContact O-N 3.09Å; I33-A36 CarbonylContact O-C 3.55Å; I33-A36 WeakPolarHBondContact O-CB 3.43Å; I33-A36 PolarHBondContact O-N 2.71Å; I33-A36 VanDerWaalsContact O-N 3.16Å; K34-A36 VanDerWaalsContact C-N 3.34Å; K34-A36 PolarHBondContact O-N 3.34Å; A36-M38 PolarHBondContact O-N 3.08Å; A36-L39 PolarHBondContact O-N 3.12Å; A36-A40 VanDerWaalsContact O-CB 3.28Å; A36-A40 WeakPolarHBondContact O-CB 3.23Å; A36-A40 PolarHBondContact O-N 2.89Å
37	S	59.4	Low	61.3	Low	64 Å²	64	99 Å²	99	45%	0.448	51%	0.508	S	S	.	.	H	α-helix	trans	-64.5	-38.6	175.2	80.7	0	0	0	0	112.4	I33 K34 A40 N41	I33-S37 PolarHBondContact O-N 3.18Å; K34-S37 PolarHBondContact O-N 3.15Å; K34-S37 PolarHBondContact O-OG 2.71Å; S37-A40 WeakPolarHBondContact O-CB 3.34Å; S37-A40 PolarHBondContact O-N 3.37Å; S37-N41 PolarHBondContact O-N 3.17Å
38	M	57.6	Low	60.6	Low	116 Å²	116	95.1 Å²	95.1	57%	0.571	49%	0.491	S	S	*	.	H	α-helix	trans	-65.2	-42.3	174.1	-75.1	-102.2	-51.3	0	0	111.8	K34 N35 A36	K34-M38 WeakPolarHBondContact O-CG 3.15Å; K34-M38 PolarHBondContact O-N 3.08Å; N35-M38 WeakPolarHBondContact O-CB 3.33Å; N35-M38 PolarHBondContact O-N 3.25Å; A36-M38 PolarHBondContact O-N 3.08Å
39	L	58.8	Low	60.1	Low	100 Å²	100	93.9 Å²	93.9	52%	0.524	49%	0.49	S	S	.	.	H	α-helix	trans	-66.6	-40.7	175.8	-79.8	158	0	0	0	111	N35 A36 N41 R42 L43	N35-L39 WeakPolarHBondContact O-CB 3.29Å; N35-L39 WeakPolarHBondContact O-CD1 3.47Å; N35-L39 WeakPolarHBondContact O-CG 3.41Å; N35-L39 PolarHBondContact O-N 2.95Å; A36-L39 PolarHBondContact O-N 3.12Å; L39-N41 VanDerWaalsContact C-N 3.26Å; L39-N41 PolarHBondContact O-N 3.21Å; L39-R42 CarbonylContact O-C 3.56Å; L39-R42 WeakPolarHBondContact O-CA 3.27Å; L39-R42 WeakPolarHBondContact O-CB 3.5Å; L39-R42 PolarHBondContact O-N 2.94Å; L39-L43 HydrophobicContact CB-CD1 4.49Å; L39-L43 VanDerWaalsContact O-CG 3.26Å; L39-L43 WeakPolarHBondContact O-CG 3.18Å; L39-L43 PolarHBondContact O-N 3.38Å; L39-L43 VanDerWaalsContact O-N 3.07Å
40	A	58	Low	59.9	Low	24 Å²	24	91.5 Å²	91.5	20%	0.198	48%	0.484	C	S	.	.	H	α-helix	trans	-53.9	-41.9	177.8	0	0	0	0	0	112.6	A36 S37 R42 L43 L48	A36-A40 VanDerWaalsContact O-CB 3.28Å; A36-A40 WeakPolarHBondContact O-CB 3.23Å; A36-A40 PolarHBondContact O-N 2.89Å; S37-A40 WeakPolarHBondContact O-CB 3.34Å; S37-A40 PolarHBondContact O-N 3.37Å; A40-R42 PolarHBondContact O-N 3.37Å; A40-L43 PolarHBondContact O-N 3.38Å; A40-L43 VanDerWaalsContact O-N 3.16Å; A40-L48 HydrophobicContact CB-CD1 3.35Å; A40-L48 WeakPolarHBondContact O-CD1 3.3Å
41	N	58.2	Low	59.7	Low	139 Å²	139	90.7 Å²	90.7	74%	0.743	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-18.6	176.4	-68	-19.9	0	0	0	113.9	S37 L39	S37-N41 PolarHBondContact O-N 3.17Å; L39-N41 VanDerWaalsContact C-N 3.26Å; L39-N41 PolarHBondContact O-N 3.21Å
42	R	60.4	Low	59.4	Low	210 Å²	210	90.1 Å²	90.1	79%	0.792	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-11.5	176.6	-64.5	-177.9	172.3	177.5	-2	113.1	L39 A40	L39-R42 CarbonylContact O-C 3.56Å; L39-R42 WeakPolarHBondContact O-CA 3.27Å; L39-R42 WeakPolarHBondContact O-CB 3.5Å; L39-R42 PolarHBondContact O-N 2.94Å; A40-R42 PolarHBondContact O-N 3.37Å
43	L	59.7	Low	59.5	Low	62 Å²	62	90.1 Å²	90.1	33%	0.325	48%	0.48	S	S	.	.	S	Bend	trans	-89.2	136.8	-177.9	-70.2	166.5	0	0	0	109.4	L39 A40 Q47 A51	L39-L43 HydrophobicContact CB-CD1 4.49Å; L39-L43 VanDerWaalsContact O-CG 3.26Å; L39-L43 WeakPolarHBondContact O-CG 3.18Å; L39-L43 PolarHBondContact O-N 3.38Å; L39-L43 VanDerWaalsContact O-N 3.07Å; A40-L43 PolarHBondContact O-N 3.38Å; A40-L43 VanDerWaalsContact O-N 3.16Å; L43-Q47 HydrophobicContact CB-CB 3.83Å; L43-Q47 HydrophobicContact CD2-CB 3.62Å; L43-Q47 HydrophobicContact CD2-CG 4.38Å; L43-Q47 HydrophobicContact CG-CB 4.2Å; L43-A51 HydrophobicContact CD1-CB 4.34Å
44	S	61.6	Low	59.8	Low	64 Å²	64	91.4 Å²	91.4	45%	0.448	49%	0.487	S	S	.	.			trans	-59.6	154.8	165	69.9	0	0	0	0	109.9	N46 Q47 L48	S44-N46 PolarHBondContact O-N 3.44Å; S44-Q47 WeakPolarHBondContact O-CA 3.46Å; S44-Q47 WeakPolarHBondContact O-CB 3.44Å; S44-Q47 PolarHBondContact O-N 2.99Å; S44-Q47 VanDerWaalsContact OG-CG 3.3Å; S44-Q47 WeakPolarHBondContact OG-CG 3.42Å; S44-L48 PolarHBondContact O-N 3.32Å
45	S	56.8	Low	60.1	Low	100 Å²	100	87.5 Å²	87.5	70%	0.699	48%	0.476	S	S	*	.	H	α-helix	trans	-50.9	-32.1	-178.7	-48.6	0	0	0	0	113.6	L49	S45-L49 PolarHBondContact O-N 3.49Å
46	N	49.7	Very low	60.3	Low	84 Å²	84	86.7 Å²	86.7	45%	0.449	47%	0.469	S	S	.	.	H	α-helix	trans	-71.3	-39.5	177.2	-62	-27	0	0	0	112.6	S44 L49 S50 T362	S44-N46 PolarHBondContact O-N 3.44Å; N46-L49 PolarHBondContact O-N 3.43Å; N46-S50 PolarHBondContact O-N 2.81Å; N46-S50 PolarHBondContact O-OG 2.84Å; N46-T362 HydrophobicContact CB-CG2 3.93Å; N46-T362 VanDerWaalsContact CG-CG2 3.41Å; N46-T362 WeakPolarHBondContact OD1-CB 3.32Å; N46-T362 WeakPolarHBondContact OD1-CG2 3.45Å
47	Q	59.8	Low	60.6	Low	105 Å²	105	89.4 Å²	89.4	49%	0.491	47%	0.472	S	S	.	.	H	α-helix	trans	-72.3	-35.5	178.7	-65.8	-71	-21.1	0	0	111.2	L43 S44 S50 A51	L43-Q47 HydrophobicContact CB-CB 3.83Å; L43-Q47 HydrophobicContact CD2-CB 3.62Å; L43-Q47 HydrophobicContact CD2-CG 4.38Å; L43-Q47 HydrophobicContact CG-CB 4.2Å; S44-Q47 WeakPolarHBondContact O-CA 3.46Å; S44-Q47 WeakPolarHBondContact O-CB 3.44Å; S44-Q47 PolarHBondContact O-N 2.99Å; S44-Q47 VanDerWaalsContact OG-CG 3.3Å; S44-Q47 WeakPolarHBondContact OG-CG 3.42Å; Q47-S50 WeakPolarHBondContact CA-OG 3.46Å; Q47-S50 PolarHBondContact O-N 2.89Å; Q47-S50 PolarHBondContact O-OG 2.94Å; Q47-A51 WeakPolarHBondContact O-CB 3.44Å; Q47-A51 PolarHBondContact O-N 2.86Å
48	L	58.2	Low	61.1	Low	54 Å²	54	90.9 Å²	90.9	28%	0.283	48%	0.475	S	S	.	.	H	α-helix	trans	-59.4	-45.6	172.1	-165.7	104.8	0	0	0	111	A40 S44 A51 F52	A40-L48 HydrophobicContact CB-CD1 3.35Å; A40-L48 WeakPolarHBondContact O-CD1 3.3Å; S44-L48 PolarHBondContact O-N 3.32Å; L48-A51 WeakPolarHBondContact O-CB 3.28Å; L48-A51 PolarHBondContact O-N 3.03Å; L48-F52 HydrophobicContact CD1-CE2 4.4Å; L48-F52 HydrophobicContact CD2-CD2 4.02Å; L48-F52 HydrophobicContact CD2-CE2 3.52Å; L48-F52 HydrophobicContact CG-CD2 3.96Å; L48-F52 HydrophobicContact CG-CE2 3.62Å; L48-F52 WeakPolarHBondContact O-CD2 3.39Å; L48-F52 PolarHBondContact O-N 3.29Å
49	L	59.2	Low	61.3	Low	85 Å²	85	88.6 Å²	88.6	45%	0.445	46%	0.463	S	S	.	.	H	α-helix	trans	-64.6	-43.9	178.3	-173.8	65.6	0	0	0	112.3	S45 N46 A51 F52 Q53	S45-L49 PolarHBondContact O-N 3.49Å; N46-L49 PolarHBondContact O-N 3.43Å; L49-A51 VanDerWaalsContact C-N 3.29Å; L49-A51 PolarHBondContact O-N 3.39Å; L49-F52 PolarHBondContact O-N 3.41Å; L49-Q53 WeakPolarHBondContact O-CG 3.26Å; L49-Q53 PolarHBondContact O-N 3.23Å
50	S	59.5	Low	61.5	Low	41 Å²	41	88.9 Å²	88.9	29%	0.287	46%	0.462	S	S	.	.	H	α-helix	trans	-63.1	-37.2	174.2	51.7	0	0	0	0	112.1	N46 Q47 Q53 I54	N46-S50 PolarHBondContact O-N 2.81Å; N46-S50 PolarHBondContact O-OG 2.84Å; Q47-S50 WeakPolarHBondContact CA-OG 3.46Å; Q47-S50 PolarHBondContact O-N 2.89Å; Q47-S50 PolarHBondContact O-OG 2.94Å; S50-Q53 PolarHBondContact O-N 2.99Å; S50-I54 VanDerWaalsContact O-CG1 3.27Å; S50-I54 WeakPolarHBondContact O-CG1 3.44Å; S50-I54 PolarHBondContact O-N 3.05Å
51	A	61.4	Low	61.8	Low	42 Å²	42	95.2 Å²	95.2	35%	0.347	49%	0.485	S	S	.	.	H	α-helix	trans	-63.6	-43	174.5	0	0	0	0	0	111.2	L43 Q47 L48 L49 Q53 I54 S55	L43-A51 HydrophobicContact CD1-CB 4.34Å; Q47-A51 WeakPolarHBondContact O-CB 3.44Å; Q47-A51 PolarHBondContact O-N 2.86Å; L48-A51 WeakPolarHBondContact O-CB 3.28Å; L48-A51 PolarHBondContact O-N 3.03Å; L49-A51 VanDerWaalsContact C-N 3.29Å; L49-A51 PolarHBondContact O-N 3.39Å; A51-Q53 PolarHBondContact O-N 2.93Å; A51-I54 PolarHBondContact O-N 3.25Å; A51-S55 PolarHBondContact O-N 3.23Å; A51-S55 PolarHBondContact O-OG 3.16Å
52	F	62.2	Low	62.3	Low	121 Å²	121	92.2 Å²	92.2	53%	0.531	47%	0.468	S	S	.	.	H	α-helix	trans	-62.1	-41.5	174.6	-82	-62.3	0	0	0	112.8	L48 L49 S55 F56	L48-F52 HydrophobicContact CD1-CE2 4.4Å; L48-F52 HydrophobicContact CD2-CD2 4.02Å; L48-F52 HydrophobicContact CD2-CE2 3.52Å; L48-F52 HydrophobicContact CG-CD2 3.96Å; L48-F52 HydrophobicContact CG-CE2 3.62Å; L48-F52 WeakPolarHBondContact O-CD2 3.39Å; L48-F52 PolarHBondContact O-N 3.29Å; L49-F52 PolarHBondContact O-N 3.41Å; F52-S55 VanDerWaalsContact CA-OG 3.26Å; F52-S55 WeakPolarHBondContact CA-OG 3.4Å; F52-S55 PolarHBondContact O-N 2.87Å; F52-S55 PolarHBondContact O-OG 3.47Å; F52-F56 WeakPolarHBondContact O-CB 3.42Å; F52-F56 PolarHBondContact O-N 3Å
53	Q	62	Low	62.4	Low	113 Å²	113	83.4 Å²	83.4	53%	0.528	44%	0.438	S	S	.	.	H	α-helix	trans	-62.8	-44.7	175.7	-74.2	178.4	-36.9	0	0	111.8	L49 S50 A51 F56 H57	L49-Q53 WeakPolarHBondContact O-CG 3.26Å; L49-Q53 PolarHBondContact O-N 3.23Å; S50-Q53 PolarHBondContact O-N 2.99Å; A51-Q53 PolarHBondContact O-N 2.93Å; Q53-F56 PolarHBondContact O-N 3.09Å; Q53-H57 PolarHBondContact O-CD2 3.29Å; Q53-H57 PolarHBondContact O-N 3.21Å
54	I	67.5	Low	62.4	Low	118 Å²	118	86.8 Å²	86.8	61%	0.605	45%	0.451	S	S	*	.	H	α-helix	trans	-62.6	-44	176	-66.6	164.5	0	0	0	110.3	S50 A51 F56 H57 L58	S50-I54 VanDerWaalsContact O-CG1 3.27Å; S50-I54 WeakPolarHBondContact O-CG1 3.44Å; S50-I54 PolarHBondContact O-N 3.05Å; A51-I54 PolarHBondContact O-N 3.25Å; I54-F56 VanDerWaalsContact C-N 3.32Å; I54-F56 PolarHBondContact O-N 3.44Å; I54-H57 PolarHBondContact O-N 3.47Å; I54-L58 WeakPolarHBondContact O-CB 3.44Å; I54-L58 PolarHBondContact O-N 3.5Å
55	S	69.9	Low	62.3	Low	54 Å²	54	87.8 Å²	87.8	38%	0.378	45%	0.454	S	S	.	.	H	α-helix	trans	-63.1	-38.5	177.5	59.8	0	0	0	0	112.3	A51 F52 L58 M59	A51-S55 PolarHBondContact O-N 3.23Å; A51-S55 PolarHBondContact O-OG 3.16Å; F52-S55 VanDerWaalsContact CA-OG 3.26Å; F52-S55 WeakPolarHBondContact CA-OG 3.4Å; F52-S55 PolarHBondContact O-N 2.87Å; F52-S55 PolarHBondContact O-OG 3.47Å; S55-L58 PolarHBondContact O-N 3.05Å; S55-M59 WeakPolarHBondContact O-CB 3.37Å; S55-M59 VanDerWaalsContact O-CG 3.25Å; S55-M59 WeakPolarHBondContact O-CG 3.41Å; S55-M59 PolarHBondContact O-N 3Å
56	F	66.4	Low	62.4	Low	71 Å²	71	87.6 Å²	87.6	31%	0.311	44%	0.444	S	S	.	.	H	α-helix	trans	-67.8	-43.9	178.2	-166.5	-91.3	0	0	0	111.4	F52 Q53 I54 L58 M59 E60 W87	F52-F56 WeakPolarHBondContact O-CB 3.42Å; F52-F56 PolarHBondContact O-N 3Å; Q53-F56 PolarHBondContact O-N 3.09Å; I54-F56 VanDerWaalsContact C-N 3.32Å; I54-F56 PolarHBondContact O-N 3.44Å; F56-L58 VanDerWaalsContact C-N 3.29Å; F56-L58 PolarHBondContact O-N 3.33Å; F56-M59 WeakPolarHBondContact O-CB 3.48Å; F56-M59 PolarHBondContact O-N 3.3Å; F56-E60 WeakPolarHBondContact O-CB 3.28Å; F56-E60 PolarHBondContact O-N 2.77Å; F56-W87 HydrophobicContact CE2-CE3 4.1Å; F56-W87 HydrophobicContact CE2-CZ3 4.43Å; F56-W87 HydrophobicContact CZ-CE3 4.42Å
57	H	65.7	Low	62.6	Low	111 Å²	111	84.3 Å²	84.3	51%	0.514	43%	0.426	S	S	.	.	H	α-helix	trans	-64.4	-34	174.5	-73.9	-51.7	0	0	0	112.9	Q53 I54 E60 K61	Q53-H57 PolarHBondContact O-CD2 3.29Å; Q53-H57 PolarHBondContact O-N 3.21Å; I54-H57 PolarHBondContact O-N 3.47Å; H57-E60 IonicContact ND1-OE2 2.7Å; H57-E60 PolarHBondContact ND1-OE2 2.74Å; H57-K61 WeakPolarHBondContact O-CG 3.35Å; H57-K61 PolarHBondContact O-N 3.24Å
58	L	71.4	Confident	62.3	Low	95 Å²	95	82.4 Å²	82.4	50%	0.497	43%	0.425	S	S	.	.	H	α-helix	trans	-64.9	-45.2	172.7	-177	63.7	0	0	0	110.6	I54 S55 F56 K61 I62	I54-L58 WeakPolarHBondContact O-CB 3.44Å; I54-L58 PolarHBondContact O-N 3.5Å; S55-L58 PolarHBondContact O-N 3.05Å; F56-L58 VanDerWaalsContact C-N 3.29Å; F56-L58 PolarHBondContact O-N 3.33Å; L58-K61 PolarHBondContact O-N 3.05Å; L58-I62 HydrophobicContact CD1-CD1 4.33Å; L58-I62 HydrophobicContact CG-CD1 3.92Å; L58-I62 VanDerWaalsContact O-CG1 3.26Å; L58-I62 WeakPolarHBondContact O-CG1 3.45Å; L58-I62 PolarHBondContact O-N 3.26Å
59	M	60.2	Low	61.9	Low	67 Å²	67	82.6 Å²	82.6	33%	0.33	43%	0.425	S	S	.	.	H	α-helix	trans	-62.8	-41.4	176.4	-72.3	-65.5	-69.8	0	0	112.3	S55 F56 K61 I62 S63 W87	S55-M59 WeakPolarHBondContact O-CB 3.37Å; S55-M59 VanDerWaalsContact O-CG 3.25Å; S55-M59 WeakPolarHBondContact O-CG 3.41Å; S55-M59 PolarHBondContact O-N 3Å; F56-M59 WeakPolarHBondContact O-CB 3.48Å; F56-M59 PolarHBondContact O-N 3.3Å; M59-K61 VanDerWaalsContact C-N 3.33Å; M59-K61 PolarHBondContact O-N 2.99Å; M59-I62 PolarHBondContact O-N 3.14Å; M59-S63 VanDerWaalsContact O-CB 3.31Å; M59-S63 WeakPolarHBondContact O-CB 3.24Å; M59-S63 PolarHBondContact O-N 3.45Å; M59-W87 HydrophobicContact CE-CH2 3.95Å
60	E	63.9	Low	61.3	Low	107 Å²	107	81.3 Å²	81.3	50%	0.5	42%	0.422	S	S	.	.	H	α-helix	trans	-61.3	-42.1	175.7	-169.2	-178.8	-169.9	0	0	111.3	F56 H57 S63 F64	F56-E60 WeakPolarHBondContact O-CB 3.28Å; F56-E60 PolarHBondContact O-N 2.77Å; H57-E60 IonicContact ND1-OE2 2.7Å; H57-E60 PolarHBondContact ND1-OE2 2.74Å; E60-S63 PolarHBondContact O-N 2.91Å; E60-F64 PolarHBondContact O-N 3.45Å
61	K	64.7	Low	60.7	Low	157 Å²	157	86.5 Å²	86.5	68%	0.683	44%	0.44	S	S	*	.	H	α-helix	trans	-67.4	-41.2	174.4	-76.3	-171.5	175.8	-171	0	112.8	H57 L58 M59 S63 F64 V65	H57-K61 WeakPolarHBondContact O-CG 3.35Å; H57-K61 PolarHBondContact O-N 3.24Å; L58-K61 PolarHBondContact O-N 3.05Å; M59-K61 VanDerWaalsContact C-N 3.33Å; M59-K61 PolarHBondContact O-N 2.99Å; K61-S63 VanDerWaalsContact C-N 3.34Å; K61-F64 PolarHBondContact O-N 2.89Å; K61-V65 WeakPolarHBondContact O-CG2 3.14Å; K61-V65 PolarHBondContact O-N 3.17Å
62	I	68	Low	60.1	Low	76 Å²	76	89.4 Å²	89.4	39%	0.39	46%	0.458	S	S	.	.	H	α-helix	trans	-62.6	-44.9	175.7	-69.9	165.9	0	0	0	109.8	L58 M59 F64 V65 I66	L58-I62 HydrophobicContact CD1-CD1 4.33Å; L58-I62 HydrophobicContact CG-CD1 3.92Å; L58-I62 VanDerWaalsContact O-CG1 3.26Å; L58-I62 WeakPolarHBondContact O-CG1 3.45Å; L58-I62 PolarHBondContact O-N 3.26Å; M59-I62 PolarHBondContact O-N 3.14Å; I62-F64 VanDerWaalsContact C-N 3.33Å; I62-F64 PolarHBondContact O-N 3.4Å; I62-V65 WeakPolarHBondContact O-CB 3.14Å; I62-V65 PolarHBondContact O-N 2.97Å; I62-V65 VanDerWaalsContact O-N 3.11Å; I62-I66 HydrophobicContact CG2-CD1 3.82Å; I62-I66 HydrophobicContact CG2-CG1 4.37Å; I62-I66 WeakPolarHBondContact O-CG1 3.43Å; I62-I66 PolarHBondContact O-N 3.34Å
63	S	63	Low	59.1	Low	24 Å²	24	87.9 Å²	87.9	17%	0.168	46%	0.462	C	S	.	.	H	α-helix	trans	-57.7	-44.7	174.9	-179.4	0	0	0	0	111.3	M59 E60 K61 V65 I66 L67	M59-S63 VanDerWaalsContact O-CB 3.31Å; M59-S63 WeakPolarHBondContact O-CB 3.24Å; M59-S63 PolarHBondContact O-N 3.45Å; E60-S63 PolarHBondContact O-N 2.91Å; K61-S63 VanDerWaalsContact C-N 3.34Å; S63-V65 VanDerWaalsContact C-N 3.34Å; S63-V65 PolarHBondContact O-N 3.28Å; S63-I66 PolarHBondContact O-N 3.29Å; S63-L67 WeakPolarHBondContact O-CB 3.44Å; S63-L67 VanDerWaalsContact O-CG 3.23Å; S63-L67 WeakPolarHBondContact O-CG 3.43Å; S63-L67 PolarHBondContact O-N 3.47Å
64	F	58.9	Low	58.2	Low	134 Å²	134	93.1 Å²	93.1	59%	0.588	48%	0.483	S	S	*	.	H	α-helix	trans	-60.2	-41.5	174.5	-174.3	-93	0	0	0	112.8	E60 K61 I62 S68	E60-F64 PolarHBondContact O-N 3.45Å; K61-F64 PolarHBondContact O-N 2.89Å; I62-F64 VanDerWaalsContact C-N 3.33Å; I62-F64 PolarHBondContact O-N 3.4Å; F64-S68 VanDerWaalsContact O-CB 3.25Å; F64-S68 WeakPolarHBondContact O-CB 3.04Å; F64-S68 PolarHBondContact O-N 3.12Å
65	V	59.7	Low	57.1	Low	85 Å²	85	90.3 Å²	90.3	52%	0.515	48%	0.483	S	S	.	.	H	α-helix	trans	-62.6	-46	175.3	172.8	0	0	0	0	110.5	K61 I62 S63 S68 M69	K61-V65 WeakPolarHBondContact O-CG2 3.14Å; K61-V65 PolarHBondContact O-N 3.17Å; I62-V65 WeakPolarHBondContact O-CB 3.14Å; I62-V65 PolarHBondContact O-N 2.97Å; I62-V65 VanDerWaalsContact O-N 3.11Å; S63-V65 VanDerWaalsContact C-N 3.34Å; S63-V65 PolarHBondContact O-N 3.28Å; V65-S68 WeakPolarHBondContact O-CB 3.16Å; V65-S68 PolarHBondContact O-N 2.83Å; V65-M69 HydrophobicContact CG1-CG 4.41Å; V65-M69 WeakPolarHBondContact O-CG 3.13Å; V65-M69 PolarHBondContact O-N 3.39Å
66	I	59.5	Low	55.6	Low	95 Å²	95	97 Å²	97	49%	0.487	51%	0.509	S	S	.	.	H	α-helix	trans	-61	-49.7	177.6	-66.4	168.6	0	0	0	110.6	I62 S63 S68 M69 C70	I62-I66 HydrophobicContact CG2-CD1 3.82Å; I62-I66 HydrophobicContact CG2-CG1 4.37Å; I62-I66 WeakPolarHBondContact O-CG1 3.43Å; I62-I66 PolarHBondContact O-N 3.34Å; S63-I66 PolarHBondContact O-N 3.29Å; I66-S68 VanDerWaalsContact C-N 3.28Å; I66-S68 PolarHBondContact O-N 3.16Å; I66-M69 CarbonylContact O-C 3.58Å; I66-M69 WeakPolarHBondContact O-CA 3.45Å; I66-M69 WeakPolarHBondContact O-CB 3.11Å; I66-M69 PolarHBondContact O-N 3.03Å; I66-C70 PolarHBondContact O-N 3.2Å; I66-C70 PolarHBondContact O-SG 3.46Å; I66-C70 VanDerWaalsContact O-SG 3.34Å
67	L	54.1	Low	54.6	Low	15 Å²	15	98.8 Å²	98.8	8%	0.079	53%	0.526	C	S	.	.	H	α-helix	trans	-60	-39.4	177	-69.3	169.4	0	0	0	111.6	S63 M69 C70 K71 L80 F83 Q84	S63-L67 WeakPolarHBondContact O-CB 3.44Å; S63-L67 VanDerWaalsContact O-CG 3.23Å; S63-L67 WeakPolarHBondContact O-CG 3.43Å; S63-L67 PolarHBondContact O-N 3.47Å; L67-M69 VanDerWaalsContact C-N 3.29Å; L67-M69 PolarHBondContact O-N 3.19Å; L67-C70 PolarHBondContact O-N 3.19Å; L67-K71 WeakPolarHBondContact O-CG 3.37Å; L67-K71 PolarHBondContact O-N 3.33Å; L67-L80 HydrophobicContact CD2-CD1 3.77Å; L67-L80 HydrophobicContact CD2-CD2 4.17Å; L67-L80 HydrophobicContact CD2-CG 3.63Å; L67-F83 HydrophobicContact CD2-CB 4.38Å; L67-Q84 HydrophobicContact CD1-CG 3.79Å
68	S	53.8	Low	53.7	Low	65 Å²	65	99.5 Å²	99.5	46%	0.455	53%	0.533	S	S	.	.	H	α-helix	trans	-64.6	-32.8	173.4	-172	0	0	0	0	112.2	F64 V65 I66	F64-S68 VanDerWaalsContact O-CB 3.25Å; F64-S68 WeakPolarHBondContact O-CB 3.04Å; F64-S68 PolarHBondContact O-N 3.12Å; V65-S68 WeakPolarHBondContact O-CB 3.16Å; V65-S68 PolarHBondContact O-N 2.83Å; I66-S68 VanDerWaalsContact C-N 3.28Å; I66-S68 PolarHBondContact O-N 3.16Å
69	M	49.8	Very low	52.3	Low	59 Å²	59	102.4 Å²	102.4	29%	0.291	54%	0.544	S	S	.	.	H	α-helix	trans	-71.1	-39.9	172.9	-51.8	-135.3	79.4	0	0	111.3	M1 L4 V65 I66 L67 K71 S72	M1-M69 HydrophobicContact CG-CE 4.37Å; M1-M69 HydrophobicContact SD-CE 3.52Å; M1-M69 VanDerWaalsContact SD-CE 3.52Å; L4-M69 HydrophobicContact CD1-CB 4.22Å; L4-M69 HydrophobicContact CD1-CE 3.35Å; L4-M69 HydrophobicContact CD1-SD 4.07Å; V65-M69 HydrophobicContact CG1-CG 4.41Å; V65-M69 WeakPolarHBondContact O-CG 3.13Å; V65-M69 PolarHBondContact O-N 3.39Å; I66-M69 CarbonylContact O-C 3.58Å; I66-M69 WeakPolarHBondContact O-CA 3.45Å; I66-M69 WeakPolarHBondContact O-CB 3.11Å; I66-M69 PolarHBondContact O-N 3.03Å; L67-M69 VanDerWaalsContact C-N 3.29Å; L67-M69 PolarHBondContact O-N 3.19Å; M69-K71 PolarHBondContact O-N 2.88Å; M69-S72 PolarHBondContact O-N 3.38Å
70	C	45.9	Very low	51.3	Low	57 Å²	57	102.5 Å²	102.5	39%	0.385	55%	0.545	S	S	.	.	H	α-helix	trans	-67.7	-31.9	179.2	-66.4	0	0	0	0	112.8	I66 L67 S72 S73 L80	I66-C70 PolarHBondContact O-N 3.2Å; I66-C70 PolarHBondContact O-SG 3.46Å; I66-C70 VanDerWaalsContact O-SG 3.34Å; L67-C70 PolarHBondContact O-N 3.19Å; C70-S72 PolarHBondContact O-N 3.43Å; C70-S72 VanDerWaalsContact O-N 3.16Å; C70-S73 WeakPolarHBondContact O-CB 3.45Å; C70-S73 PolarHBondContact O-N 3.48Å; C70-L80 HydrophobicContact CB-CD1 3.83Å
71	K	47.6	Very low	50.5	Low	151 Å²	151	104.5 Å²	104.5	66%	0.657	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.5	-21.6	175.1	-78.3	-178.9	179.4	-173.6	0	113.9	L67 M69 L80	L67-K71 WeakPolarHBondContact O-CG 3.37Å; L67-K71 PolarHBondContact O-N 3.33Å; M69-K71 PolarHBondContact O-N 2.88Å; K71-L80 HydrophobicContact CG-CD2 4.29Å
72	S	47.3	Very low	49.4	Very low	103 Å²	103	100.6 Å²	100.6	72%	0.72	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-13.3	174.6	-55.4	0	0	0	0	112.9	M69 C70	M69-S72 PolarHBondContact O-N 3.38Å; C70-S72 PolarHBondContact O-N 3.43Å; C70-S72 VanDerWaalsContact O-N 3.16Å
73	S	41	Very low	47.9	Very low	88 Å²	88	102.9 Å²	102.9	62%	0.615	55%	0.552	S	S	*	*	S	Bend	trans	-87.4	126.4	172.3	-177.6	0	0	0	0	109.7	C70 G75	C70-S73 WeakPolarHBondContact O-CB 3.45Å; C70-S73 PolarHBondContact O-N 3.48Å; S73-G75 PolarHBondContact O-N 3.43Å
74	K	44	Very low	46.9	Very low	223 Å²	223	107.6 Å²	107.6	97%	0.97	57%	0.572	S	S	*	*	S	Bend	trans	-74.9	28.9	-160.7	-138.2	169.9	-175.9	174.8	0	115.2
75	G	44.2	Very low	46	Very low	60 Å²	60	105.8 Å²	105.8	62%	0.619	57%	0.572	S	S	*	*			trans	-133.2	89.2	-175.9	0	0	0	0	0	111.5	S73	S73-G75 PolarHBondContact O-N 3.43Å
76	E	38	Very low	45.1	Very low	194 Å²	194	105.4 Å²	105.4	91%	0.907	58%	0.578	S	S	*	*			trans	-94.1	88.2	-176.7	-173.6	178.2	-150.3	0	0	110
77	T	47.1	Very low	44	Very low	109 Å²	109	106.2 Å²	106.2	67%	0.669	58%	0.575	S	S	*	*			trans	-148.4	106.4	176.5	54.4	0	0	0	0	111.9	E79	T77-E79 VanDerWaalsContact C-N 3.3Å; T77-E79 PolarHBondContact O-N 3.39Å
78	D	46.8	Very low	43.2	Very low	126 Å²	126	113.9 Å²	113.9	67%	0.674	61%	0.607	S	S	*	*	S	Bend	trans	59	-39.3	159.2	-58.6	-32.7	0	0	0	121.4	L80 K81 S82	D78-L80 PolarHBondContact O-N 3.36Å; D78-K81 PolarHBondContact O-N 2.95Å; D78-S82 PolarHBondContact O-N 2.94Å
79	E	41.2	Very low	42.2	Very low	156 Å²	156	118.6 Å²	118.6	73%	0.729	62%	0.617	S	S	*	*	H	α-helix	trans	-62.6	-33.8	179.3	-72	-173.1	169.6	0	0	112	T77 K81 S82 F83	T77-E79 VanDerWaalsContact C-N 3.3Å; T77-E79 PolarHBondContact O-N 3.39Å; E79-K81 VanDerWaalsContact C-N 3.35Å; E79-K81 PolarHBondContact O-N 3.42Å; E79-S82 WeakPolarHBondContact O-CB 3.38Å; E79-S82 PolarHBondContact O-N 2.92Å; E79-F83 PolarHBondContact O-N 3.41Å
80	L	39.8	Very low	41.1	Very low	68 Å²	68	120.2 Å²	120.2	36%	0.356	63%	0.631	S	S	.	*	H	α-helix	trans	-66.6	-35.2	-179.3	-145.7	90.7	0	0	0	112.8	L67 C70 K71 D78 Q84	L67-L80 HydrophobicContact CD2-CD1 3.77Å; L67-L80 HydrophobicContact CD2-CD2 4.17Å; L67-L80 HydrophobicContact CD2-CG 3.63Å; C70-L80 HydrophobicContact CB-CD1 3.83Å; K71-L80 HydrophobicContact CG-CD2 4.29Å; D78-L80 PolarHBondContact O-N 3.36Å; L80-Q84 PolarHBondContact O-N 2.64Å
81	K	45.6	Very low	40.2	Very low	150 Å²	150	123.3 Å²	123.3	65%	0.652	65%	0.653	S	S	*	*	H	α-helix	trans	-70.7	-38.4	175	-76.9	178.1	-178.3	167.4	0	110.8	D78 E79 F83 Q84 T85	D78-K81 PolarHBondContact O-N 2.95Å; E79-K81 VanDerWaalsContact C-N 3.35Å; E79-K81 PolarHBondContact O-N 3.42Å; K81-F83 VanDerWaalsContact C-N 3.33Å; K81-F83 PolarHBondContact O-N 3Å; K81-Q84 PolarHBondContact O-N 2.77Å; K81-T85 PolarHBondContact O-N 3.03Å; K81-T85 VanDerWaalsContact O-N 3.08Å; K81-T85 PolarHBondContact O-OG1 3.47Å
82	S	43.4	Very low	39.1	Very low	75 Å²	75	124.8 Å²	124.8	52%	0.524	66%	0.656	S	S	.	*	H	α-helix	trans	-57.8	-46.2	174.5	-172.8	0	0	0	0	111.3	D78 E79 Q84 T85 A86	D78-S82 PolarHBondContact O-N 2.94Å; E79-S82 WeakPolarHBondContact O-CB 3.38Å; E79-S82 PolarHBondContact O-N 2.92Å; S82-Q84 PolarHBondContact O-N 2.93Å; S82-T85 WeakPolarHBondContact CA-OG1 3.48Å; S82-T85 PolarHBondContact O-N 3.29Å; S82-T85 VanDerWaalsContact O-N 3.11Å; S82-T85 PolarHBondContact O-OG1 2.88Å; S82-A86 PolarHBondContact O-N 3.31Å
83	F	35.5	Very low	38	Very low	123 Å²	123	125.5 Å²	125.5	54%	0.539	66%	0.659	S	S	.	*	H	α-helix	trans	-59.6	-43.2	176	-99.3	-82.1	0	0	0	113.2	L67 E79 K81 T85 A86	L67-F83 HydrophobicContact CD2-CB 4.38Å; E79-F83 PolarHBondContact O-N 3.41Å; K81-F83 VanDerWaalsContact C-N 3.33Å; K81-F83 PolarHBondContact O-N 3Å; F83-T85 VanDerWaalsContact C-N 3.3Å; F83-T85 PolarHBondContact O-N 2.93Å; F83-A86 PolarHBondContact O-N 3.09Å
84	Q	42.5	Very low	37.2	Very low	123 Å²	123	132.2 Å²	132.2	58%	0.575	67%	0.67	S	S	*	*	H	α-helix	trans	-63.7	-35.3	175.4	-93.8	-172.4	-15.2	0	0	113	L67 L80 K81 S82	L67-Q84 HydrophobicContact CD1-CG 3.79Å; L80-Q84 PolarHBondContact O-N 2.64Å; K81-Q84 PolarHBondContact O-N 2.77Å; S82-Q84 PolarHBondContact O-N 2.93Å
85	T	40.3	Very low	36.1	Very low	96 Å²	96	126.3 Å²	126.3	59%	0.589	66%	0.656	S	S	*	*	H	α-helix	trans	-73.3	-29.7	179.6	50.2	0	0	0	0	113.6	K81 S82 F83 W87 K88	K81-T85 PolarHBondContact O-N 3.03Å; K81-T85 VanDerWaalsContact O-N 3.08Å; K81-T85 PolarHBondContact O-OG1 3.47Å; S82-T85 WeakPolarHBondContact CA-OG1 3.48Å; S82-T85 PolarHBondContact O-N 3.29Å; S82-T85 VanDerWaalsContact O-N 3.11Å; S82-T85 PolarHBondContact O-OG1 2.88Å; F83-T85 VanDerWaalsContact C-N 3.3Å; F83-T85 PolarHBondContact O-N 2.93Å; T85-W87 PolarHBondContact O-N 2.82Å; T85-K88 PolarHBondContact O-N 2.79Å
86	A	40.3	Very low	35	Very low	78 Å²	78	130.9 Å²	130.9	65%	0.645	66%	0.663	S	S	*	*	H	α-helix	trans	-62.7	-28.3	179.7	0	0	0	0	0	113.1	S82 F83	S82-A86 PolarHBondContact O-N 3.31Å; F83-A86 PolarHBondContact O-N 3.09Å
87	W	36.1	Very low	34.4	Very low	111 Å²	111	127.9 Å²	127.9	42%	0.42	65%	0.652	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.3	27.7	-175.7	-67.1	91.9	0	0	0	114.3	F56 M59 T85	F56-W87 HydrophobicContact CE2-CE3 4.1Å; F56-W87 HydrophobicContact CE2-CZ3 4.43Å; F56-W87 HydrophobicContact CZ-CE3 4.42Å; M59-W87 HydrophobicContact CE-CH2 3.95Å; T85-W87 PolarHBondContact O-N 2.82Å
88	K	38	Very low	33.3	Very low	176 Å²	176	129.6 Å²	129.6	77%	0.765	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-92.3	121	177.1	-141.3	174.4	-172.6	177.4	0	110.5	T85	T85-K88 PolarHBondContact O-N 2.79Å
89	Y	31.9	Very low	32.2	Very low	165 Å²	165	130.4 Å²	130.4	65%	0.647	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-53.8	131.1	176.7	-154.8	-89.9	0	0	0	110.5	S91 Y92	Y89-S91 PolarHBondContact O-N 3.2Å; Y89-S91 VanDerWaalsContact O-N 3.16Å; Y89-Y92 HydrophobicContact CE1-CE2 4.48Å
90	P	26.7	Very low	31.3	Very low	93 Å²	93	128 Å²	128	60%	0.604	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-61	121.5	-178.5	19.4	-28.5	0	0	0	110.6	Y92	P90-Y92 PolarHBondContact O-N 3.43Å
91	S	27	Very low	30.8	Very low	121 Å²	121	130 Å²	130	85%	0.846	68%	0.679	S	S	*	*			trans	-64.7	113.1	168.5	-88.1	0	0	0	0	108.6	Y89	Y89-S91 PolarHBondContact O-N 3.2Å; Y89-S91 VanDerWaalsContact O-N 3.16Å
92	Y	23.9	Very low	29.7	Very low	183 Å²	183	131 Å²	131	72%	0.718	69%	0.688	S	S	*	*			trans	-62.4	137.7	176.5	-88.1	-92	0	0	0	110.9	Y89 P90	Y89-Y92 HydrophobicContact CE1-CE2 4.48Å; P90-Y92 PolarHBondContact O-N 3.43Å
93	P	24.1	Very low	28.7	Very low	118 Å²	118	134.6 Å²	134.6	77%	0.766	70%	0.701	S	S	*	*			trans	-64.3	137.5	-171.1	20.9	-30.2	0	0	0	113.1	C95	P93-C95 PolarHBondContact O-N 2.96Å
94	R	24.8	Very low	28.3	Very low	228 Å²	228	138.5 Å²	138.5	86%	0.86	72%	0.718	S	S	*	*			trans	-37.1	118.7	165.9	-111.6	173.3	-179.7	169.6	-0.7	110.1	M96	R94-M96 PolarHBondContact O-N 2.97Å; R94-M96 VanDerWaalsContact O-N 3.1Å
95	C	21.1	Very low	27.2	Very low	100 Å²	100	137.2 Å²	137.2	68%	0.676	72%	0.723	S	S	*	*			trans	-68.1	111.8	167.3	-148.6	0	0	0	0	106.8	P93 I97	P93-C95 PolarHBondContact O-N 2.96Å; C95-I97 PolarHBondContact O-N 3.16Å
96	M	21.6	Very low	26.3	Very low	155 Å²	155	138.1 Å²	138.1	76%	0.764	73%	0.733	S	S	*	*			trans	-62.2	88.7	167.8	-62.4	-66.6	170.3	0	0	106.9	R94 N98	R94-M96 PolarHBondContact O-N 2.97Å; R94-M96 VanDerWaalsContact O-N 3.1Å; M96-N98 PolarHBondContact O-N 2.84Å
97	I	25.2	Very low	25.4	Very low	132 Å²	132	143.6 Å²	143.6	68%	0.677	75%	0.748	S	S	*	*			trans	-74.1	113.2	161.3	-66.1	173.2	0	0	0	103.4	C95 D99	C95-I97 PolarHBondContact O-N 3.16Å; I97-D99 PolarHBondContact O-N 3.22Å
98	N	23	Very low	24.6	Very low	144 Å²	144	149 Å²	149	77%	0.77	77%	0.768	S	S	*	*			trans	-61.4	81	174.1	-68.8	-9.5	0	0	0	109.1	M96 S100	M96-N98 PolarHBondContact O-N 2.84Å; N98-S100 PolarHBondContact O-N 3.31Å
99	D	24.6	Very low	24	Very low	144 Å²	144	147.2 Å²	147.2	77%	0.77	77%	0.772	S	S	*	*			trans	-75.8	79.1	152.7	-67	-32.4	0	0	0	105.1	I97 P101	I97-D99 PolarHBondContact O-N 3.22Å; D99-P101 WeakPolarHBondContact O-CD 3.36Å
100	S	23.2	Very low	23.6	Very low	105 Å²	105	147.9 Å²	147.9	73%	0.734	78%	0.781	S	S	*	*			trans	-69.7	110.3	163.8	-160.2	0	0	0	0	105.4	N98 M102	N98-S100 PolarHBondContact O-N 3.31Å; S100-M102 PolarHBondContact O-N 3.27Å
101	P	27.6	Very low	23.4	Very low	111 Å²	111	148.8 Å²	148.8	72%	0.721	79%	0.79	S	S	*	*			trans	-64.1	126.4	-178.2	26	-30.9	0	0	0	108.2	D99 D103	D99-P101 WeakPolarHBondContact O-CD 3.36Å; P101-D103 PolarHBondContact O-N 3.39Å
102	M	23.5	Very low	23.2	Very low	170 Å²	170	148.1 Å²	148.1	84%	0.837	79%	0.785	S	S	*	*			trans	-56.8	125.6	173.2	-72.8	-78	-118.3	0	0	109.2	S100 F104	S100-M102 PolarHBondContact O-N 3.27Å; M102-F104 PolarHBondContact O-N 2.71Å
103	D	22.4	Very low	23.5	Very low	151 Å²	151	147.3 Å²	147.3	81%	0.807	79%	0.793	S	S	*	*			trans	-57.9	90.1	176.3	-80.4	-49	0	0	0	111.5	P101 S105	P101-D103 PolarHBondContact O-N 3.39Å; D103-S105 PolarHBondContact O-N 3.07Å
104	F	26.5	Very low	23.6	Very low	204 Å²	204	150 Å²	150	90%	0.895	80%	0.795	S	S	*	*			trans	-80.7	69.9	155.3	-83.3	-79.4	0	0	0	108.8	M102 S106	M102-F104 PolarHBondContact O-N 2.71Å; F104-S106 PolarHBondContact O-N 2.78Å
105	S	20.6	Very low	23.6	Very low	96 Å²	96	146.9 Å²	146.9	67%	0.671	80%	0.796	S	S	*	*			trans	-74.7	95.9	160.5	44.5	0	0	0	0	108.1	D103	D103-S105 PolarHBondContact O-N 3.07Å
106	S	20.8	Very low	24	Very low	115 Å²	115	145.2 Å²	145.2	80%	0.804	80%	0.795	S	S	*	*			trans	157.3	80.7	144.6	-74.1	0	0	0	0	111	F104	F104-S106 PolarHBondContact O-N 2.78Å
107	M	20.4	Very low	24.2	Very low	193 Å²	193	146 Å²	146	95%	0.951	80%	0.803	S	S	*	*			trans	-143.9	88.2	147.1	-106.3	172.9	134.1	0	0	108.1	T109	M107-T109 PolarHBondContact O-N 3.29Å
108	R	19.6	Very low	24.2	Very low	226 Å²	226	145.7 Å²	145.7	85%	0.853	81%	0.811	S	S	*	*			trans	-70.5	110.7	171.8	170.9	-174	-90.9	-170.7	-7.4	108.3
109	T	25.7	Very low	24.3	Very low	137 Å²	137	147.2 Å²	147.2	84%	0.84	81%	0.813	S	S	*	*			trans	-136.2	113	150	47.5	0	0	0	0	108.2	M107	M107-T109 PolarHBondContact O-N 3.29Å
110	Q	22.6	Very low	24.5	Very low	179 Å²	179	146.2 Å²	146.2	84%	0.836	81%	0.812	S	S	*	*			trans	-68.7	130.4	173.5	-66.8	163.4	-36.5	0	0	109.3
111	S	24.1	Very low	24.7	Very low	112 Å²	112	148.7 Å²	148.7	78%	0.783	82%	0.816	S	S	*	*			trans	-161.3	99.8	140.4	62.3	0	0	0	0	108.8	N113	S111-N113 PolarHBondContact O-N 2.92Å
112	S	21.9	Very low	24.6	Very low	107 Å²	107	150 Å²	150	75%	0.748	82%	0.817	S	S	*	*			trans	-56.2	121.7	156.6	47	0	0	0	0	109.1
113	N	29.6	Very low	25	Very low	166 Å²	166	150.2 Å²	150.2	89%	0.888	82%	0.816	S	S	*	*			trans	-146	116.2	147.3	-99.3	-4.4	0	0	0	107.4	S111	S111-N113 PolarHBondContact O-N 2.92Å
114	E	27.3	Very low	25.3	Very low	174 Å²	174	152.2 Å²	152.2	81%	0.813	82%	0.82	S	S	*	*			trans	-71	144.1	178.3	-63.2	169.9	151.1	0	0	110.1
115	N	25.2	Very low	25.2	Very low	164 Å²	164	151.6 Å²	151.6	88%	0.877	82%	0.82	S	S	*	*			trans	42	97.3	143.9	-54.8	-17.9	0	0	0	117.7
116	G	29.4	Very low	25.5	Very low	64 Å²	64	152 Å²	152	66%	0.66	82%	0.823	S	S	*	*			trans	-150.7	93.8	162.5	0	0	0	0	0	110.1	C118	G116-C118 PolarHBondContact O-N 3.5Å; G116-C118 VanDerWaalsContact O-N 3.13Å
117	D	25.2	Very low	25.9	Very low	172 Å²	172	155 Å²	155	92%	0.92	82%	0.824	S	S	*	*			trans	-54.4	111.9	166.1	-64	-53.4	0	0	0	108.7
118	C	24.4	Very low	26	Very low	125 Å²	125	153.1 Å²	153.1	85%	0.845	82%	0.817	S	S	*	*			trans	-107.9	112.2	174.4	-76.2	0	0	0	0	108.8	G116	G116-C118 PolarHBondContact O-N 3.5Å; G116-C118 VanDerWaalsContact O-N 3.13Å
119	E	26.4	Very low	26.5	Very low	177 Å²	177	151.8 Å²	151.8	83%	0.827	82%	0.821	S	S	*	*			trans	-54.6	143.7	175.5	-66.7	171.9	143.6	0	0	112.6	I121	E119-I121 PolarHBondContact O-N 3.34Å
120	V	28.5	Very low	26.6	Very low	123 Å²	123	151.5 Å²	151.5	75%	0.745	81%	0.813	S	S	*	*			trans	-11.5	103	153.1	-173.3	0	0	0	0	114.2	D122	V120-D122 HydrophobicContact CG1-CB 4.41Å
121	I	27.6	Very low	26.8	Very low	157 Å²	157	150.4 Å²	150.4	81%	0.805	81%	0.812	S	S	*	*			trans	-102.3	82.8	159.9	-57.3	179.3	0	0	0	107.1	E119 Q123	E119-I121 PolarHBondContact O-N 3.34Å; I121-Q123 PolarHBondContact O-N 3.01Å
122	D	24.9	Very low	27	Very low	139 Å²	139	152.4 Å²	152.4	74%	0.743	81%	0.813	S	S	*	*			trans	-72.8	99.7	155.5	-88.9	-31.2	0	0	0	107.2	V120	V120-D122 HydrophobicContact CG1-CB 4.41Å
123	Q	31.7	Very low	27.4	Very low	174 Å²	174	155 Å²	155	81%	0.813	81%	0.813	S	S	*	*			trans	174.4	106.2	153.5	-100.7	160.9	31	0	0	109.5	I121	I121-Q123 PolarHBondContact O-N 3.01Å
124	Q	29.1	Very low	27.4	Very low	193 Å²	193	156 Å²	156	90%	0.902	81%	0.812	S	S	*	*			trans	165.2	83.7	130.4	-88.9	173.1	-9.4	0	0	108.3
125	E	24.4	Very low	27.6	Very low	190 Å²	190	155.7 Å²	155.7	89%	0.888	81%	0.811	S	S	*	*			trans	-66.1	151.2	151.2	-72.2	-179	147.5	0	0	109.3
126	S	27.6	Very low	27.7	Very low	105 Å²	105	156.7 Å²	156.7	73%	0.734	81%	0.81	S	S	*	*			trans	98	130.7	170.1	83.6	0	0	0	0	116.5
127	Q	28.3	Very low	27.8	Very low	179 Å²	179	161.4 Å²	161.4	84%	0.836	82%	0.815	S	S	*	*			trans	91.9	76.3	170.9	-51.3	-177	35.8	0	0	116.2
128	L	23.2	Very low	28	Very low	153 Å²	153	162.4 Å²	162.4	80%	0.801	81%	0.814	S	S	*	*			trans	-157.3	86.2	139.7	-104.7	140.6	0	0	0	109.4	L130	L128-L130 HydrophobicContact CD2-CD1 3.52Å; L128-L130 HydrophobicContact CD2-CG 3.96Å; L128-L130 PolarHBondContact O-N 3.25Å
129	E	29.6	Very low	28.2	Very low	198 Å²	198	164.4 Å²	164.4	93%	0.925	81%	0.811	S	S	*	*			trans	-79.2	88.8	165.4	-168.2	163.9	-154.4	0	0	106.6
130	L	28.5	Very low	28.2	Very low	130 Å²	130	161.3 Å²	161.3	68%	0.681	81%	0.809	S	S	*	*			trans	-103.8	105.2	175.6	-106.6	165.8	0	0	0	108.7	L128 I132	L128-L130 HydrophobicContact CD2-CD1 3.52Å; L128-L130 HydrophobicContact CD2-CG 3.96Å; L128-L130 PolarHBondContact O-N 3.25Å; L130-I132 PolarHBondContact O-N 2.82Å
131	L	25.4	Very low	28.2	Very low	156 Å²	156	164.4 Å²	164.4	82%	0.817	81%	0.809	S	S	*	*			trans	-54.9	108.9	163.1	-71.7	150	0	0	0	108.1
132	I	28.9	Very low	28.2	Very low	155 Å²	155	164.9 Å²	164.9	80%	0.795	81%	0.808	S	S	*	*			trans	-93.7	105.3	165.7	-62.9	176.1	0	0	0	105.2	L130 E134	L130-I132 PolarHBondContact O-N 2.82Å; I132-E134 PolarHBondContact O-N 3.47Å
133	E	31.2	Very low	28.4	Very low	162 Å²	162	164.4 Å²	164.4	76%	0.757	81%	0.805	S	S	*	*			trans	-60.3	129.1	173.4	-66	175.2	167.3	0	0	108.8	E135	E133-E135 VanDerWaalsContact C-N 3.32Å; E133-E135 PolarHBondContact O-N 3.16Å
134	E	28	Very low	28.1	Very low	186 Å²	186	164.3 Å²	164.3	87%	0.869	81%	0.809	S	S	*	*			trans	-70.7	85.7	176.9	-64.4	175.9	160.4	0	0	108.7	I132 E136	I132-E134 PolarHBondContact O-N 3.47Å; E134-E136 PolarHBondContact O-N 2.83Å
135	E	31.8	Very low	27.9	Very low	167 Å²	167	159.9 Å²	159.9	78%	0.78	80%	0.798	S	S	*	*			trans	-81.2	97.9	165.5	-75	-172.8	157.5	0	0	108.6	E133 E137	E133-E135 VanDerWaalsContact C-N 3.32Å; E133-E135 PolarHBondContact O-N 3.16Å; E135-E137 PolarHBondContact O-N 3.42Å
136	E	27.9	Very low	28	Very low	185 Å²	185	158.3 Å²	158.3	86%	0.864	80%	0.796	S	S	*	*			trans	-65.5	92.4	168.7	-70.3	-176.4	150.3	0	0	109.5	E134 E138	E134-E136 PolarHBondContact O-N 2.83Å; E136-E138 PolarHBondContact O-N 3.35Å
137	E	31.1	Very low	27.9	Very low	164 Å²	164	162.7 Å²	162.7	77%	0.766	80%	0.802	S	S	*	*			trans	-70.9	106.9	168.8	-75.4	-173.4	159.1	0	0	110.3	E135 E139	E135-E137 PolarHBondContact O-N 3.42Å; E137-E139 PolarHBondContact O-N 2.95Å
138	E	29.2	Very low	27.7	Very low	192 Å²	192	157.5 Å²	157.5	90%	0.897	80%	0.797	S	S	*	*			trans	-67.1	88.1	163.8	-72.8	-171.9	158.3	0	0	109.9	E136 S140	E136-E138 PolarHBondContact O-N 3.35Å; E138-S140 PolarHBondContact O-N 2.95Å
139	E	28.4	Very low	27.7	Very low	167 Å²	167	158 Å²	158	78%	0.78	80%	0.798	S	S	*	*			trans	-68.6	98.1	169.8	-76.2	-170.2	164	0	0	110.4	E137 Y141	E137-E139 PolarHBondContact O-N 2.95Å; E139-Y141 PolarHBondContact O-N 3.44Å
140	S	28	Very low	27.5	Very low	113 Å²	113	153.4 Å²	153.4	79%	0.79	80%	0.795	S	S	*	*			trans	-68.9	119.6	170.6	69.2	0	0	0	0	110.9	E138 E142	E138-S140 PolarHBondContact O-N 2.95Å; S140-E142 PolarHBondContact O-N 3.43Å
141	Y	26.7	Very low	27.2	Very low	187 Å²	187	151.6 Å²	151.6	73%	0.733	79%	0.793	S	S	*	*			trans	-64.8	118.2	170.2	-74.9	-99.5	0	0	0	110.4	E139	E139-Y141 PolarHBondContact O-N 3.44Å
142	E	28.6	Very low	27.1	Very low	168 Å²	168	150.8 Å²	150.8	79%	0.785	79%	0.789	S	S	*	*			trans	-157.8	129.5	154.1	-112.8	-179.8	-155.9	0	0	113.6	S140	S140-E142 PolarHBondContact O-N 3.43Å
143	N	28.6	Very low	27	Very low	129 Å²	129	155.5 Å²	155.5	69%	0.69	80%	0.797	S	S	*	*			trans	74.1	97.5	148.1	-57.3	-31.6	0	0	0	120	C145	N143-C145 PolarHBondContact O-N 3.42Å; N143-C145 VanDerWaalsContact O-N 3.07Å
144	L	25.3	Very low	26.8	Very low	172 Å²	172	154.9 Å²	154.9	90%	0.901	80%	0.799	S	S	*	*			trans	-30.3	105	143.5	-97.8	62.9	0	0	0	111.7
145	C	25.8	Very low	26.6	Very low	99 Å²	99	149.3 Å²	149.3	67%	0.669	79%	0.791	S	S	*	*			trans	-90.5	96	159.5	48.5	0	0	0	0	108.5	N143 F147	N143-C145 PolarHBondContact O-N 3.42Å; N143-C145 VanDerWaalsContact O-N 3.07Å; C145-F147 PolarHBondContact O-N 3.24Å
146	D	25.4	Very low	26.3	Very low	158 Å²	158	148.4 Å²	148.4	85%	0.845	79%	0.792	S	S	*	*			trans	-60.8	115.3	161	-110.1	-25.2	0	0	0	107.8	G148	D146-G148 VanDerWaalsContact C-N 3.27Å; D146-G148 PolarHBondContact O-N 3.16Å
147	F	27	Very low	25.9	Very low	197 Å²	197	148.8 Å²	148.8	86%	0.864	79%	0.791	S	S	*	*			trans	-70.2	83.8	176	-85.8	-95	0	0	0	109.9	C145	C145-F147 PolarHBondContact O-N 3.24Å
148	G	23.8	Very low	25.7	Very low	70 Å²	70	148.2 Å²	148.2	72%	0.722	79%	0.791	S	S	*	*			trans	-85.5	117.7	163.7	0	0	0	0	0	110.5	D146 A150	D146-G148 VanDerWaalsContact C-N 3.27Å; D146-G148 PolarHBondContact O-N 3.16Å; G148-A150 PolarHBondContact O-N 3.47Å
149	I	23.5	Very low	25.3	Very low	163 Å²	163	143.9 Å²	143.9	84%	0.836	78%	0.778	S	S	*	*			trans	-65.9	118.5	175.2	-62.6	165.6	0	0	0	109
150	A	24.8	Very low	25	Very low	102 Å²	102	144.4 Å²	144.4	84%	0.843	78%	0.781	S	S	*	*			trans	-117.1	111.5	166.3	0	0	0	0	0	109.2	G148	G148-A150 PolarHBondContact O-N 3.47Å
151	S	21.9	Very low	24.9	Very low	92 Å²	92	144 Å²	144	64%	0.643	78%	0.778	S	S	*	*			trans	-81.3	146.1	178	-55.9	0	0	0	0	112
152	N	22.5	Very low	24.7	Very low	138 Å²	138	141.3 Å²	141.3	74%	0.738	78%	0.781	S	S	*	*			trans	58.2	113.9	147.4	-60	-10.2	0	0	0	119
153	R	28.4	Very low	24.7	Very low	255 Å²	255	140.2 Å²	140.2	96%	0.962	78%	0.779	S	S	*	*			trans	-139.5	113.4	133.9	-106	177.3	179.1	177.2	-0.8	110.1
154	D	25.9	Very low	24.3	Very low	149 Å²	149	139.2 Å²	139.2	80%	0.797	78%	0.782	S	S	*	*			trans	-65.2	149.2	177.3	-61.7	-67.7	0	0	0	112.9
155	G	23.2	Very low	24.4	Very low	69 Å²	69	137.4 Å²	137.4	71%	0.711	77%	0.774	S	S	*	*			trans	79.8	96.7	134	0	0	0	0	0	117.6
156	N	25.9	Very low	24.3	Very low	147 Å²	147	137.2 Å²	137.2	79%	0.786	77%	0.773	S	S	*	*				-151.6	106.4	124.6	-135.7	7.8	0	0	0	110.9	I158	N156-I158 PolarHBondContact O-N 3.35Å
157	F	19.6	Very low	24	Very low	193 Å²	193	136 Å²	136	85%	0.846	78%	0.776	S	S	*	*			trans	-69.2	113.7	165.2	-86.8	-99.7	0	0	0	107.9
158	I	26.6	Very low	24	Very low	152 Å²	152	135.3 Å²	135.3	78%	0.779	78%	0.775	S	S	*	*			trans	-119.3	101.8	158.7	-54.5	179.7	0	0	0	106.2	N156	N156-I158 PolarHBondContact O-N 3.35Å
159	T	22.3	Very low	23.9	Very low	101 Å²	101	141.8 Å²	141.8	62%	0.62	78%	0.783	S	S	*	*			trans	-74.2	149	173	44.2	0	0	0	0	110.7
160	E	22.1	Very low	23.9	Very low	178 Å²	178	141.7 Å²	141.7	83%	0.832	78%	0.784	S	S	*	*			trans	65.7	111.1	154.6	-66.8	177.1	173.5	0	0	117.5
161	S	24.5	Very low	23.8	Very low	106 Å²	106	141.9 Å²	141.9	74%	0.741	78%	0.779	S	S	*	*				170.6	124.4	92	42.9	0	0	0	0	110.9	I163	S161-I163 PolarHBondContact O-N 3.42Å
162	T	23.9	Very low	24	Very low	130 Å²	130	143.1 Å²	143.1	80%	0.798	79%	0.785	S	S	*	*			trans	-36.3	114.9	157.7	37.2	0	0	0	0	113.7
163	I	27.1	Very low	24.1	Very low	145 Å²	145	142.7 Å²	142.7	74%	0.744	79%	0.787	S	S	*	*			trans	-127.3	92.8	149	-59.9	-178.9	0	0	0	107.8	S161	S161-I163 PolarHBondContact O-N 3.42Å
164	S	21.6	Very low	23.9	Very low	107 Å²	107	136.6 Å²	136.6	75%	0.748	78%	0.778	S	S	*	*			trans	-67.5	113.7	158	-2.4	0	0	0	0	108.2
165	N	25.9	Very low	23.8	Very low	135 Å²	135	137.5 Å²	137.5	72%	0.722	78%	0.778	S	S	*	*			trans	-141.2	94.2	160.2	-88.4	-28	0	0	0	106.4
166	S	25	Very low	23.8	Very low	95 Å²	95	142.3 Å²	142.3	66%	0.664	79%	0.787	S	S	*	*				80	96.9	97.5	71.2	0	0	0	0	111.5	Q168	S166-Q168 PolarHBondContact O-N 3.44Å
167	C	19.5	Very low	23.8	Very low	133 Å²	133	144.1 Å²	144.1	90%	0.899	79%	0.79	S	S	*	*			trans	-44.1	119.8	167.4	-58.2	0	0	0	0	111.9
168	Q	26.9	Very low	24	Very low	181 Å²	181	139.6 Å²	139.6	85%	0.846	78%	0.783	S	S	*	*			trans	-108.1	111.7	154.7	-77.8	-170.4	-7.6	0	0	109.1	S166 L170	S166-Q168 PolarHBondContact O-N 3.44Å; Q168-L170 PolarHBondContact O-N 3.22Å
169	K	21.4	Very low	24	Very low	206 Å²	206	137.8 Å²	137.8	90%	0.896	78%	0.781	S	S	*	*			trans	-78.2	104.1	175.9	-172	179.2	-172.4	179.1	0	107.2
170	L	22.5	Very low	24	Very low	161 Å²	161	139.1 Å²	139.1	84%	0.843	78%	0.784	S	S	*	*			trans	-125.7	121.6	163.1	-75.8	170.2	0	0	0	107.5	Q168	Q168-L170 PolarHBondContact O-N 3.22Å
171	S	22.5	Very low	24.2	Very low	106 Å²	106	138.8 Å²	138.8	74%	0.741	79%	0.788	S	S	*	*			trans	-75	164	-179.5	77.9	0	0	0	0	110.9
172	P	25.9	Very low	24.1	Very low	119 Å²	119	144.2 Å²	144.2	77%	0.773	79%	0.794	S	S	*	*			trans	-82.2	128.2	-157.3	31.4	-31	0	0	0	112
173	V	25	Very low	24.1	Very low	128 Å²	128	142.4 Å²	142.4	78%	0.776	79%	0.787	S	S	*	*			trans	-96	112.8	162.7	176.2	0	0	0	0	106.9	E175	V173-E175 PolarHBondContact O-N 3.38Å
174	T	23.9	Very low	24	Very low	128 Å²	128	143.3 Å²	143.3	79%	0.785	79%	0.793	S	S	*	*			trans	-74.7	109.9	167.2	47.9	0	0	0	0	108.2
175	E	24.2	Very low	24.2	Very low	167 Å²	167	147.2 Å²	147.2	78%	0.78	80%	0.797	S	S	*	*			trans	-153	127.3	160.2	-113	168.8	-143.3	0	0	110.7	V173 H177	V173-E175 PolarHBondContact O-N 3.38Å; E175-H177 PolarHBondContact O-N 3.38Å
176	N	22.9	Very low	24	Very low	170 Å²	170	146 Å²	146	91%	0.909	80%	0.797	S	S	*	*			trans	-67.9	108.6	-174.1	-61.5	-51.1	0	0	0	110.7
177	H	26.7	Very low	23.9	Very low	185 Å²	185	149.6 Å²	149.6	86%	0.856	81%	0.808	S	S	*	*			trans	-95.2	140.5	157.9	-70	-68.6	0	0	0	108.3	E175	E175-H177 PolarHBondContact O-N 3.38Å
178	S	24	Very low	23.9	Very low	99 Å²	99	148.5 Å²	148.5	69%	0.692	80%	0.802	S	S	*	*			cis	-173.6	125.1	-13.7	-177.8	0	0	0	0	103.8
179	P	25.5	Very low	23.7	Very low	113 Å²	113	145.5 Å²	145.5	73%	0.734	80%	0.801	S	S	*	*			trans	-89.7	116	166.4	31.5	-23.3	0	0	0	107.4
180	N	23.9	Very low	23.8	Very low	130 Å²	130	141.2 Å²	141.2	70%	0.695	79%	0.794	S	S	*	*			trans	167	100.5	151.7	-87	-28	0	0	0	110
181	N	26.1	Very low	24	Very low	170 Å²	170	141.3 Å²	141.3	91%	0.909	79%	0.794	S	S	*	*			trans	-140.3	90.7	147.4	-104.3	-21.5	0	0	0	108.7	S183	N181-S183 PolarHBondContact O-N 3.26Å
182	Y	21.1	Very low	24	Very low	220 Å²	220	141.6 Å²	141.6	86%	0.863	79%	0.791	S	S	*	*			trans	-61.2	114.1	159.7	-87.7	-97.8	0	0	0	109
183	S	25.3	Very low	24.1	Very low	93 Å²	93	143.6 Å²	143.6	65%	0.65	80%	0.795	S	S	*	*			trans	-163.6	57.4	157.3	176.2	0	0	0	0	110.9	N181 K185	N181-S183 PolarHBondContact O-N 3.26Å; S183-K185 VanDerWaalsContact C-N 3.25Å; S183-K185 PolarHBondContact O-N 3.34Å
184	N	24	Very low	24	Very low	163 Å²	163	146.6 Å²	146.6	87%	0.872	80%	0.801	S	S	*	*			trans	-78.7	78.8	163.1	-72.4	-21.2	0	0	0	108.8	C186	N184-C186 PolarHBondContact O-N 3.39Å
185	K	26.4	Very low	24.2	Very low	190 Å²	190	145.5 Å²	145.5	83%	0.826	80%	0.799	S	S	*	*			trans	-83.4	75.1	162.5	-83.4	-177.1	176.3	176.2	0	108.5	S183	S183-K185 VanDerWaalsContact C-N 3.25Å; S183-K185 PolarHBondContact O-N 3.34Å
186	C	20.4	Very low	24.3	Very low	108 Å²	108	142 Å²	142	73%	0.73	79%	0.793	S	S	*	*			trans	-88.4	97.6	160.9	-63.4	0	0	0	0	107.2	N184	N184-C186 PolarHBondContact O-N 3.39Å
187	L	22.8	Very low	24.4	Very low	172 Å²	172	141 Å²	141	90%	0.901	79%	0.792	S	S	*	*			trans	-123.4	97.6	163.3	-91.9	163.8	0	0	0	108.1
188	S	20.5	Very low	24.4	Very low	110 Å²	110	138.7 Å²	138.7	77%	0.769	79%	0.785	S	S	*	*			trans	-59.5	135.8	171.4	-36.5	0	0	0	0	111.1
189	S	22.8	Very low	24.6	Very low	117 Å²	117	139.2 Å²	139.2	82%	0.818	78%	0.78	S	S	*	*			trans	-152.6	138.3	143.2	-77.6	0	0	0	0	109.7
190	P	24.4	Very low	24.8	Very low	117 Å²	117	140.3 Å²	140.3	76%	0.76	78%	0.778	S	S	*	*			trans	-91.5	138.6	-166.9	34.9	-31.9	0	0	0	111.9
191	I	24.9	Very low	25.3	Very low	163 Å²	163	140.5 Å²	140.5	84%	0.836	78%	0.779	S	S	*	*			trans	-108.8	105.9	160.4	-61	176.9	0	0	0	107
192	T	23.7	Very low	25.6	Very low	112 Å²	112	140.7 Å²	140.7	69%	0.687	78%	0.775	S	S	*	*			trans	-58.8	126.6	164.2	48.6	0	0	0	0	109.9
193	N	26.7	Very low	26	Very low	160 Å²	160	138.8 Å²	138.8	86%	0.856	77%	0.771	S	S	*	*			trans	-140.1	106.4	145.2	-96.5	-16.5	0	0	0	107.5	S195	N193-S195 PolarHBondContact O-N 3.01Å
194	E	24.2	Very low	26.1	Very low	191 Å²	191	143.3 Å²	143.3	89%	0.893	78%	0.775	S	S	*	*			trans	-65.9	122.3	169.1	-62.5	177.9	155.2	0	0	109
195	S	28.7	Very low	26.5	Very low	105 Å²	105	139.6 Å²	139.6	73%	0.734	76%	0.762	S	S	*	*			trans	-150.7	91.1	150.5	67.7	0	0	0	0	108.9	N193 V197	N193-S195 PolarHBondContact O-N 3.01Å; S195-V197 PolarHBondContact O-N 3.44Å
196	S	24.6	Very low	26.7	Very low	95 Å²	95	138.6 Å²	138.6	66%	0.664	76%	0.762	S	S	*	*			trans	30.2	90.4	146.2	58.9	0	0	0	0	116.1	I198	S196-I198 VanDerWaalsContact C-N 3.31Å; S196-I198 PolarHBondContact O-N 2.94Å
197	V	26.5	Very low	27.1	Very low	147 Å²	147	139.9 Å²	139.9	89%	0.891	76%	0.76	S	S	*	*			trans	-65.6	97.5	154.5	177.6	0	0	0	0	106.4	S195 D199	S195-V197 PolarHBondContact O-N 3.44Å; V197-D199 PolarHBondContact O-N 2.82Å
198	I	25.5	Very low	27.4	Very low	138 Å²	138	135.3 Å²	135.3	71%	0.708	75%	0.747	S	S	*	*			trans	-73.2	106.4	171.8	-64	168.6	0	0	0	106	S196 I200	S196-I198 VanDerWaalsContact C-N 3.31Å; S196-I198 PolarHBondContact O-N 2.94Å; I198-I200 PolarHBondContact O-N 3.19Å
199	D	28.7	Very low	27.9	Very low	109 Å²	109	136.6 Å²	136.6	58%	0.583	75%	0.745	S	S	*	*			trans	-62.4	114.5	176.3	-172.5	-4.6	0	0	0	109.9	V197 N201	V197-D199 PolarHBondContact O-N 2.82Å; D199-N201 PolarHBondContact O-N 2.66Å; D199-N201 WeakPolarHBondContact OD1-CB 3.3Å; D199-N201 PolarHBondContact OD1-N 3.4Å; D199-N201 VanDerWaalsContact OD1-N 3.15Å
200	I	30	Very low	28.1	Very low	136 Å²	136	140.5 Å²	140.5	70%	0.697	75%	0.748	S	S	*	*	G	3₁₀ helix	trans	-75.1	-4.9	-173.8	-58.3	171	0	0	0	111.1	I198 E202	I198-I200 PolarHBondContact O-N 3.19Å; I200-E202 VanDerWaalsContact C-N 3.26Å; I200-E202 PolarHBondContact O-N 3.05Å
201	N	33.3	Very low	28.2	Very low	134 Å²	134	140.6 Å²	140.6	72%	0.717	75%	0.75	S	S	*	*	G	3₁₀ helix	trans	-71.5	-12.9	179.4	-83.4	-24.1	0	0	0	115.1	D199 K203	D199-N201 PolarHBondContact O-N 2.66Å; D199-N201 WeakPolarHBondContact OD1-CB 3.3Å; D199-N201 PolarHBondContact OD1-N 3.4Å; D199-N201 VanDerWaalsContact OD1-N 3.15Å; N201-K203 PolarHBondContact O-N 3.03Å
202	E	32.4	Very low	28.6	Very low	174 Å²	174	136.8 Å²	136.8	81%	0.813	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-80.4	-17.4	-176.7	-147.7	173.7	-167.9	0	0	113.5	I200	I200-E202 VanDerWaalsContact C-N 3.26Å; I200-E202 PolarHBondContact O-N 3.05Å
203	K	31	Very low	28.8	Very low	180 Å²	180	138.8 Å²	138.8	78%	0.783	75%	0.749	S	S	*	*	G	3₁₀ helix	trans	-88.7	-11.4	-174.4	-118.4	176.4	-176.6	174.9	0	115.9	N201	N201-K203 PolarHBondContact O-N 3.03Å
204	Y	27.2	Very low	28.8	Very low	189 Å²	189	137 Å²	137	74%	0.741	74%	0.744	S	S	*	*	G	3₁₀ helix	trans	-91.8	-4.1	177.5	-81.1	-78.7	0	0	0	114.5	M206	Y204-M206 VanDerWaalsContact C-N 3.3Å; Y204-M206 PolarHBondContact O-N 3.13Å
205	S	31.9	Very low	28.8	Very low	84 Å²	84	136.3 Å²	136.3	59%	0.587	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	-20.9	173.8	157.3	0	0	0	0	113.7
206	M	29.5	Very low	28.7	Very low	169 Å²	169	136.9 Å²	136.9	83%	0.833	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	2	-171.5	-76.5	-169.7	148.6	0	0	116.6	Y204	Y204-M206 VanDerWaalsContact C-N 3.3Å; Y204-M206 PolarHBondContact O-N 3.13Å
207	I	29.7	Very low	28.7	Very low	135 Å²	135	137.6 Å²	137.6	69%	0.692	74%	0.739	S	S	*	*	S	Bend	trans	-110.1	-12.7	179.7	-58.2	177	0	0	0	112.6
208	A	29.5	Very low	28.7	Very low	76 Å²	76	135.8 Å²	135.8	63%	0.628	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-75.6	-21.8	177.5	0	0	0	0	0	113.9	K210	A208-K210 PolarHBondContact O-N 3.31Å
209	D	29.9	Very low	28.6	Very low	137 Å²	137	135 Å²	135	73%	0.733	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-93.1	10.6	-169	-82.8	-8.4	0	0	0	116.3
210	K	28.4	Very low	28.5	Very low	200 Å²	200	135.5 Å²	135.5	87%	0.87	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-107	4	176.9	-80.2	-170.6	176.1	-178.6	0	116.4	A208	A208-K210 PolarHBondContact O-N 3.31Å
211	C	25.3	Very low	28.1	Very low	119 Å²	119	134.6 Å²	134.6	80%	0.804	74%	0.739	S	S	*	*	S	Bend	trans	-110.6	9.7	177.6	-68.3	0	0	0	0	114.8
212	A	32.9	Very low	27.8	Very low	83 Å²	83	131.6 Å²	131.6	69%	0.686	74%	0.74	S	S	*	*	S	Bend	trans	-84.7	-12.5	-178.3	0	0	0	0	0	115.3
213	N	28.4	Very low	27.5	Very low	153 Å²	153	130.2 Å²	130.2	82%	0.818	74%	0.744	S	S	*	*			trans	-119.9	40.4	-168.3	-69.1	-5.7	0	0	0	114.9
214	V	26.1	Very low	27.2	Very low	123 Å²	123	127.6 Å²	127.6	75%	0.745	74%	0.743	S	S	*	*			trans	-101.2	81.1	162.4	-172.4	0	0	0	0	108.1	V216	V214-V216 HydrophobicContact CG1-CG2 4.16Å; V214-V216 PolarHBondContact O-N 3.27Å
215	E	24.8	Very low	27.1	Very low	177 Å²	177	124.6 Å²	124.6	83%	0.827	75%	0.745	S	S	*	*			trans	-57	101.5	159	-82.2	-178.9	146.2	0	0	107.7	V217	E215-V217 HydrophobicContact CB-CG2 4.36Å; E215-V217 PolarHBondContact O-N 2.76Å
216	V	26.1	Very low	26.9	Very low	116 Å²	116	127.1 Å²	127.1	70%	0.703	76%	0.757	S	S	*	*			trans	-76.6	89.8	166.1	-176.9	0	0	0	0	106.4	V214 V218	V214-V216 HydrophobicContact CG1-CG2 4.16Å; V214-V216 PolarHBondContact O-N 3.27Å; V216-V218 VanDerWaalsContact C-N 3.29Å; V216-V218 HydrophobicContact CG1-CG2 3.79Å; V216-V218 PolarHBondContact O-N 2.71Å
217	V	26	Very low	26.7	Very low	110 Å²	110	123.8 Å²	123.8	67%	0.667	75%	0.75	S	S	*	*			trans	-66.1	90.5	169.3	-178.1	0	0	0	0	107.6	E215 V219	E215-V217 HydrophobicContact CB-CG2 4.36Å; E215-V217 PolarHBondContact O-N 2.76Å; V217-V219 HydrophobicContact CG1-CG2 3.89Å; V217-V219 PolarHBondContact O-N 3.38Å
218	V	26.9	Very low	26.6	Very low	109 Å²	109	125.7 Å²	125.7	66%	0.661	76%	0.756	S	S	*	*			trans	-79.9	96.6	169.3	-173.9	0	0	0	0	107.3	V216 V220	V216-V218 VanDerWaalsContact C-N 3.29Å; V216-V218 HydrophobicContact CG1-CG2 3.79Å; V216-V218 PolarHBondContact O-N 2.71Å; V218-V220 HydrophobicContact CG1-CG2 3.82Å; V218-V220 PolarHBondContact O-N 3.38Å; V218-V220 VanDerWaalsContact O-N 3.09Å
219	V	23.1	Very low	26.6	Very low	122 Å²	122	130.4 Å²	130.4	74%	0.739	77%	0.767	S	S	*	*			trans	-69.9	98.8	170.1	-178.6	0	0	0	0	107.9	V217 P221	V217-V219 HydrophobicContact CG1-CG2 3.89Å; V217-V219 PolarHBondContact O-N 3.38Å; V219-P221 WeakPolarHBondContact O-CD 3.49Å
220	V	26	Very low	26.4	Very low	119 Å²	119	132.4 Å²	132.4	72%	0.721	77%	0.77	S	S	*	*			trans	-96.4	114.5	167.2	-175.2	0	0	0	0	108.5	V218	V218-V220 HydrophobicContact CG1-CG2 3.82Å; V218-V220 PolarHBondContact O-N 3.38Å; V218-V220 VanDerWaalsContact O-N 3.09Å
221	P	21.3	Very low	26.4	Very low	117 Å²	117	130.1 Å²	130.1	76%	0.76	77%	0.767	S	S	*	*			trans	-76.6	130.9	175.6	28.4	-29.7	0	0	0	111	V219	V219-P221 WeakPolarHBondContact O-CD 3.49Å
222	G	26.5	Very low	26.7	Very low	71 Å²	71	130.4 Å²	130.4	73%	0.732	76%	0.761	S	S	*	*			trans	115.7	21.6	145.2	0	0	0	0	0	120.4
223	T	26.9	Very low	26.6	Very low	145 Å²	145	130.9 Å²	130.9	89%	0.89	75%	0.752	S	S	*	*			trans	-115.4	94.5	167.9	58.7	0	0	0	0	111.9
224	T	25.1	Very low	26.6	Very low	125 Å²	125	130.4 Å²	130.4	77%	0.767	75%	0.747	S	S	*	*			trans	-66.5	121.3	167.3	45.9	0	0	0	0	111.1
225	T	24.3	Very low	26.8	Very low	126 Å²	126	132.5 Å²	132.5	77%	0.773	75%	0.747	S	S	*	*			trans	51	93.8	135.2	60.7	0	0	0	0	119
226	T	27.8	Very low	27.1	Very low	137 Å²	137	129.3 Å²	129.3	84%	0.84	73%	0.732	S	S	*	*			trans	-153.7	80.5	132.1	51.8	0	0	0	0	106.4
227	S	26.5	Very low	27.2	Very low	100 Å²	100	129.3 Å²	129.3	70%	0.699	73%	0.726	S	S	*	*				42.6	102.5	104.8	-150.6	0	0	0	0	113.2
228	E	27.5	Very low	27.3	Very low	175 Å²	175	129.7 Å²	129.7	82%	0.818	73%	0.725	S	S	*	*	S	Bend	trans	66.6	93.7	153.6	-58.4	172.8	-174.6	0	0	116.9
229	M	29.4	Very low	27.6	Very low	174 Å²	174	129.9 Å²	129.9	86%	0.857	72%	0.72	S	S	*	*			trans	-179.3	2.5	137.9	-99.3	170.6	81.4	0	0	117.4
230	F	25.5	Very low	28	Very low	179 Å²	179	127.4 Å²	127.4	79%	0.785	71%	0.705	S	S	*	*			trans	-112.1	29.2	-167.2	-83.2	-75.6	0	0	0	118.6
231	D	28.2	Very low	28.3	Very low	152 Å²	152	127.8 Å²	127.8	81%	0.813	70%	0.699	S	S	*	*	S	Bend	trans	-94.7	7.1	174.6	-96.4	-25.2	0	0	0	115.5
232	N	32.2	Very low	29	Very low	126 Å²	126	126.8 Å²	126.8	67%	0.674	69%	0.688	S	S	*	*	S	Bend	trans	-95.7	-13.7	-178.3	-80.8	-30.5	0	0	0	115.6
233	D	29.7	Very low	29.7	Very low	93 Å²	93	127.7 Å²	127.7	50%	0.497	67%	0.674	S	S	.	*	H	α-helix	trans	-85.4	-21.6	-172.5	-70.3	-21.4	0	0	0	114.1	K235 Q236	D233-K235 VanDerWaalsContact C-N 3.28Å; D233-K235 PolarHBondContact O-N 3.31Å; D233-Q236 PolarHBondContact O-N 2.95Å
234	I	28.5	Very low	30.7	Very low	142 Å²	142	124.2 Å²	124.2	73%	0.728	66%	0.656	S	S	*	*	H	α-helix	trans	-71.4	-24.1	177.2	-63.3	-174.2	0	0	0	111.9
235	K	31.3	Very low	31.2	Very low	167 Å²	167	125.3 Å²	125.3	73%	0.726	65%	0.65	S	S	*	*	H	α-helix	trans	-87.1	-18.9	175.3	-73.6	-177.1	179.6	174.4	0	113.9	D233	D233-K235 VanDerWaalsContact C-N 3.28Å; D233-K235 PolarHBondContact O-N 3.31Å
236	Q	29.9	Very low	32.1	Very low	111 Å²	111	124.2 Å²	124.2	52%	0.519	64%	0.639	S	S	.	*	H	α-helix	trans	-76.8	-28.4	177	-77.8	-84.8	1.5	0	0	112.8	D233 N238 M239 T240	D233-Q236 PolarHBondContact O-N 2.95Å; Q236-N238 VanDerWaalsContact C-N 3.34Å; Q236-N238 PolarHBondContact O-N 3.19Å; Q236-M239 PolarHBondContact O-N 3.41Å; Q236-T240 PolarHBondContact O-N 3.43Å; Q236-T240 PolarHBondContact O-OG1 3.2Å
237	I	28.4	Very low	32.8	Very low	115 Å²	115	123.5 Å²	123.5	59%	0.59	63%	0.626	S	S	*	*	H	α-helix	trans	-66.2	-35.6	-179.3	-63.8	169.6	0	0	0	111.6	T240	I237-T240 PolarHBondContact O-OG1 3.19Å
238	N	28.5	Very low	33.3	Very low	118 Å²	118	123.9 Å²	123.9	63%	0.631	62%	0.62	S	S	*	*	H	α-helix	trans	-80.8	-14.4	179.9	-114.9	-11.2	0	0	0	114.4	Q236	Q236-N238 VanDerWaalsContact C-N 3.34Å; Q236-N238 PolarHBondContact O-N 3.19Å
239	M	32.9	Very low	34	Very low	113 Å²	113	123.4 Å²	123.4	56%	0.557	62%	0.615	S	S	*	*	H	α-helix	trans	-90	-32.2	174.1	-79.7	-162.9	-93	0	0	112.5	Q236 N242 I243	Q236-M239 PolarHBondContact O-N 3.41Å; M239-N242 PolarHBondContact O-N 2.83Å; M239-I243 WeakPolarHBondContact O-CD1 3.49Å; M239-I243 VanDerWaalsContact O-CG1 3.25Å; M239-I243 WeakPolarHBondContact O-CG1 3.31Å; M239-I243 PolarHBondContact O-N 3.22Å; M239-I243 VanDerWaalsContact O-N 3.13Å
240	T	30.9	Very low	34.5	Very low	71 Å²	71	119.5 Å²	119.5	44%	0.436	60%	0.597	S	S	.	*	H	α-helix	trans	-68.5	-41.9	-178.7	38.9	0	0	0	0	112.7	Q236 I237 N242 I243 S244	Q236-T240 PolarHBondContact O-N 3.43Å; Q236-T240 PolarHBondContact O-OG1 3.2Å; I237-T240 PolarHBondContact O-OG1 3.19Å; T240-N242 VanDerWaalsContact C-N 3.3Å; T240-N242 PolarHBondContact O-N 3.33Å; T240-I243 PolarHBondContact O-N 3.03Å; T240-S244 PolarHBondContact O-N 3.19Å; T240-S244 PolarHBondContact O-OG 2.89Å
241	E	33.9	Very low	35.4	Very low	127 Å²	127	119 Å²	119	59%	0.593	59%	0.59	S	S	*	*	H	α-helix	trans	-61.5	-34.8	177.5	-81.4	-164.6	154.3	0	0	113.8	K245	E241-K245 PolarHBondContact O-N 3.24Å
242	N	35.1	Very low	35.9	Very low	96 Å²	96	115.7 Å²	115.7	51%	0.513	57%	0.571	S	S	.	*	H	α-helix	trans	-78.9	-35.7	179.9	-79.8	-37.5	0	0	0	112.6	M239 T240 S244 K245 I246	M239-N242 PolarHBondContact O-N 2.83Å; T240-N242 VanDerWaalsContact C-N 3.3Å; T240-N242 PolarHBondContact O-N 3.33Å; N242-S244 VanDerWaalsContact C-N 3.33Å; N242-K245 PolarHBondContact O-N 2.82Å; N242-I246 WeakPolarHBondContact O-CG1 3.34Å; N242-I246 PolarHBondContact O-N 3.36Å
243	I	41	Very low	36.2	Very low	89 Å²	89	111.8 Å²	111.8	46%	0.456	55%	0.554	S	S	.	*	H	α-helix	trans	-64.3	-40.9	174.4	-67.3	166.7	0	0	0	110.1	M239 T240 K245 I246 Q247	M239-I243 WeakPolarHBondContact O-CD1 3.49Å; M239-I243 VanDerWaalsContact O-CG1 3.25Å; M239-I243 WeakPolarHBondContact O-CG1 3.31Å; M239-I243 PolarHBondContact O-N 3.22Å; M239-I243 VanDerWaalsContact O-N 3.13Å; T240-I243 PolarHBondContact O-N 3.03Å; I243-K245 PolarHBondContact O-N 3.39Å; I243-I246 PolarHBondContact O-N 2.75Å; I243-Q247 HydrophobicContact CG2-CG 4.18Å; I243-Q247 WeakPolarHBondContact O-CB 3.45Å; I243-Q247 PolarHBondContact O-N 2.84Å
244	S	47.7	Very low	36.7	Very low	72 Å²	72	111.3 Å²	111.3	50%	0.503	56%	0.555	S	S	.	*	H	α-helix	trans	-60.2	-42.3	178.2	-55.6	0	0	0	0	112.4	T240 N242 L248	T240-S244 PolarHBondContact O-N 3.19Å; T240-S244 PolarHBondContact O-OG 2.89Å; N242-S244 VanDerWaalsContact C-N 3.33Å; S244-L248 WeakPolarHBondContact O-CB 3.35Å; S244-L248 PolarHBondContact O-N 3.45Å
245	K	35.6	Very low	37.1	Very low	148 Å²	148	109.1 Å²	109.1	64%	0.643	54%	0.544	S	S	*	.	H	α-helix	trans	-67.3	-40.9	178.4	-77.8	176.8	-179.8	167.2	0	112.7	E241 N242 I243 K249	E241-K245 PolarHBondContact O-N 3.24Å; N242-K245 PolarHBondContact O-N 2.82Å; I243-K245 PolarHBondContact O-N 3.39Å; K245-K249 WeakPolarHBondContact O-CB 3.39Å; K245-K249 PolarHBondContact O-N 3.44Å
246	I	44	Very low	37.5	Very low	104 Å²	104	109.4 Å²	109.4	53%	0.533	54%	0.54	S	S	.	.	H	α-helix	trans	-70.2	-43.5	179.5	-67.1	168.7	0	0	0	110.9	N242 I243 L248 K249 N250	N242-I246 WeakPolarHBondContact O-CG1 3.34Å; N242-I246 PolarHBondContact O-N 3.36Å; I243-I246 PolarHBondContact O-N 2.75Å; I246-L248 VanDerWaalsContact C-N 3.33Å; I246-L248 PolarHBondContact O-N 3.18Å; I246-K249 PolarHBondContact O-N 3.37Å; I246-N250 WeakPolarHBondContact O-CB 3.26Å; I246-N250 PolarHBondContact O-N 2.93Å
247	Q	42.1	Very low	38	Very low	121 Å²	121	111.3 Å²	111.3	57%	0.565	55%	0.546	S	S	*	.	H	α-helix	trans	-62.8	-39.6	176.5	-78.9	-173.1	-32.2	0	0	112.1	I243 N250 R251	I243-Q247 HydrophobicContact CG2-CG 4.18Å; I243-Q247 WeakPolarHBondContact O-CB 3.45Å; I243-Q247 PolarHBondContact O-N 2.84Å; Q247-N250 PolarHBondContact O-N 3.31Å; Q247-R251 WeakPolarHBondContact O-CB 3.23Å; Q247-R251 WeakPolarHBondContact O-CG 3.44Å; Q247-R251 PolarHBondContact O-N 2.86Å
248	L	37.6	Very low	38.6	Very low	109 Å²	109	109.2 Å²	109.2	57%	0.571	54%	0.539	S	S	*	.	H	α-helix	trans	-65.3	-43.7	176.5	-159	77.7	0	0	0	111.5	S244 I246 N250 R251 I252	S244-L248 WeakPolarHBondContact O-CB 3.35Å; S244-L248 PolarHBondContact O-N 3.45Å; I246-L248 VanDerWaalsContact C-N 3.33Å; I246-L248 PolarHBondContact O-N 3.18Å; L248-N250 VanDerWaalsContact C-N 3.34Å; L248-N250 PolarHBondContact O-N 3.34Å; L248-R251 PolarHBondContact O-N 2.93Å; L248-I252 HydrophobicContact CG-CD1 4.31Å; L248-I252 VanDerWaalsContact O-CG1 3.32Å; L248-I252 WeakPolarHBondContact O-CG1 3.43Å; L248-I252 PolarHBondContact O-N 3.35Å
249	K	41.6	Very low	39	Very low	165 Å²	165	108.3 Å²	108.3	72%	0.717	53%	0.533	S	S	*	.	H	α-helix	trans	-63.6	-39.9	177.9	-153.6	176.4	-173.1	-178.7	0	111.7	K245 I246 S253	K245-K249 WeakPolarHBondContact O-CB 3.39Å; K245-K249 PolarHBondContact O-N 3.44Å; I246-K249 PolarHBondContact O-N 3.37Å; K249-S253 WeakPolarHBondContact O-CB 3.49Å; K249-S253 PolarHBondContact O-N 2.86Å
250	N	39.2	Very low	39.2	Very low	92 Å²	92	106.5 Å²	106.5	49%	0.492	53%	0.532	S	S	.	.	H	α-helix	trans	-66.3	-44	174.6	-73.3	-12.6	0	0	0	111.5	I246 Q247 L248 I252 S253 T254	I246-N250 WeakPolarHBondContact O-CB 3.26Å; I246-N250 PolarHBondContact O-N 2.93Å; Q247-N250 PolarHBondContact O-N 3.31Å; L248-N250 VanDerWaalsContact C-N 3.34Å; L248-N250 PolarHBondContact O-N 3.34Å; N250-I252 PolarHBondContact O-N 3.09Å; N250-S253 WeakPolarHBondContact O-CB 3.26Å; N250-S253 PolarHBondContact O-N 3.43Å; N250-S253 VanDerWaalsContact O-N 3.14Å; N250-S253 PolarHBondContact O-OG 3.44Å; N250-T254 PolarHBondContact O-N 2.97Å; N250-T254 PolarHBondContact O-OG1 3.43Å
251	R	45.4	Very low	39.7	Very low	169 Å²	169	107 Å²	107	64%	0.638	54%	0.535	S	S	*	.	H	α-helix	trans	-61	-43.5	176.4	-79	178.3	74.6	124.9	-4.1	112.5	Q247 L248 S253 T254 I255	Q247-R251 WeakPolarHBondContact O-CB 3.23Å; Q247-R251 WeakPolarHBondContact O-CG 3.44Å; Q247-R251 PolarHBondContact O-N 2.86Å; L248-R251 PolarHBondContact O-N 2.93Å; R251-S253 VanDerWaalsContact C-N 3.3Å; R251-S253 PolarHBondContact O-N 2.93Å; R251-T254 PolarHBondContact O-N 3.34Å; R251-I255 WeakPolarHBondContact O-CG1 3.27Å; R251-I255 PolarHBondContact O-N 3.01Å
252	I	37.8	Very low	39.7	Very low	81 Å²	81	106.3 Å²	106.3	42%	0.415	54%	0.536	S	S	.	.	H	α-helix	trans	-62.6	-39.6	175.4	-66.8	167.2	0	0	0	110.6	L248 N250 T254 I255 R256	L248-I252 HydrophobicContact CG-CD1 4.31Å; L248-I252 VanDerWaalsContact O-CG1 3.32Å; L248-I252 WeakPolarHBondContact O-CG1 3.43Å; L248-I252 PolarHBondContact O-N 3.35Å; N250-I252 PolarHBondContact O-N 3.09Å; I252-T254 VanDerWaalsContact C-N 3.34Å; I252-T254 PolarHBondContact O-N 2.76Å; I252-I255 PolarHBondContact O-N 3.44Å; I252-R256 WeakPolarHBondContact O-CB 3.32Å; I252-R256 PolarHBondContact O-N 2.86Å
253	S	39.5	Very low	39.6	Very low	44 Å²	44	108 Å²	108	31%	0.308	54%	0.544	S	S	.	.	H	α-helix	trans	-65.2	-36.7	176	83.4	0	0	0	0	112.6	K249 N250 R251 R256 K257	K249-S253 WeakPolarHBondContact O-CB 3.49Å; K249-S253 PolarHBondContact O-N 2.86Å; N250-S253 WeakPolarHBondContact O-CB 3.26Å; N250-S253 PolarHBondContact O-N 3.43Å; N250-S253 VanDerWaalsContact O-N 3.14Å; N250-S253 PolarHBondContact O-OG 3.44Å; R251-S253 VanDerWaalsContact C-N 3.3Å; R251-S253 PolarHBondContact O-N 2.93Å; S253-R256 PolarHBondContact O-N 2.59Å; S253-K257 WeakPolarHBondContact O-CG 3.43Å; S253-K257 PolarHBondContact O-N 2.88Å
254	T	40.6	Very low	39.2	Very low	84 Å²	84	110.2 Å²	110.2	52%	0.515	56%	0.557	S	S	.	*	H	α-helix	trans	-66	-49	175.4	-50.3	0	0	0	0	110.2	N250 R251 I252 R256 K257 T258	N250-T254 PolarHBondContact O-N 2.97Å; N250-T254 PolarHBondContact O-OG1 3.43Å; R251-T254 PolarHBondContact O-N 3.34Å; I252-T254 VanDerWaalsContact C-N 3.34Å; I252-T254 PolarHBondContact O-N 2.76Å; T254-R256 VanDerWaalsContact C-N 3.29Å; T254-R256 PolarHBondContact O-N 3.23Å; T254-K257 WeakPolarHBondContact O-CB 3.21Å; T254-K257 PolarHBondContact O-N 3.15Å; T254-T258 PolarHBondContact O-N 3.28Å; T254-T258 PolarHBondContact O-OG1 3.36Å
255	I	36.7	Very low	38.5	Very low	96 Å²	96	115.3 Å²	115.3	49%	0.492	57%	0.57	S	S	.	*	H	α-helix	trans	-57	-43.4	176.9	-67	165.5	0	0	0	110.8	R251 I252 K257 T258 I259	R251-I255 WeakPolarHBondContact O-CG1 3.27Å; R251-I255 PolarHBondContact O-N 3.01Å; I252-I255 PolarHBondContact O-N 3.44Å; I255-K257 VanDerWaalsContact C-N 3.32Å; I255-K257 PolarHBondContact O-N 3.24Å; I255-T258 PolarHBondContact O-N 3.23Å; I255-I259 HydrophobicContact CG2-CD1 3.72Å; I255-I259 HydrophobicContact CG2-CG1 4.43Å; I255-I259 VanDerWaalsContact O-CG1 3.31Å; I255-I259 WeakPolarHBondContact O-CG1 3.45Å; I255-I259 PolarHBondContact O-N 3.28Å
256	R	38.7	Very low	38.1	Very low	172 Å²	172	117.3 Å²	117.3	65%	0.649	58%	0.579	S	S	*	*	H	α-helix	trans	-62.8	-37.4	177.4	-166.8	179.9	-65.9	139.2	-0.8	112.3	I252 S253 T254 S260	I252-R256 WeakPolarHBondContact O-CB 3.32Å; I252-R256 PolarHBondContact O-N 2.86Å; S253-R256 PolarHBondContact O-N 2.59Å; T254-R256 VanDerWaalsContact C-N 3.29Å; T254-R256 PolarHBondContact O-N 3.23Å; R256-S260 WeakPolarHBondContact O-CB 3.37Å; R256-S260 PolarHBondContact O-N 3.5Å; R256-S260 VanDerWaalsContact O-N 3.08Å
257	K	41.7	Very low	37.4	Very low	151 Å²	151	121 Å²	121	66%	0.657	59%	0.592	S	S	*	*	H	α-helix	trans	-67.4	-43	174.7	-75.3	179.1	179.5	-178.6	0	111.7	S253 T254 I255 I259 S260 T261	S253-K257 WeakPolarHBondContact O-CG 3.43Å; S253-K257 PolarHBondContact O-N 2.88Å; T254-K257 WeakPolarHBondContact O-CB 3.21Å; T254-K257 PolarHBondContact O-N 3.15Å; I255-K257 VanDerWaalsContact C-N 3.32Å; I255-K257 PolarHBondContact O-N 3.24Å; K257-I259 PolarHBondContact O-N 2.89Å; K257-S260 PolarHBondContact O-N 3.38Å; K257-T261 PolarHBondContact O-N 2.95Å; K257-T261 PolarHBondContact O-OG1 3.45Å
258	T	40	Very low	36.7	Very low	71 Å²	71	122.7 Å²	122.7	44%	0.436	60%	0.599	S	S	.	*	H	α-helix	trans	-64.7	-40.1	179.7	-19.4	0	0	0	0	112.1	T254 I255 T261 N262	T254-T258 PolarHBondContact O-N 3.28Å; T254-T258 PolarHBondContact O-OG1 3.36Å; I255-T258 PolarHBondContact O-N 3.23Å; T258-T261 PolarHBondContact O-N 3.19Å; T258-T261 PolarHBondContact O-OG1 3.27Å; T258-N262 PolarHBondContact O-N 3.33Å
259	I	37.3	Very low	36.3	Very low	99 Å²	99	124.4 Å²	124.4	51%	0.508	61%	0.609	S	S	.	*	H	α-helix	trans	-65.9	-40.6	175.9	-64.8	168	0	0	0	110.3	I255 K257 T261 N262	I255-I259 HydrophobicContact CG2-CD1 3.72Å; I255-I259 HydrophobicContact CG2-CG1 4.43Å; I255-I259 VanDerWaalsContact O-CG1 3.31Å; I255-I259 WeakPolarHBondContact O-CG1 3.45Å; I255-I259 PolarHBondContact O-N 3.28Å; K257-I259 PolarHBondContact O-N 2.89Å; I259-T261 VanDerWaalsContact C-N 3.32Å; I259-T261 PolarHBondContact O-N 3Å; I259-N262 PolarHBondContact O-N 3.03Å
260	S	37.7	Very low	35.7	Very low	76 Å²	76	120 Å²	120	53%	0.531	61%	0.611	S	S	.	*	H	α-helix	trans	-64.7	-33.9	177.2	-162.6	0	0	0	0	112.8	R256 K257	R256-S260 WeakPolarHBondContact O-CB 3.37Å; R256-S260 PolarHBondContact O-N 3.5Å; R256-S260 VanDerWaalsContact O-N 3.08Å; K257-S260 PolarHBondContact O-N 3.38Å
261	T	39.8	Very low	35.3	Very low	81 Å²	81	121.6 Å²	121.6	50%	0.497	63%	0.629	S	S	.	*	H	α-helix	trans	-80.5	-18.6	179.6	53.1	0	0	0	0	114.2	K257 T258 I259	K257-T261 PolarHBondContact O-N 2.95Å; K257-T261 PolarHBondContact O-OG1 3.45Å; T258-T261 PolarHBondContact O-N 3.19Å; T258-T261 PolarHBondContact O-OG1 3.27Å; I259-T261 VanDerWaalsContact C-N 3.32Å; I259-T261 PolarHBondContact O-N 3Å
262	N	35.7	Very low	34.5	Very low	113 Å²	113	121.1 Å²	121.1	60%	0.604	64%	0.637	S	S	*	*	H	α-helix	trans	-80.8	-23.1	178.1	-78.2	-11.6	0	0	0	112.6	T258 I259 D264	T258-N262 PolarHBondContact O-N 3.33Å; I259-N262 PolarHBondContact O-N 3.03Å; N262-D264 VanDerWaalsContact C-N 3.28Å; N262-D264 PolarHBondContact O-N 3.1Å
263	N	32.5	Very low	34.3	Very low	130 Å²	130	120.6 Å²	120.6	70%	0.695	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-13	179	-70	-12.5	0	0	0	113.7
264	D	31.6	Very low	34.3	Very low	137 Å²	137	123 Å²	123	73%	0.733	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	4.1	-177.8	-73.2	-29	0	0	0	114.7	N262 K266	N262-D264 VanDerWaalsContact C-N 3.28Å; N262-D264 PolarHBondContact O-N 3.1Å; D264-K266 PolarHBondContact O-N 3.02Å
265	K	32.5	Very low	34.1	Very low	178 Å²	178	124.8 Å²	124.8	77%	0.774	66%	0.664	S	S	*	*			trans	-98.2	73.4	174.9	-67.6	-169.9	-179.3	-179.6	0	111.8	F267	K265-F267 PolarHBondContact O-N 2.9Å
266	K	27.6	Very low	34.1	Very low	190 Å²	190	124.6 Å²	124.6	83%	0.826	67%	0.667	S	S	*	*			trans	-71.1	89.6	155.9	-79	-179.2	174.2	177.9	0	109.3	D264	D264-K266 PolarHBondContact O-N 3.02Å
267	F	29.1	Very low	33.8	Very low	183 Å²	183	122 Å²	122	80%	0.803	67%	0.665	S	S	*	*			trans	-159.5	104.7	159.5	-91.1	-74.1	0	0	0	107.4	K265	K265-F267 PolarHBondContact O-N 2.9Å
268	E	27.8	Very low	33.4	Very low	155 Å²	155	120 Å²	120	72%	0.724	66%	0.662	S	S	*	*				64.6	114.2	105	-78.3	-166.9	152.5	0	0	114.9
269	N	30.5	Very low	33.3	Very low	146 Å²	146	123.3 Å²	123.3	78%	0.781	67%	0.673	S	S	*	*			trans	66.2	89.5	145.2	-56.8	-20.4	0	0	0	118.2
270	G	28.9	Very low	33	Very low	73 Å²	73	126.4 Å²	126.4	75%	0.753	68%	0.679	S	S	*	*				63.9	90	122.2	0	0	0	0	0	117.4
271	S	30.4	Very low	32.7	Very low	124 Å²	124	127.2 Å²	127.2	87%	0.867	68%	0.678	S	S	*	*			trans	174.7	107.4	134.4	-75.3	0	0	0	0	107.5	S273	S271-S273 PolarHBondContact O-N 3.45Å
272	I	27.9	Very low	32.4	Very low	159 Å²	159	128.7 Å²	128.7	82%	0.815	68%	0.682	S	S	*	*			trans	-74.7	106.8	176.9	-65.8	163.9	0	0	0	106.9	V276	I272-V276 HydrophobicContact CG2-CB 4.5Å
273	S	33.4	Very low	32.4	Very low	71 Å²	71	128.1 Å²	128.1	50%	0.497	68%	0.679	S	S	.	*			trans	-65.3	139.9	171.5	-171.6	0	0	0	0	109.7	S271 D275 V276	S271-S273 PolarHBondContact O-N 3.45Å; S273-D275 PolarHBondContact O-N 2.9Å; S273-V276 PolarHBondContact O-N 3.08Å
274	S	39.7	Very low	32.3	Very low	93 Å²	93	125.1 Å²	125.1	65%	0.65	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.3	-14.2	-177.3	-170	0	0	0	0	114.5	V276 L277	S274-V276 PolarHBondContact O-N 3.24Å; S274-L277 PolarHBondContact O-N 2.74Å
275	D	37.6	Very low	32.5	Very low	122 Å²	122	123 Å²	123	65%	0.652	66%	0.661	S	S	*	*	H	α-helix	trans	-71.5	-13.8	179.8	-58.9	-37.3	0	0	0	113.6	S273	S273-D275 PolarHBondContact O-N 2.9Å
276	V	36.2	Very low	32.8	Very low	92 Å²	92	120.2 Å²	120.2	56%	0.558	65%	0.651	S	S	*	*	H	α-helix	trans	-79.1	-24.9	179	-177.3	0	0	0	0	112.1	I272 S273 S274 Y280	I272-V276 HydrophobicContact CG2-CB 4.5Å; S273-V276 PolarHBondContact O-N 3.08Å; S274-V276 PolarHBondContact O-N 3.24Å; V276-Y280 PolarHBondContact O-N 3.19Å
277	L	32.3	Very low	33.1	Very low	117 Å²	117	116.1 Å²	116.1	61%	0.613	64%	0.637	S	S	*	*	H	α-helix	trans	-76.3	-34.2	-176.9	-167.2	60.6	0	0	0	112.4	S274 Y280	S274-L277 PolarHBondContact O-N 2.74Å; L277-Y280 PolarHBondContact O-N 3.42Å
278	D	33.4	Very low	33.2	Very low	110 Å²	110	115.4 Å²	115.4	59%	0.588	63%	0.63	S	S	*	*	H	α-helix	trans	-76.6	-26.4	179.1	-72.4	-17.5	0	0	0	112.8	N282	D278-N282 PolarHBondContact O-ND2 2.88Å
279	Q	36.5	Very low	33.4	Very low	141 Å²	141	114.4 Å²	114.4	66%	0.659	63%	0.625	S	S	*	*	H	α-helix	trans	-73	-28.8	170.3	-86.5	-173.6	3.4	0	0	113	N281 N283	Q279-N281 VanDerWaalsContact C-N 3.33Å; Q279-N281 PolarHBondContact O-N 3.23Å; Q279-N283 PolarHBondContact O-ND2 3.4Å
280	Y	31.4	Very low	33.5	Very low	163 Å²	163	110.1 Å²	110.1	64%	0.639	61%	0.607	S	S	*	*	H	α-helix	trans	-69	-33.8	179.8	-160.7	-95.3	0	0	0	112.3	V276 L277 S284	V276-Y280 PolarHBondContact O-N 3.19Å; L277-Y280 PolarHBondContact O-N 3.42Å; Y280-S284 PolarHBondContact O-OG 2.9Å
281	N	30.9	Very low	33.6	Very low	94 Å²	94	111.9 Å²	111.9	50%	0.503	60%	0.596	S	S	.	*	H	α-helix	trans	-78.6	-28.5	-178.4	-73	-26.2	0	0	0	113.7	Q279 T285	Q279-N281 VanDerWaalsContact C-N 3.33Å; Q279-N281 PolarHBondContact O-N 3.23Å; N281-T285 PolarHBondContact O-OG1 3.22Å
282	N	33.7	Very low	33.5	Very low	111 Å²	111	109.2 Å²	109.2	59%	0.594	57%	0.574	S	S	*	*	H	α-helix	trans	-77.1	-27	177.4	-67.5	-28.4	0	0	0	112.9	D278	D278-N282 PolarHBondContact O-ND2 2.88Å
283	N	35.4	Very low	33.6	Very low	101 Å²	101	105.2 Å²	105.2	54%	0.54	56%	0.557	S	S	.	*	H	α-helix	trans	-78.4	-22.9	178.6	-66.6	-19.7	0	0	0	113.2	Q279 L287	Q279-N283 PolarHBondContact O-ND2 3.4Å; N283-L287 WeakPolarHBondContact O-CB 3.22Å; N283-L287 PolarHBondContact O-N 2.74Å; N283-L287 VanDerWaalsContact O-N 3.1Å
284	S	32.2	Very low	33.6	Very low	67 Å²	67	107.3 Å²	107.3	47%	0.469	56%	0.562	S	S	.	*	H	α-helix	trans	-72.3	-33.1	179.2	-64	0	0	0	0	112.1	Y280	Y280-S284 PolarHBondContact O-OG 2.9Å
285	T	35	Very low	33	Very low	93 Å²	93	108.7 Å²	108.7	57%	0.571	56%	0.561	S	S	*	*	H	α-helix	trans	-74.1	-39.5	177.7	-28.3	0	0	0	0	111.5	N281 L287 Y288 E289	N281-T285 PolarHBondContact O-OG1 3.22Å; T285-L287 VanDerWaalsContact C-N 3.32Å; T285-L287 PolarHBondContact O-N 3.36Å; T285-Y288 PolarHBondContact O-N 3.26Å; T285-E289 PolarHBondContact O-N 2.92Å
286	E	38	Very low	32.6	Very low	120 Å²	120	106.7 Å²	106.7	56%	0.561	55%	0.553	S	S	*	*	H	α-helix	trans	-71.7	-24.6	175.4	-71.4	-170.3	175	0	0	113	Y288 S290	E286-Y288 VanDerWaalsContact C-N 3.33Å; E286-S290 VanDerWaalsContact O-CB 3.28Å; E286-S290 WeakPolarHBondContact O-CB 3.44Å; E286-S290 PolarHBondContact O-N 3.23Å; E286-S290 PolarHBondContact O-OG 3.44Å
287	L	34.8	Very low	32.2	Very low	103 Å²	103	107.5 Å²	107.5	54%	0.539	56%	0.555	S	S	.	*	H	α-helix	trans	-68.2	-33.5	174.9	-155.5	82.3	0	0	0	111.8	N283 T285 Q291	N283-L287 WeakPolarHBondContact O-CB 3.22Å; N283-L287 PolarHBondContact O-N 2.74Å; N283-L287 VanDerWaalsContact O-N 3.1Å; T285-L287 VanDerWaalsContact C-N 3.32Å; T285-L287 PolarHBondContact O-N 3.36Å; L287-Q291 WeakPolarHBondContact O-CB 3.29Å; L287-Q291 WeakPolarHBondContact O-CG 3.39Å; L287-Q291 PolarHBondContact O-N 3.33Å
288	Y	30	Very low	32.1	Very low	169 Å²	169	110 Å²	110	66%	0.663	56%	0.561	S	S	*	*	H	α-helix	trans	-74	-36.2	178.7	-164	-102	0	0	0	112.1	T285 E286 T292	T285-Y288 PolarHBondContact O-N 3.26Å; E286-Y288 VanDerWaalsContact C-N 3.33Å; Y288-T292 HydrophobicContact CE1-CG2 4.49Å; Y288-T292 WeakPolarHBondContact O-CG2 3.42Å; Y288-T292 PolarHBondContact O-N 3.5Å; Y288-T292 VanDerWaalsContact O-N 3.15Å; Y288-T292 PolarHBondContact O-OG1 3.35Å
289	E	32.2	Very low	31.7	Very low	133 Å²	133	113 Å²	113	62%	0.621	57%	0.569	S	S	*	*	H	α-helix	trans	-74.8	-31.5	174.1	-67.8	-171.7	167	0	0	112.7	T285 T292 T293	T285-E289 PolarHBondContact O-N 2.92Å; E289-T292 WeakPolarHBondContact CA-OG1 3.45Å; E289-T292 PolarHBondContact O-OG1 2.88Å; E289-T293 PolarHBondContact O-N 2.75Å; E289-T293 PolarHBondContact O-OG1 3.26Å
290	S	33	Very low	31.2	Very low	56 Å²	56	112.6 Å²	112.6	39%	0.392	57%	0.567	S	S	.	*	H	α-helix	trans	-69	-38.8	172	-57.1	0	0	0	0	111.9	E286 T293 I294	E286-S290 VanDerWaalsContact O-CB 3.28Å; E286-S290 WeakPolarHBondContact O-CB 3.44Å; E286-S290 PolarHBondContact O-N 3.23Å; E286-S290 PolarHBondContact O-OG 3.44Å; S290-T293 WeakPolarHBondContact CA-OG1 3.28Å; S290-T293 PolarHBondContact O-N 3.33Å; S290-T293 PolarHBondContact O-OG1 2.87Å; S290-I294 WeakPolarHBondContact O-CD1 3.05Å; S290-I294 VanDerWaalsContact O-CG1 3.24Å; S290-I294 WeakPolarHBondContact O-CG1 3.42Å; S290-I294 PolarHBondContact O-N 3.5Å
291	Q	31.3	Very low	31.4	Very low	111 Å²	111	110.1 Å²	110.1	52%	0.519	57%	0.568	S	S	.	*	H	α-helix	trans	-68.3	-36.4	177.6	-76.6	176.3	19.8	0	0	112.1	L287 I294 L295	L287-Q291 WeakPolarHBondContact O-CB 3.29Å; L287-Q291 WeakPolarHBondContact O-CG 3.39Å; L287-Q291 PolarHBondContact O-N 3.33Å; Q291-I294 PolarHBondContact O-N 2.96Å; Q291-L295 WeakPolarHBondContact O-CB 3.3Å; Q291-L295 PolarHBondContact O-N 2.93Å
292	T	27.6	Very low	31.3	Very low	67 Å²	67	109.1 Å²	109.1	41%	0.411	56%	0.563	S	S	.	*	H	α-helix	trans	-70.8	-32	177.2	53.5	0	0	0	0	112.7	Y288 E289 T296	Y288-T292 HydrophobicContact CE1-CG2 4.49Å; Y288-T292 WeakPolarHBondContact O-CG2 3.42Å; Y288-T292 PolarHBondContact O-N 3.5Å; Y288-T292 VanDerWaalsContact O-N 3.15Å; Y288-T292 PolarHBondContact O-OG1 3.35Å; E289-T292 WeakPolarHBondContact CA-OG1 3.45Å; E289-T292 PolarHBondContact O-OG1 2.88Å; T292-T296 WeakPolarHBondContact O-CB 3.36Å; T292-T296 WeakPolarHBondContact O-CG2 3.15Å; T292-T296 PolarHBondContact O-N 2.95Å; T292-T296 PolarHBondContact O-OG1 3.29Å
293	T	31.3	Very low	31.1	Very low	75 Å²	75	108.6 Å²	108.6	46%	0.46	57%	0.574	S	S	.	*	H	α-helix	trans	-73.9	-32.4	172.1	43.1	0	0	0	0	113.2	E289 S290 T296 N297	E289-T293 PolarHBondContact O-N 2.75Å; E289-T293 PolarHBondContact O-OG1 3.26Å; S290-T293 WeakPolarHBondContact CA-OG1 3.28Å; S290-T293 PolarHBondContact O-N 3.33Å; S290-T293 PolarHBondContact O-OG1 2.87Å; T293-T296 WeakPolarHBondContact CA-OG1 3.5Å; T293-T296 PolarHBondContact O-OG1 2.93Å; T293-N297 WeakPolarHBondContact O-CB 2.9Å; T293-N297 PolarHBondContact O-N 3.45Å; T293-N297 VanDerWaalsContact O-N 3.12Å; T293-N297 PolarHBondContact O-ND2 3.4Å
294	I	32.6	Very low	30.9	Very low	116 Å²	116	111 Å²	111	60%	0.595	58%	0.58	S	S	*	*	H	α-helix	trans	-70	-39.8	172.7	-66.4	164.8	0	0	0	111	S290 Q291 K298	S290-I294 WeakPolarHBondContact O-CD1 3.05Å; S290-I294 VanDerWaalsContact O-CG1 3.24Å; S290-I294 WeakPolarHBondContact O-CG1 3.42Å; S290-I294 PolarHBondContact O-N 3.5Å; Q291-I294 PolarHBondContact O-N 2.96Å; I294-K298 PolarHBondContact O-N 2.91Å
295	L	28	Very low	30.8	Very low	121 Å²	121	116.9 Å²	116.9	63%	0.634	59%	0.592	S	S	*	*	H	α-helix	trans	-68.8	-38.7	178.8	-142.4	78.9	0	0	0	111.6	Q291 F299	Q291-L295 WeakPolarHBondContact O-CB 3.3Å; Q291-L295 PolarHBondContact O-N 2.93Å; L295-F299 VanDerWaalsContact O-CD2 3.32Å; L295-F299 WeakPolarHBondContact O-CD2 3.06Å
296	T	27.7	Very low	30.9	Very low	80 Å²	80	117.3 Å²	117.3	49%	0.491	58%	0.583	S	S	.	*	H	α-helix	trans	-73.7	-29.2	178.9	49	0	0	0	0	113.4	T292 T293	T292-T296 WeakPolarHBondContact O-CB 3.36Å; T292-T296 WeakPolarHBondContact O-CG2 3.15Å; T292-T296 PolarHBondContact O-N 2.95Å; T292-T296 PolarHBondContact O-OG1 3.29Å; T293-T296 WeakPolarHBondContact CA-OG1 3.5Å; T293-T296 PolarHBondContact O-OG1 2.93Å
297	N	29.3	Very low	30.9	Very low	110 Å²	110	118.4 Å²	118.4	59%	0.588	58%	0.582	S	S	*	*	H	α-helix	trans	-78.7	-23.7	176.7	-84.2	-40.2	0	0	0	114.2	T293 F299	T293-N297 WeakPolarHBondContact O-CB 2.9Å; T293-N297 PolarHBondContact O-N 3.45Å; T293-N297 VanDerWaalsContact O-N 3.12Å; T293-N297 PolarHBondContact O-ND2 3.4Å; N297-F299 VanDerWaalsContact C-N 3.31Å; N297-F299 PolarHBondContact O-N 2.96Å
298	K	29.3	Very low	31.6	Very low	170 Å²	170	114.5 Å²	114.5	74%	0.739	56%	0.562	S	S	*	*	H	α-helix	trans	-75.8	-20	177.3	-158.1	166.6	-174.5	170.1	0	113.3	I294	I294-K298 PolarHBondContact O-N 2.91Å
299	F	26.3	Very low	32.5	Very low	172 Å²	172	112.6 Å²	112.6	75%	0.754	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	-1.9	176.2	-72.6	-75.6	0	0	0	114.3	L295 N297 V301	L295-F299 VanDerWaalsContact O-CD2 3.32Å; L295-F299 WeakPolarHBondContact O-CD2 3.06Å; N297-F299 VanDerWaalsContact C-N 3.31Å; N297-F299 PolarHBondContact O-N 2.96Å; F299-V301 PolarHBondContact O-N 3.47Å
300	Q	25.3	Very low	33.7	Very low	132 Å²	132	108.1 Å²	108.1	62%	0.617	55%	0.551	S	S	*	*			trans	-90.1	43.9	167.9	-70.8	-171.5	49.6	0	0	111.5	D302	Q300-D302 PolarHBondContact O-N 2.98Å
301	V	34.7	Very low	35.3	Very low	112 Å²	112	108.2 Å²	108.2	68%	0.679	56%	0.555	S	S	*	*			trans	-64.4	99	156.4	177.9	0	0	0	0	105.1	F299 A303 W306	F299-V301 PolarHBondContact O-N 3.47Å; V301-A303 PolarHBondContact O-N 3.02Å; V301-W306 HydrophobicContact CG1-CZ2 4.37Å
302	D	29	Very low	37.3	Very low	72 Å²	72	108.1 Å²	108.1	39%	0.385	56%	0.558	S	S	.	*			trans	-33.1	110.6	-173.8	-75	-74.9	0	0	0	112	Q300 K304 W306	Q300-D302 PolarHBondContact O-N 2.98Å; D302-K304 HydrophobicContact CB-CB 4.08Å; D302-K304 HydrophobicContact CB-CD 4.3Å; D302-K304 HydrophobicContact CB-CG 4.15Å; D302-K304 PolarHBondContact O-N 3.48Å; D302-K304 WeakPolarHBondContact OD1-CE 3.18Å; D302-K304 IonicContact OD1-NZ 2.75Å; D302-K304 PolarHBondContact OD1-NZ 3.5Å; D302-W306 HydrophobicContact CB-CZ2 4.18Å; D302-W306 WeakPolarHBondContact O-CZ2 3.44Å; D302-W306 PolarHBondContact O-NE1 3.25Å
303	A	29.2	Very low	39.4	Very low	101 Å²	101	110.4 Å²	110.4	84%	0.835	56%	0.562	S	S	*	*			trans	-65.8	13.7	164.9	0	0	0	0	0	112.3	V301 R305	V301-A303 PolarHBondContact O-N 3.02Å; A303-R305 PolarHBondContact O-N 3.36Å
304	K	32.6	Very low	41.6	Very low	150 Å²	150	107.5 Å²	107.5	65%	0.652	54%	0.544	S	S	*	.	S	Bend	trans	-73	93	175.9	-65.6	178.1	-176	133.2	0	109.3	D302 W306	D302-K304 HydrophobicContact CB-CB 4.08Å; D302-K304 HydrophobicContact CB-CD 4.3Å; D302-K304 HydrophobicContact CB-CG 4.15Å; D302-K304 PolarHBondContact O-N 3.48Å; D302-K304 WeakPolarHBondContact OD1-CE 3.18Å; D302-K304 IonicContact OD1-NZ 2.75Å; D302-K304 PolarHBondContact OD1-NZ 3.5Å; K304-W306 PolarHBondContact O-N 3.33Å; K304-W306 VanDerWaalsContact O-N 3.07Å
305	R	29.5	Very low	43.9	Very low	191 Å²	191	103 Å²	103	72%	0.721	52%	0.521	S	S	*	.			trans	34.4	69.7	142.7	-167.4	176.4	176.2	-172.7	0.8	114.2	A303 R307	A303-R305 PolarHBondContact O-N 3.36Å; R305-R307 VanDerWaalsContact C-N 3.34Å; R305-R307 VanDerWaalsContact NH2-NH1 3.19Å; R305-R307 PolarHBondContact O-N 3.39Å
306	W	36.8	Very low	46.4	Very low	102 Å²	102	100.9 Å²	100.9	39%	0.386	51%	0.513	S	S	.	.			trans	-74.2	85.8	178.5	-57.2	88.8	0	0	0	110.5	V301 D302 K304 L308	V301-W306 HydrophobicContact CG1-CZ2 4.37Å; D302-W306 HydrophobicContact CB-CZ2 4.18Å; D302-W306 WeakPolarHBondContact O-CZ2 3.44Å; D302-W306 PolarHBondContact O-NE1 3.25Å; K304-W306 PolarHBondContact O-N 3.33Å; K304-W306 VanDerWaalsContact O-N 3.07Å; W306-L308 VanDerWaalsContact C-N 3.3Å; W306-L308 HydrophobicContact CE3-CD1 4.33Å; W306-L308 PolarHBondContact O-N 2.85Å
307	R	38.9	Very low	48.7	Very low	144 Å²	144	98.9 Å²	98.9	54%	0.543	50%	0.5	S	S	.	.			trans	-77	88.7	154.4	-92.8	-171.8	175.1	123.3	-3.9	107.1	R305 T309 L359	R305-R307 VanDerWaalsContact C-N 3.34Å; R305-R307 VanDerWaalsContact NH2-NH1 3.19Å; R305-R307 PolarHBondContact O-N 3.39Å; R307-T309 VanDerWaalsContact C-N 3.32Å; R307-T309 HydrophobicContact CB-CG2 4.49Å; R307-T309 PolarHBondContact O-N 3.24Å; R307-L359 HydrophobicContact CG-CD1 3.68Å
308	L	49.7	Very low	51.4	Low	21 Å²	21	93.7 Å²	93.7	11%	0.11	47%	0.472	C	S	.	.			trans	-79.7	88.8	172.2	-137.1	67.4	0	0	0	107.9	W306 K313 L314 L317 L355	W306-L308 VanDerWaalsContact C-N 3.3Å; W306-L308 HydrophobicContact CE3-CD1 4.33Å; W306-L308 PolarHBondContact O-N 2.85Å; L308-K313 HydrophobicContact CD1-CB 3.41Å; L308-K313 VanDerWaalsContact CD1-CB 3.41Å; L308-K313 HydrophobicContact CD1-CD 3.85Å; L308-K313 HydrophobicContact CD1-CG 4.27Å; L308-K313 HydrophobicContact CD2-CB 4.16Å; L308-K313 HydrophobicContact CG-CB 3.65Å; L308-L314 VanDerWaalsContact CD2-CA 3.41Å; L308-L314 HydrophobicContact CD2-CB 3.75Å; L308-L314 HydrophobicContact CD2-CD1 3.99Å; L308-L314 HydrophobicContact CD2-CG 4.49Å; L308-L317 HydrophobicContact CD1-CD1 4.46Å; L308-L317 HydrophobicContact CD2-CD1 3.59Å; L308-L355 HydrophobicContact CB-CD1 3.35Å; L308-L355 HydrophobicContact CB-CD2 3.93Å; L308-L355 HydrophobicContact CB-CG 4.11Å; L308-L355 HydrophobicContact CD2-CD1 3.86Å; L308-L355 HydrophobicContact CG-CD1 4.27Å
309	T	48.3	Very low	54.1	Low	129 Å²	129	88.6 Å²	88.6	79%	0.791	45%	0.452	S	S	*	.			trans	-85.3	-23.3	176.7	51.5	0	0	0	0	112.4	R307	R307-T309 VanDerWaalsContact C-N 3.32Å; R307-T309 HydrophobicContact CB-CG2 4.49Å; R307-T309 PolarHBondContact O-N 3.24Å
310	S	56.8	Low	56.8	Low	39 Å²	39	85.9 Å²	85.9	27%	0.273	44%	0.442	S	S	.	.	S	Bend	trans	-95	133.8	177.6	61.1	0	0	0	0	111.9	D312 K313	S310-D312 PolarHBondContact O-N 3.04Å; S310-K313 PolarHBondContact O-N 3.49Å; S310-K313 WeakPolarHBondContact OG-CD 3.25Å; S310-K313 VanDerWaalsContact OG-CG 3.27Å; S310-K313 WeakPolarHBondContact OG-CG 3.49Å
311	A	67.3	Low	59.6	Low	57 Å²	57	79.7 Å²	79.7	47%	0.471	41%	0.414	S	S	.	.	H	α-helix	trans	-58.4	-33.5	173.8	0	0	0	0	0	111.7	K313 L314 N315	A311-K313 PolarHBondContact O-N 3.35Å; A311-L314 WeakPolarHBondContact O-CB 3.49Å; A311-L314 PolarHBondContact O-N 3.13Å; A311-L314 VanDerWaalsContact O-N 3.11Å; A311-N315 VanDerWaalsContact O-CG 3.31Å; A311-N315 PolarHBondContact O-N 3.24Å; A311-N315 PolarHBondContact O-ND2 3.42Å
312	D	72.6	Confident	62.3	Low	110 Å²	110	77.7 Å²	77.7	59%	0.588	40%	0.397	S	S	*	.	H	α-helix	trans	-62.4	-44.8	-178.9	-50.4	-36.3	0	0	0	112.1	S310 L314 N315 T316	S310-D312 PolarHBondContact O-N 3.04Å; D312-L314 PolarHBondContact O-N 3.34Å; D312-N315 WeakPolarHBondContact O-CB 3.37Å; D312-N315 PolarHBondContact O-N 3.27Å; D312-N315 VanDerWaalsContact O-N 3.1Å; D312-T316 WeakPolarHBondContact O-CG2 3.39Å; D312-T316 PolarHBondContact O-N 2.93Å; D312-T316 PolarHBondContact O-OG1 3.37Å
313	K	71.9	Confident	65.1	Low	114 Å²	114	81.2 Å²	81.2	50%	0.496	41%	0.405	S	S	.	.	H	α-helix	trans	-65.9	-29.6	177.5	-70.3	178.1	-176.9	179.1	0	111.9	L308 S310 A311 T316 L317	L308-K313 HydrophobicContact CD1-CB 3.41Å; L308-K313 VanDerWaalsContact CD1-CB 3.41Å; L308-K313 HydrophobicContact CD1-CD 3.85Å; L308-K313 HydrophobicContact CD1-CG 4.27Å; L308-K313 HydrophobicContact CD2-CB 4.16Å; L308-K313 HydrophobicContact CG-CB 3.65Å; S310-K313 PolarHBondContact O-N 3.49Å; S310-K313 WeakPolarHBondContact OG-CD 3.25Å; S310-K313 VanDerWaalsContact OG-CG 3.27Å; S310-K313 WeakPolarHBondContact OG-CG 3.49Å; A311-K313 PolarHBondContact O-N 3.35Å; K313-T316 WeakPolarHBondContact CA-OG1 3.24Å; K313-T316 PolarHBondContact O-OG1 3.14Å; K313-L317 WeakPolarHBondContact O-CG 3.26Å; K313-L317 PolarHBondContact O-N 3.22Å
314	L	77	Confident	67.9	Low	14 Å²	14	83.6 Å²	83.6	7%	0.073	40%	0.399	C	S	.	.	H	α-helix	trans	-68.8	-42.2	173.7	-176.9	60.1	0	0	0	110.4	L308 A311 D312 L317 I318 R347 M350	L308-L314 VanDerWaalsContact CD2-CA 3.41Å; L308-L314 HydrophobicContact CD2-CB 3.75Å; L308-L314 HydrophobicContact CD2-CD1 3.99Å; L308-L314 HydrophobicContact CD2-CG 4.49Å; A311-L314 WeakPolarHBondContact O-CB 3.49Å; A311-L314 PolarHBondContact O-N 3.13Å; A311-L314 VanDerWaalsContact O-N 3.11Å; D312-L314 PolarHBondContact O-N 3.34Å; L314-L317 PolarHBondContact O-N 3.43Å; L314-I318 HydrophobicContact CD1-CD1 4.27Å; L314-I318 HydrophobicContact CG-CD1 3.93Å; L314-I318 WeakPolarHBondContact O-CD1 3.21Å; L314-I318 VanDerWaalsContact O-CG1 3.23Å; L314-I318 WeakPolarHBondContact O-CG1 3.26Å; L314-I318 PolarHBondContact O-N 3.1Å; L314-I318 VanDerWaalsContact O-N 3.1Å; L314-R347 HydrophobicContact CD2-CG 3.69Å; L314-R347 HydrophobicContact CG-CG 4.29Å; L314-M350 HydrophobicContact CD1-CB 3.91Å; L314-M350 HydrophobicContact CD1-CG 3.61Å
315	N	81	Confident	70.2	Confident	22 Å²	22	79.3 Å²	79.3	12%	0.118	38%	0.382	C	S	.	.	H	α-helix	trans	-64.5	-45.3	178.4	-67.5	-23.1	0	0	0	111.8	A311 D312 L317 I318 D319 R347	A311-N315 VanDerWaalsContact O-CG 3.31Å; A311-N315 PolarHBondContact O-N 3.24Å; A311-N315 PolarHBondContact O-ND2 3.42Å; D312-N315 WeakPolarHBondContact O-CB 3.37Å; D312-N315 PolarHBondContact O-N 3.27Å; D312-N315 VanDerWaalsContact O-N 3.1Å; N315-L317 VanDerWaalsContact C-N 3.29Å; N315-L317 PolarHBondContact O-N 3.28Å; N315-I318 WeakPolarHBondContact O-CB 3.45Å; N315-I318 PolarHBondContact O-N 3.15Å; N315-D319 VanDerWaalsContact O-CG 3.28Å; N315-D319 PolarHBondContact O-N 2.91Å; N315-R347 VanDerWaalsContact CG-NH2 3.28Å; N315-R347 PolarHBondContact ND2-NH2 2.96Å; N315-R347 PolarHBondContact OD1-NE 2.8Å; N315-R347 PolarHBondContact OD1-NH2 3.27Å
316	T	80.7	Confident	72.8	Confident	76 Å²	76	77.7 Å²	77.7	47%	0.466	39%	0.388	S	S	.	.	H	α-helix	trans	-58.2	-41.9	175.8	57.8	0	0	0	0	111.7	D312 K313 I318 D319 E320	D312-T316 WeakPolarHBondContact O-CG2 3.39Å; D312-T316 PolarHBondContact O-N 2.93Å; D312-T316 PolarHBondContact O-OG1 3.37Å; K313-T316 WeakPolarHBondContact CA-OG1 3.24Å; K313-T316 PolarHBondContact O-OG1 3.14Å; T316-I318 VanDerWaalsContact C-N 3.3Å; T316-I318 PolarHBondContact O-N 2.99Å; T316-D319 PolarHBondContact O-N 3.39Å; T316-E320 VanDerWaalsContact O-CG 3.31Å; T316-E320 WeakPolarHBondContact O-CG 3.1Å; T316-E320 PolarHBondContact O-N 3.48Å
317	L	76.9	Confident	75	Confident	39 Å²	39	75.6 Å²	75.6	20%	0.204	40%	0.398	C	S	.	.	H	α-helix	trans	-63.1	-35.3	175.8	-75.4	174.3	0	0	0	113	L308 K313 L314 N315 C321	L308-L317 HydrophobicContact CD1-CD1 4.46Å; L308-L317 HydrophobicContact CD2-CD1 3.59Å; K313-L317 WeakPolarHBondContact O-CG 3.26Å; K313-L317 PolarHBondContact O-N 3.22Å; L314-L317 PolarHBondContact O-N 3.43Å; N315-L317 VanDerWaalsContact C-N 3.29Å; N315-L317 PolarHBondContact O-N 3.28Å; L317-C321 PolarHBondContact O-N 3.41Å; L317-C321 PolarHBondContact O-SG 3.05Å
318	I	85.5	Confident	77.1	Confident	0 Å²	0	77.2 Å²	77.2	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-74.2	-40.1	178.8	-66	161.4	0	0	0	110.7	L314 N315 T316 E320 C321 E322 Y331 K343 M346 R347	L314-I318 HydrophobicContact CD1-CD1 4.27Å; L314-I318 HydrophobicContact CG-CD1 3.93Å; L314-I318 WeakPolarHBondContact O-CD1 3.21Å; L314-I318 VanDerWaalsContact O-CG1 3.23Å; L314-I318 WeakPolarHBondContact O-CG1 3.26Å; L314-I318 PolarHBondContact O-N 3.1Å; L314-I318 VanDerWaalsContact O-N 3.1Å; N315-I318 WeakPolarHBondContact O-CB 3.45Å; N315-I318 PolarHBondContact O-N 3.15Å; T316-I318 VanDerWaalsContact C-N 3.3Å; T316-I318 PolarHBondContact O-N 2.99Å; I318-E320 VanDerWaalsContact C-N 3.31Å; I318-E320 PolarHBondContact O-N 3.31Å; I318-C321 CarbonylContact O-C 3.46Å; I318-C321 WeakPolarHBondContact O-CA 3.37Å; I318-C321 VanDerWaalsContact O-CB 3.22Å; I318-C321 WeakPolarHBondContact O-CB 3.43Å; I318-C321 PolarHBondContact O-N 3.44Å; I318-E322 PolarHBondContact O-N 3.18Å; I318-Y331 HydrophobicContact CG2-CD1 3.87Å; I318-Y331 HydrophobicContact CG2-CE1 4.27Å; I318-K343 HydrophobicContact CG2-CG 3.71Å; I318-M346 HydrophobicContact CB-CG 4.48Å; I318-M346 HydrophobicContact CG1-CG 4.18Å; I318-M346 HydrophobicContact CG2-CB 4.28Å; I318-M346 HydrophobicContact CG2-CG 3.75Å; I318-R347 VanDerWaalsContact CD1-CA 3.47Å; I318-R347 HydrophobicContact CD1-CB 3.54Å; I318-R347 HydrophobicContact CD1-CG 3.72Å
319	D	85.7	Confident	78.9	Confident	63 Å²	63	81.6 Å²	81.6	34%	0.337	42%	0.422	S	S	.	.	H	α-helix	trans	-65.3	-37.7	178.5	-68.1	-29.2	0	0	0	110.8	N315 T316 C321 E322 K343	N315-D319 VanDerWaalsContact O-CG 3.28Å; N315-D319 PolarHBondContact O-N 2.91Å; T316-D319 PolarHBondContact O-N 3.39Å; D319-C321 PolarHBondContact O-N 3.34Å; D319-E322 WeakPolarHBondContact O-CB 3.29Å; D319-E322 PolarHBondContact O-N 3.21Å; D319-E322 VanDerWaalsContact O-N 3.08Å; D319-K343 WeakPolarHBondContact OD1-CE 3.39Å; D319-K343 IonicContact OD1-NZ 2.84Å; D319-K343 PolarHBondContact OD1-NZ 3.18Å; D319-K343 IonicContact OD2-NZ 2.59Å; D319-K343 PolarHBondContact OD2-NZ 3.43Å; D319-K343 VanDerWaalsContact OD2-NZ 3.11Å
320	E	83.8	Confident	81	Confident	116 Å²	116	76.5 Å²	76.5	54%	0.542	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-14.2	170.3	-65.9	176.6	-171	0	0	114.4	T316 I318 K334	T316-E320 VanDerWaalsContact O-CG 3.31Å; T316-E320 WeakPolarHBondContact O-CG 3.1Å; T316-E320 PolarHBondContact O-N 3.48Å; I318-E320 VanDerWaalsContact C-N 3.31Å; I318-E320 PolarHBondContact O-N 3.31Å; E320-K334 VanDerWaalsContact CB-NZ 3.26Å; E320-K334 WeakPolarHBondContact O-CE 3.27Å; E320-K334 IonicContact OE2-NZ 2.79Å; E320-K334 PolarHBondContact OE2-NZ 2.83Å
321	C	84.8	Confident	82.6	Confident	2 Å²	2	75.5 Å²	75.5	1%	0.014	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-5.2	174.5	-69.2	0	0	0	0	112.3	L317 I318 D319 V332 K334 M346	L317-C321 PolarHBondContact O-N 3.41Å; L317-C321 PolarHBondContact O-SG 3.05Å; I318-C321 CarbonylContact O-C 3.46Å; I318-C321 WeakPolarHBondContact O-CA 3.37Å; I318-C321 VanDerWaalsContact O-CB 3.22Å; I318-C321 WeakPolarHBondContact O-CB 3.43Å; I318-C321 PolarHBondContact O-N 3.44Å; D319-C321 PolarHBondContact O-N 3.34Å; C321-V332 WeakPolarHBondContact CB-O 3.44Å; C321-V332 PolarHBondContact O-N 3.01Å; C321-K334 VanDerWaalsContact SG-CG 3.58Å; C321-M346 HydrophobicContact CB-CE 3.38Å; C321-M346 VanDerWaalsContact SG-CE 3.55Å
322	E	91	Very high	83.6	Confident	70 Å²	70	73.8 Å²	73.8	33%	0.327	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	132.8	177.2	-167.8	-176.4	139.2	0	0	111.1	I318 D319 K329 L330 Y331	I318-E322 PolarHBondContact O-N 3.18Å; D319-E322 WeakPolarHBondContact O-CB 3.29Å; D319-E322 PolarHBondContact O-N 3.21Å; D319-E322 VanDerWaalsContact O-N 3.08Å; E322-K329 HydrophobicContact CG-CD 4.39Å; E322-K329 HydrophobicContact CG-CG 3.89Å; E322-K329 WeakPolarHBondContact OE1-CD 3.5Å; E322-K329 WeakPolarHBondContact OE1-CE 3.47Å; E322-K329 WeakPolarHBondContact OE1-CG 3.37Å; E322-K329 IonicContact OE1-NZ 3.46Å; E322-K329 PolarHBondContact OE1-NZ 3.24Å; E322-K329 WeakPolarHBondContact OE2-CE 3.44Å; E322-K329 IonicContact OE2-NZ 2.68Å; E322-K329 PolarHBondContact OE2-NZ 2.89Å; E322-L330 CarbonylContact C-O 3.45Å; E322-L330 WeakPolarHBondContact CA-O 3.19Å; E322-Y331 HydrophobicContact CB-CD1 3.98Å; E322-Y331 HydrophobicContact CB-CE1 3.93Å; E322-Y331 HydrophobicContact CG-CD1 4.21Å; E322-Y331 HydrophobicContact CG-CE1 3.88Å
323	R	87.7	Confident	84.1	Confident	146 Å²	146	68.6 Å²	68.6	55%	0.551	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.4	141.6	176	-60.7	-167.5	-172.7	-150.6	2.9	110.1	I325 L330 V332	R323-I325 HydrophobicContact CB-CG1 4.47Å; R323-L330 PolarHBondContact N-O 3.08Å; R323-L330 CarbonylContact O-C 3.56Å; R323-L330 PolarHBondContact O-N 3.44Å; R323-V332 HydrophobicContact CB-CG2 4.21Å; R323-V332 HydrophobicContact CG-CG2 4.21Å
324	Q	87.7	Confident	84.4	Confident	151 Å²	151	68.6 Å²	68.6	71%	0.706	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	121	168.8	-163.8	173	6.3	0	0	109.7	G327 R328	Q324-G327 PolarHBondContact NE2-O 2.88Å; Q324-R328 CarbonylContact C-O 3.54Å; Q324-R328 VanDerWaalsContact CA-O 3.31Å; Q324-R328 WeakPolarHBondContact CA-O 3.44Å
325	I	80.7	Confident	84.1	Confident	59 Å²	59	73.8 Å²	73.8	30%	0.303	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	125.5	176.4	-58.2	-179.1	0	0	0	107.3	R323 G327 R328 L330 V332 I339	R323-I325 HydrophobicContact CB-CG1 4.47Å; I325-G327 PolarHBondContact O-N 2.9Å; I325-R328 PolarHBondContact N-O 3.14Å; I325-R328 PolarHBondContact O-N 3.29Å; I325-L330 HydrophobicContact CB-CD1 3.86Å; I325-L330 HydrophobicContact CD1-CD1 4.19Å; I325-L330 HydrophobicContact CG1-CD1 4.35Å; I325-L330 HydrophobicContact CG2-CD1 4.48Å; I325-V332 HydrophobicContact CD1-CG2 4.07Å; I325-I339 HydrophobicContact CD1-CD1 4.16Å
326	N	84.2	Confident	83.9	Confident	158 Å²	158	75.6 Å²	75.6	85%	0.845	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	39.7	-179.5	-56.6	-10.8	0	0	0	113.3	R328	N326-R328 PolarHBondContact O-N 3.07Å
327	G	83.9	Confident	83.8	Confident	58 Å²	58	74.2 Å²	74.2	60%	0.598	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.2	-6	-177.3	0	0	0	0	0	115.1	Q324 I325	Q324-G327 PolarHBondContact NE2-O 2.88Å; I325-G327 PolarHBondContact O-N 2.9Å
328	R	83.1	Confident	84.1	Confident	177 Å²	177	78.2 Å²	78.2	67%	0.668	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.1	139.3	-179.6	-60.6	-177.8	-178.6	164.5	1.2	111.9	Q324 I325 N326 L330	Q324-R328 CarbonylContact C-O 3.54Å; Q324-R328 VanDerWaalsContact CA-O 3.31Å; Q324-R328 WeakPolarHBondContact CA-O 3.44Å; I325-R328 PolarHBondContact N-O 3.14Å; I325-R328 PolarHBondContact O-N 3.29Å; N326-R328 PolarHBondContact O-N 3.07Å; R328-L330 PolarHBondContact O-N 2.88Å
329	K	87.5	Confident	84.2	Confident	113 Å²	113	82.7 Å²	82.7	49%	0.491	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	113.1	173.6	176.1	169.4	165.4	135.6	0	109.7	E322 Y331	E322-K329 HydrophobicContact CG-CD 4.39Å; E322-K329 HydrophobicContact CG-CG 3.89Å; E322-K329 WeakPolarHBondContact OE1-CD 3.5Å; E322-K329 WeakPolarHBondContact OE1-CE 3.47Å; E322-K329 WeakPolarHBondContact OE1-CG 3.37Å; E322-K329 IonicContact OE1-NZ 3.46Å; E322-K329 PolarHBondContact OE1-NZ 3.24Å; E322-K329 WeakPolarHBondContact OE2-CE 3.44Å; E322-K329 IonicContact OE2-NZ 2.68Å; E322-K329 PolarHBondContact OE2-NZ 2.89Å; K329-Y331 WeakPolarHBondContact CE-OH 3.31Å
330	L	91.5	Very high	84.3	Confident	22 Å²	22	81.8 Å²	81.8	12%	0.115	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	162.6	-179.8	-57.9	-178.1	0	0	0	110.3	E322 R323 I325 R328 I339 E341	E322-L330 CarbonylContact C-O 3.45Å; E322-L330 WeakPolarHBondContact CA-O 3.19Å; R323-L330 PolarHBondContact N-O 3.08Å; R323-L330 CarbonylContact O-C 3.56Å; R323-L330 PolarHBondContact O-N 3.44Å; I325-L330 HydrophobicContact CB-CD1 3.86Å; I325-L330 HydrophobicContact CD1-CD1 4.19Å; I325-L330 HydrophobicContact CG1-CD1 4.35Å; I325-L330 HydrophobicContact CG2-CD1 4.48Å; R328-L330 PolarHBondContact O-N 2.88Å; L330-I339 HydrophobicContact CB-CG2 3.87Å; L330-I339 HydrophobicContact CD1-CG2 3.7Å; L330-I339 HydrophobicContact CG-CG2 4.32Å; L330-E341 HydrophobicContact CD2-CB 3.98Å; L330-E341 HydrophobicContact CD2-CG 3.74Å
331	Y	91.1	Very high	84.6	Confident	18 Å²	18	83.1 Å²	83.1	7%	0.071	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	112.4	179	-58.6	-90.6	0	0	0	110	I318 E322 K329 I339 Y340 K343 M346	I318-Y331 HydrophobicContact CG2-CD1 3.87Å; I318-Y331 HydrophobicContact CG2-CE1 4.27Å; E322-Y331 HydrophobicContact CB-CD1 3.98Å; E322-Y331 HydrophobicContact CB-CE1 3.93Å; E322-Y331 HydrophobicContact CG-CD1 4.21Å; E322-Y331 HydrophobicContact CG-CE1 3.88Å; K329-Y331 WeakPolarHBondContact CE-OH 3.31Å; Y331-I339 CarbonylContact O-C 3.6Å; Y331-I339 WeakPolarHBondContact O-CA 3.43Å; Y331-Y340 PolarHBondContact N-O 3.31Å; Y331-Y340 PolarHBondContact O-N 2.97Å; Y331-K343 HydrophobicContact CD2-CB 4.41Å; Y331-K343 HydrophobicContact CE1-CB 4.1Å; Y331-K343 HydrophobicContact CE1-CD 4.23Å; Y331-K343 HydrophobicContact CE1-CG 3.94Å; Y331-K343 HydrophobicContact CE2-CB 3.79Å; Y331-M346 HydrophobicContact CG-CB 4.41Å
332	V	86.9	Confident	84.8	Confident	21 Å²	21	87.8 Å²	87.8	13%	0.127	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	115.2	-176.6	-173.8	0	0	0	0	110.1	C321 R323 I325 K334 I339	C321-V332 WeakPolarHBondContact CB-O 3.44Å; C321-V332 PolarHBondContact O-N 3.01Å; R323-V332 HydrophobicContact CB-CG2 4.21Å; R323-V332 HydrophobicContact CG-CG2 4.21Å; I325-V332 HydrophobicContact CD1-CG2 4.07Å; V332-K334 PolarHBondContact O-N 3.19Å; V332-K334 VanDerWaalsContact O-N 3.16Å; V332-I339 HydrophobicContact CG1-CG1 4.32Å; V332-I339 HydrophobicContact CG2-CG1 4.08Å; V332-I339 HydrophobicContact CG2-CG2 4.3Å
333	C	84.1	Confident	84.7	Confident	1 Å²	1	87.3 Å²	87.3	1%	0.007	43%	0.43	C	S	.	.			trans	-62.3	117.9	179.2	-179.2	0	0	0	0	112.5	F335 C336 G337 K338 M346 H349 H354	C333-F335 PolarHBondContact O-N 2.86Å; C333-F335 PolarHBondContact SG-N 3.41Å; C333-F335 VanDerWaalsContact SG-N 3.4Å; C333-C336 VanDerWaalsContact SG-SG 3.66Å; C333-G337 WeakPolarHBondContact O-CA 3.43Å; C333-G337 PolarHBondContact O-N 2.78Å; C333-K338 PolarHBondContact N-O 3.31Å; C333-M346 HydrophobicContact CB-CE 3.77Å; C333-M346 HydrophobicContact CB-SD 3.97Å; C333-H349 PolarHBondContact SG-NE2 3.42Å; C333-H354 VanDerWaalsContact SG-CD2 3.58Å; C333-H354 PolarHBondContact SG-NE2 2.99Å
334	K	78	Confident	84.7	Confident	115 Å²	115	84 Å²	84	50%	0.5	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-23.6	176.5	-74.7	176.2	-176.8	-170.9	0	114	E320 C321 V332	E320-K334 VanDerWaalsContact CB-NZ 3.26Å; E320-K334 WeakPolarHBondContact O-CE 3.27Å; E320-K334 IonicContact OE2-NZ 2.79Å; E320-K334 PolarHBondContact OE2-NZ 2.83Å; C321-K334 VanDerWaalsContact SG-CG 3.58Å; V332-K334 PolarHBondContact O-N 3.19Å; V332-K334 VanDerWaalsContact O-N 3.16Å
335	F	70.9	Confident	84.7	Confident	123 Å²	123	79.2 Å²	79.2	54%	0.539	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-39.4	-175.6	-60.4	-71.6	0	0	0	114	C333 M350 H354	C333-F335 PolarHBondContact O-N 2.86Å; C333-F335 PolarHBondContact SG-N 3.41Å; C333-F335 VanDerWaalsContact SG-N 3.4Å; F335-M350 HydrophobicContact CD2-CE 4.1Å; F335-M350 HydrophobicContact CD2-SD 3.57Å; F335-M350 VanDerWaalsContact CD2-SD 3.57Å; F335-M350 HydrophobicContact CE2-CE 4.2Å; F335-M350 HydrophobicContact CE2-SD 3.61Å; F335-H354 WeakPolarHBondContact CB-CE1 3.36Å; F335-H354 HydrophobicContact CD2-CB 4.2Å; F335-H354 AromaticContact CD2-CD2 3.99Å; F335-H354 AromaticContact CD2-CG 3.83Å
336	C	76.7	Confident	85	Confident	60 Å²	60	76.4 Å²	76.4	41%	0.405	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	-1.1	-178.5	69.4	0	0	0	0	114.4	C333 K338 H349	C333-C336 VanDerWaalsContact SG-SG 3.66Å; C336-K338 PolarHBondContact O-N 3.17Å; C336-H349 PolarHBondContact SG-CE1 3.11Å; C336-H349 PolarHBondContact SG-NE2 2.88Å
337	G	78.6	Confident	85.1	Confident	46 Å²	46	72.9 Å²	72.9	47%	0.474	37%	0.373	S	S	.	.			trans	71.7	1.3	-180	0	0	0	0	0	115.3	C333	C333-G337 WeakPolarHBondContact O-CA 3.43Å; C333-G337 PolarHBondContact O-N 2.78Å
338	K	82.2	Confident	85	Confident	123 Å²	123	76.6 Å²	76.6	54%	0.535	37%	0.37	S	S	.	.			trans	-65.7	138.1	179.3	-73.6	-173.6	178.3	-171.9	0	111.5	C333 C336 Y340	C333-K338 PolarHBondContact N-O 3.31Å; C336-K338 PolarHBondContact O-N 3.17Å; K338-Y340 HydrophobicContact CB-CE2 3.77Å; K338-Y340 WeakPolarHBondContact CD-OH 3.36Å
339	I	87.7	Confident	84.9	Confident	94 Å²	94	68.6 Å²	68.6	48%	0.482	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	134.9	-178.5	-49.9	180	0	0	0	108.6	I325 L330 Y331 V332	I325-I339 HydrophobicContact CD1-CD1 4.16Å; L330-I339 HydrophobicContact CB-CG2 3.87Å; L330-I339 HydrophobicContact CD1-CG2 3.7Å; L330-I339 HydrophobicContact CG-CG2 4.32Å; Y331-I339 CarbonylContact O-C 3.6Å; Y331-I339 WeakPolarHBondContact O-CA 3.43Å; V332-I339 HydrophobicContact CG1-CG1 4.32Å; V332-I339 HydrophobicContact CG2-CG1 4.08Å; V332-I339 HydrophobicContact CG2-CG2 4.3Å
340	Y	89.1	Confident	84.6	Confident	45 Å²	45	63.4 Å²	63.4	18%	0.176	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	138.9	175.4	-59.2	-83.6	0	0	0	109.5	Y331 K338 I342 M346 H349	Y331-Y340 PolarHBondContact N-O 3.31Å; Y331-Y340 PolarHBondContact O-N 2.97Å; K338-Y340 HydrophobicContact CB-CE2 3.77Å; K338-Y340 WeakPolarHBondContact CD-OH 3.36Å; Y340-I342 VanDerWaalsContact C-N 3.34Å; Y340-M346 HydrophobicContact CD2-CB 3.95Å; Y340-M346 HydrophobicContact CD2-CG 4.34Å; Y340-M346 HydrophobicContact CD2-SD 3.61Å; Y340-M346 HydrophobicContact CE2-SD 3.85Å; Y340-M346 HydrophobicContact CG-CB 4.16Å; Y340-H349 HydrophobicContact CE1-CB 4.16Å; Y340-H349 HydrophobicContact CE2-CB 3.84Å; Y340-H349 AromaticContact CE2-CD2 3.44Å; Y340-H349 VanDerWaalsContact CE2-CD2 3.44Å; Y340-H349 WeakPolarHBondContact CE2-CD2 3.47Å; Y340-H349 AromaticContact CE2-CG 3.62Å; Y340-H349 AromaticContact CZ-CD2 3.79Å; Y340-H349 AromaticContact CZ-CG 3.46Å; Y340-H349 VanDerWaalsContact CZ-CG 3.46Å; Y340-H349 AromaticContact CZ-ND1 3.92Å; Y340-H349 WeakPolarHBondContact OH-CB 3.44Å; Y340-H349 PolarHBondContact OH-CD2 3.35Å; Y340-H349 PolarHBondContact OH-CE1 3.25Å; Y340-H349 PolarHBondContact OH-ND1 3.06Å
341	E	90	Very high	83.8	Confident	144 Å²	144	68.2 Å²	68.2	67%	0.673	34%	0.338	S	S	*	.	S	Bend	trans	-78.1	-23.7	177.6	-55.8	-175.1	160.5	0	0	112.3	L330	L330-E341 HydrophobicContact CD2-CB 3.98Å; L330-E341 HydrophobicContact CD2-CG 3.74Å
342	I	88.6	Confident	82.7	Confident	100 Å²	100	69.3 Å²	69.3	51%	0.513	34%	0.344	S	S	.	.	S	Bend	trans	-123.3	136.9	-172.3	-50.1	169.6	0	0	0	110.3	Y340 S344 S345 M346	Y340-I342 VanDerWaalsContact C-N 3.34Å; I342-S344 VanDerWaalsContact C-N 3.31Å; I342-S344 VanDerWaalsContact CG2-OG 3.26Å; I342-S344 WeakPolarHBondContact CG2-OG 3.14Å; I342-S344 PolarHBondContact O-N 3.07Å; I342-S345 PolarHBondContact O-N 3.06Å; I342-M346 PolarHBondContact O-N 2.89Å
343	K	89.2	Confident	81.8	Confident	60 Å²	60	71.2 Å²	71.2	26%	0.261	35%	0.353	S	S	.	.	H	α-helix	trans	-58.3	-38.8	-179.8	-166	171.9	173.9	167.9	0	112.7	I318 D319 Y331 M346 R347	I318-K343 HydrophobicContact CG2-CG 3.71Å; D319-K343 WeakPolarHBondContact OD1-CE 3.39Å; D319-K343 IonicContact OD1-NZ 2.84Å; D319-K343 PolarHBondContact OD1-NZ 3.18Å; D319-K343 IonicContact OD2-NZ 2.59Å; D319-K343 PolarHBondContact OD2-NZ 3.43Å; D319-K343 VanDerWaalsContact OD2-NZ 3.11Å; Y331-K343 HydrophobicContact CD2-CB 4.41Å; Y331-K343 HydrophobicContact CE1-CB 4.1Å; Y331-K343 HydrophobicContact CE1-CD 4.23Å; Y331-K343 HydrophobicContact CE1-CG 3.94Å; Y331-K343 HydrophobicContact CE2-CB 3.79Å; K343-M346 PolarHBondContact O-N 2.74Å; K343-R347 WeakPolarHBondContact O-CB 3.25Å; K343-R347 PolarHBondContact O-N 3.46Å
344	S	87.8	Confident	81.2	Confident	76 Å²	76	72.4 Å²	72.4	53%	0.531	36%	0.359	S	S	.	.	H	α-helix	trans	-63.6	-41.4	178.8	60.3	0	0	0	0	112.7	I342 R347 Y348	I342-S344 VanDerWaalsContact C-N 3.31Å; I342-S344 VanDerWaalsContact CG2-OG 3.26Å; I342-S344 WeakPolarHBondContact CG2-OG 3.14Å; I342-S344 PolarHBondContact O-N 3.07Å; S344-R347 WeakPolarHBondContact O-CB 3.42Å; S344-R347 PolarHBondContact O-N 2.87Å; S344-Y348 PolarHBondContact O-N 3.3Å
345	S	86.2	Confident	80.3	Confident	51 Å²	51	68.7 Å²	68.7	36%	0.357	34%	0.344	S	S	.	.	H	α-helix	trans	-63	-42.9	175	-60.6	0	0	0	0	111.7	I342 Y348 H349	I342-S345 PolarHBondContact O-N 3.06Å; S345-Y348 PolarHBondContact O-N 2.85Å; S345-H349 WeakPolarHBondContact O-CB 3.46Å; S345-H349 PolarHBondContact O-N 3.44Å
346	M	87.1	Confident	79.1	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-64.4	-40.4	173.5	177	57.5	158.7	0	0	112	I318 C321 Y331 C333 Y340 I342 K343 H349 M350	I318-M346 HydrophobicContact CB-CG 4.48Å; I318-M346 HydrophobicContact CG1-CG 4.18Å; I318-M346 HydrophobicContact CG2-CB 4.28Å; I318-M346 HydrophobicContact CG2-CG 3.75Å; C321-M346 HydrophobicContact CB-CE 3.38Å; C321-M346 VanDerWaalsContact SG-CE 3.55Å; Y331-M346 HydrophobicContact CG-CB 4.41Å; C333-M346 HydrophobicContact CB-CE 3.77Å; C333-M346 HydrophobicContact CB-SD 3.97Å; Y340-M346 HydrophobicContact CD2-CB 3.95Å; Y340-M346 HydrophobicContact CD2-CG 4.34Å; Y340-M346 HydrophobicContact CD2-SD 3.61Å; Y340-M346 HydrophobicContact CE2-SD 3.85Å; Y340-M346 HydrophobicContact CG-CB 4.16Å; I342-M346 PolarHBondContact O-N 2.89Å; K343-M346 PolarHBondContact O-N 2.74Å; M346-H349 WeakPolarHBondContact O-CB 3.38Å; M346-H349 PolarHBondContact O-N 2.8Å; M346-M350 HydrophobicContact CE-CE 3.48Å; M346-M350 VanDerWaalsContact CE-CE 3.48Å; M346-M350 WeakPolarHBondContact O-CB 3.4Å; M346-M350 PolarHBondContact O-N 3Å; M346-M350 HydrophobicContact SD-CE 4.17Å
347	R	86.2	Confident	77.4	Confident	84 Å²	84	69.1 Å²	69.1	32%	0.317	34%	0.343	S	S	.	.	H	α-helix	trans	-61	-46.9	175	-170.2	-176.5	-73.2	-178	8	111.8	L314 N315 I318 K343 S344 M350 K351	L314-R347 HydrophobicContact CD2-CG 3.69Å; L314-R347 HydrophobicContact CG-CG 4.29Å; N315-R347 VanDerWaalsContact CG-NH2 3.28Å; N315-R347 PolarHBondContact ND2-NH2 2.96Å; N315-R347 PolarHBondContact OD1-NE 2.8Å; N315-R347 PolarHBondContact OD1-NH2 3.27Å; I318-R347 VanDerWaalsContact CD1-CA 3.47Å; I318-R347 HydrophobicContact CD1-CB 3.54Å; I318-R347 HydrophobicContact CD1-CG 3.72Å; K343-R347 WeakPolarHBondContact O-CB 3.25Å; K343-R347 PolarHBondContact O-N 3.46Å; S344-R347 WeakPolarHBondContact O-CB 3.42Å; S344-R347 PolarHBondContact O-N 2.87Å; R347-M350 PolarHBondContact O-N 3.47Å; R347-K351 VanDerWaalsContact O-CB 3.29Å; R347-K351 WeakPolarHBondContact O-CB 3.35Å; R347-K351 PolarHBondContact O-N 2.86Å
348	Y	82.1	Confident	75.3	Confident	136 Å²	136	72.2 Å²	72.2	53%	0.533	35%	0.345	S	S	.	.	H	α-helix	trans	-60.4	-47.7	175.9	179.4	-96.6	0	0	0	110.7	S344 S345 M350 K351 I352	S344-Y348 PolarHBondContact O-N 3.3Å; S345-Y348 PolarHBondContact O-N 2.85Å; Y348-M350 PolarHBondContact O-N 3.45Å; Y348-K351 PolarHBondContact O-N 3.39Å; Y348-I352 HydrophobicContact CD1-CG1 4.21Å; Y348-I352 HydrophobicContact CD2-CD1 4.43Å; Y348-I352 HydrophobicContact CD2-CG1 3.75Å; Y348-I352 HydrophobicContact CE1-CB 4.49Å; Y348-I352 HydrophobicContact CE1-CG1 4Å; Y348-I352 HydrophobicContact CE2-CD1 4.03Å; Y348-I352 HydrophobicContact CE2-CG1 3.52Å; Y348-I352 HydrophobicContact CG-CG1 4.1Å; Y348-I352 WeakPolarHBondContact O-CB 3.35Å; Y348-I352 WeakPolarHBondContact O-CG1 3.23Å; Y348-I352 PolarHBondContact O-N 3.33Å
349	H	82.3	Confident	73.2	Confident	9 Å²	9	70.3 Å²	70.3	4%	0.042	34%	0.34	C	S	.	.	H	α-helix	trans	-56.4	-49.9	175.4	166.8	65.4	0	0	0	112.2	C333 C336 Y340 S345 M346 K351 I353 H354	C333-H349 PolarHBondContact SG-NE2 3.42Å; C336-H349 PolarHBondContact SG-CE1 3.11Å; C336-H349 PolarHBondContact SG-NE2 2.88Å; Y340-H349 HydrophobicContact CE1-CB 4.16Å; Y340-H349 HydrophobicContact CE2-CB 3.84Å; Y340-H349 AromaticContact CE2-CD2 3.44Å; Y340-H349 VanDerWaalsContact CE2-CD2 3.44Å; Y340-H349 WeakPolarHBondContact CE2-CD2 3.47Å; Y340-H349 AromaticContact CE2-CG 3.62Å; Y340-H349 AromaticContact CZ-CD2 3.79Å; Y340-H349 AromaticContact CZ-CG 3.46Å; Y340-H349 VanDerWaalsContact CZ-CG 3.46Å; Y340-H349 AromaticContact CZ-ND1 3.92Å; Y340-H349 WeakPolarHBondContact OH-CB 3.44Å; Y340-H349 PolarHBondContact OH-CD2 3.35Å; Y340-H349 PolarHBondContact OH-CE1 3.25Å; Y340-H349 PolarHBondContact OH-ND1 3.06Å; S345-H349 WeakPolarHBondContact O-CB 3.46Å; S345-H349 PolarHBondContact O-N 3.44Å; M346-H349 WeakPolarHBondContact O-CB 3.38Å; M346-H349 PolarHBondContact O-N 2.8Å; H349-K351 VanDerWaalsContact C-N 3.35Å; H349-K351 PolarHBondContact O-N 3.06Å; H349-I353 WeakPolarHBondContact ND1-CG1 3.38Å; H349-I353 WeakPolarHBondContact O-CA 3.39Å; H349-I353 WeakPolarHBondContact O-CB 3.47Å; H349-I353 WeakPolarHBondContact O-CG1 3.43Å; H349-I353 PolarHBondContact O-N 3.23Å; H349-H354 AromaticContact CD2-CD2 3.97Å; H349-H354 AromaticContact CE1-CD2 3.76Å; H349-H354 AromaticContact CE1-NE2 3.27Å; H349-H354 PolarHBondContact CE1-NE2 3.19Å; H349-H354 VanDerWaalsContact CE1-NE2 3.27Å; H349-H354 AromaticContact NE2-CD2 3.36Å; H349-H354 PolarHBondContact NE2-CD2 3.16Å; H349-H354 AromaticContact NE2-NE2 3.01Å; H349-H354 PolarHBondContact NE2-NE2 3.05Å
350	M	79.5	Confident	70.5	Confident	3 Å²	3	73.4 Å²	73.4	2%	0.015	35%	0.346	C	S	.	.	I	π-helix	trans	-62.8	-42.5	-179.5	-160.9	66.8	74.6	0	0	111.1	L314 F335 M346 R347 Y348 H354 L355	L314-M350 HydrophobicContact CD1-CB 3.91Å; L314-M350 HydrophobicContact CD1-CG 3.61Å; F335-M350 HydrophobicContact CD2-CE 4.1Å; F335-M350 HydrophobicContact CD2-SD 3.57Å; F335-M350 VanDerWaalsContact CD2-SD 3.57Å; F335-M350 HydrophobicContact CE2-CE 4.2Å; F335-M350 HydrophobicContact CE2-SD 3.61Å; M346-M350 HydrophobicContact CE-CE 3.48Å; M346-M350 VanDerWaalsContact CE-CE 3.48Å; M346-M350 WeakPolarHBondContact O-CB 3.4Å; M346-M350 PolarHBondContact O-N 3Å; M346-M350 HydrophobicContact SD-CE 4.17Å; R347-M350 PolarHBondContact O-N 3.47Å; Y348-M350 PolarHBondContact O-N 3.45Å; M350-H354 CarbonylContact O-C 3.53Å; M350-H354 WeakPolarHBondContact O-CA 3.47Å; M350-H354 WeakPolarHBondContact O-CB 3.36Å; M350-H354 PolarHBondContact O-N 3.31Å; M350-H354 HydrophobicContact SD-CB 3.73Å; M350-H354 VanDerWaalsContact SD-CD2 3.59Å; M350-L355 WeakPolarHBondContact O-CB 3.35Å; M350-L355 PolarHBondContact O-N 3.3Å
351	K	75.2	Confident	68	Low	123 Å²	123	76.1 Å²	76.1	54%	0.535	37%	0.367	S	S	.	.	I	π-helix	trans	-65.8	-49.2	178.8	-171.6	176.1	-177.9	178	0	112.6	R347 Y348 H349 L355 Q356	R347-K351 VanDerWaalsContact O-CB 3.29Å; R347-K351 WeakPolarHBondContact O-CB 3.35Å; R347-K351 PolarHBondContact O-N 2.86Å; Y348-K351 PolarHBondContact O-N 3.39Å; H349-K351 VanDerWaalsContact C-N 3.35Å; H349-K351 PolarHBondContact O-N 3.06Å; K351-L355 WeakPolarHBondContact O-CB 3.37Å; K351-Q356 PolarHBondContact O-N 2.78Å; K351-Q356 VanDerWaalsContact O-N 3.1Å
352	I	68.7	Low	65.6	Low	41 Å²	41	71 Å²	71	21%	0.21	35%	0.346	C	S	.	.	I	π-helix	trans	-83.9	-36.6	-170.7	-55.7	-60.3	0	0	0	112.1	Y348 Q356 V376	Y348-I352 HydrophobicContact CD1-CG1 4.21Å; Y348-I352 HydrophobicContact CD2-CD1 4.43Å; Y348-I352 HydrophobicContact CD2-CG1 3.75Å; Y348-I352 HydrophobicContact CE1-CB 4.49Å; Y348-I352 HydrophobicContact CE1-CG1 4Å; Y348-I352 HydrophobicContact CE2-CD1 4.03Å; Y348-I352 HydrophobicContact CE2-CG1 3.52Å; Y348-I352 HydrophobicContact CG-CG1 4.1Å; Y348-I352 WeakPolarHBondContact O-CB 3.35Å; Y348-I352 WeakPolarHBondContact O-CG1 3.23Å; Y348-I352 PolarHBondContact O-N 3.33Å; I352-Q356 WeakPolarHBondContact O-CB 3.23Å; I352-V376 HydrophobicContact CG2-CB 4.01Å; I352-V376 HydrophobicContact CG2-CG2 4.33Å
353	I	68.2	Low	63.6	Low	61 Å²	61	68.8 Å²	68.8	31%	0.313	33%	0.333	S	S	.	.	I	π-helix	trans	-90.2	-59.5	-179.6	-51.6	-57.4	0	0	0	109.9	H349 M357	H349-I353 WeakPolarHBondContact ND1-CG1 3.38Å; H349-I353 WeakPolarHBondContact O-CA 3.39Å; H349-I353 WeakPolarHBondContact O-CB 3.47Å; H349-I353 WeakPolarHBondContact O-CG1 3.43Å; H349-I353 PolarHBondContact O-N 3.23Å; I353-M357 HydrophobicContact CG2-SD 4.18Å; I353-M357 WeakPolarHBondContact O-CB 3.25Å; I353-M357 WeakPolarHBondContact O-CG 3.4Å; I353-M357 PolarHBondContact O-N 3.29Å; I353-M357 VanDerWaalsContact O-SD 3.33Å
354	H	69.9	Low	61.9	Low	27 Å²	27	68.9 Å²	68.9	13%	0.125	34%	0.336	C	S	.	.	I	π-helix	trans	-88.2	-41.8	-167.6	-64.2	-58.2	0	0	0	114.5	C333 F335 H349 M350 M357 H358	C333-H354 VanDerWaalsContact SG-CD2 3.58Å; C333-H354 PolarHBondContact SG-NE2 2.99Å; F335-H354 WeakPolarHBondContact CB-CE1 3.36Å; F335-H354 HydrophobicContact CD2-CB 4.2Å; F335-H354 AromaticContact CD2-CD2 3.99Å; F335-H354 AromaticContact CD2-CG 3.83Å; H349-H354 AromaticContact CD2-CD2 3.97Å; H349-H354 AromaticContact CE1-CD2 3.76Å; H349-H354 AromaticContact CE1-NE2 3.27Å; H349-H354 PolarHBondContact CE1-NE2 3.19Å; H349-H354 VanDerWaalsContact CE1-NE2 3.27Å; H349-H354 AromaticContact NE2-CD2 3.36Å; H349-H354 PolarHBondContact NE2-CD2 3.16Å; H349-H354 AromaticContact NE2-NE2 3.01Å; H349-H354 PolarHBondContact NE2-NE2 3.05Å; M350-H354 CarbonylContact O-C 3.53Å; M350-H354 WeakPolarHBondContact O-CA 3.47Å; M350-H354 WeakPolarHBondContact O-CB 3.36Å; M350-H354 PolarHBondContact O-N 3.31Å; M350-H354 HydrophobicContact SD-CB 3.73Å; M350-H354 VanDerWaalsContact SD-CD2 3.59Å; H354-M357 PolarHBondContact O-N 3.13Å; H354-H358 PolarHBondContact O-N 3.37Å; H354-H358 VanDerWaalsContact O-N 3.14Å
355	L	60.1	Low	60.3	Low	37 Å²	37	68.7 Å²	68.7	19%	0.194	33%	0.326	C	S	.	.	I	π-helix	trans	-73.9	-39.9	-176.3	-148.6	71.5	0	0	0	111.3	L308 M350 K351 M357 H358	L308-L355 HydrophobicContact CB-CD1 3.35Å; L308-L355 HydrophobicContact CB-CD2 3.93Å; L308-L355 HydrophobicContact CB-CG 4.11Å; L308-L355 HydrophobicContact CD2-CD1 3.86Å; L308-L355 HydrophobicContact CG-CD1 4.27Å; M350-L355 WeakPolarHBondContact O-CB 3.35Å; M350-L355 PolarHBondContact O-N 3.3Å; K351-L355 WeakPolarHBondContact O-CB 3.37Å; L355-M357 VanDerWaalsContact C-N 3.32Å; L355-H358 PolarHBondContact O-N 3.08Å
356	Q	46.6	Very low	59.1	Low	97 Å²	97	66.3 Å²	66.3	45%	0.453	31%	0.31	S	S	.	.	H	α-helix	trans	-69.1	-32.6	171	-159.2	64.7	39.5	0	0	111.6	K351 I352 H358 L359 V376	K351-Q356 PolarHBondContact O-N 2.78Å; K351-Q356 VanDerWaalsContact O-N 3.1Å; I352-Q356 WeakPolarHBondContact O-CB 3.23Å; Q356-H358 VanDerWaalsContact C-N 3.34Å; Q356-H358 PolarHBondContact O-N 2.8Å; Q356-L359 PolarHBondContact O-N 3.48Å; Q356-V376 HydrophobicContact CG-CG2 4.37Å
357	M	40.3	Very low	57.7	Low	95 Å²	95	75.4 Å²	75.4	47%	0.468	34%	0.344	S	S	.	.	H	α-helix	trans	-63.3	-36.1	175.9	-89	178.9	73.8	0	0	112.9	I353 H354 L355 L359 T361	I353-M357 HydrophobicContact CG2-SD 4.18Å; I353-M357 WeakPolarHBondContact O-CB 3.25Å; I353-M357 WeakPolarHBondContact O-CG 3.4Å; I353-M357 PolarHBondContact O-N 3.29Å; I353-M357 VanDerWaalsContact O-SD 3.33Å; H354-M357 PolarHBondContact O-N 3.13Å; L355-M357 VanDerWaalsContact C-N 3.32Å; M357-L359 VanDerWaalsContact C-N 3.3Å; M357-L359 PolarHBondContact O-N 2.78Å; M357-T361 HydrophobicContact CE-CG2 4.47Å; M357-T361 WeakPolarHBondContact O-CG2 3.02Å; M357-T361 PolarHBondContact O-N 2.85Å
358	H	35.2	Very low	56.7	Low	111 Å²	111	74.5 Å²	74.5	51%	0.514	35%	0.345	S	S	.	.	H	α-helix	trans	-73.2	-20.9	177.3	-94.8	-60	0	0	0	114.1	H354 L355 Q356	H354-H358 PolarHBondContact O-N 3.37Å; H354-H358 VanDerWaalsContact O-N 3.14Å; L355-H358 PolarHBondContact O-N 3.08Å; Q356-H358 VanDerWaalsContact C-N 3.34Å; Q356-H358 PolarHBondContact O-N 2.8Å
359	L	37.2	Very low	56.1	Low	83 Å²	83	71.3 Å²	71.3	44%	0.435	34%	0.341	S	S	.	.	H	α-helix	trans	-81	-16.1	-179.3	-142.3	80	0	0	0	114	R307 Q356 M357	R307-L359 HydrophobicContact CG-CD1 3.68Å; Q356-L359 PolarHBondContact O-N 3.48Å; M357-L359 VanDerWaalsContact C-N 3.3Å; M357-L359 PolarHBondContact O-N 2.78Å
360	R	31.4	Very low	55.2	Low	158 Å²	158	72.6 Å²	72.6	60%	0.596	36%	0.358	S	S	*	.			trans	170.5	100.7	166.7	-92.5	139.7	89.3	104.3	10.2	108.1	T362 E363	R360-T362 PolarHBondContact O-N 3.1Å; R360-E363 HydrophobicContact CB-CG 4.49Å; R360-E363 IonicContact CZ-OE1 2.8Å; R360-E363 IonicContact NE-OE1 2.57Å; R360-E363 PolarHBondContact NE-OE1 3.43Å; R360-E363 IonicContact NH2-OE1 3.11Å; R360-E363 PolarHBondContact NH2-OE1 2.91Å; R360-E363 PolarHBondContact O-N 3.16Å
361	T	35.2	Very low	54.5	Low	103 Å²	103	78.5 Å²	78.5	63%	0.632	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	14	167.9	47.2	0	0	0	0	114.5	M357	M357-T361 HydrophobicContact CE-CG2 4.47Å; M357-T361 WeakPolarHBondContact O-CG2 3.02Å; M357-T361 PolarHBondContact O-N 2.85Å
362	T	41.5	Very low	54.3	Low	35 Å²	35	80.1 Å²	80.1	22%	0.215	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.5	8.8	-178.8	56.5	0	0	0	0	113.7	N46 R360	N46-T362 HydrophobicContact CB-CG2 3.93Å; N46-T362 VanDerWaalsContact CG-CG2 3.41Å; N46-T362 WeakPolarHBondContact OD1-CB 3.32Å; N46-T362 WeakPolarHBondContact OD1-CG2 3.45Å; R360-T362 PolarHBondContact O-N 3.1Å
363	E	45	Very low	53.9	Low	55 Å²	55	80.3 Å²	80.3	26%	0.257	39%	0.392	S	S	.	.			trans	-117.9	27.2	-179.2	-73.3	-170	-153.7	0	0	116.2	R360 Q365 R367	R360-E363 HydrophobicContact CB-CG 4.49Å; R360-E363 IonicContact CZ-OE1 2.8Å; R360-E363 IonicContact NE-OE1 2.57Å; R360-E363 PolarHBondContact NE-OE1 3.43Å; R360-E363 IonicContact NH2-OE1 3.11Å; R360-E363 PolarHBondContact NH2-OE1 2.91Å; R360-E363 PolarHBondContact O-N 3.16Å; E363-Q365 PolarHBondContact O-N 2.88Å; E363-R367 IonicContact OE2-CZ 3.65Å; E363-R367 IonicContact OE2-NE 3.36Å; E363-R367 PolarHBondContact OE2-NE 2.95Å; E363-R367 IonicContact OE2-NH2 3.03Å; E363-R367 PolarHBondContact OE2-NH2 3.33Å
364	M	54.7	Low	53.2	Low	62 Å²	62	82.7 Å²	82.7	31%	0.305	41%	0.409	S	S	.	.	S	Bend	trans	-75.3	33	160.4	-63.2	-88.1	-73.2	0	0	111.2	Q372 F373 T374 V376	M364-Q372 CarbonylContact O-C 3.6Å; M364-Q372 WeakPolarHBondContact O-CA 3.46Å; M364-F373 WeakPolarHBondContact CB-O 3.43Å; M364-F373 VanDerWaalsContact CE-O 3.3Å; M364-F373 WeakPolarHBondContact CE-O 3.33Å; M364-F373 PolarHBondContact O-N 3.41Å; M364-T374 WeakPolarHBondContact CE-O 3.14Å; M364-V376 HydrophobicContact SD-CG2 3.55Å; M364-V376 VanDerWaalsContact SD-CG2 3.55Å
365	Q	52.7	Low	52.5	Low	72 Å²	72	83 Å²	83	34%	0.336	41%	0.414	S	S	.	.	B	Isolated β-bridge	trans	-122.8	144.7	-178.1	70.8	-179.2	-0	0	0	110.2	E363 R367 K371 Q372	E363-Q365 PolarHBondContact O-N 2.88Å; Q365-R367 PolarHBondContact O-N 3.23Å; Q365-K371 CarbonylContact C-O 3.56Å; Q365-K371 WeakPolarHBondContact CA-O 3.15Å; Q365-Q372 HydrophobicContact CB-CG 4.21Å
366	C	61	Low	52.6	Low	1 Å²	1	82.7 Å²	82.7	1%	0.007	41%	0.414	C	S	.	.			trans	-58.5	122.1	169.8	-175.1	0	0	0	0	110.2	I368 C369 G370 K371 F373 H382 Q383	C366-I368 PolarHBondContact O-N 3.47Å; C366-I368 VanDerWaalsContact O-N 3.09Å; C366-I368 PolarHBondContact SG-N 3.45Å; C366-C369 WeakPolarHBondContact CB-SG 3.32Å; C366-C369 PolarHBondContact SG-N 3.46Å; C366-C369 VanDerWaalsContact SG-N 3.43Å; C366-C369 VanDerWaalsContact SG-SG 3.69Å; C366-G370 WeakPolarHBondContact O-CA 3.41Å; C366-G370 PolarHBondContact O-N 3.4Å; C366-K371 PolarHBondContact N-O 2.73Å; C366-F373 HydrophobicContact CB-CE2 4.24Å; C366-H382 WeakPolarHBondContact CB-CD2 3.35Å; C366-H382 PolarHBondContact SG-CD2 3.31Å; C366-H382 PolarHBondContact SG-NE2 3.4Å; C366-H382 VanDerWaalsContact SG-NE2 3.38Å; C366-Q383 HydrophobicContact CB-CG 4.33Å; C366-Q383 VanDerWaalsContact SG-CG 3.52Å
367	R	57.8	Low	53.3	Low	190 Å²	190	81 Å²	81	72%	0.717	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-13.5	172.2	-64.8	178.4	178.1	173	-1	114.7	E363 Q365 Q383	E363-R367 IonicContact OE2-CZ 3.65Å; E363-R367 IonicContact OE2-NE 3.36Å; E363-R367 PolarHBondContact OE2-NE 2.95Å; E363-R367 IonicContact OE2-NH2 3.03Å; E363-R367 PolarHBondContact OE2-NH2 3.33Å; Q365-R367 PolarHBondContact O-N 3.23Å; R367-Q383 VanDerWaalsContact CB-NE2 3.31Å
368	I	66.2	Low	54.6	Low	65 Å²	65	77.3 Å²	77.3	33%	0.333	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-50.7	-177.4	-57.7	147.7	0	0	0	110.9	C366 Q383 C386 I387 T390	C366-I368 PolarHBondContact O-N 3.47Å; C366-I368 VanDerWaalsContact O-N 3.09Å; C366-I368 PolarHBondContact SG-N 3.45Å; I368-Q383 HydrophobicContact CD1-CB 4.14Å; I368-Q383 HydrophobicContact CD1-CG 4.23Å; I368-Q383 VanDerWaalsContact CD1-O 3.28Å; I368-Q383 WeakPolarHBondContact CD1-O 3.12Å; I368-C386 HydrophobicContact CB-CB 4.33Å; I368-C386 HydrophobicContact CD1-CB 4.05Å; I368-C386 HydrophobicContact CG2-CB 4.42Å; I368-I387 HydrophobicContact CD1-CB 4.36Å; I368-I387 HydrophobicContact CD1-CD1 3.69Å; I368-I387 HydrophobicContact CD1-CG1 3.56Å; I368-I387 HydrophobicContact CG1-CG1 4.33Å; I368-T390 HydrophobicContact CG2-CG2 4.46Å; I368-T390 VanDerWaalsContact CG2-OG1 3.27Å; I368-T390 WeakPolarHBondContact CG2-OG1 3.4Å
369	C	70.3	Confident	56	Low	69 Å²	69	72.3 Å²	72.3	47%	0.466	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-2.4	-177.6	72.6	0	0	0	0	115	C366 K371 H382 C386	C366-C369 WeakPolarHBondContact CB-SG 3.32Å; C366-C369 PolarHBondContact SG-N 3.46Å; C366-C369 VanDerWaalsContact SG-N 3.43Å; C366-C369 VanDerWaalsContact SG-SG 3.69Å; C369-K371 PolarHBondContact O-N 3.27Å; C369-K371 WeakPolarHBondContact SG-CB 3.48Å; C369-K371 PolarHBondContact SG-N 3.06Å; C369-K371 VanDerWaalsContact SG-N 3.41Å; C369-H382 PolarHBondContact SG-NE2 3.41Å; C369-C386 WeakPolarHBondContact CB-SG 3.4Å; C369-C386 VanDerWaalsContact SG-SG 3.65Å
370	G	62.7	Low	57.3	Low	37 Å²	37	72.8 Å²	72.8	38%	0.381	38%	0.377	S	S	.	.			trans	72.2	2.6	-178.1	0	0	0	0	0	115.4	C366 Q372	C366-G370 WeakPolarHBondContact O-CA 3.41Å; C366-G370 PolarHBondContact O-N 3.4Å; G370-Q372 PolarHBondContact O-N 3.11Å
371	K	64.5	Low	59.2	Low	126 Å²	126	73.8 Å²	73.8	55%	0.548	38%	0.381	S	S	.	.			trans	-62.7	128.4	-179.5	-172.3	168.7	-174.4	176.7	0	111	Q365 C366 C369 F373	Q365-K371 CarbonylContact C-O 3.56Å; Q365-K371 WeakPolarHBondContact CA-O 3.15Å; C366-K371 PolarHBondContact N-O 2.73Å; C369-K371 PolarHBondContact O-N 3.27Å; C369-K371 WeakPolarHBondContact SG-CB 3.48Å; C369-K371 PolarHBondContact SG-N 3.06Å; C369-K371 VanDerWaalsContact SG-N 3.41Å; K371-F373 HydrophobicContact CB-CE2 3.94Å; K371-F373 HydrophobicContact CB-CZ 4.13Å; K371-F373 HydrophobicContact CD-CZ 3.92Å; K371-F373 HydrophobicContact CG-CE2 4.04Å; K371-F373 HydrophobicContact CG-CZ 3.87Å; K371-F373 WeakPolarHBondContact O-CD2 3.26Å; K371-F373 WeakPolarHBondContact O-CE2 3.44Å
372	Q	70.8	Confident	61.2	Low	157 Å²	157	70.9 Å²	70.9	73%	0.734	36%	0.361	S	S	*	.	B	Isolated β-bridge	trans	-82.5	147.4	178.3	-67.4	-177.6	-3.3	0	0	112.2	M364 Q365 G370	M364-Q372 CarbonylContact O-C 3.6Å; M364-Q372 WeakPolarHBondContact O-CA 3.46Å; Q365-Q372 HydrophobicContact CB-CG 4.21Å; G370-Q372 PolarHBondContact O-N 3.11Å
373	F	60.2	Low	62.4	Low	46 Å²	46	71.1 Å²	71.1	20%	0.202	36%	0.359	C	S	.	.			trans	-135.8	159.5	-177.4	-65.1	-84.8	0	0	0	110.9	M364 C366 K371 A378 V379 H382	M364-F373 WeakPolarHBondContact CB-O 3.43Å; M364-F373 VanDerWaalsContact CE-O 3.3Å; M364-F373 WeakPolarHBondContact CE-O 3.33Å; M364-F373 PolarHBondContact O-N 3.41Å; C366-F373 HydrophobicContact CB-CE2 4.24Å; K371-F373 HydrophobicContact CB-CE2 3.94Å; K371-F373 HydrophobicContact CB-CZ 4.13Å; K371-F373 HydrophobicContact CD-CZ 3.92Å; K371-F373 HydrophobicContact CG-CE2 4.04Å; K371-F373 HydrophobicContact CG-CZ 3.87Å; K371-F373 WeakPolarHBondContact O-CD2 3.26Å; K371-F373 WeakPolarHBondContact O-CE2 3.44Å; F373-A378 HydrophobicContact CB-CB 4.08Å; F373-A378 HydrophobicContact CD1-CB 3.69Å; F373-A378 HydrophobicContact CG-CB 4.13Å; F373-V379 HydrophobicContact CB-CG2 3.69Å; F373-V379 HydrophobicContact CD2-CB 4.21Å; F373-V379 HydrophobicContact CD2-CG2 3.68Å; F373-V379 HydrophobicContact CG-CG2 3.96Å; F373-H382 HydrophobicContact CE1-CB 3.83Å; F373-H382 HydrophobicContact CE2-CB 3.84Å; F373-H382 AromaticContact CE2-CD2 3.59Å; F373-H382 AromaticContact CE2-CG 3.73Å; F373-H382 HydrophobicContact CZ-CB 3.28Å; F373-H382 AromaticContact CZ-CD2 3.51Å; F373-H382 AromaticContact CZ-CG 3.18Å; F373-H382 AromaticContact CZ-ND1 3.75Å
374	T	52.8	Low	63.5	Low	110 Å²	110	72 Å²	72	68%	0.675	37%	0.372	S	S	*	.	S	Bend	trans	-89.6	-11.9	179.7	54	0	0	0	0	113.9	M364	M364-T374 WeakPolarHBondContact CE-O 3.14Å
375	C	56	Low	64.3	Low	35 Å²	35	76 Å²	76	24%	0.236	39%	0.387	C	S	.	.	S	Bend	trans	-146.6	151.2	171.7	59.9	0	0	0	0	112.1	S377 A378 V379	C375-S377 VanDerWaalsContact C-N 3.27Å; C375-S377 PolarHBondContact O-N 3.39Å; C375-S377 PolarHBondContact SG-OG 3.39Å; C375-A378 WeakPolarHBondContact O-CB 3.02Å; C375-A378 PolarHBondContact O-N 3.01Å; C375-A378 VanDerWaalsContact O-N 3.13Å; C375-A378 VanDerWaalsContact SG-CB 3.57Å; C375-V379 PolarHBondContact O-N 2.84Å
376	V	62	Low	65.4	Low	29 Å²	29	72.8 Å²	72.8	18%	0.176	37%	0.373	C	S	.	.	H	α-helix	trans	-61.5	-33.5	178.5	179.4	0	0	0	0	112	I352 Q356 M364 A378 V379 N380	I352-V376 HydrophobicContact CG2-CB 4.01Å; I352-V376 HydrophobicContact CG2-CG2 4.33Å; Q356-V376 HydrophobicContact CG-CG2 4.37Å; M364-V376 HydrophobicContact SD-CG2 3.55Å; M364-V376 VanDerWaalsContact SD-CG2 3.55Å; V376-A378 VanDerWaalsContact C-N 3.27Å; V376-A378 PolarHBondContact O-N 3.36Å; V376-V379 WeakPolarHBondContact O-CA 3.48Å; V376-V379 WeakPolarHBondContact O-CB 3.49Å; V376-V379 PolarHBondContact O-N 2.82Å; V376-V379 VanDerWaalsContact O-N 3.08Å; V376-N380 PolarHBondContact O-N 3.01Å
377	S	62.2	Low	65.7	Low	62 Å²	62	77.2 Å²	77.2	43%	0.434	40%	0.395	S	S	.	.	H	α-helix	trans	-60.7	-38	175.8	54.9	0	0	0	0	112.1	C375 N380 R381	C375-S377 VanDerWaalsContact C-N 3.27Å; C375-S377 PolarHBondContact O-N 3.39Å; C375-S377 PolarHBondContact SG-OG 3.39Å; S377-N380 PolarHBondContact O-N 3.27Å; S377-R381 WeakPolarHBondContact O-CB 3.22Å; S377-R381 PolarHBondContact O-N 3.36Å
378	A	67.8	Low	65.7	Low	18 Å²	18	74 Å²	74	15%	0.149	39%	0.392	C	S	.	.	H	α-helix	trans	-68.3	-37.2	173.6	0	0	0	0	0	112.1	F373 C375 V376 H382	F373-A378 HydrophobicContact CB-CB 4.08Å; F373-A378 HydrophobicContact CD1-CB 3.69Å; F373-A378 HydrophobicContact CG-CB 4.13Å; C375-A378 WeakPolarHBondContact O-CB 3.02Å; C375-A378 PolarHBondContact O-N 3.01Å; C375-A378 VanDerWaalsContact O-N 3.13Å; C375-A378 VanDerWaalsContact SG-CB 3.57Å; V376-A378 VanDerWaalsContact C-N 3.27Å; V376-A378 PolarHBondContact O-N 3.36Å; A378-H382 VanDerWaalsContact O-CB 3.23Å; A378-H382 WeakPolarHBondContact O-CB 3.18Å; A378-H382 PolarHBondContact O-N 3.15Å
379	V	64.5	Low	65.1	Low	5 Å²	5	73.7 Å²	73.7	3%	0.03	40%	0.395	C	S	.	.	H	α-helix	trans	-59.3	-49.7	172.2	-176.1	0	0	0	0	110.7	F373 C375 V376 H382 Q383	F373-V379 HydrophobicContact CB-CG2 3.69Å; F373-V379 HydrophobicContact CD2-CB 4.21Å; F373-V379 HydrophobicContact CD2-CG2 3.68Å; F373-V379 HydrophobicContact CG-CG2 3.96Å; C375-V379 PolarHBondContact O-N 2.84Å; V376-V379 WeakPolarHBondContact O-CA 3.48Å; V376-V379 WeakPolarHBondContact O-CB 3.49Å; V376-V379 PolarHBondContact O-N 2.82Å; V376-V379 VanDerWaalsContact O-N 3.08Å; V379-H382 CarbonylContact O-C 3.56Å; V379-H382 PolarHBondContact O-N 3.24Å; V379-Q383 HydrophobicContact CG1-CG 4.19Å; V379-Q383 WeakPolarHBondContact O-CB 3.31Å; V379-Q383 WeakPolarHBondContact O-CG 3.43Å; V379-Q383 PolarHBondContact O-N 3.08Å
380	N	63.6	Low	64.2	Low	93 Å²	93	73.7 Å²	73.7	50%	0.497	39%	0.393	S	S	.	.	H	α-helix	trans	-63.9	-45	-177.5	-70.7	-10.8	0	0	0	112.2	V376 S377 H382 Q383 S384	V376-N380 PolarHBondContact O-N 3.01Å; S377-N380 PolarHBondContact O-N 3.27Å; N380-H382 PolarHBondContact O-N 3.26Å; N380-Q383 PolarHBondContact O-N 3.26Å; N380-S384 PolarHBondContact O-N 3.04Å; N380-S384 VanDerWaalsContact O-N 3.13Å; N380-S384 PolarHBondContact O-OG 2.66Å
381	R	71.6	Confident	63.6	Low	180 Å²	180	76.7 Å²	76.7	68%	0.679	40%	0.4	S	S	*	.	H	α-helix	trans	-63.3	-34.2	175.5	-173.7	177	69.7	164.8	-0.6	111.9	S377 S384	S377-R381 WeakPolarHBondContact O-CB 3.22Å; S377-R381 PolarHBondContact O-N 3.36Å; R381-S384 PolarHBondContact O-OG 3.35Å
382	H	77.3	Confident	62.9	Low	42 Å²	42	73.7 Å²	73.7	19%	0.194	39%	0.394	C	S	.	.	H	α-helix	trans	-76.3	-44.5	176.2	171.2	79.1	0	0	0	111.7	C366 C369 F373 A378 V379 N380 S384 K385 C386	C366-H382 WeakPolarHBondContact CB-CD2 3.35Å; C366-H382 PolarHBondContact SG-CD2 3.31Å; C366-H382 PolarHBondContact SG-NE2 3.4Å; C366-H382 VanDerWaalsContact SG-NE2 3.38Å; C369-H382 PolarHBondContact SG-NE2 3.41Å; F373-H382 HydrophobicContact CE1-CB 3.83Å; F373-H382 HydrophobicContact CE2-CB 3.84Å; F373-H382 AromaticContact CE2-CD2 3.59Å; F373-H382 AromaticContact CE2-CG 3.73Å; F373-H382 HydrophobicContact CZ-CB 3.28Å; F373-H382 AromaticContact CZ-CD2 3.51Å; F373-H382 AromaticContact CZ-CG 3.18Å; F373-H382 AromaticContact CZ-ND1 3.75Å; A378-H382 VanDerWaalsContact O-CB 3.23Å; A378-H382 WeakPolarHBondContact O-CB 3.18Å; A378-H382 PolarHBondContact O-N 3.15Å; V379-H382 CarbonylContact O-C 3.56Å; V379-H382 PolarHBondContact O-N 3.24Å; N380-H382 PolarHBondContact O-N 3.26Å; H382-S384 VanDerWaalsContact C-N 3.28Å; H382-S384 PolarHBondContact O-N 3.47Å; H382-K385 CarbonylContact O-C 3.59Å; H382-K385 PolarHBondContact O-N 3.4Å; H382-C386 WeakPolarHBondContact NE2-CB 3.32Å; H382-C386 PolarHBondContact NE2-SG 3.1Å; H382-C386 VanDerWaalsContact NE2-SG 3.41Å; H382-C386 WeakPolarHBondContact O-CB 3.35Å; H382-C386 PolarHBondContact O-N 2.95Å
383	Q	67.6	Low	61.4	Low	40 Å²	40	71.7 Å²	71.7	19%	0.187	39%	0.389	C	S	.	.	H	α-helix	trans	-56.4	-41.9	179.1	-82.8	178.4	-37.9	0	0	112.5	C366 R367 I368 V379 N380 K385 C386 I387	C366-Q383 HydrophobicContact CB-CG 4.33Å; C366-Q383 VanDerWaalsContact SG-CG 3.52Å; R367-Q383 VanDerWaalsContact CB-NE2 3.31Å; I368-Q383 HydrophobicContact CD1-CB 4.14Å; I368-Q383 HydrophobicContact CD1-CG 4.23Å; I368-Q383 VanDerWaalsContact CD1-O 3.28Å; I368-Q383 WeakPolarHBondContact CD1-O 3.12Å; V379-Q383 HydrophobicContact CG1-CG 4.19Å; V379-Q383 WeakPolarHBondContact O-CB 3.31Å; V379-Q383 WeakPolarHBondContact O-CG 3.43Å; V379-Q383 PolarHBondContact O-N 3.08Å; N380-Q383 PolarHBondContact O-N 3.26Å; Q383-K385 VanDerWaalsContact C-N 3.31Å; Q383-K385 PolarHBondContact O-N 3.46Å; Q383-C386 PolarHBondContact O-N 3.28Å; Q383-I387 PolarHBondContact O-N 3.1Å
384	S	66.8	Low	60.4	Low	74 Å²	74	72.8 Å²	72.8	52%	0.517	40%	0.402	S	S	.	.	H	α-helix	trans	-59.9	-38	174.8	45.5	0	0	0	0	113	N380 R381 H382	N380-S384 PolarHBondContact O-N 3.04Å; N380-S384 VanDerWaalsContact O-N 3.13Å; N380-S384 PolarHBondContact O-OG 2.66Å; R381-S384 PolarHBondContact O-OG 3.35Å; H382-S384 VanDerWaalsContact C-N 3.28Å; H382-S384 PolarHBondContact O-N 3.47Å
385	K	72.8	Confident	59.8	Low	145 Å²	145	72.1 Å²	72.1	63%	0.63	40%	0.398	S	S	*	.	H	α-helix	trans	-80.9	-32.2	174.5	-67.7	-172	178.4	-169.9	0	113.6	H382 Q383 I387 L388	H382-K385 CarbonylContact O-C 3.59Å; H382-K385 PolarHBondContact O-N 3.4Å; Q383-K385 VanDerWaalsContact C-N 3.31Å; Q383-K385 PolarHBondContact O-N 3.46Å; K385-I387 VanDerWaalsContact C-N 3.33Å; K385-I387 PolarHBondContact O-N 3.11Å; K385-L388 WeakPolarHBondContact O-CB 3.47Å; K385-L388 PolarHBondContact O-N 3.35Å; K385-L388 VanDerWaalsContact O-N 3.12Å
386	C	74.4	Confident	58.9	Low	5 Å²	5	79.3 Å²	79.3	3%	0.034	43%	0.425	C	S	.	.	H	α-helix	trans	-67.1	-35.4	-172.6	-168.6	0	0	0	0	111.7	I368 C369 H382 Q383 L388 S389 T390	I368-C386 HydrophobicContact CB-CB 4.33Å; I368-C386 HydrophobicContact CD1-CB 4.05Å; I368-C386 HydrophobicContact CG2-CB 4.42Å; C369-C386 WeakPolarHBondContact CB-SG 3.4Å; C369-C386 VanDerWaalsContact SG-SG 3.65Å; H382-C386 WeakPolarHBondContact NE2-CB 3.32Å; H382-C386 PolarHBondContact NE2-SG 3.1Å; H382-C386 VanDerWaalsContact NE2-SG 3.41Å; H382-C386 WeakPolarHBondContact O-CB 3.35Å; H382-C386 PolarHBondContact O-N 2.95Å; Q383-C386 PolarHBondContact O-N 3.28Å; C386-L388 PolarHBondContact O-N 3.4Å; C386-S389 PolarHBondContact O-N 2.82Å; C386-S389 VanDerWaalsContact O-N 3.16Å; C386-S389 PolarHBondContact O-OG 3.21Å; C386-T390 PolarHBondContact O-N 3.34Å; C386-T390 PolarHBondContact O-OG1 2.9Å
387	I	67.6	Low	57.6	Low	94 Å²	94	86.5 Å²	86.5	48%	0.482	46%	0.455	S	S	.	.	H	α-helix	trans	-52.8	-37.2	172.1	-94.8	145.8	0	0	0	112	I368 Q383 K385 I391	I368-I387 HydrophobicContact CD1-CB 4.36Å; I368-I387 HydrophobicContact CD1-CD1 3.69Å; I368-I387 HydrophobicContact CD1-CG1 3.56Å; I368-I387 HydrophobicContact CG1-CG1 4.33Å; Q383-I387 PolarHBondContact O-N 3.1Å; K385-I387 VanDerWaalsContact C-N 3.33Å; K385-I387 PolarHBondContact O-N 3.11Å; I387-I391 HydrophobicContact CG2-CD1 4.26Å; I387-I391 WeakPolarHBondContact O-CD1 3.48Å; I387-I391 WeakPolarHBondContact O-CG1 3.45Å; I387-I391 PolarHBondContact O-N 3.45Å
388	L	57.2	Low	56	Low	123 Å²	123	90 Å²	90	64%	0.644	47%	0.468	S	S	*	.	H	α-helix	trans	-71.9	-39.4	-179.2	-69.8	158.5	0	0	0	112.3	K385 C386 I391 S392	K385-L388 WeakPolarHBondContact O-CB 3.47Å; K385-L388 PolarHBondContact O-N 3.35Å; K385-L388 VanDerWaalsContact O-N 3.12Å; C386-L388 PolarHBondContact O-N 3.4Å; L388-I391 PolarHBondContact O-N 3.31Å; L388-S392 PolarHBondContact O-N 3.26Å
389	S	53.5	Low	54.2	Low	58 Å²	58	97.2 Å²	97.2	41%	0.406	50%	0.498	S	S	.	.	H	α-helix	trans	-68.8	-32.5	178.5	47.9	0	0	0	0	113.1	C386 I391 S392 D393	C386-S389 PolarHBondContact O-N 2.82Å; C386-S389 VanDerWaalsContact O-N 3.16Å; C386-S389 PolarHBondContact O-OG 3.21Å; S389-I391 VanDerWaalsContact C-N 3.34Å; S389-S392 PolarHBondContact O-N 2.84Å; S389-S392 PolarHBondContact O-OG 2.96Å; S389-D393 PolarHBondContact O-N 2.91Å
390	T	51.3	Low	52.3	Low	69 Å²	69	103.5 Å²	103.5	42%	0.423	54%	0.537	S	S	.	.	H	α-helix	trans	-71.6	-32.1	177.5	-15.5	0	0	0	0	111.9	I368 C386 S394	I368-T390 HydrophobicContact CG2-CG2 4.46Å; I368-T390 VanDerWaalsContact CG2-OG1 3.27Å; I368-T390 WeakPolarHBondContact CG2-OG1 3.4Å; C386-T390 PolarHBondContact O-N 3.34Å; C386-T390 PolarHBondContact O-OG1 2.9Å; T390-S394 PolarHBondContact O-N 3.47Å; T390-S394 VanDerWaalsContact O-N 3.14Å
391	I	50	Low	50.6	Low	100 Å²	100	106.6 Å²	106.6	51%	0.513	55%	0.552	S	S	.	*	H	α-helix	trans	-67.8	-42.6	176.4	-65.4	166.7	0	0	0	110	I387 L388 S389 D393 S394 T395	I387-I391 HydrophobicContact CG2-CD1 4.26Å; I387-I391 WeakPolarHBondContact O-CD1 3.48Å; I387-I391 WeakPolarHBondContact O-CG1 3.45Å; I387-I391 PolarHBondContact O-N 3.45Å; L388-I391 PolarHBondContact O-N 3.31Å; S389-I391 VanDerWaalsContact C-N 3.34Å; I391-D393 VanDerWaalsContact C-N 3.35Å; I391-D393 PolarHBondContact O-N 2.91Å; I391-S394 PolarHBondContact O-N 3.35Å; I391-S394 PolarHBondContact O-OG 2.87Å; I391-T395 PolarHBondContact O-N 3.29Å
392	S	51.1	Low	48.3	Very low	63 Å²	63	103.5 Å²	103.5	44%	0.441	56%	0.558	S	S	.	*	H	α-helix	trans	-61.7	-41.5	176.8	55.1	0	0	0	0	112.5	L388 S389 S394 T395	L388-S392 PolarHBondContact O-N 3.26Å; S389-S392 PolarHBondContact O-N 2.84Å; S389-S392 PolarHBondContact O-OG 2.96Å; S392-S394 VanDerWaalsContact C-N 3.34Å; S392-S394 PolarHBondContact O-N 3.26Å; S392-T395 PolarHBondContact O-N 3.38Å; S392-T395 PolarHBondContact O-OG1 3.45Å
393	D	38.3	Very low	46	Very low	115 Å²	115	105.8 Å²	105.8	62%	0.615	58%	0.579	S	S	*	*	H	α-helix	trans	-69.5	-30.4	179.8	-74.7	-11.7	0	0	0	113	S389 I391 T395 F396	S389-D393 PolarHBondContact O-N 2.91Å; I391-D393 VanDerWaalsContact C-N 3.35Å; I391-D393 PolarHBondContact O-N 2.91Å; D393-T395 VanDerWaalsContact C-N 3.31Å; D393-T395 PolarHBondContact O-N 3.38Å; D393-F396 PolarHBondContact O-N 2.93Å
394	S	39.1	Very low	43.9	Very low	68 Å²	68	111.4 Å²	111.4	48%	0.476	61%	0.61	S	S	.	*	H	α-helix	trans	-68.4	-29.7	177.5	75.1	0	0	0	0	112.9	T390 I391 S392 F396	T390-S394 PolarHBondContact O-N 3.47Å; T390-S394 VanDerWaalsContact O-N 3.14Å; I391-S394 PolarHBondContact O-N 3.35Å; I391-S394 PolarHBondContact O-OG 2.87Å; S392-S394 VanDerWaalsContact C-N 3.34Å; S392-S394 PolarHBondContact O-N 3.26Å; S394-F396 VanDerWaalsContact C-N 3.35Å
395	T	41.1	Very low	42.2	Very low	97 Å²	97	116.7 Å²	116.7	60%	0.595	63%	0.626	S	S	*	*	H	α-helix	trans	-76.3	-21.1	176.4	58.5	0	0	0	0	113.4	I391 S392 D393	I391-T395 PolarHBondContact O-N 3.29Å; S392-T395 PolarHBondContact O-N 3.38Å; S392-T395 PolarHBondContact O-OG1 3.45Å; D393-T395 VanDerWaalsContact C-N 3.31Å; D393-T395 PolarHBondContact O-N 3.38Å
396	F	37.2	Very low	39.9	Very low	185 Å²	185	114.6 Å²	114.6	81%	0.811	63%	0.63	S	S	*	*	H	α-helix	trans	-84.7	-16.5	-177.8	-147.7	-95.8	0	0	0	113.7	D393 S394	D393-F396 PolarHBondContact O-N 2.93Å; S394-F396 VanDerWaalsContact C-N 3.35Å
397	K	34.5	Very low	37.6	Very low	181 Å²	181	122.4 Å²	122.4	79%	0.787	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	-2.3	-177.2	-81.8	-175.2	177.2	177.4	0	115.9
398	N	28.4	Very low	35.5	Very low	135 Å²	135	126.8 Å²	126.8	72%	0.722	69%	0.686	S	S	*	*	S	Bend	trans	-93.8	14.6	-174.6	-74.3	-16.1	0	0	0	115.7
399	H	31.3	Very low	34	Very low	169 Å²	169	128.8 Å²	128.8	78%	0.782	70%	0.696	S	S	*	*	S	Bend	trans	-128.1	75.8	174.8	-73.1	-67.7	0	0	0	112.6
400	T	24	Very low	32.5	Very low	138 Å²	138	131.1 Å²	131.1	85%	0.847	71%	0.713	S	S	*	*			trans	-171.9	72.7	149.5	21.9	0	0	0	0	109.9
401	I	27.7	Very low	31.4	Very low	158 Å²	158	133.3 Å²	133.3	81%	0.81	73%	0.728	S	S	*	*			trans	-125.3	89.5	155.2	-57.3	179.1	0	0	0	106.2	S403	I401-S403 PolarHBondContact O-N 3.45Å
402	S	22.9	Very low	30.1	Very low	115 Å²	115	136.1 Å²	136.1	80%	0.804	74%	0.742	S	S	*	*			trans	-74.4	97.9	163.9	168	0	0	0	0	107.4
403	S	30.1	Very low	28.8	Very low	89 Å²	89	140.8 Å²	140.8	62%	0.622	76%	0.759	S	S	*	*			trans	-137.2	103	162.8	60	0	0	0	0	109.3	I401 Q405	I401-S403 PolarHBondContact O-N 3.45Å; S403-Q405 PolarHBondContact O-N 2.63Å
404	N	23.6	Very low	28.3	Very low	158 Å²	158	141.6 Å²	141.6	85%	0.845	77%	0.769	S	S	*	*			trans	-50.5	104.3	170	-64.1	-47.3	0	0	0	110.8
405	Q	31.1	Very low	27.6	Very low	185 Å²	185	145 Å²	145	86%	0.864	78%	0.781	S	S	*	*			trans	-134.1	94.3	155.3	-78.6	-170.2	-7.8	0	0	108.1	S403 L407	S403-Q405 PolarHBondContact O-N 2.63Å; Q405-L407 PolarHBondContact O-N 3.43Å
406	S	24.2	Very low	26.8	Very low	101 Å²	101	148.3 Å²	148.3	71%	0.706	79%	0.794	S	S	*	*			trans	-67.6	111.7	171.1	53	0	0	0	0	110.2
407	L	26.1	Very low	26.1	Very low	170 Å²	170	145 Å²	145	89%	0.89	79%	0.789	S	S	*	*			trans	-130.9	112	156	-74.1	175.2	0	0	0	108.2	Q405 I409	Q405-L407 PolarHBondContact O-N 3.43Å; L407-I409 PolarHBondContact O-N 3.4Å
408	F	22	Very low	25.6	Very low	185 Å²	185	142.6 Å²	142.6	81%	0.811	79%	0.789	S	S	*	*			trans	-57.6	123.4	177.4	-69.2	-97.2	0	0	0	111.8
409	I	26.8	Very low	25.6	Very low	166 Å²	166	141.1 Å²	141.1	85%	0.851	79%	0.79	S	S	*	*			trans	-144.8	114.4	138.3	-56.3	-174.8	0	0	0	107	L407	L407-I409 PolarHBondContact O-N 3.4Å
410	S	22.3	Very low	25.1	Very low	107 Å²	107	138.9 Å²	138.9	75%	0.748	79%	0.793	S	S	*	*			trans	-86.2	134.9	179.5	-54	0	0	0	0	111
411	P	27.4	Very low	25.3	Very low	115 Å²	115	137.8 Å²	137.8	75%	0.747	79%	0.791	S	S	*	*			trans	-108	111.1	157.3	10	10.9	0	0	0	110.4
412	I	24.2	Very low	25.3	Very low	158 Å²	158	136 Å²	136	81%	0.81	79%	0.787	S	S	*	*			trans	47.2	106.2	134.5	-52.2	175.1	0	0	0	117.4
413	M	22.8	Very low	25.3	Very low	161 Å²	161	137.5 Å²	137.5	79%	0.793	79%	0.787	S	S	*	*			trans	-33.6	124.8	159.1	-66.1	-78.9	151.8	0	0	114.3
414	T	28.4	Very low	25.2	Very low	133 Å²	133	138.7 Å²	138.7	82%	0.816	80%	0.795	S	S	*	*			trans	-126.8	108.2	147.5	39.5	0	0	0	0	108.4	I416	T414-I416 PolarHBondContact O-N 3.42Å
415	N	23.2	Very low	25.2	Very low	139 Å²	139	138.5 Å²	138.5	74%	0.743	79%	0.794	S	S	*	*			trans	-69.7	111.2	175.8	-70.9	-33.4	0	0	0	109.2
416	I	25.7	Very low	25	Very low	167 Å²	167	138 Å²	138	86%	0.856	79%	0.794	S	S	*	*			trans	-124.2	94.2	153.2	-57.7	179.7	0	0	0	106.8	T414	T414-I416 PolarHBondContact O-N 3.42Å
417	T	21.3	Very low	25.2	Very low	115 Å²	115	142.4 Å²	142.4	71%	0.706	80%	0.803	S	S	*	*			trans	-64	146.7	162.5	28.4	0	0	0	0	110.8
418	T	24.7	Very low	25.2	Very low	131 Å²	131	139.4 Å²	139.4	80%	0.804	79%	0.793	S	S	*	*			trans	125.3	132.7	143.2	64.3	0	0	0	0	117.2
419	S	27.1	Very low	25.2	Very low	104 Å²	104	142.2 Å²	142.2	73%	0.727	80%	0.799	S	S	*	*			trans	68	92.2	159.8	56.6	0	0	0	0	119.8
420	S	21.8	Very low	25	Very low	122 Å²	122	141.8 Å²	141.8	85%	0.853	80%	0.797	S	S	*	*			trans	-48	125.5	135.1	51.7	0	0	0	0	112.4
421	S	28.7	Very low	25.1	Very low	115 Å²	115	141.1 Å²	141.1	80%	0.804	79%	0.792	S	S	*	*			trans	-141.8	124.2	151	58.8	0	0	0	0	108.8
422	T	27	Very low	25	Very low	119 Å²	119	142 Å²	142	73%	0.73	80%	0.796	S	S	*	*			trans	-66.3	158.4	179.9	45.8	0	0	0	0	113.1
423	D	22.9	Very low	25	Very low	148 Å²	148	140.3 Å²	140.3	79%	0.791	79%	0.788	S	S	*	*			trans	55.9	112.3	147.3	-65.6	-28	0	0	0	118.7
424	S	28.8	Very low	25	Very low	113 Å²	113	137.5 Å²	137.5	79%	0.79	78%	0.784	S	S	*	*				166.5	138.2	98.5	45.3	0	0	0	0	110.7	M426	S424-M426 PolarHBondContact O-N 2.95Å
425	D	23.6	Very low	24.8	Very low	154 Å²	154	139.3 Å²	139.3	82%	0.824	78%	0.781	S	S	*	*			trans	-51.9	119.5	172.3	-61.3	-65.1	0	0	0	112.1
426	M	27.3	Very low	24.8	Very low	175 Å²	175	138.7 Å²	138.7	86%	0.862	78%	0.782	S	S	*	*			trans	-149.4	114	151.5	-82.9	-56.9	140.7	0	0	109.1	S424 P428	S424-M426 PolarHBondContact O-N 2.95Å; M426-P428 WeakPolarHBondContact O-CD 3.38Å
427	H	26.4	Very low	24.8	Very low	194 Å²	194	135.5 Å²	135.5	90%	0.898	78%	0.775	S	S	*	*			trans	-57.5	123.2	168.7	-84.8	-77.9	0	0	0	111.3
428	P	26.3	Very low	24.9	Very low	107 Å²	107	138.7 Å²	138.7	70%	0.695	78%	0.782	S	S	*	*			trans	-106.8	103.9	159.1	15.7	6.7	0	0	0	107.8	M426 L430	M426-P428 WeakPolarHBondContact O-CD 3.38Å; P428-L430 PolarHBondContact O-N 3.05Å; P428-L430 VanDerWaalsContact O-N 3.15Å
429	R	21.8	Very low	25	Very low	244 Å²	244	138.9 Å²	138.9	92%	0.921	78%	0.783	S	S	*	*			trans	-68.3	101.3	155.2	-75.6	-167.2	173.1	-157	-0.5	106.9
430	L	24.4	Very low	24.8	Very low	157 Å²	157	138.1 Å²	138.1	82%	0.822	78%	0.778	S	S	*	*			trans	-131.3	143.2	164.8	-75.5	176.5	0	0	0	111.1	P428	P428-L430 PolarHBondContact O-N 3.05Å; P428-L430 VanDerWaalsContact O-N 3.15Å
431	S	23.6	Very low	24.8	Very low	92 Å²	92	139.3 Å²	139.3	64%	0.643	78%	0.775	S	S	*	*			trans	-64.8	155	-159.9	45.8	0	0	0	0	115.3	N433	S431-N433 PolarHBondContact O-N 3.31Å
432	V	24.4	Very low	24.7	Very low	135 Å²	135	139.1 Å²	139.1	82%	0.818	77%	0.773	S	S	*	*			trans	-35	104.2	159	180	0	0	0	0	111.1	S434	V432-S434 PolarHBondContact O-N 2.9Å
433	N	23.9	Very low	24.5	Very low	121 Å²	121	144.4 Å²	144.4	65%	0.647	78%	0.781	S	S	*	*			trans	-83.5	108.6	166.9	-87.2	-2.1	0	0	0	108.8	S431 F435	S431-N433 PolarHBondContact O-N 3.31Å; N433-F435 HydrophobicContact CB-CD2 3.93Å; N433-F435 HydrophobicContact CB-CE2 3.89Å; N433-F435 PolarHBondContact O-N 3.33Å
434	S	23.4	Very low	24.7	Very low	103 Å²	103	144.3 Å²	144.3	72%	0.72	78%	0.781	S	S	*	*			trans	-68.6	87.8	167.3	-46.1	0	0	0	0	109.5	V432 T436	V432-S434 PolarHBondContact O-N 2.9Å; S434-T436 PolarHBondContact O-N 3.2Å
435	F	23.6	Very low	24.4	Very low	170 Å²	170	145.6 Å²	145.6	75%	0.746	78%	0.779	S	S	*	*			trans	-86.2	85.3	167	-85.1	-79.5	0	0	0	109.6	N433 S437	N433-F435 HydrophobicContact CB-CD2 3.93Å; N433-F435 HydrophobicContact CB-CE2 3.89Å; N433-F435 PolarHBondContact O-N 3.33Å; F435-S437 PolarHBondContact O-N 3.27Å
436	T	23.2	Very low	24.6	Very low	126 Å²	126	144.6 Å²	144.6	77%	0.773	77%	0.774	S	S	*	*			trans	-74.9	97.9	158.6	46.9	0	0	0	0	108.1	S434	S434-T436 PolarHBondContact O-N 3.2Å
437	S	25.8	Very low	24.7	Very low	101 Å²	101	143.6 Å²	143.6	71%	0.706	77%	0.772	S	S	*	*			trans	-98.2	107	165.8	-64.7	0	0	0	0	108.4	F435	F435-S437 PolarHBondContact O-N 3.27Å
438	Q	23.4	Very low	24.7	Very low	182 Å²	182	141.5 Å²	141.5	85%	0.85	77%	0.767	S	S	*	*			trans	-68	120.8	165	-66.4	169.1	4.7	0	0	107.8
439	T	27	Very low	25	Very low	135 Å²	135	143.8 Å²	143.8	83%	0.828	77%	0.772	S	S	*	*			trans	-130.8	93	154.4	55.7	0	0	0	0	106.6
440	S	22.7	Very low	25.2	Very low	88 Å²	88	137.8 Å²	137.8	62%	0.615	76%	0.758	S	S	*	*			trans	-72.5	162.3	159.9	52.9	0	0	0	0	109.7
441	D	23.3	Very low	25.4	Very low	146 Å²	146	136.3 Å²	136.3	78%	0.781	75%	0.751	S	S	*	*			trans	97.1	108.7	150.9	-50.5	-41.5	0	0	0	119.4
442	S	26.9	Very low	25.6	Very low	111 Å²	111	140 Å²	140	78%	0.776	76%	0.764	S	S	*	*				101.2	96.4	128.3	-146.2	0	0	0	0	117.4	N444	S442-N444 PolarHBondContact O-N 3.06Å
443	Y	22.4	Very low	25.9	Very low	230 Å²	230	139 Å²	139	90%	0.902	76%	0.763	S	S	*	*			trans	-49.2	99.7	149.9	-105.5	-105	0	0	0	109.8	N445	Y443-N445 PolarHBondContact O-N 3.25Å
444	N	26.9	Very low	25.9	Very low	147 Å²	147	140.5 Å²	140.5	79%	0.786	77%	0.77	S	S	*	*			trans	-85.8	90.5	170.8	-164.4	9.9	0	0	0	109	S442	S442-N444 PolarHBondContact O-N 3.06Å
445	N	23.1	Very low	26	Very low	140 Å²	140	141.8 Å²	141.8	75%	0.749	77%	0.769	S	S	*	*			trans	-103.1	93.3	170.9	-160.2	18	0	0	0	107.4	Y443	Y443-N445 PolarHBondContact O-N 3.25Å
446	N	27.1	Very low	26.4	Very low	132 Å²	132	142.7 Å²	142.7	71%	0.706	78%	0.775	S	S	*	*			trans	-174.8	109.3	161.7	-93.2	-24.2	0	0	0	109.2
447	N	29.9	Very low	26.5	Very low	155 Å²	155	143.5 Å²	143.5	83%	0.829	78%	0.775	S	S	*	*			trans	-156.2	92	142.2	-95.5	-23.4	0	0	0	109.3	I449	N447-I449 PolarHBondContact O-N 3.33Å
448	N	25.7	Very low	26.7	Very low	149 Å²	149	145 Å²	145	80%	0.797	78%	0.78	S	S	*	*			trans	-76	105.5	162.9	-163.4	8.4	0	0	0	106.8
449	I	32.3	Very low	26.7	Very low	155 Å²	155	140.7 Å²	140.7	80%	0.795	77%	0.77	S	S	*	*			trans	-111.4	110.9	167.4	-63.9	-179	0	0	0	108.2	N447	N447-I449 PolarHBondContact O-N 3.33Å
450	N	27.2	Very low	26.9	Very low	118 Å²	118	142.3 Å²	142.3	63%	0.631	77%	0.767	S	S	*	*			trans	-83.1	159.9	-176.2	-140.3	1.1	0	0	0	110.5
451	N	28.7	Very low	27.1	Very low	127 Å²	127	143 Å²	143	68%	0.679	77%	0.768	S	S	*	*			trans	80.7	90.9	153.2	-55.5	-18.8	0	0	0	119.3	S453	N451-S453 PolarHBondContact O-N 3.25Å
452	N	27.1	Very low	27.3	Very low	169 Å²	169	142.9 Å²	142.9	90%	0.904	77%	0.768	S	S	*	*			trans	-82.3	97.7	147.4	-83.8	-20.1	0	0	0	109.2
453	S	29.7	Very low	27.3	Very low	115 Å²	115	142.3 Å²	142.3	80%	0.804	76%	0.764	S	S	*	*			trans	-87.5	111.4	164.4	53.8	0	0	0	0	109.6	N451	N451-S453 PolarHBondContact O-N 3.25Å
454	L	25.6	Very low	27.6	Very low	151 Å²	151	138.1 Å²	138.1	79%	0.791	76%	0.757	S	S	*	*			trans	-87	153.9	167.6	-113.4	91.2	0	0	0	110.9
455	N	25.3	Very low	27.8	Very low	131 Å²	131	138.3 Å²	138.3	70%	0.701	76%	0.757	S	S	*	*			trans	80.7	105.9	165.5	-71.1	-10.1	0	0	0	118.2
456	H	31.8	Very low	28	Very low	189 Å²	189	140 Å²	140	88%	0.875	76%	0.763	S	S	*	*				-163.1	137.1	110.5	-104.3	-71.2	0	0	0	112
457	N	23.8	Very low	28.2	Very low	143 Å²	143	142.5 Å²	142.5	77%	0.765	77%	0.772	S	S	*	*			trans	-70.5	149.6	178.8	-61	-41.6	0	0	0	112.7
458	T	30.9	Very low	28.1	Very low	132 Å²	132	142.2 Å²	142.2	81%	0.81	77%	0.771	S	S	*	*			trans	177.1	100	149.6	22	0	0	0	0	107.8
459	S	22.9	Very low	28	Very low	92 Å²	92	140 Å²	140	64%	0.643	77%	0.767	S	S	*	*				53.9	109	97.7	68	0	0	0	0	115.7
460	H	31.4	Very low	27.8	Very low	168 Å²	168	140.5 Å²	140.5	78%	0.778	77%	0.77	S	S	*	*			trans	160.4	101.2	140.4	-93	-69	0	0	0	108.8
461	T	26.6	Very low	27.6	Very low	104 Å²	104	139.3 Å²	139.3	64%	0.638	77%	0.771	S	S	*	*				70	120.4	94.2	59.5	0	0	0	0	114.8
462	D	27.8	Very low	27.4	Very low	143 Å²	143	138.4 Å²	138.4	77%	0.765	78%	0.775	S	S	*	*			trans	101.1	108.2	141.8	-60.9	-16.5	0	0	0	120
463	S	27.3	Very low	27.2	Very low	99 Å²	99	135.1 Å²	135.1	69%	0.692	77%	0.771	S	S	*	*				99.3	121	128.6	-56.1	0	0	0	0	119.2
464	D	29.1	Very low	26.9	Very low	141 Å²	141	134.7 Å²	134.7	75%	0.754	77%	0.768	S	S	*	*			trans	99.1	102.9	140.3	-63.3	-23.3	0	0	0	120.5
465	L	30.9	Very low	27.1	Very low	152 Å²	152	136 Å²	136	80%	0.796	77%	0.768	S	S	*	*			trans	87.9	87.5	131.6	-58.6	171.8	0	0	0	119
466	M	26.1	Very low	27.2	Very low	176 Å²	176	136.7 Å²	136.7	87%	0.867	77%	0.771	S	S	*	*				34.6	103.2	118.2	-59.3	-69.9	-176.3	0	0	118.1
467	M	31.5	Very low	26.8	Very low	183 Å²	183	136 Å²	136	90%	0.901	77%	0.766	S	S	*	*			trans	-152.6	144.5	133.5	-109.4	-65.6	-152.2	0	0	109.1
468	D	28.3	Very low	27	Very low	150 Å²	150	135 Å²	135	80%	0.802	77%	0.765	S	S	*	*			trans	-69.2	153.5	-150.5	-81.7	-54.2	0	0	0	117.6
469	S	23.8	Very low	26.8	Very low	103 Å²	103	135.2 Å²	135.2	72%	0.72	76%	0.761	S	S	*	*			trans	-68.5	153.5	165.3	-59	0	0	0	0	111.5
470	L	27.6	Very low	26.8	Very low	164 Å²	164	138 Å²	138	86%	0.859	77%	0.768	S	S	*	*			trans	156.3	97.5	130.8	-80.6	168.1	0	0	0	107.4
471	S	23	Very low	26.6	Very low	93 Å²	93	135.3 Å²	135.3	65%	0.65	76%	0.763	S	S	*	*				85	99.1	83.3	-177.6	0	0	0	0	113.2
472	S	24.5	Very low	26.5	Very low	109 Å²	109	138.3 Å²	138.3	76%	0.762	77%	0.77	S	S	*	*				62.2	119.3	121.3	-36.2	0	0	0	0	120
473	A	23.1	Very low	26.3	Very low	100 Å²	100	140.4 Å²	140.4	83%	0.826	77%	0.772	S	S	*	*			trans	77.1	101.4	139.9	0	0	0	0	0	118.4
474	S	24.1	Very low	26.2	Very low	106 Å²	106	141.3 Å²	141.3	74%	0.741	78%	0.776	S	S	*	*			trans	-117.4	108	153.4	175.6	0	0	0	0	108.8
475	K	28.3	Very low	25.8	Very low	178 Å²	178	140.6 Å²	140.6	77%	0.774	78%	0.782	S	S	*	*			trans	-88.5	142.8	167.7	-76.4	176.7	175.4	175.2	0	108.7
476	N	27.4	Very low	25.4	Very low	145 Å²	145	137.1 Å²	137.1	78%	0.775	78%	0.776	S	S	*	*			trans	65.6	95.7	152.8	-58.5	-13.2	0	0	0	118.1	T478	N476-T478 PolarHBondContact O-N 3.34Å
477	F	24.4	Very low	25.3	Very low	175 Å²	175	138.2 Å²	138.2	77%	0.768	78%	0.776	S	S	*	*			trans	-86.1	97.2	158.9	-81.4	-83.8	0	0	0	110.3
478	T	28.6	Very low	24.9	Very low	121 Å²	121	141.2 Å²	141.2	74%	0.742	78%	0.777	S	S	*	*			trans	-109.2	95.9	154.4	49.5	0	0	0	0	107.2	N476 L480	N476-T478 PolarHBondContact O-N 3.34Å; T478-L480 PolarHBondContact O-N 3.28Å
479	N	26.7	Very low	24.8	Very low	137 Å²	137	140.2 Å²	140.2	73%	0.733	77%	0.77	S	S	*	*			trans	-73.9	97.6	178	-79.3	-20.4	0	0	0	110	V481	N479-V481 PolarHBondContact O-N 3.22Å
480	L	21.9	Very low	24.8	Very low	150 Å²	150	140.2 Å²	140.2	79%	0.785	77%	0.768	S	S	*	*			trans	-66	106.3	156.7	-91.2	140.8	0	0	0	108.7	T478 H482	T478-L480 PolarHBondContact O-N 3.28Å; L480-H482 PolarHBondContact O-N 3.27Å
481	V	27.1	Very low	24.8	Very low	112 Å²	112	139.7 Å²	139.7	68%	0.679	77%	0.766	S	S	*	*			trans	-91.2	100.7	167.3	-179.9	0	0	0	0	107.8	N479 F483	N479-V481 PolarHBondContact O-N 3.22Å; V481-F483 HydrophobicContact CG1-CD2 4.49Å; V481-F483 HydrophobicContact CG1-CE2 4.18Å; V481-F483 PolarHBondContact O-N 3.23Å
482	H	24.5	Very low	25	Very low	167 Å²	167	140.4 Å²	140.4	77%	0.773	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-62.4	122.7	166.9	-101	41.1	0	0	0	109.9	L480	L480-H482 PolarHBondContact O-N 3.27Å
483	F	23.1	Very low	25.1	Very low	187 Å²	187	141.7 Å²	141.7	82%	0.82	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-97.8	130.5	159	-84.1	-80.3	0	0	0	109.2	V481	V481-F483 HydrophobicContact CG1-CD2 4.49Å; V481-F483 HydrophobicContact CG1-CE2 4.18Å; V481-F483 PolarHBondContact O-N 3.23Å
484	P	25.2	Very low	25.4	Very low	119 Å²	119	141.8 Å²	141.8	77%	0.773	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-75.1	129.5	-178.5	-4.5	20.9	0	0	0	111.1	A486	P484-A486 PolarHBondContact O-N 3.26Å
485	S	21.3	Very low	25.6	Very low	125 Å²	125	145.2 Å²	145.2	87%	0.874	77%	0.765	S	S	*	*			trans	-72.7	100	165.6	53.5	0	0	0	0	110.4
486	A	24	Very low	25.6	Very low	80 Å²	80	145.9 Å²	145.9	66%	0.661	77%	0.768	S	S	*	*			trans	-162.6	100.9	161.3	0	0	0	0	0	109.6	P484	P484-A486 PolarHBondContact O-N 3.26Å
487	F	23.7	Very low	25.5	Very low	198 Å²	198	146.2 Å²	146.2	87%	0.868	77%	0.767	S	S	*	*			trans	-173.9	99.5	132.9	-109.8	-79.3	0	0	0	108	I489	F487-I489 HydrophobicContact CD1-CD1 4.48Å; F487-I489 HydrophobicContact CD1-CG1 4.32Å
488	R	22	Very low	25.5	Very low	247 Å²	247	145 Å²	145	93%	0.932	77%	0.768	S	S	*	*			trans	-98.3	104.4	175.8	-158.9	-176.8	-158.9	-175.5	5.6	105.6
489	I	26.1	Very low	25.6	Very low	129 Å²	129	147.8 Å²	147.8	66%	0.662	77%	0.772	S	S	*	*			trans	-107.9	116.4	168.5	-59.1	174.9	0	0	0	106.2	F487	F487-I489 HydrophobicContact CD1-CD1 4.48Å; F487-I489 HydrophobicContact CD1-CG1 4.32Å
490	P	24.1	Very low	25.5	Very low	102 Å²	102	146.4 Å²	146.4	66%	0.662	77%	0.773	S	S	*	*			trans	-85.3	111.6	174.5	25	-16.3	0	0	0	109.6	T492	P490-T492 PolarHBondContact O-N 3Å; P490-T492 VanDerWaalsContact O-N 3.08Å
491	D	27.5	Very low	25.6	Very low	153 Å²	153	146.8 Å²	146.8	82%	0.818	78%	0.775	S	S	*	*			trans	-76.3	96.3	167.8	-73.9	-25.8	0	0	0	108.9	T493	D491-T493 PolarHBondContact O-N 2.79Å
492	T	28.2	Very low	25.5	Very low	109 Å²	109	146.7 Å²	146.7	67%	0.669	78%	0.776	S	S	*	*			trans	-64.2	113	170.6	47.5	0	0	0	0	110	P490 T494	P490-T492 PolarHBondContact O-N 3Å; P490-T492 VanDerWaalsContact O-N 3.08Å; T492-T494 PolarHBondContact O-N 3.18Å
493	T	25.7	Very low	25.5	Very low	135 Å²	135	148.2 Å²	148.2	83%	0.828	78%	0.781	S	S	*	*			trans	-48.4	105.5	157.2	43	0	0	0	0	110.4	D491	D491-T493 PolarHBondContact O-N 2.79Å
494	T	30.2	Very low	25.6	Very low	103 Å²	103	146.3 Å²	146.3	63%	0.632	78%	0.777	S	S	*	*			trans	-121.2	92.1	165.7	35.5	0	0	0	0	109	T492 F496	T492-T494 PolarHBondContact O-N 3.18Å; T494-F496 PolarHBondContact O-N 2.77Å; T494-F496 VanDerWaalsContact O-N 3.12Å
495	Q	27.8	Very low	25.5	Very low	178 Å²	178	150.6 Å²	150.6	83%	0.832	78%	0.78	S	S	*	*			trans	-64.8	97.4	162.3	-66.2	171.8	-6.9	0	0	107.7	M497	Q495-M497 PolarHBondContact O-N 3.18Å
496	F	27.7	Very low	25.8	Very low	192 Å²	192	153.4 Å²	153.4	84%	0.842	78%	0.779	S	S	*	*			trans	-87.5	91.4	166.2	-95.6	-83.9	0	0	0	109.1	T494	T494-F496 PolarHBondContact O-N 2.77Å; T494-F496 VanDerWaalsContact O-N 3.12Å
497	M	26.9	Very low	25.8	Very low	151 Å²	151	155.9 Å²	155.9	74%	0.744	78%	0.781	S	S	*	*			trans	-59.1	139.2	162.7	-82.2	-90.1	-179.8	0	0	110.6	Q495 H499	Q495-M497 PolarHBondContact O-N 3.18Å; M497-H499 PolarHBondContact O-N 3.42Å
498	N	23	Very low	25.8	Very low	150 Å²	150	151.3 Å²	151.3	80%	0.802	77%	0.774	S	S	*	*			trans	-40.7	115.7	169.4	-67	-44.1	0	0	0	113.5
499	H	30.6	Very low	26	Very low	179 Å²	179	147.9 Å²	147.9	83%	0.829	77%	0.768	S	S	*	*			trans	-128.8	95.8	155.3	-81.1	-67.3	0	0	0	110.1	M497	M497-H499 PolarHBondContact O-N 3.42Å
500	S	24.9	Very low	25.9	Very low	108 Å²	108	149.9 Å²	149.9	76%	0.755	78%	0.779	S	S	*	*			trans	15.6	107.7	142.6	-47.6	0	0	0	0	117.3	P502	S500-P502 WeakPolarHBondContact O-CD 3.33Å
501	I	24.2	Very low	26	Very low	159 Å²	159	150 Å²	150	82%	0.815	78%	0.777	S	S	*	*			trans	-54	119.9	165.8	-61.5	163.2	0	0	0	110	K503	I501-K503 PolarHBondContact O-N 2.76Å
502	P	25.5	Very low	25.8	Very low	109 Å²	109	148.1 Å²	148.1	71%	0.708	78%	0.777	S	S	*	*			trans	-76.2	115.7	169.7	-7.8	24.7	0	0	0	109.4	S500 I504	S500-P502 WeakPolarHBondContact O-CD 3.33Å; P502-I504 PolarHBondContact O-N 2.57Å; P502-I504 VanDerWaalsContact O-N 3.13Å
503	K	23.4	Very low	25.6	Very low	200 Å²	200	150.9 Å²	150.9	87%	0.87	79%	0.786	S	S	*	*			trans	-64.3	104	164.6	-71.5	175.7	176.6	176.4	0	108.7	I501	I501-K503 PolarHBondContact O-N 2.76Å
504	I	25.8	Very low	25.3	Very low	146 Å²	146	151.1 Å²	151.1	75%	0.749	78%	0.782	S	S	*	*			trans	-118.5	96.2	160.1	-62.6	178.2	0	0	0	107.6	P502 Q506	P502-I504 PolarHBondContact O-N 2.57Å; P502-I504 VanDerWaalsContact O-N 3.13Å; I504-Q506 PolarHBondContact O-N 3.11Å
505	Y	22	Very low	25	Very low	210 Å²	210	150.7 Å²	150.7	82%	0.824	78%	0.784	S	S	*	*			trans	-64.3	116	158.1	-118.3	-101.7	0	0	0	107.5
506	Q	29.5	Very low	24.8	Very low	183 Å²	183	152.8 Å²	152.8	86%	0.855	78%	0.784	S	S	*	*			trans	-143.8	135.2	146.3	-82.4	-153.4	-18.8	0	0	111	I504	I504-Q506 PolarHBondContact O-N 3.11Å
507	N	24.1	Very low	24.6	Very low	133 Å²	133	149.2 Å²	149.2	71%	0.711	77%	0.774	S	S	*	*			trans	-64.7	140.5	-168.4	-72	-27.1	0	0	0	114.5
508	S	23.1	Very low	24.5	Very low	102 Å²	102	151.2 Å²	151.2	71%	0.713	78%	0.779	S	S	*	*			trans	4.3	111.6	135.6	57.9	0	0	0	0	117.6
509	Q	26.8	Very low	24.7	Very low	174 Å²	174	151.5 Å²	151.5	81%	0.813	78%	0.778	S	S	*	*			trans	-140.2	94.4	142.5	-71.7	-160.5	3.5	0	0	109.3	T511	Q509-T511 PolarHBondContact O-N 2.84Å
510	I	22.9	Very low	24.5	Very low	172 Å²	172	148.8 Å²	148.8	88%	0.882	78%	0.777	S	S	*	*			trans	-72.8	105.3	161.5	-62.8	168.5	0	0	0	105.7
511	T	26.3	Very low	24.4	Very low	103 Å²	103	148.6 Å²	148.6	63%	0.632	78%	0.776	S	S	*	*			trans	-123.7	107	165.3	39.8	0	0	0	0	108.8	Q509 L513	Q509-T511 PolarHBondContact O-N 2.84Å; T511-L513 PolarHBondContact O-N 3.37Å; T511-L513 VanDerWaalsContact O-N 3.15Å
512	S	23	Very low	24.4	Very low	115 Å²	115	146.9 Å²	146.9	80%	0.804	78%	0.777	S	S	*	*			trans	-61.6	104.1	167.5	54.3	0	0	0	0	109.4	N514	S512-N514 PolarHBondContact O-N 3.01Å
513	L	24.1	Very low	24.6	Very low	167 Å²	167	145.6 Å²	145.6	87%	0.874	78%	0.784	S	S	*	*			trans	-90.8	102.9	167.3	-87.2	162.4	0	0	0	109.4	T511	T511-L513 PolarHBondContact O-N 3.37Å; T511-L513 VanDerWaalsContact O-N 3.15Å
514	N	20.6	Very low	24.5	Very low	139 Å²	139	144.2 Å²	144.2	74%	0.743	79%	0.785	S	S	*	*			trans	-56.4	153	165.4	-114	-32.1	0	0	0	111.9	S512	S512-N514 PolarHBondContact O-N 3.01Å
515	S	22.3	Very low	24.7	Very low	95 Å²	95	143.3 Å²	143.3	66%	0.664	79%	0.786	S	S	*	*			trans	66.1	116	149.1	60.5	0	0	0	0	118.5
516	R	23.3	Very low	24.8	Very low	222 Å²	222	140.7 Å²	140.7	84%	0.838	79%	0.787	S	S	*	*				174	128	114.2	-94.4	163.8	-179.9	169.1	0.9	112.3
517	N	23.9	Very low	24.5	Very low	116 Å²	116	139.8 Å²	139.8	62%	0.62	79%	0.787	S	S	*	*			trans	57.8	114.4	135.4	-50.2	-13.5	0	0	0	118.9
518	F	25.5	Very low	24.7	Very low	194 Å²	194	138.2 Å²	138.2	85%	0.851	78%	0.784	S	S	*	*				173.4	116.2	86	-96.6	-74.2	0	0	0	108.4
519	I	27.2	Very low	24.8	Very low	155 Å²	155	139.9 Å²	139.9	80%	0.795	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-84.8	130.3	168.1	-64.7	167.1	0	0	0	107.1
520	P	25.4	Very low	24.7	Very low	123 Å²	123	140 Å²	140	80%	0.799	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-80.1	130.9	162.8	25	-17.7	0	0	0	110.3
521	S	23.5	Very low	24.7	Very low	104 Å²	104	137 Å²	137	73%	0.727	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-67.7	158.9	-174.5	-53	0	0	0	0	115.1
522	S	24.5	Very low	24.6	Very low	122 Å²	122	136.7 Å²	136.7	85%	0.853	78%	0.779	S	S	*	*			trans	70.5	112.7	138.3	58.4	0	0	0	0	119.6
523	G	28.7	Very low	24.7	Very low	82 Å²	82	135.5 Å²	135.5	85%	0.845	77%	0.771	S	S	*	*			trans	-174.3	59.6	165	0	0	0	0	0	111.5
524	L	22.7	Very low	24.7	Very low	171 Å²	171	134.5 Å²	134.5	90%	0.895	77%	0.766	S	S	*	*			trans	-63.3	124.3	173	-81.5	153.7	0	0	0	111.5
525	V	28.5	Very low	25.1	Very low	128 Å²	128	133.1 Å²	133.1	78%	0.776	77%	0.767	S	S	*	*			trans	-151.5	110.5	142.2	-175.2	0	0	0	0	110.6
526	N	25.1	Very low	25.1	Very low	155 Å²	155	136.4 Å²	136.4	83%	0.829	78%	0.777	S	S	*	*			trans	50.7	103.5	148	-59.1	-24.6	0	0	0	122.3
527	L	24	Very low	25.5	Very low	163 Å²	163	130.8 Å²	130.8	85%	0.853	77%	0.769	S	S	*	*			trans	-64.9	178.2	133.4	-123.3	69.1	0	0	0	110
528	P	27.9	Very low	25.5	Very low	101 Å²	101	136.8 Å²	136.8	66%	0.656	78%	0.784	S	S	*	*			cis	-138.2	163.6	-7.5	37.7	-19.1	0	0	0	114.6
529	N	24.9	Very low	25.4	Very low	136 Å²	136	134.4 Å²	134.4	73%	0.727	78%	0.776	S	S	*	*			trans	-172.5	114.1	142.1	-99.6	-20.4	0	0	0	106.1
530	K	23.9	Very low	25.3	Very low	176 Å²	176	132.4 Å²	132.4	77%	0.765	77%	0.773	S	S	*	*				114.4	131.6	57.4	-111.2	-172	-173	174.3	0	104.9
531	S	22.9	Very low	25.1	Very low	109 Å²	109	133.9 Å²	133.9	76%	0.762	77%	0.767	S	S	*	*			trans	60.7	131.8	157	49.5	0	0	0	0	115.8
532	S	25.2	Very low	25.1	Very low	97 Å²	97	136.9 Å²	136.9	68%	0.678	78%	0.775	S	S	*	*			cis	178.5	152.2	15.7	37.3	0	0	0	0	105.9
533	S	25.2	Very low	25	Very low	90 Å²	90	135.6 Å²	135.6	63%	0.629	77%	0.766	S	S	*	*			trans	47.5	134.5	138.1	66.5	0	0	0	0	118.5
534	N	23.8	Very low	24.9	Very low	147 Å²	147	137.2 Å²	137.2	79%	0.786	77%	0.765	S	S	*	*			cis	176	165.9	10.1	-107.3	-15.7	0	0	0	103.3
535	S	28.6	Very low	24.9	Very low	109 Å²	109	135.4 Å²	135.4	76%	0.762	76%	0.756	S	S	*	*			trans	62.2	90.4	154.5	58.7	0	0	0	0	118.6
536	L	22.7	Very low	24.8	Very low	164 Å²	164	135.6 Å²	135.6	86%	0.859	75%	0.752	S	S	*	*				6.4	161	105.6	-70.3	165.6	0	0	0	117.3
537	P	30.8	Very low	24.7	Very low	104 Å²	104	134.6 Å²	134.6	68%	0.675	75%	0.752	S	S	*	*				-133.5	135.4	-66.7	32.4	-12.4	0	0	0	110.5
538	Y	24.2	Very low	24.6	Very low	242 Å²	242	139 Å²	139	95%	0.949	76%	0.758	S	S	*	*			trans	-120.1	100.4	162.6	-105.6	-88	0	0	0	109.3
539	Q	23.1	Very low	24.4	Very low	144 Å²	144	138.9 Å²	138.9	67%	0.673	76%	0.759	S	S	*	*			trans	-65	151	146.6	-85.4	-160.8	-10.6	0	0	108.1
540	P	25.3	Very low	24.3	Very low	113 Å²	113	140.3 Å²	140.3	73%	0.734	77%	0.766	S	S	*	*			cis	-140.7	148.5	48.5	32.5	-10.7	0	0	0	116.7
541	F	21.4	Very low	24.3	Very low	154 Å²	154	139.4 Å²	139.4	68%	0.675	77%	0.769	S	S	*	*			trans	19	102.6	135.5	-73.6	-93.8	0	0	0	117.3
542	N	24	Very low	24.3	Very low	167 Å²	167	141.6 Å²	141.6	89%	0.893	77%	0.772	S	S	*	*			trans	-116.5	95.6	135.7	-94	-24.8	0	0	0	107.2	S544	N542-S544 PolarHBondContact O-N 3.38Å
543	S	22.7	Very low	24.2	Very low	96 Å²	96	142.7 Å²	142.7	67%	0.671	78%	0.779	S	S	*	*			trans	-68.8	100.5	165.3	51.4	0	0	0	0	108.5
544	S	25.2	Very low	24.2	Very low	116 Å²	116	142.6 Å²	142.6	81%	0.811	78%	0.784	S	S	*	*			trans	-107.4	61.7	156.3	60.1	0	0	0	0	108.7	N542	N542-S544 PolarHBondContact O-N 3.38Å
545	N	24.1	Very low	24.2	Very low	132 Å²	132	142.4 Å²	142.4	71%	0.706	78%	0.783	S	S	*	*			trans	-89.1	131.5	142.6	-65.3	-12.5	0	0	0	102.7
546	D	24.9	Very low	24	Very low	132 Å²	132	144.3 Å²	144.3	71%	0.706	79%	0.785	S	S	*	*			cis	-153.7	147.7	30	-71.8	-63	0	0	0	104.8
547	T	24	Very low	24.1	Very low	135 Å²	135	144.6 Å²	144.6	83%	0.828	78%	0.781	S	S	*	*	S	Bend		177.7	72.3	106.9	34.4	0	0	0	0	107.4
548	R	22.5	Very low	23.7	Very low	256 Å²	256	146 Å²	146	97%	0.966	79%	0.792	S	S	*	*	S	Bend	trans	-124.5	10.4	168.9	-98.3	-173.5	177.2	-176.3	-0	114.5
549	S	23.4	Very low	23.6	Very low	98 Å²	98	139 Å²	139	69%	0.685	78%	0.779	S	S	*	*	S	Bend	trans	-123.5	4.8	-176.2	69.4	0	0	0	0	117.4
550	L	23.1	Very low	23.6	Very low	166 Å²	166	139.1 Å²	139.1	87%	0.869	78%	0.784	S	S	*	*	S	Bend	trans	-102.2	16.4	178	-70.4	179.3	0	0	0	115.7
551	L	22.8	Very low	23.7	Very low	157 Å²	157	139.1 Å²	139.1	82%	0.822	79%	0.786	S	S	*	*	S	Bend	trans	-103.1	2.3	176.4	-102	145.1	0	0	0	115
552	N	23.6	Very low	24	Very low	154 Å²	154	137.4 Å²	137.4	82%	0.824	79%	0.794	S	S	*	*	S	Bend	trans	-102.2	17	-178.8	-90.1	-3.1	0	0	0	115.7
553	S	23.7	Very low	24.3	Very low	120 Å²	120	133.4 Å²	133.4	84%	0.839	78%	0.779	S	S	*	*	S	Bend	trans	-121.1	7	179.6	-62.6	0	0	0	0	116.6
554	A	23.9	Very low	25	Very low	88 Å²	88	137.2 Å²	137.2	73%	0.727	79%	0.786	S	S	*	*	S	Bend	trans	-103.9	-8	176	0	0	0	0	0	115.1	N556	A554-N556 VanDerWaalsContact C-N 3.29Å; A554-N556 PolarHBondContact O-N 3.31Å
555	N	24.4	Very low	25.4	Very low	144 Å²	144	137.9 Å²	137.9	77%	0.77	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	9.5	-172.7	-82	-5.6	0	0	0	116.2
556	N	24.6	Very low	25.8	Very low	148 Å²	148	136.1 Å²	136.1	79%	0.791	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.6	15.9	-176	-75.9	-10.5	0	0	0	115.9	A554	A554-N556 VanDerWaalsContact C-N 3.29Å; A554-N556 PolarHBondContact O-N 3.31Å
557	H	24.2	Very low	26.5	Very low	170 Å²	170	134.4 Å²	134.4	79%	0.787	76%	0.76	S	S	*	*			trans	-141.5	64.7	169.3	-80.7	-58	0	0	0	112.3
558	C	22.7	Very low	26.9	Very low	134 Å²	134	131.2 Å²	131.2	91%	0.905	74%	0.743	S	S	*	*			trans	-139.2	60.4	156	-93	0	0	0	0	108.9
559	S	22.3	Very low	27.7	Very low	96 Å²	96	121.2 Å²	121.2	67%	0.671	71%	0.71	S	S	*	*			trans	-76.7	115.4	157.2	45.4	0	0	0	0	108.2
560	D	23.9	Very low	28.2	Very low	146 Å²	146	122.9 Å²	122.9	78%	0.781	70%	0.702	S	S	*	*	S	Bend	trans	56.3	77.2	151.6	-59.2	-28.3	0	0	0	118.5
561	S	25.8	Very low	28.9	Very low	112 Å²	112	118.1 Å²	118.1	78%	0.783	68%	0.682	S	S	*	*			trans	-132.5	11.7	147.9	62.2	0	0	0	0	113.8	S563	S561-S563 PolarHBondContact O-N 3.08Å
562	S	27.5	Very low	29.5	Very low	119 Å²	119	115 Å²	115	83%	0.832	67%	0.67	S	S	*	*			trans	-82.9	8.6	175.8	64.2	0	0	0	0	114.2
563	S	32	Very low	30.2	Very low	82 Å²	82	108.3 Å²	108.3	57%	0.573	63%	0.633	S	S	*	*			trans	-100	137.4	172.3	67.1	0	0	0	0	110.4	S561	S561-S563 PolarHBondContact O-N 3.08Å
564	Q	37.2	Very low	31	Very low	176 Å²	176	106.4 Å²	106.4	82%	0.822	62%	0.621	S	S	*	*			trans	102.5	46.5	170.8	-52	-178	20.8	0	0	116.8
565	W	33.3	Very low	31.7	Very low	130 Å²	130	109 Å²	109	49%	0.492	62%	0.622	S	S	.	*			trans	-100.6	112.5	148.1	-69.5	60	0	0	0	107.3	T569 M573 M592	W565-T569 HydrophobicContact CE3-CG2 3.95Å; W565-T569 HydrophobicContact CZ3-CG2 4.27Å; W565-M573 HydrophobicContact CE3-SD 3.71Å; W565-M573 HydrophobicContact CZ3-SD 3.65Å; W565-M592 HydrophobicContact CH2-CE 3.69Å; W565-M592 HydrophobicContact CH2-CG 4.46Å; W565-M592 HydrophobicContact CZ3-CE 3.76Å
566	N	32.9	Very low	32.4	Very low	96 Å²	96	107.8 Å²	107.8	51%	0.513	62%	0.615	S	S	.	*			trans	-69.7	155.9	179.6	54.1	25.4	0	0	0	110.7	S568 T569 W570	N566-S568 PolarHBondContact ND2-OG 3.2Å; N566-S568 PolarHBondContact O-N 3.43Å; N566-S568 PolarHBondContact OD1-OG 3.3Å; N566-T569 PolarHBondContact N-OG1 2.91Å; N566-T569 VanDerWaalsContact N-OG1 3.16Å; N566-T569 PolarHBondContact O-N 3.47Å; N566-T569 PolarHBondContact O-OG1 3.03Å; N566-T569 PolarHBondContact OD1-N 3.16Å; N566-T569 PolarHBondContact OD1-OG1 2.7Å; N566-W570 PolarHBondContact O-N 3.01Å
567	S	38.1	Very low	33.1	Very low	96 Å²	96	104.2 Å²	104.2	67%	0.671	61%	0.613	S	S	*	*	H	α-helix	trans	-55.6	-26	179.7	179.7	0	0	0	0	113.2	W570 S571	S567-W570 PolarHBondContact O-N 3.48Å; S567-S571 PolarHBondContact O-N 2.94Å; S567-S571 PolarHBondContact O-OG 3.48Å
568	S	33.7	Very low	33.8	Very low	67 Å²	67	97.4 Å²	97.4	47%	0.469	58%	0.584	S	S	.	*	H	α-helix	trans	-67.4	-38.2	174.9	47	0	0	0	0	112.5	N566 W570 S571 T572	N566-S568 PolarHBondContact ND2-OG 3.2Å; N566-S568 PolarHBondContact O-N 3.43Å; N566-S568 PolarHBondContact OD1-OG 3.3Å; S568-W570 VanDerWaalsContact C-N 3.29Å; S568-W570 PolarHBondContact O-N 3.27Å; S568-S571 PolarHBondContact O-N 3.16Å; S568-T572 PolarHBondContact O-N 3.28Å; S568-T572 PolarHBondContact O-OG1 3.12Å
569	T	38.1	Very low	34.7	Very low	46 Å²	46	97 Å²	97	28%	0.282	57%	0.573	S	S	.	*	H	α-helix	trans	-61.7	-42.1	175.2	13	0	0	0	0	110.4	W565 N566 S571 T572 M573	W565-T569 HydrophobicContact CE3-CG2 3.95Å; W565-T569 HydrophobicContact CZ3-CG2 4.27Å; N566-T569 PolarHBondContact N-OG1 2.91Å; N566-T569 VanDerWaalsContact N-OG1 3.16Å; N566-T569 PolarHBondContact O-N 3.47Å; N566-T569 PolarHBondContact O-OG1 3.03Å; N566-T569 PolarHBondContact OD1-N 3.16Å; N566-T569 PolarHBondContact OD1-OG1 2.7Å; T569-S571 PolarHBondContact O-N 3.3Å; T569-T572 PolarHBondContact O-N 3.18Å; T569-M573 WeakPolarHBondContact O-CB 3.45Å; T569-M573 WeakPolarHBondContact O-CG 3.42Å; T569-M573 PolarHBondContact O-N 3.05Å
570	W	35.1	Very low	35.8	Very low	134 Å²	134	94.3 Å²	94.3	51%	0.508	55%	0.549	S	S	.	.	H	α-helix	trans	-61.2	-40.3	173.9	-75.2	97.2	0	0	0	113.4	N566 S567 S568 M573 S574	N566-W570 PolarHBondContact O-N 3.01Å; S567-W570 PolarHBondContact O-N 3.48Å; S568-W570 VanDerWaalsContact C-N 3.29Å; S568-W570 PolarHBondContact O-N 3.27Å; W570-M573 HydrophobicContact CD2-CE 4.03Å; W570-M573 HydrophobicContact CE3-CE 3.69Å; W570-M573 HydrophobicContact CH2-CE 4.29Å; W570-M573 HydrophobicContact CZ3-CE 3.84Å; W570-M573 WeakPolarHBondContact O-CB 3.48Å; W570-M573 PolarHBondContact O-N 2.93Å; W570-S574 PolarHBondContact O-N 3.03Å
571	S	37.1	Very low	36.9	Very low	65 Å²	65	93.2 Å²	93.2	46%	0.455	55%	0.548	S	S	.	.	H	α-helix	trans	-67.8	-43.3	176.3	-68.8	0	0	0	0	112.4	S567 S568 T569 M573 S574 N575	S567-S571 PolarHBondContact O-N 2.94Å; S567-S571 PolarHBondContact O-OG 3.48Å; S568-S571 PolarHBondContact O-N 3.16Å; T569-S571 PolarHBondContact O-N 3.3Å; S571-M573 PolarHBondContact O-N 3.25Å; S571-S574 PolarHBondContact O-N 3.01Å; S571-S574 PolarHBondContact O-OG 2.93Å; S571-N575 PolarHBondContact O-N 3.46Å
572	T	36.3	Very low	37.8	Very low	93 Å²	93	92.1 Å²	92.1	57%	0.571	55%	0.545	S	S	*	.	H	α-helix	trans	-62.9	-34.6	173.9	-30.7	0	0	0	0	111	S568 T569 N575	S568-T572 PolarHBondContact O-N 3.28Å; S568-T572 PolarHBondContact O-OG1 3.12Å; T569-T572 PolarHBondContact O-N 3.18Å; T572-N575 PolarHBondContact O-N 3.19Å
573	M	37.9	Very low	39.1	Very low	12 Å²	12	87.7 Å²	87.7	6%	0.059	51%	0.512	C	S	.	.	H	α-helix	trans	-67.1	-38.3	174.3	-76.2	152.9	58.6	0	0	113.1	W565 T569 W570 S571 N575 L576 F580	W565-M573 HydrophobicContact CE3-SD 3.71Å; W565-M573 HydrophobicContact CZ3-SD 3.65Å; T569-M573 WeakPolarHBondContact O-CB 3.45Å; T569-M573 WeakPolarHBondContact O-CG 3.42Å; T569-M573 PolarHBondContact O-N 3.05Å; W570-M573 HydrophobicContact CD2-CE 4.03Å; W570-M573 HydrophobicContact CE3-CE 3.69Å; W570-M573 HydrophobicContact CH2-CE 4.29Å; W570-M573 HydrophobicContact CZ3-CE 3.84Å; W570-M573 WeakPolarHBondContact O-CB 3.48Å; W570-M573 PolarHBondContact O-N 2.93Å; S571-M573 PolarHBondContact O-N 3.25Å; M573-N575 VanDerWaalsContact C-N 3.26Å; M573-N575 PolarHBondContact O-N 3.26Å; M573-L576 PolarHBondContact O-N 2.78Å; M573-F580 HydrophobicContact CB-CE2 4.28Å
574	S	40.4	Very low	40.8	Very low	81 Å²	81	87.3 Å²	87.3	57%	0.566	51%	0.507	S	S	*	.	H	α-helix	trans	-65.2	-30.6	175.9	69.6	0	0	0	0	112.6	W570 S571 L576 G577	W570-S574 PolarHBondContact O-N 3.03Å; S571-S574 PolarHBondContact O-N 3.01Å; S571-S574 PolarHBondContact O-OG 2.93Å; S574-L576 VanDerWaalsContact C-N 3.26Å; S574-L576 PolarHBondContact O-N 3Å; S574-G577 PolarHBondContact O-N 3.25Å
575	N	38	Very low	41.9	Very low	141 Å²	141	84.1 Å²	84.1	75%	0.754	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-13.8	176.5	-74.5	-16.9	0	0	0	113.5	S571 T572 M573 G577	S571-N575 PolarHBondContact O-N 3.46Å; T572-N575 PolarHBondContact O-N 3.19Å; M573-N575 VanDerWaalsContact C-N 3.26Å; M573-N575 PolarHBondContact O-N 3.26Å; N575-G577 PolarHBondContact O-N 3.07Å
576	L	39.5	Very low	43.3	Very low	120 Å²	120	81 Å²	81	63%	0.628	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	10.4	175.7	-70.9	167	0	0	0	113.1	M573 S574 C578	M573-L576 PolarHBondContact O-N 2.78Å; S574-L576 VanDerWaalsContact C-N 3.26Å; S574-L576 PolarHBondContact O-N 3Å; L576-C578 PolarHBondContact O-N 3.03Å; L576-C578 PolarHBondContact O-SG 3.45Å
577	G	38.8	Very low	44.6	Very low	72 Å²	72	78.5 Å²	78.5	74%	0.742	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	13.6	170.5	0	0	0	0	0	114.8	S574 N575 N579	S574-G577 PolarHBondContact O-N 3.25Å; N575-G577 PolarHBondContact O-N 3.07Å; G577-N579 PolarHBondContact O-N 2.93Å
578	C	40.3	Very low	45.8	Very low	27 Å²	27	75.2 Å²	75.2	18%	0.182	46%	0.463	C	S	.	.			trans	-86.5	116.5	-176.1	-67.1	0	0	0	0	109.9	L576 F580 V603	L576-C578 PolarHBondContact O-N 3.03Å; L576-C578 PolarHBondContact O-SG 3.45Å; C578-F580 VanDerWaalsContact C-N 3.3Å; C578-F580 HydrophobicContact CB-CD2 3.97Å; C578-F580 HydrophobicContact CB-CE1 4.08Å; C578-F580 HydrophobicContact CB-CE2 3.42Å; C578-F580 VanDerWaalsContact CB-CE2 3.42Å; C578-F580 HydrophobicContact CB-CZ 3.48Å; C578-F580 VanDerWaalsContact CB-CZ 3.48Å; C578-F580 WeakPolarHBondContact O-CD2 3.16Å; C578-F580 PolarHBondContact O-N 3.07Å; C578-V603 HydrophobicContact CB-CG1 4.41Å; C578-V603 VanDerWaalsContact SG-CB 3.59Å
579	N	40.8	Very low	47.3	Very low	127 Å²	127	75.6 Å²	75.6	68%	0.679	46%	0.46	S	S	*	.			trans	-77.5	82.5	176.6	-157	6.8	0	0	0	109.1	G577 T581	G577-N579 PolarHBondContact O-N 2.93Å; N579-T581 PolarHBondContact O-N 3.29Å; N579-T581 VanDerWaalsContact O-N 3.08Å; N579-T581 WeakPolarHBondContact OD1-CG2 3.41Å; N579-T581 PolarHBondContact OD1-OG1 2.77Å
580	F	44.9	Very low	48.7	Very low	39 Å²	39	78 Å²	78	17%	0.171	47%	0.47	C	S	.	.	G	3₁₀ helix	trans	-69.7	1.7	-176.7	-68	-75.5	0	0	0	114.1	M573 C578 A582 L583 I588 V603	M573-F580 HydrophobicContact CB-CE2 4.28Å; C578-F580 VanDerWaalsContact C-N 3.3Å; C578-F580 HydrophobicContact CB-CD2 3.97Å; C578-F580 HydrophobicContact CB-CE1 4.08Å; C578-F580 HydrophobicContact CB-CE2 3.42Å; C578-F580 VanDerWaalsContact CB-CE2 3.42Å; C578-F580 HydrophobicContact CB-CZ 3.48Å; C578-F580 VanDerWaalsContact CB-CZ 3.48Å; C578-F580 WeakPolarHBondContact O-CD2 3.16Å; C578-F580 PolarHBondContact O-N 3.07Å; F580-A582 PolarHBondContact O-N 2.85Å; F580-L583 HydrophobicContact CD1-CD1 4.04Å; F580-L583 PolarHBondContact O-N 2.88Å; F580-I588 HydrophobicContact CD1-CD1 3.99Å; F580-I588 HydrophobicContact CD1-CG1 4.02Å; F580-I588 HydrophobicContact CE1-CG1 4.48Å; F580-I588 HydrophobicContact CE1-CG2 4.37Å; F580-V603 HydrophobicContact CE1-CG1 3.9Å; F580-V603 HydrophobicContact CZ-CG1 4.17Å
581	T	46.5	Very low	49.9	Very low	123 Å²	123	71.7 Å²	71.7	76%	0.755	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-62.8	-13.5	-173.9	55.6	0	0	0	0	114.3	N579	N579-T581 PolarHBondContact O-N 3.29Å; N579-T581 VanDerWaalsContact O-N 3.08Å; N579-T581 WeakPolarHBondContact OD1-CG2 3.41Å; N579-T581 PolarHBondContact OD1-OG1 2.77Å
582	A	46.4	Very low	51	Low	88 Å²	88	70.5 Å²	70.5	73%	0.727	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-111.5	-2.6	-179.5	0	0	0	0	0	114.8	F580	F580-A582 PolarHBondContact O-N 2.85Å
583	L	54.9	Low	52.3	Low	26 Å²	26	71.4 Å²	71.4	14%	0.136	43%	0.43	C	S	.	.			trans	-101.3	130.8	-175.9	-68.6	164.3	0	0	0	111.1	F580 Q587 I588 T607	F580-L583 HydrophobicContact CD1-CD1 4.04Å; F580-L583 PolarHBondContact O-N 2.88Å; L583-Q587 HydrophobicContact CB-CB 4.27Å; L583-Q587 HydrophobicContact CD2-CB 3.69Å; L583-Q587 HydrophobicContact CD2-CG 4.4Å; L583-I588 HydrophobicContact CB-CD1 4.36Å; L583-I588 HydrophobicContact CB-CG1 3.74Å; L583-I588 HydrophobicContact CD1-CG1 4.4Å; L583-T607 HydrophobicContact CD1-CG2 4.2Å
584	T	66.7	Low	53.4	Low	74 Å²	74	71.7 Å²	71.7	45%	0.454	43%	0.434	S	S	.	.			trans	-67	154.4	167.6	60	0	0	0	0	110.4	A586 Q587 I588	T584-A586 PolarHBondContact O-N 2.8Å; T584-A586 VanDerWaalsContact O-N 3.09Å; T584-Q587 WeakPolarHBondContact O-CB 3.1Å; T584-Q587 PolarHBondContact O-N 2.77Å; T584-Q587 WeakPolarHBondContact OG1-CG 3.46Å; T584-Q587 PolarHBondContact OG1-N 3.01Å; T584-Q587 PolarHBondContact OG1-OE1 3.38Å; T584-Q587 VanDerWaalsContact OG1-OE1 3.04Å; T584-I588 PolarHBondContact O-N 3.06Å
585	P	59.6	Low	54.5	Low	110 Å²	110	70 Å²	70	71%	0.714	42%	0.42	S	S	*	.	H	α-helix	trans	-52.4	-34.8	177.5	-27.9	35	0	0	0	113.8	I588 D589	P585-I588 PolarHBondContact O-N 2.96Å; P585-D589 PolarHBondContact O-N 3.22Å; P585-D589 VanDerWaalsContact O-N 3.09Å
586	A	63	Low	55.5	Low	64 Å²	64	69.5 Å²	69.5	53%	0.529	42%	0.422	S	S	.	.	H	α-helix	trans	-67.2	-40.2	175.8	0	0	0	0	0	112.7	T584 I588 D589 I590	T584-A586 PolarHBondContact O-N 2.8Å; T584-A586 VanDerWaalsContact O-N 3.09Å; A586-I588 VanDerWaalsContact C-N 3.34Å; A586-D589 PolarHBondContact O-N 2.79Å; A586-I590 WeakPolarHBondContact O-CG1 3.19Å; A586-I590 PolarHBondContact O-N 3.08Å; A586-I590 VanDerWaalsContact O-N 3.11Å
587	Q	61.3	Low	56.3	Low	44 Å²	44	70.5 Å²	70.5	21%	0.206	42%	0.424	C	S	.	.	H	α-helix	trans	-68.3	-34.5	175.8	-71.6	166.7	-40.6	0	0	111.9	L583 T584 I590 C591	L583-Q587 HydrophobicContact CB-CB 4.27Å; L583-Q587 HydrophobicContact CD2-CB 3.69Å; L583-Q587 HydrophobicContact CD2-CG 4.4Å; T584-Q587 WeakPolarHBondContact O-CB 3.1Å; T584-Q587 PolarHBondContact O-N 2.77Å; T584-Q587 WeakPolarHBondContact OG1-CG 3.46Å; T584-Q587 PolarHBondContact OG1-N 3.01Å; T584-Q587 PolarHBondContact OG1-OE1 3.38Å; T584-Q587 VanDerWaalsContact OG1-OE1 3.04Å; Q587-I590 PolarHBondContact O-N 2.85Å; Q587-C591 PolarHBondContact O-N 3.47Å; Q587-C591 PolarHBondContact O-SG 3.03Å
588	I	63.2	Low	56.9	Low	27 Å²	27	70.1 Å²	70.1	14%	0.138	42%	0.419	C	S	.	.	H	α-helix	trans	-62.5	-46.7	173.3	-61.9	175.5	0	0	0	109.9	F580 L583 T584 P585 A586 I590 C591 M592	F580-I588 HydrophobicContact CD1-CD1 3.99Å; F580-I588 HydrophobicContact CD1-CG1 4.02Å; F580-I588 HydrophobicContact CE1-CG1 4.48Å; F580-I588 HydrophobicContact CE1-CG2 4.37Å; L583-I588 HydrophobicContact CB-CD1 4.36Å; L583-I588 HydrophobicContact CB-CG1 3.74Å; L583-I588 HydrophobicContact CD1-CG1 4.4Å; T584-I588 PolarHBondContact O-N 3.06Å; P585-I588 PolarHBondContact O-N 2.96Å; A586-I588 VanDerWaalsContact C-N 3.34Å; I588-I590 VanDerWaalsContact C-N 3.32Å; I588-I590 PolarHBondContact O-N 3.15Å; I588-C591 PolarHBondContact O-N 3.45Å; I588-M592 HydrophobicContact CG2-CG 4.18Å; I588-M592 WeakPolarHBondContact O-CB 3.24Å; I588-M592 WeakPolarHBondContact O-CG 3.39Å; I588-M592 PolarHBondContact O-N 3.31Å
589	D	65.1	Low	57.6	Low	74 Å²	74	74.4 Å²	74.4	40%	0.396	44%	0.439	S	S	.	.	H	α-helix	trans	-60.1	-41.4	178.4	-171.4	54.8	0	0	0	112.2	P585 A586 M592 K593	P585-D589 PolarHBondContact O-N 3.22Å; P585-D589 VanDerWaalsContact O-N 3.09Å; A586-D589 PolarHBondContact O-N 2.79Å; D589-M592 PolarHBondContact O-N 2.95Å; D589-K593 WeakPolarHBondContact O-CG 3.43Å; D589-K593 PolarHBondContact O-N 3.45Å; D589-K593 WeakPolarHBondContact OD2-CE 3.28Å; D589-K593 IonicContact OD2-NZ 2.71Å; D589-K593 PolarHBondContact OD2-NZ 2.9Å
590	I	67.5	Low	58.1	Low	98 Å²	98	69 Å²	69	50%	0.503	41%	0.411	S	S	.	.	H	α-helix	trans	-63.6	-46.8	174.8	-65.8	164.5	0	0	0	111.3	A586 Q587 I588 M592 K593 A594	A586-I590 WeakPolarHBondContact O-CG1 3.19Å; A586-I590 PolarHBondContact O-N 3.08Å; A586-I590 VanDerWaalsContact O-N 3.11Å; Q587-I590 PolarHBondContact O-N 2.85Å; I588-I590 VanDerWaalsContact C-N 3.32Å; I588-I590 PolarHBondContact O-N 3.15Å; I590-M592 VanDerWaalsContact C-N 3.28Å; I590-M592 PolarHBondContact O-N 3.27Å; I590-K593 PolarHBondContact O-N 2.68Å; I590-A594 PolarHBondContact O-N 2.94Å
591	C	59	Low	58.7	Low	1 Å²	1	71.6 Å²	71.6	1%	0.007	43%	0.434	C	S	.	.	H	α-helix	trans	-58.4	-42.8	176.6	-69.6	0	0	0	0	111.4	Q587 I588 A594 V595 V603 C606	Q587-C591 PolarHBondContact O-N 3.47Å; Q587-C591 PolarHBondContact O-SG 3.03Å; I588-C591 PolarHBondContact O-N 3.45Å; C591-A594 PolarHBondContact O-N 3.44Å; C591-V595 WeakPolarHBondContact O-CG2 3.11Å; C591-V595 PolarHBondContact O-N 2.88Å; C591-V603 HydrophobicContact CB-CG1 4.11Å; C591-C606 HydrophobicContact CB-CB 3.66Å; C591-C606 WeakPolarHBondContact SG-CB 3.31Å
592	M	61.8	Low	58.7	Low	39 Å²	39	69.3 Å²	69.3	19%	0.192	42%	0.42	C	S	.	.	H	α-helix	trans	-68.8	-39.8	-178.4	-66.6	-61.8	-89.4	0	0	111.3	W565 I588 D589 I590 A594 V595 V596 V603	W565-M592 HydrophobicContact CH2-CE 3.69Å; W565-M592 HydrophobicContact CH2-CG 4.46Å; W565-M592 HydrophobicContact CZ3-CE 3.76Å; I588-M592 HydrophobicContact CG2-CG 4.18Å; I588-M592 WeakPolarHBondContact O-CB 3.24Å; I588-M592 WeakPolarHBondContact O-CG 3.39Å; I588-M592 PolarHBondContact O-N 3.31Å; D589-M592 PolarHBondContact O-N 2.95Å; I590-M592 VanDerWaalsContact C-N 3.28Å; I590-M592 PolarHBondContact O-N 3.27Å; M592-A594 VanDerWaalsContact C-N 3.33Å; M592-A594 PolarHBondContact O-N 3.34Å; M592-V595 PolarHBondContact O-N 3.33Å; M592-V596 VanDerWaalsContact O-CG2 3.29Å; M592-V596 WeakPolarHBondContact O-CG2 3.38Å; M592-V596 PolarHBondContact O-N 3.01Å; M592-V603 HydrophobicContact SD-CG2 4.01Å
593	K	62.4	Low	58.8	Low	113 Å²	113	65.7 Å²	65.7	49%	0.491	39%	0.389	S	S	.	.	H	α-helix	trans	-59.8	-42.8	171.5	-77.9	169.6	176.2	156.9	0	111.9	D589 I590 V596 Q597	D589-K593 WeakPolarHBondContact O-CG 3.43Å; D589-K593 PolarHBondContact O-N 3.45Å; D589-K593 WeakPolarHBondContact OD2-CE 3.28Å; D589-K593 IonicContact OD2-NZ 2.71Å; D589-K593 PolarHBondContact OD2-NZ 2.9Å; I590-K593 PolarHBondContact O-N 2.68Å; K593-V596 PolarHBondContact O-N 3.3Å; K593-Q597 WeakPolarHBondContact O-CB 3.32Å; K593-Q597 VanDerWaalsContact O-CG 3.23Å; K593-Q597 WeakPolarHBondContact O-CG 3.5Å; K593-Q597 PolarHBondContact O-N 2.68Å
594	A	60.8	Low	58.5	Low	17 Å²	17	66.2 Å²	66.2	14%	0.14	40%	0.401	C	S	.	.	H	α-helix	trans	-65.6	-37.9	178.2	0	0	0	0	0	112.9	I590 C591 M592 G598 I599 C600	I590-A594 PolarHBondContact O-N 2.94Å; C591-A594 PolarHBondContact O-N 3.44Å; M592-A594 VanDerWaalsContact C-N 3.33Å; M592-A594 PolarHBondContact O-N 3.34Å; A594-G598 PolarHBondContact O-N 3.18Å; A594-I599 HydrophobicContact CB-CB 4.4Å; A594-I599 WeakPolarHBondContact O-CB 3.48Å; A594-I599 PolarHBondContact O-N 3.42Å; A594-C600 PolarHBondContact O-N 2.86Å
595	V	63.8	Low	57.5	Low	47 Å²	47	67.4 Å²	67.4	29%	0.285	40%	0.401	S	S	.	.	H	α-helix	trans	-69.7	-42.9	175.4	172.1	0	0	0	0	111.6	C591 M592 Q597 G598 C600 V603	C591-V595 WeakPolarHBondContact O-CG2 3.11Å; C591-V595 PolarHBondContact O-N 2.88Å; M592-V595 PolarHBondContact O-N 3.33Å; V595-Q597 VanDerWaalsContact C-N 3.27Å; V595-Q597 PolarHBondContact O-N 3.36Å; V595-G598 PolarHBondContact O-N 3.1Å; V595-C600 HydrophobicContact CG2-CB 4.23Å; V595-V603 HydrophobicContact CG2-CB 4.47Å; V595-V603 HydrophobicContact CG2-CG2 3.72Å
596	V	59.7	Low	56.7	Low	130 Å²	130	62.3 Å²	62.3	79%	0.788	37%	0.368	S	S	*	.	H	α-helix	trans	-64.4	-33.8	176.6	172.3	0	0	0	0	111.7	M592 K593 G598	M592-V596 VanDerWaalsContact O-CG2 3.29Å; M592-V596 WeakPolarHBondContact O-CG2 3.38Å; M592-V596 PolarHBondContact O-N 3.01Å; K593-V596 PolarHBondContact O-N 3.3Å; V596-G598 PolarHBondContact O-N 3.44Å
597	Q	55.8	Low	55.8	Low	141 Å²	141	62 Å²	62	66%	0.659	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-3	174.4	-71.2	175.5	-12.5	0	0	113.5	K593 V595 I599	K593-Q597 WeakPolarHBondContact O-CB 3.32Å; K593-Q597 VanDerWaalsContact O-CG 3.23Å; K593-Q597 WeakPolarHBondContact O-CG 3.5Å; K593-Q597 PolarHBondContact O-N 2.68Å; V595-Q597 VanDerWaalsContact C-N 3.27Å; V595-Q597 PolarHBondContact O-N 3.36Å; Q597-I599 HydrophobicContact CB-CD1 3.87Å; Q597-I599 HydrophobicContact CB-CG1 3.87Å; Q597-I599 PolarHBondContact O-N 3.14Å; Q597-I599 VanDerWaalsContact OE1-CD1 3.25Å
598	G	51.3	Low	54.8	Low	63 Å²	63	64.6 Å²	64.6	65%	0.649	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	11.4	-178.5	0	0	0	0	0	114.4	A594 V595 V596 C600	A594-G598 PolarHBondContact O-N 3.18Å; V595-G598 PolarHBondContact O-N 3.1Å; V596-G598 PolarHBondContact O-N 3.44Å; G598-C600 VanDerWaalsContact C-N 3.32Å
599	I	55.8	Low	53.5	Low	117 Å²	117	72.1 Å²	72.1	60%	0.6	41%	0.407	S	S	*	.	S	Bend	trans	-72.1	-31.2	-179.8	-57.2	172.9	0	0	0	110.5	A594 Q597	A594-I599 HydrophobicContact CB-CB 4.4Å; A594-I599 WeakPolarHBondContact O-CB 3.48Å; A594-I599 PolarHBondContact O-N 3.42Å; Q597-I599 HydrophobicContact CB-CD1 3.87Å; Q597-I599 HydrophobicContact CB-CG1 3.87Å; Q597-I599 PolarHBondContact O-N 3.14Å; Q597-I599 VanDerWaalsContact OE1-CD1 3.25Å
600	C	51.2	Low	52.2	Low	13 Å²	13	70 Å²	70	9%	0.088	40%	0.397	C	S	.	.			trans	-124.8	131.7	174.4	-74.2	0	0	0	0	109.7	A594 V595 G598 T602 Q605 C606	A594-C600 PolarHBondContact O-N 2.86Å; V595-C600 HydrophobicContact CG2-CB 4.23Å; G598-C600 VanDerWaalsContact C-N 3.32Å; C600-T602 VanDerWaalsContact C-N 3.25Å; C600-T602 PolarHBondContact O-N 2.95Å; C600-Q605 HydrophobicContact CB-CB 4.36Å; C600-C606 WeakPolarHBondContact CB-SG 3.22Å; C600-C606 PolarHBondContact SG-SG 2.92Å
601	S	56.9	Low	50.4	Low	95 Å²	95	71 Å²	71	66%	0.664	40%	0.403	S	S	*	.	S	Bend	trans	-71.2	-25	178.4	59.5	0	0	0	0	112.5	Q605	S601-Q605 PolarHBondContact OG-OE1 3Å
602	T	46.9	Very low	49	Very low	75 Å²	75	75.8 Å²	75.8	46%	0.46	43%	0.432	S	S	.	.	S	Bend	trans	-145.3	146.3	179	55.4	0	0	0	0	109.7	C600 G604 Q605	C600-T602 VanDerWaalsContact C-N 3.25Å; C600-T602 PolarHBondContact O-N 2.95Å; T602-G604 PolarHBondContact O-N 3.44Å; T602-G604 VanDerWaalsContact O-N 3.14Å; T602-Q605 PolarHBondContact O-N 3.39Å
603	V	48.9	Very low	47.4	Very low	12 Å²	12	80.7 Å²	80.7	7%	0.073	46%	0.459	C	S	.	.	H	α-helix	trans	-58.4	-26.7	175.1	175.9	0	0	0	0	111.1	C578 F580 C591 M592 V595 Q605 C606	C578-V603 HydrophobicContact CB-CG1 4.41Å; C578-V603 VanDerWaalsContact SG-CB 3.59Å; F580-V603 HydrophobicContact CE1-CG1 3.9Å; F580-V603 HydrophobicContact CZ-CG1 4.17Å; C591-V603 HydrophobicContact CB-CG1 4.11Å; M592-V603 HydrophobicContact SD-CG2 4.01Å; V595-V603 HydrophobicContact CG2-CB 4.47Å; V595-V603 HydrophobicContact CG2-CG2 3.72Å; V603-Q605 VanDerWaalsContact C-N 3.26Å; V603-Q605 PolarHBondContact O-N 2.68Å; V603-C606 WeakPolarHBondContact O-CB 2.93Å; V603-C606 PolarHBondContact O-N 3.21Å
604	G	48.2	Very low	45.7	Very low	37 Å²	37	81.6 Å²	81.6	38%	0.381	47%	0.469	S	S	.	.	H	α-helix	trans	-54.3	-39.3	172.1	0	0	0	0	0	113.3	T602 C606 T607	T602-G604 PolarHBondContact O-N 3.44Å; T602-G604 VanDerWaalsContact O-N 3.14Å; G604-C606 VanDerWaalsContact C-N 3.31Å; G604-C606 PolarHBondContact O-N 3.5Å; G604-T607 PolarHBondContact O-N 3.46Å; G604-T607 PolarHBondContact O-OG1 3.06Å
605	Q	46	Very low	44.1	Very low	98 Å²	98	88.1 Å²	88.1	46%	0.458	50%	0.502	S	S	.	.	H	α-helix	trans	-71.7	-22.3	176.7	-68.9	-172	-20.5	0	0	113.5	C600 S601 T602 V603 T607 T608	C600-Q605 HydrophobicContact CB-CB 4.36Å; S601-Q605 PolarHBondContact OG-OE1 3Å; T602-Q605 PolarHBondContact O-N 3.39Å; V603-Q605 VanDerWaalsContact C-N 3.26Å; V603-Q605 PolarHBondContact O-N 2.68Å; Q605-T607 VanDerWaalsContact C-N 3.3Å; Q605-T607 PolarHBondContact O-N 2.95Å; Q605-T608 PolarHBondContact O-OG1 3.4Å
606	C	41.4	Very low	42.1	Very low	3 Å²	3	93.8 Å²	93.8	2%	0.02	53%	0.531	C	S	.	.	H	α-helix	trans	-72.7	-23.3	175.3	-61.5	0	0	0	0	112.8	C591 C600 V603 G604 T608 Y609 T610	C591-C606 HydrophobicContact CB-CB 3.66Å; C591-C606 WeakPolarHBondContact SG-CB 3.31Å; C600-C606 WeakPolarHBondContact CB-SG 3.22Å; C600-C606 PolarHBondContact SG-SG 2.92Å; V603-C606 WeakPolarHBondContact O-CB 2.93Å; V603-C606 PolarHBondContact O-N 3.21Å; G604-C606 VanDerWaalsContact C-N 3.31Å; G604-C606 PolarHBondContact O-N 3.5Å; C606-T608 VanDerWaalsContact C-N 3.26Å; C606-T608 PolarHBondContact O-N 3.37Å; C606-Y609 PolarHBondContact O-N 3.28Å; C606-Y609 VanDerWaalsContact O-N 3.08Å; C606-T610 PolarHBondContact O-N 2.93Å; C606-T610 VanDerWaalsContact O-N 3.12Å; C606-T610 PolarHBondContact O-OG1 3.25Å; C606-T610 VanDerWaalsContact O-OG1 3.06Å
607	T	44.3	Very low	40.6	Very low	59 Å²	59	92 Å²	92	36%	0.362	52%	0.524	S	S	.	.	H	α-helix	trans	-63.9	-34.1	177	63	0	0	0	0	111.9	L583 G604 Q605	L583-T607 HydrophobicContact CD1-CG2 4.2Å; G604-T607 PolarHBondContact O-N 3.46Å; G604-T607 PolarHBondContact O-OG1 3.06Å; Q605-T607 VanDerWaalsContact C-N 3.3Å; Q605-T607 PolarHBondContact O-N 2.95Å
608	T	40.3	Very low	39	Very low	98 Å²	98	92.9 Å²	92.9	60%	0.601	53%	0.533	S	S	*	.	H	α-helix	trans	-71	-30	172.6	29.5	0	0	0	0	113.2	Q605 C606 T612	Q605-T608 PolarHBondContact O-OG1 3.4Å; C606-T608 VanDerWaalsContact C-N 3.26Å; C606-T608 PolarHBondContact O-N 3.37Å; T608-T612 WeakPolarHBondContact O-CG2 3.45Å
609	Y	36.9	Very low	37.7	Very low	184 Å²	184	95.4 Å²	95.4	72%	0.722	54%	0.541	S	S	*	.	H	α-helix	trans	-80.8	-24.4	-177.9	-128.8	-85.3	0	0	0	113.7	C606 T612	C606-Y609 PolarHBondContact O-N 3.28Å; C606-Y609 VanDerWaalsContact O-N 3.08Å; Y609-T612 PolarHBondContact O-OG1 3.24Å
610	T	36.6	Very low	36	Very low	31 Å²	31	95.4 Å²	95.4	19%	0.19	55%	0.551	C	S	.	*	H	α-helix	trans	-91.7	-19.5	-177.4	49.1	0	0	0	0	113.6	C606	C606-T610 PolarHBondContact O-N 2.93Å; C606-T610 VanDerWaalsContact O-N 3.12Å; C606-T610 PolarHBondContact O-OG1 3.25Å; C606-T610 VanDerWaalsContact O-OG1 3.06Å
611	N	30.8	Very low	34.7	Very low	117 Å²	117	100.1 Å²	100.1	63%	0.626	59%	0.585	S	S	*	*	S	Bend	trans	-88.3	-7.6	177.7	-85.1	-14.2	0	0	0	114.7	N613	N611-N613 VanDerWaalsContact C-N 3.33Å; N611-N613 PolarHBondContact O-N 2.97Å
612	T	29.6	Very low	33.1	Very low	103 Å²	103	100.9 Å²	100.9	63%	0.632	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	-7.4	-177.7	47.5	0	0	0	0	114.8	T608 Y609	T608-T612 WeakPolarHBondContact O-CG2 3.45Å; Y609-T612 PolarHBondContact O-OG1 3.24Å
613	N	28.1	Very low	31.9	Very low	141 Å²	141	102 Å²	102	75%	0.754	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	4.8	-176.2	-78.9	3.1	0	0	0	115.4	N611	N611-N613 VanDerWaalsContact C-N 3.33Å; N611-N613 PolarHBondContact O-N 2.97Å
614	N	26.8	Very low	30.7	Very low	132 Å²	132	108.8 Å²	108.8	71%	0.706	64%	0.637	S	S	*	*	S	Bend	trans	-136.1	86.6	175	-73.8	-35.6	0	0	0	109.5
615	N	27	Very low	29.6	Very low	154 Å²	154	114 Å²	114	82%	0.824	66%	0.656	S	S	*	*			trans	162.6	75.5	138.3	-77.5	-21.2	0	0	0	110	S617	N615-S617 VanDerWaalsContact C-N 3.34Å; N615-S617 PolarHBondContact O-N 3.48Å
616	D	22.3	Very low	28.5	Very low	166 Å²	166	116.8 Å²	116.8	89%	0.888	67%	0.674	S	S	*	*			trans	-65.6	99.8	143.7	-78.1	-39.4	0	0	0	107.3
617	S	26.5	Very low	27.6	Very low	94 Å²	94	122.7 Å²	122.7	66%	0.657	71%	0.71	S	S	*	*			trans	166.7	118.4	140.2	39.4	0	0	0	0	112.1	N615	N615-S617 VanDerWaalsContact C-N 3.34Å; N615-S617 PolarHBondContact O-N 3.48Å
618	N	23	Very low	26.5	Very low	158 Å²	158	124.9 Å²	124.9	85%	0.845	73%	0.727	S	S	*	*			trans	50.6	95	146	-63.2	-18.8	0	0	0	118.5
619	S	23.7	Very low	25.7	Very low	117 Å²	117	125.1 Å²	125.1	82%	0.818	73%	0.733	S	S	*	*				-172.3	110.8	116	35.9	0	0	0	0	110.5	S621	S619-S621 PolarHBondContact O-N 3.29Å
620	S	21.6	Very low	24.9	Very low	116 Å²	116	127 Å²	127	81%	0.811	74%	0.74	S	S	*	*			trans	-53.1	125.1	156.3	48.4	0	0	0	0	110.6
621	S	22.8	Very low	24.2	Very low	113 Å²	113	136.9 Å²	136.9	79%	0.79	77%	0.774	S	S	*	*				176.1	130.8	129	34	0	0	0	0	112.9	S619	S619-S621 PolarHBondContact O-N 3.29Å
622	S	23	Very low	23.9	Very low	110 Å²	110	137.1 Å²	137.1	77%	0.769	78%	0.78	S	S	*	*			trans	60.2	98.7	151	-66.4	0	0	0	0	119.8
623	S	23	Very low	23.6	Very low	98 Å²	98	140 Å²	140	69%	0.685	79%	0.792	S	S	*	*				-14	126.4	129.8	55.7	0	0	0	0	115.4
624	N	23.5	Very low	23.3	Very low	155 Å²	155	141.9 Å²	141.9	83%	0.829	80%	0.796	S	S	*	*			trans	-144.3	95.9	137.8	-93.8	-23.2	0	0	0	108.2	N626	N624-N626 PolarHBondContact O-N 3.08Å
625	N	24	Very low	23.3	Very low	147 Å²	147	144.7 Å²	144.7	79%	0.786	81%	0.805	S	S	*	*			trans	-63.7	107.2	163.4	-74.1	-28.1	0	0	0	108.1
626	N	22.6	Very low	23.2	Very low	156 Å²	156	141.7 Å²	141.7	83%	0.834	80%	0.796	S	S	*	*			trans	-110.3	78.3	157.5	-85.2	-19	0	0	0	107.6	N624 S628	N624-N626 PolarHBondContact O-N 3.08Å; N626-S628 PolarHBondContact O-N 3.47Å
627	V	22.7	Very low	23.3	Very low	128 Å²	128	141 Å²	141	78%	0.776	79%	0.792	S	S	*	*			trans	-63.3	114	159.4	172.6	0	0	0	0	106.1	S629	V627-S629 PolarHBondContact O-N 3.33Å; V627-S629 VanDerWaalsContact O-N 3.16Å
628	S	22.6	Very low	23.3	Very low	105 Å²	105	145.6 Å²	145.6	73%	0.734	80%	0.803	S	S	*	*			trans	-58.1	119.1	174.5	-156.3	0	0	0	0	108.8	N626 Y630	N626-S628 PolarHBondContact O-N 3.47Å; S628-Y630 PolarHBondContact O-N 3.26Å
629	S	22.4	Very low	23.3	Very low	103 Å²	103	143 Å²	143	72%	0.72	80%	0.798	S	S	*	*			trans	-59.3	115.8	-176.8	49.5	0	0	0	0	111.9	V627 R631	V627-S629 PolarHBondContact O-N 3.33Å; V627-S629 VanDerWaalsContact O-N 3.16Å; S629-R631 PolarHBondContact O-N 3.01Å
630	Y	20.2	Very low	23.6	Very low	222 Å²	222	144.6 Å²	144.6	87%	0.871	80%	0.797	S	S	*	*			trans	-65	114.5	155.9	-86.4	-93.7	0	0	0	108.3	S628 T632	S628-Y630 PolarHBondContact O-N 3.26Å; Y630-T632 PolarHBondContact O-N 3.41Å
631	R	21.2	Very low	23.9	Very low	240 Å²	240	147.6 Å²	147.6	91%	0.906	80%	0.798	S	S	*	*			trans	-77.1	102.9	170.3	-127.5	178.7	-171	165.2	1.7	107.6	S629	S629-R631 PolarHBondContact O-N 3.01Å
632	T	24.3	Very low	24	Very low	121 Å²	121	147.6 Å²	147.6	74%	0.742	79%	0.793	S	S	*	*			trans	-76.6	119.3	167.4	36	0	0	0	0	108.8	Y630 Q634	Y630-T632 PolarHBondContact O-N 3.41Å; T632-Q634 PolarHBondContact O-N 3.32Å
633	N	23.9	Very low	24.3	Very low	165 Å²	165	148.2 Å²	148.2	88%	0.882	79%	0.794	S	S	*	*			trans	-71	114.2	164.6	-80	-18.5	0	0	0	108
634	Q	22.9	Very low	24.4	Very low	179 Å²	179	149.1 Å²	149.1	84%	0.836	80%	0.796	S	S	*	*			trans	-82.9	138.7	164.2	-76.5	176.7	-29.6	0	0	109.3	T632	T632-Q634 PolarHBondContact O-N 3.32Å
635	E	25.6	Very low	24.5	Very low	191 Å²	191	149.1 Å²	149.1	89%	0.893	80%	0.796	S	S	*	*			trans	153.5	134.1	154.9	-91.4	170.6	-166.4	0	0	105.4
636	S	25	Very low	24.5	Very low	91 Å²	91	147 Å²	147	64%	0.636	79%	0.793	S	S	*	*			cis	-180	141.6	-12.5	44	0	0	0	0	104.1
637	N	24.1	Very low	24.7	Very low	152 Å²	152	150.2 Å²	150.2	81%	0.813	80%	0.795	S	S	*	*			trans	59.7	111.1	155.5	-57.8	-19.7	0	0	0	119.1
638	E	28	Very low	25	Very low	190 Å²	190	152.3 Å²	152.3	89%	0.888	80%	0.796	S	S	*	*				179.1	127.1	97.6	-95.5	178.6	173.9	0	0	110.4
639	S	23	Very low	25.1	Very low	104 Å²	104	155.2 Å²	155.2	73%	0.727	80%	0.802	S	S	*	*			trans	-60.1	137.4	170	50.2	0	0	0	0	111.6
640	N	28.1	Very low	25.4	Very low	150 Å²	150	156.4 Å²	156.4	80%	0.802	80%	0.804	S	S	*	*			trans	-163.5	115.6	140.4	-90.6	-35.5	0	0	0	112.1
641	H	28.3	Very low	25.7	Very low	179 Å²	179	152.4 Å²	152.4	83%	0.829	80%	0.798	S	S	*	*			trans	52.8	108.7	148.2	-90.3	-71	0	0	0	122.2
642	V	25.9	Very low	25.9	Very low	114 Å²	114	148.3 Å²	148.3	69%	0.691	79%	0.789	S	S	*	*			trans	-74.7	142.9	152	174.4	0	0	0	0	109.7	T644	V642-T644 HydrophobicContact CG1-CG2 4.11Å
643	P	28	Very low	26.2	Very low	122 Å²	122	149 Å²	149	79%	0.792	79%	0.794	S	S	*	*				-127.4	128.5	125.8	9.6	11.6	0	0	0	111.6
644	T	26	Very low	26.2	Very low	118 Å²	118	147.8 Å²	147.8	72%	0.724	78%	0.783	S	S	*	*			trans	-71	125.6	168.5	32.9	0	0	0	0	111.3	V642	V642-T644 HydrophobicContact CG1-CG2 4.11Å
645	D	26.2	Very low	26.4	Very low	154 Å²	154	151 Å²	151	82%	0.824	79%	0.787	S	S	*	*			trans	-115.4	103.7	156.8	-83.1	-32.1	0	0	0	109.4
646	S	23.9	Very low	26.5	Very low	104 Å²	104	150.5 Å²	150.5	73%	0.727	78%	0.782	S	S	*	*			trans	-84.6	112.6	170.6	50.2	0	0	0	0	109.3
647	Y	27.1	Very low	26.5	Very low	223 Å²	223	154 Å²	154	88%	0.875	79%	0.793	S	S	*	*			trans	-109.1	122.6	162.5	-97	-89.8	0	0	0	110.3
648	Q	27.6	Very low	26.6	Very low	171 Å²	171	152.7 Å²	152.7	80%	0.799	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-73.1	138.1	-171	-67.1	175.7	-20.8	0	0	111.5
649	I	25.5	Very low	26.4	Very low	167 Å²	167	151.4 Å²	151.4	86%	0.856	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-74.3	120.1	166.3	-65.6	165.4	0	0	0	106.9
650	T	29.1	Very low	26.7	Very low	127 Å²	127	155.7 Å²	155.7	78%	0.779	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-98	137.6	175.1	50	0	0	0	0	111.4
651	D	25.1	Very low	26.7	Very low	138 Å²	138	155.8 Å²	155.8	74%	0.738	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-59.4	153.9	-173.1	-73.8	-48.2	0	0	0	117.9
652	E	27	Very low	26.4	Very low	154 Å²	154	155.2 Å²	155.2	72%	0.72	80%	0.8	S	S	*	*			trans	52.2	104.8	135.3	-63.4	-177.2	172.2	0	0	120.1
653	T	29.3	Very low	26.4	Very low	136 Å²	136	154.6 Å²	154.6	83%	0.834	80%	0.801	S	S	*	*			trans	-123.9	98.2	144.9	39.3	0	0	0	0	110.3
654	Q	25.1	Very low	26.5	Very low	139 Å²	139	155.9 Å²	155.9	65%	0.65	80%	0.801	S	S	*	*			trans	-64.1	129.8	167.5	-63.7	177.8	-7.3	0	0	110.7
655	W	26.8	Very low	26.5	Very low	247 Å²	247	159.1 Å²	159.1	94%	0.936	81%	0.805	S	S	*	*			trans	-130.3	120.6	154.1	-81.7	75.5	0	0	0	110
656	K	26.9	Very low	26.4	Very low	181 Å²	181	156.4 Å²	156.4	79%	0.787	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-80.6	139.3	-163.7	-70.6	171.7	173.6	173.8	0	112.7
657	L	25.1	Very low	26.7	Very low	163 Å²	163	160.7 Å²	160.7	85%	0.853	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-68.8	149.7	162	-100.1	84.2	0	0	0	111.7
658	P	26	Very low	26.6	Very low	125 Å²	125	156.3 Å²	156.3	81%	0.812	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-82.5	123.5	173.8	30.7	-29.5	0	0	0	112.4
659	N	23.4	Very low	26.7	Very low	163 Å²	163	154.7 Å²	154.7	87%	0.872	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-65.1	129.5	164.7	-82.7	-30.3	0	0	0	111.3
660	K	30.2	Very low	26.6	Very low	194 Å²	194	153.5 Å²	153.5	84%	0.843	80%	0.796	S	S	*	*			trans	-141.6	116.3	153.3	-89.6	-172.6	178.8	175	0	112
661	N	27.5	Very low	26.3	Very low	153 Å²	153	157 Å²	157	82%	0.818	80%	0.795	S	S	*	*			trans	70.4	103.7	145.1	-61.9	-13.1	0	0	0	120.6
662	L	22.2	Very low	26.4	Very low	166 Å²	166	157.1 Å²	157.1	87%	0.869	80%	0.801	S	S	*	*			trans	-58.4	167.7	147.9	-81.6	104.3	0	0	0	113
663	S	25.4	Very low	26.2	Very low	101 Å²	101	158.1 Å²	158.1	71%	0.706	81%	0.811	S	S	*	*			trans	88.2	99.1	156.4	76.6	0	0	0	0	117.2
664	D	31	Very low	26	Very low	149 Å²	149	158.3 Å²	158.3	80%	0.797	81%	0.812	S	S	*	*				-162.6	117.2	113.3	-89.6	-26.2	0	0	0	112.8
665	F	25.2	Very low	25.9	Very low	186 Å²	186	156.9 Å²	156.9	82%	0.816	82%	0.817	S	S	*	*			trans	37	123.4	138.2	-84.6	-90.7	0	0	0	124.3
666	S	25.2	Very low	25.8	Very low	97 Å²	97	150.5 Å²	150.5	68%	0.678	81%	0.81	S	S	*	*			trans	58	107	133.5	65.5	0	0	0	0	120.4
667	E	29.2	Very low	25.8	Very low	195 Å²	195	150 Å²	150	91%	0.911	81%	0.81	S	S	*	*				-172.4	127.8	105	-101.8	175.2	179.9	0	0	110.6
668	T	25.8	Very low	25.9	Very low	130 Å²	130	145.8 Å²	145.8	80%	0.798	80%	0.799	S	S	*	*			trans	-84.8	125.5	170.5	43.2	0	0	0	0	109.1
669	T	29.1	Very low	26	Very low	138 Å²	138	146.8 Å²	146.8	85%	0.847	80%	0.798	S	S	*	*			trans	-179	110.9	133.4	23.5	0	0	0	0	111.8
670	E	24	Very low	26.1	Very low	141 Å²	141	145.5 Å²	145.5	66%	0.659	79%	0.791	S	S	*	*			trans	13.8	130.2	142.1	-69.4	-163.5	126.3	0	0	121.8
671	R	23.5	Very low	25.8	Very low	201 Å²	201	144.6 Å²	144.6	76%	0.758	79%	0.792	S	S	*	*			trans	72.7	106.9	135.2	-64.8	169.6	-161.5	-163.4	8.4	117.5
672	T	26	Very low	25.7	Very low	140 Å²	140	143 Å²	143	86%	0.859	79%	0.787	S	S	*	*				-171.3	107.3	99.5	28.7	0	0	0	0	109.6	T674	T672-T674 PolarHBondContact O-N 3.49Å
673	L	22.4	Very low	25.9	Very low	176 Å²	176	139.5 Å²	139.5	92%	0.921	78%	0.782	S	S	*	*			trans	-69.4	108.8	163.6	-75.3	154.2	0	0	0	108
674	T	25	Very low	25.9	Very low	139 Å²	139	141.2 Å²	141.2	85%	0.853	78%	0.782	S	S	*	*			trans	-178.4	76	145.6	48.6	0	0	0	0	107.6	T672	T672-T674 PolarHBondContact O-N 3.49Å
675	S	24.7	Very low	25.8	Very low	109 Å²	109	139.5 Å²	139.5	76%	0.762	77%	0.773	S	S	*	*			trans	-123.1	100.5	164	173.9	0	0	0	0	105.7	H677	S675-H677 PolarHBondContact O-N 3.33Å; S675-H677 VanDerWaalsContact O-N 3.15Å
676	S	24.3	Very low	25.9	Very low	113 Å²	113	138 Å²	138	79%	0.79	77%	0.772	S	S	*	*			trans	-53.6	115.2	172.7	47.9	0	0	0	0	108.6	A678	S676-A678 PolarHBondContact O-N 2.96Å
677	H	26.5	Very low	26.1	Very low	170 Å²	170	137.6 Å²	137.6	79%	0.787	77%	0.77	S	S	*	*			trans	-46.3	105.1	168.8	-88.7	-94.2	0	0	0	109.6	S675 N679	S675-H677 PolarHBondContact O-N 3.33Å; S675-H677 VanDerWaalsContact O-N 3.15Å; H677-N679 PolarHBondContact O-N 3.36Å
678	A	27.2	Very low	26.1	Very low	76 Å²	76	133 Å²	133	63%	0.628	76%	0.759	S	S	*	*			trans	-69	119.8	162	0	0	0	0	0	107.3	S676 D680	S676-A678 PolarHBondContact O-N 2.96Å; A678-D680 PolarHBondContact O-N 3.05Å; A678-D680 VanDerWaalsContact O-N 3.13Å
679	N	28.2	Very low	26.3	Very low	146 Å²	146	136.8 Å²	136.8	78%	0.781	76%	0.759	S	S	*	*			trans	46.4	55.4	141.2	-56.7	-20	0	0	0	117.1	H677 M681	H677-N679 PolarHBondContact O-N 3.36Å; N679-M681 PolarHBondContact O-N 2.83Å
680	D	25.9	Very low	26.5	Very low	135 Å²	135	134.4 Å²	134.4	72%	0.722	75%	0.745	S	S	*	*			trans	-78	78.6	148.5	-77.2	-30.8	0	0	0	107.1	A678 V682	A678-D680 PolarHBondContact O-N 3.05Å; A678-D680 VanDerWaalsContact O-N 3.13Å; D680-V682 PolarHBondContact O-N 3.17Å
681	M	23.9	Very low	26.9	Very low	176 Å²	176	135.3 Å²	135.3	87%	0.867	75%	0.75	S	S	*	*			trans	-61.6	95.7	158.1	-82.1	-158.5	174	0	0	106.3	N679 A683	N679-M681 PolarHBondContact O-N 2.83Å; M681-A683 VanDerWaalsContact C-N 3.26Å; M681-A683 PolarHBondContact O-N 3.25Å
682	V	26.1	Very low	27.3	Very low	120 Å²	120	129.2 Å²	129.2	73%	0.727	74%	0.738	S	S	*	*			trans	-57.3	101.9	160.4	177.7	0	0	0	0	105.1	D680 I684	D680-V682 PolarHBondContact O-N 3.17Å; V682-I684 HydrophobicContact CG1-CG1 4.45Å; V682-I684 PolarHBondContact O-N 3.24Å
683	A	25.7	Very low	27.5	Very low	92 Å²	92	125 Å²	125	76%	0.76	72%	0.717	S	S	*	*			trans	-58.8	95.7	165.4	0	0	0	0	0	105.6	M681 D685	M681-A683 VanDerWaalsContact C-N 3.26Å; M681-A683 PolarHBondContact O-N 3.25Å; A683-D685 VanDerWaalsContact C-N 3.3Å; A683-D685 PolarHBondContact O-N 3.41Å
684	I	24.4	Very low	27.9	Very low	137 Å²	137	119.7 Å²	119.7	70%	0.703	70%	0.695	S	S	*	*			trans	-64.7	103.8	169.7	-63.3	173.2	0	0	0	104.1	V682 L686	V682-I684 HydrophobicContact CG1-CG1 4.45Å; V682-I684 PolarHBondContact O-N 3.24Å; I684-L686 PolarHBondContact O-N 3.36Å
685	D	28.9	Very low	28.2	Very low	113 Å²	113	118.2 Å²	118.2	60%	0.604	68%	0.681	S	S	*	*			trans	-56.9	104.4	176.8	-176.1	13.6	0	0	0	108.4	A683 S687	A683-D685 VanDerWaalsContact C-N 3.3Å; A683-D685 PolarHBondContact O-N 3.41Å; D685-S687 PolarHBondContact O-N 3.47Å; D685-S687 VanDerWaalsContact OD1-CB 3.24Å; D685-S687 WeakPolarHBondContact OD1-CB 3.34Å; D685-S687 PolarHBondContact OD1-N 3Å; D685-S687 PolarHBondContact OD1-OG 3.03Å; D685-S687 WeakPolarHBondContact OD2-CB 3.42Å; D685-S687 PolarHBondContact OD2-OG 3.32Å
686	L	27.8	Very low	28.4	Very low	153 Å²	153	119.6 Å²	119.6	80%	0.801	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	8.6	177.8	-71.1	168	0	0	0	112	I684 S688 R689	I684-L686 PolarHBondContact O-N 3.36Å; L686-S688 PolarHBondContact O-N 3.37Å; L686-R689 PolarHBondContact O-N 3.23Å
687	S	28.5	Very low	28.8	Very low	90 Å²	90	120.4 Å²	120.4	63%	0.629	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-16.8	171.9	69.9	0	0	0	0	113.3	D685 R689	D685-S687 PolarHBondContact O-N 3.47Å; D685-S687 VanDerWaalsContact OD1-CB 3.24Å; D685-S687 WeakPolarHBondContact OD1-CB 3.34Å; D685-S687 PolarHBondContact OD1-N 3Å; D685-S687 PolarHBondContact OD1-OG 3.03Å; D685-S687 WeakPolarHBondContact OD2-CB 3.42Å; D685-S687 PolarHBondContact OD2-OG 3.32Å; S687-R689 VanDerWaalsContact C-N 3.26Å; S687-R689 PolarHBondContact O-N 3.45Å
688	S	31	Very low	29.1	Very low	97 Å²	97	119.6 Å²	119.6	68%	0.678	67%	0.668	S	S	*	*			trans	-88.9	48	172.2	61.9	0	0	0	0	113	L686 P690	L686-S688 PolarHBondContact O-N 3.37Å; S688-P690 WeakPolarHBondContact O-CD 3.48Å
689	R	29.1	Very low	29.3	Very low	210 Å²	210	120.9 Å²	120.9	79%	0.792	67%	0.673	S	S	*	*			trans	-60.5	120.6	168.8	-156.7	176.2	-168.7	-179.9	2.2	107.6	L686 S687 Q691	L686-R689 PolarHBondContact O-N 3.23Å; S687-R689 VanDerWaalsContact C-N 3.26Å; S687-R689 PolarHBondContact O-N 3.45Å; R689-Q691 PolarHBondContact O-N 3.3Å
690	P	32.9	Very low	29.5	Very low	88 Å²	88	125.2 Å²	125.2	57%	0.571	69%	0.685	S	S	*	*			trans	-61.6	117.1	-176.7	22.2	-30.5	0	0	0	108.6	S688 S692 A693	S688-P690 WeakPolarHBondContact O-CD 3.48Å; P690-S692 PolarHBondContact O-N 3.43Å; P690-A693 PolarHBondContact O-N 3.13Å
691	Q	32.9	Very low	29.7	Very low	160 Å²	160	124.7 Å²	124.7	75%	0.748	68%	0.683	S	S	*	*	H	α-helix	trans	-54	-16.8	-176.2	-75.7	174.7	-20	0	0	113.3	R689 A693 S694 L695	R689-Q691 PolarHBondContact O-N 3.3Å; Q691-A693 PolarHBondContact O-N 3.48Å; Q691-S694 PolarHBondContact O-N 3.22Å; Q691-L695 WeakPolarHBondContact O-CB 3.44Å; Q691-L695 VanDerWaalsContact O-CG 3.28Å; Q691-L695 WeakPolarHBondContact O-CG 3.45Å; Q691-L695 PolarHBondContact O-N 3.31Å
692	S	31.9	Very low	30	Very low	74 Å²	74	122 Å²	122	52%	0.517	67%	0.673	S	S	.	*	H	α-helix	trans	-64.8	-35.8	-179.7	57.5	0	0	0	0	114.1	P690 M696	P690-S692 PolarHBondContact O-N 3.43Å; S692-M696 PolarHBondContact O-N 3.48Å; S692-M696 VanDerWaalsContact O-N 3.1Å
693	A	29.6	Very low	30.2	Very low	50 Å²	50	122.1 Å²	122.1	41%	0.413	67%	0.67	S	S	.	*	H	α-helix	trans	-77	-35.7	-179.4	0	0	0	0	0	112.2	P690 Q691 M696 I697	P690-A693 PolarHBondContact O-N 3.13Å; Q691-A693 PolarHBondContact O-N 3.48Å; A693-M696 PolarHBondContact O-N 3.29Å; A693-I697 WeakPolarHBondContact O-CG1 3.31Å; A693-I697 PolarHBondContact O-N 3.22Å
694	S	31.5	Very low	30.5	Very low	66 Å²	66	123.9 Å²	123.9	46%	0.462	67%	0.665	S	S	.	*	H	α-helix	trans	-68.4	-40.5	175.2	-150.6	0	0	0	0	110.9	Q691 M696 I697 E698	Q691-S694 PolarHBondContact O-N 3.22Å; S694-M696 VanDerWaalsContact C-N 3.32Å; S694-M696 PolarHBondContact O-N 3.41Å; S694-I697 PolarHBondContact O-N 3.34Å; S694-E698 PolarHBondContact O-N 2.93Å
695	L	31.3	Very low	30.8	Very low	108 Å²	108	123.1 Å²	123.1	57%	0.565	66%	0.663	S	S	*	*	H	α-helix	trans	-65.4	-32.8	175.1	-72.8	169.9	0	0	0	112.8	Q691 S699	Q691-L695 WeakPolarHBondContact O-CB 3.44Å; Q691-L695 VanDerWaalsContact O-CG 3.28Å; Q691-L695 WeakPolarHBondContact O-CG 3.45Å; Q691-L695 PolarHBondContact O-N 3.31Å; L695-S699 WeakPolarHBondContact O-CB 3.45Å; L695-S699 PolarHBondContact O-N 3.2Å
696	M	29.7	Very low	31	Very low	138 Å²	138	123.7 Å²	123.7	68%	0.68	67%	0.666	S	S	*	*	H	α-helix	trans	-70.1	-32.6	175	-110	-172.1	-78.8	0	0	113	S692 A693 S694	S692-M696 PolarHBondContact O-N 3.48Å; S692-M696 VanDerWaalsContact O-N 3.1Å; A693-M696 PolarHBondContact O-N 3.29Å; S694-M696 VanDerWaalsContact C-N 3.32Å; S694-M696 PolarHBondContact O-N 3.41Å
697	I	32.4	Very low	31.2	Very low	129 Å²	129	121.6 Å²	121.6	66%	0.662	66%	0.657	S	S	*	*	H	α-helix	trans	-80.7	-35.1	177.6	-64.7	171.4	0	0	0	110.9	A693 S694 S699 F700	A693-I697 WeakPolarHBondContact O-CG1 3.31Å; A693-I697 PolarHBondContact O-N 3.22Å; S694-I697 PolarHBondContact O-N 3.34Å; I697-S699 VanDerWaalsContact C-N 3.34Å; I697-F700 PolarHBondContact O-N 3.36Å
698	E	31.8	Very low	31.4	Very low	153 Å²	153	124.1 Å²	124.1	72%	0.715	66%	0.659	S	S	*	*	H	α-helix	trans	-74.1	-23.9	172.9	-82.1	-177.8	149.7	0	0	113.3	S694 F700	S694-E698 PolarHBondContact O-N 2.93Å; E698-F700 PolarHBondContact O-N 3.23Å
699	S	32.5	Very low	31.4	Very low	104 Å²	104	126.3 Å²	126.3	73%	0.727	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-15.8	171.7	170.8	0	0	0	0	113.4	L695 I697	L695-S699 WeakPolarHBondContact O-CB 3.45Å; L695-S699 PolarHBondContact O-N 3.2Å; I697-S699 VanDerWaalsContact C-N 3.34Å
700	F	31.8	Very low	31.7	Very low	236 Å²	236	118.7 Å²	118.7	100%	1.035	65%	0.645	S	S	*	*			trans	-108.7	0	-172	-151.5	-76.6	0	0	0	110.9	I697 E698	I697-F700 PolarHBondContact O-N 3.36Å; E698-F700 PolarHBondContact O-N 3.23Å

Retrieved 700 of 700 residues in 652.6 ms (Link to these results)

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