A0A077Z2A0_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z2A0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 319 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	47.3	Very low	59.6	Low	243 Å²	243	146.8 Å²	146.8	100%	1.197	79%	0.794	S	S	*	*				0	89	0	-61.9	-174.5	-153.3	0	0	106.3
2	A	56.7	Low	60.7	Low	98 Å²	98	138.8 Å²	138.8	81%	0.81	75%	0.75	S	S	*	*			trans	-93.2	106.7	169.4	0	0	0	0	0	104.8	M4	A2-M4 PolarHBondContact O-N 3.17Å
3	E	59.8	Low	61.9	Low	175 Å²	175	137.3 Å²	137.3	82%	0.818	74%	0.741	S	S	*	*			trans	-57.1	107.2	170.5	-67.9	169.9	172.4	0	0	106	N5	E3-N5 PolarHBondContact O-N 3.26Å
4	M	62.8	Low	63	Low	186 Å²	186	139.1 Å²	139.1	92%	0.916	74%	0.743	S	S	*	*			trans	-61.8	100	164.8	-77.2	-168.2	-179.3	0	0	104.9	A2 G6	A2-M4 PolarHBondContact O-N 3.17Å; M4-G6 PolarHBondContact O-N 3.17Å
5	N	59.5	Low	63.9	Low	144 Å²	144	140.9 Å²	140.9	77%	0.77	75%	0.745	S	S	*	*			trans	-41.4	115.1	170.9	-80.1	-30.1	0	0	0	106.4	E3 T7	E3-N5 PolarHBondContact O-N 3.26Å; N5-T7 PolarHBondContact O-N 3.19Å
6	G	56.7	Low	65.4	Low	64 Å²	64	136.9 Å²	136.9	66%	0.66	72%	0.724	S	S	*	*			trans	-48.2	111.7	173	0	0	0	0	0	106.2	M4 N8	M4-G6 PolarHBondContact O-N 3.17Å; G6-N8 PolarHBondContact O-N 3.43Å
7	T	61.9	Low	66.8	Low	117 Å²	117	129.5 Å²	129.5	72%	0.718	69%	0.686	S	S	*	*			trans	-56.1	99.3	164.2	-15.3	0	0	0	0	102	N5 H9	N5-T7 PolarHBondContact O-N 3.19Å; T7-H9 PolarHBondContact O-N 3.13Å
8	N	52.5	Low	68.2	Low	145 Å²	145	130.7 Å²	130.7	78%	0.775	69%	0.687	S	S	*	*			trans	-58.2	96.9	167.8	-85.1	-28.9	0	0	0	102.4	G6 I10	G6-N8 PolarHBondContact O-N 3.43Å; N8-I10 HydrophobicContact CB-CG1 4.43Å; N8-I10 PolarHBondContact O-N 2.83Å
9	H	61.7	Low	69.6	Low	134 Å²	134	128.2 Å²	128.2	62%	0.62	68%	0.681	S	S	*	*			trans	-59.6	89.1	160.4	-75.4	-86.5	0	0	0	102.9	T7 K11	T7-H9 PolarHBondContact O-N 3.13Å; H9-K11 PolarHBondContact O-N 2.63Å
10	I	67.3	Low	70.9	Confident	135 Å²	135	123.4 Å²	123.4	69%	0.692	66%	0.655	S	S	*	*			trans	-64.1	87.7	163.9	-61	171.9	0	0	0	101.5	N8 L12	N8-I10 HydrophobicContact CB-CG1 4.43Å; N8-I10 PolarHBondContact O-N 2.83Å; I10-L12 VanDerWaalsContact C-N 3.3Å; I10-L12 PolarHBondContact O-N 3.48Å
11	K	69.5	Low	72.1	Confident	174 Å²	174	120.5 Å²	120.5	76%	0.757	64%	0.64	S	S	*	*			trans	-52.6	110.3	161.9	-74.8	-168.8	172.4	-165.2	0	103.2	H9 D13	H9-K11 PolarHBondContact O-N 2.63Å; K11-D13 PolarHBondContact O-N 2.97Å
12	L	72.5	Confident	74.5	Confident	50 Å²	50	108.9 Å²	108.9	26%	0.262	58%	0.583	S	S	.	*			trans	-56.3	113.1	171.1	-74.5	164	0	0	0	104.3	I10 E14 N16 E28 F44	I10-L12 VanDerWaalsContact C-N 3.3Å; I10-L12 PolarHBondContact O-N 3.48Å; L12-E14 PolarHBondContact O-N 3.45Å; L12-N16 WeakPolarHBondContact CD2-ND2 3.24Å; L12-E28 HydrophobicContact CD1-CG 4.22Å; L12-F44 HydrophobicContact CD1-CZ 4.12Å
13	D	76.2	Confident	76.5	Confident	120 Å²	120	107.9 Å²	107.9	64%	0.642	56%	0.561	S	S	*	*			trans	-51.7	138.5	174.4	-76.7	-29.8	0	0	0	107.4	K11 Q15 N16	K11-D13 PolarHBondContact O-N 2.97Å; D13-Q15 PolarHBondContact O-N 2.92Å; D13-N16 WeakPolarHBondContact O-CA 3.47Å; D13-N16 WeakPolarHBondContact O-CB 3.43Å; D13-N16 PolarHBondContact O-N 3.38Å
14	E	78.1	Confident	78.3	Confident	163 Å²	163	103.8 Å²	103.8	76%	0.762	54%	0.542	S	S	*	.	H	α-helix	trans	-49.8	-34.4	-178.6	-68.9	172.4	173.1	0	0	111.8	L12 N16 T17	L12-E14 PolarHBondContact O-N 3.45Å; E14-N16 PolarHBondContact O-N 3.39Å; E14-T17 PolarHBondContact O-N 3.49Å; E14-T17 PolarHBondContact O-OG1 2.92Å
15	Q	76.5	Confident	79.9	Confident	166 Å²	166	95 Å²	95	78%	0.776	50%	0.499	S	S	*	.	H	α-helix	trans	-59.1	-29.5	174.9	-65.9	-174.7	-11.3	0	0	114.1	D13	D13-Q15 PolarHBondContact O-N 2.92Å
16	N	87.2	Confident	81.8	Confident	76 Å²	76	88.1 Å²	88.1	41%	0.406	46%	0.462	S	S	.	.	H	α-helix	trans	-82	-16.9	176.2	-159.5	35.8	0	0	0	112.3	L12 D13 E14 S19	L12-N16 WeakPolarHBondContact CD2-ND2 3.24Å; D13-N16 WeakPolarHBondContact O-CA 3.47Å; D13-N16 WeakPolarHBondContact O-CB 3.43Å; D13-N16 PolarHBondContact O-N 3.38Å; E14-N16 PolarHBondContact O-N 3.39Å; N16-S19 PolarHBondContact O-OG 3.3Å; N16-S19 PolarHBondContact OD1-OG 2.9Å
17	T	89.6	Confident	83.7	Confident	12 Å²	12	89.6 Å²	89.6	7%	0.074	45%	0.454	C	S	.	.	H	α-helix	trans	-75.7	-29.9	176.3	67.8	0	0	0	0	112.2	E14 S19 F44 K47	E14-T17 PolarHBondContact O-N 3.49Å; E14-T17 PolarHBondContact O-OG1 2.92Å; T17-S19 VanDerWaalsContact C-N 3.32Å; T17-S19 PolarHBondContact O-N 3.3Å; T17-F44 HydrophobicContact CG2-CE1 4.07Å; T17-F44 HydrophobicContact CG2-CZ 4.16Å; T17-K47 PolarHBondContact OG1-NZ 3.06Å
18	E	91.7	Very high	85.4	Confident	151 Å²	151	85 Å²	85	71%	0.706	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-27.3	179.7	-66.1	-177.2	175.2	0	0	113.2	K51	E18-K51 PolarHBondContact O-NZ 3.11Å
19	S	94.3	Very high	87.6	Confident	82 Å²	82	78.1 Å²	78.1	57%	0.573	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-18.1	-177.6	65.3	0	0	0	0	114	N16 T17	N16-S19 PolarHBondContact O-OG 3.3Å; N16-S19 PolarHBondContact OD1-OG 2.9Å; T17-S19 VanDerWaalsContact C-N 3.32Å; T17-S19 PolarHBondContact O-N 3.3Å
20	L	95.9	Very high	89.3	Confident	32 Å²	32	74.6 Å²	74.6	17%	0.168	37%	0.37	C	S	.	.	S	Bend	trans	-71.8	145.6	179.3	-60.8	177.1	0	0	0	110.9	E24 L25 K51	L20-E24 WeakPolarHBondContact CA-OE2 3.23Å; L20-E24 HydrophobicContact CB-CB 3.99Å; L20-E24 HydrophobicContact CD2-CB 4.06Å; L20-E24 HydrophobicContact CG-CB 4.43Å; L20-L25 HydrophobicContact CB-CD2 3.97Å; L20-L25 HydrophobicContact CB-CG 3.86Å; L20-L25 HydrophobicContact CD1-CD2 3.86Å; L20-L25 HydrophobicContact CD1-CG 4.47Å; L20-K51 VanDerWaalsContact O-CD 3.28Å; L20-K51 WeakPolarHBondContact O-CD 3.4Å; L20-K51 WeakPolarHBondContact O-CE 3.39Å; L20-K51 PolarHBondContact O-NZ 2.99Å
21	N	96.8	Very high	90.8	Very high	63 Å²	63	74.5 Å²	74.5	34%	0.337	36%	0.361	S	S	.	.			trans	-80.3	173.3	169.7	67.6	52.7	0	0	0	111.5	E23 E24 L25	N21-E23 VanDerWaalsContact C-N 3.31Å; N21-E23 PolarHBondContact O-N 2.95Å; N21-E23 WeakPolarHBondContact OD1-CB 3.21Å; N21-E23 PolarHBondContact OD1-N 2.82Å; N21-E24 PolarHBondContact N-OE2 2.99Å; N21-E24 PolarHBondContact ND2-OE2 3.13Å; N21-E24 VanDerWaalsContact ND2-OE2 3.14Å; N21-E24 PolarHBondContact O-N 3.21Å; N21-E24 PolarHBondContact OD1-N 3.23Å; N21-L25 WeakPolarHBondContact O-CG 3.29Å; N21-L25 PolarHBondContact O-N 3.23Å; N21-L25 VanDerWaalsContact O-N 3.14Å
22	A	97.5	Very high	92.1	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-55	-42.9	-178.4	0	0	0	0	0	113.7	L26 S48 K51 A52 E55	A22-L26 PolarHBondContact O-N 3.38Å; A22-S48 PolarHBondContact O-OG 3.37Å; A22-K51 HydrophobicContact CB-CB 3.9Å; A22-A52 HydrophobicContact CB-CB 3.91Å; A22-E55 PolarHBondContact N-OE1 2.91Å
23	E	97.8	Very high	93.3	Very high	77 Å²	77	67.7 Å²	67.7	36%	0.36	33%	0.329	S	S	.	.	H	α-helix	trans	-71.7	-40.4	-178	-174.4	59.7	-147.5	0	0	112	N21 L25 L26 I27	N21-E23 VanDerWaalsContact C-N 3.31Å; N21-E23 PolarHBondContact O-N 2.95Å; N21-E23 WeakPolarHBondContact OD1-CB 3.21Å; N21-E23 PolarHBondContact OD1-N 2.82Å; E23-L25 VanDerWaalsContact C-N 3.3Å; E23-L25 PolarHBondContact O-N 2.71Å; E23-L26 WeakPolarHBondContact O-CB 3.33Å; E23-L26 PolarHBondContact O-N 3.02Å; E23-L26 VanDerWaalsContact O-N 3.15Å; E23-I27 HydrophobicContact CG-CD1 4.07Å; E23-I27 VanDerWaalsContact O-CG1 3.31Å; E23-I27 WeakPolarHBondContact O-CG1 3.49Å; E23-I27 PolarHBondContact O-N 3.44Å
24	E	97.5	Very high	94.3	Very high	89 Å²	89	67.7 Å²	67.7	42%	0.416	33%	0.333	S	S	.	.	H	α-helix	trans	-62.2	-39	176.1	-72.5	170.5	153.6	0	0	111.7	L20 N21 E28	L20-E24 WeakPolarHBondContact CA-OE2 3.23Å; L20-E24 HydrophobicContact CB-CB 3.99Å; L20-E24 HydrophobicContact CD2-CB 4.06Å; L20-E24 HydrophobicContact CG-CB 4.43Å; N21-E24 PolarHBondContact N-OE2 2.99Å; N21-E24 PolarHBondContact ND2-OE2 3.13Å; N21-E24 VanDerWaalsContact ND2-OE2 3.14Å; N21-E24 PolarHBondContact O-N 3.21Å; N21-E24 PolarHBondContact OD1-N 3.23Å; E24-E28 WeakPolarHBondContact O-CB 3.44Å; E24-E28 PolarHBondContact O-N 2.99Å
25	L	98.2	Very high	95.1	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-66.5	-40	172.7	-69	169.2	0	0	0	112	L20 N21 E23 E28 G29 F44 K47 K51	L20-L25 HydrophobicContact CB-CD2 3.97Å; L20-L25 HydrophobicContact CB-CG 3.86Å; L20-L25 HydrophobicContact CD1-CD2 3.86Å; L20-L25 HydrophobicContact CD1-CG 4.47Å; N21-L25 WeakPolarHBondContact O-CG 3.29Å; N21-L25 PolarHBondContact O-N 3.23Å; N21-L25 VanDerWaalsContact O-N 3.14Å; E23-L25 VanDerWaalsContact C-N 3.3Å; E23-L25 PolarHBondContact O-N 2.71Å; L25-E28 PolarHBondContact O-N 3.34Å; L25-G29 PolarHBondContact O-N 3.39Å; L25-F44 HydrophobicContact CD2-CD1 3.71Å; L25-F44 HydrophobicContact CD2-CE1 4.01Å; L25-K47 HydrophobicContact CD1-CB 3.91Å; L25-K51 HydrophobicContact CD1-CD 3.62Å; L25-K51 HydrophobicContact CD1-CG 4.31Å
26	L	98.2	Very high	96	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-61.7	-44.9	176.5	-176	64.1	0	0	0	111	A22 E23 G29 K30 F45 S48 E65 H69	A22-L26 PolarHBondContact O-N 3.38Å; E23-L26 WeakPolarHBondContact O-CB 3.33Å; E23-L26 PolarHBondContact O-N 3.02Å; E23-L26 VanDerWaalsContact O-N 3.15Å; L26-G29 PolarHBondContact O-N 2.92Å; L26-K30 HydrophobicContact CG-CD 4.41Å; L26-K30 WeakPolarHBondContact O-CG 3.1Å; L26-K30 PolarHBondContact O-N 2.85Å; L26-F45 HydrophobicContact CD1-CD1 3.81Å; L26-F45 HydrophobicContact CD1-CE1 3.83Å; L26-F45 WeakPolarHBondContact O-CE1 3.4Å; L26-S48 WeakPolarHBondContact CB-OG 3.27Å; L26-S48 PolarHBondContact N-OG 3.48Å; L26-E65 HydrophobicContact CD2-CG 4.17Å; L26-H69 HydrophobicContact CD1-CB 4.16Å
27	I	98	Very high	96.4	Very high	96 Å²	96	61.4 Å²	61.4	49%	0.492	31%	0.307	S	S	.	.	H	α-helix	trans	-62.7	-44.4	177.9	-69.2	166.5	0	0	0	110.9	E23 K30 R31	E23-I27 HydrophobicContact CG-CD1 4.07Å; E23-I27 VanDerWaalsContact O-CG1 3.31Å; E23-I27 WeakPolarHBondContact O-CG1 3.49Å; E23-I27 PolarHBondContact O-N 3.44Å; I27-K30 PolarHBondContact O-N 3.16Å; I27-R31 PolarHBondContact O-N 2.85Å
28	E	97.5	Very high	96.8	Very high	20 Å²	20	62 Å²	62	9%	0.093	31%	0.309	C	S	.	.	H	α-helix	trans	-64.6	-43.4	177.1	-179	57.3	-151.2	0	0	111.4	L12 E24 L25 K30 R31 R32 F44	L12-E28 HydrophobicContact CD1-CG 4.22Å; E24-E28 WeakPolarHBondContact O-CB 3.44Å; E24-E28 PolarHBondContact O-N 2.99Å; L25-E28 PolarHBondContact O-N 3.34Å; E28-K30 VanDerWaalsContact C-N 3.34Å; E28-K30 PolarHBondContact O-N 3.27Å; E28-R31 VanDerWaalsContact CD-CZ 3.42Å; E28-R31 WeakPolarHBondContact O-CB 3.36Å; E28-R31 PolarHBondContact O-N 2.78Å; E28-R31 VanDerWaalsContact O-N 3.12Å; E28-R31 IonicContact OE1-CZ 3.67Å; E28-R31 IonicContact OE1-NE 3.62Å; E28-R31 PolarHBondContact OE1-NE 3.03Å; E28-R31 IonicContact OE1-NH2 3.64Å; E28-R31 PolarHBondContact OE1-NH2 3.44Å; E28-R31 IonicContact OE2-CZ 3.31Å; E28-R31 IonicContact OE2-NE 2.62Å; E28-R31 PolarHBondContact OE2-NE 3.45Å; E28-R31 IonicContact OE2-NH1 3.06Å; E28-R31 PolarHBondContact OE2-NH1 2.94Å; E28-R31 VanDerWaalsContact OE2-NH1 3.13Å; E28-R31 IonicContact OE2-NH2 3.16Å; E28-R31 PolarHBondContact OE2-NH2 2.99Å; E28-R32 WeakPolarHBondContact O-CG 3.45Å; E28-R32 PolarHBondContact O-N 3.2Å; E28-R32 IonicContact OE1-CZ 2.88Å; E28-R32 IonicContact OE1-NE 3.74Å; E28-R32 PolarHBondContact OE1-NE 3.42Å; E28-R32 IonicContact OE1-NH2 3.39Å; E28-F44 HydrophobicContact CB-CD1 3.92Å; E28-F44 HydrophobicContact CB-CE1 4.05Å; E28-F44 HydrophobicContact CB-CG 4.36Å; E28-F44 HydrophobicContact CG-CD1 3.61Å; E28-F44 HydrophobicContact CG-CD2 3.99Å; E28-F44 HydrophobicContact CG-CE1 3.37Å; E28-F44 HydrophobicContact CG-CE2 3.78Å; E28-F44 HydrophobicContact CG-CG 3.93Å; E28-F44 HydrophobicContact CG-CZ 3.47Å; E28-F44 VanDerWaalsContact CG-CZ 3.47Å
29	G	97.9	Very high	96.9	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-59.4	-42.7	174.2	0	0	0	0	0	112.6	L25 L26 R31 R32 F33 F45	L25-G29 PolarHBondContact O-N 3.39Å; L26-G29 PolarHBondContact O-N 2.92Å; G29-R31 VanDerWaalsContact C-N 3.3Å; G29-R31 PolarHBondContact O-N 3.21Å; G29-R32 PolarHBondContact O-N 3.48Å; G29-F33 WeakPolarHBondContact O-CB 3.3Å; G29-F33 PolarHBondContact O-N 3.31Å; G29-F45 WeakPolarHBondContact O-CZ 3.47Å
30	K	98.2	Very high	97	Very high	61 Å²	61	57.1 Å²	57.1	27%	0.265	29%	0.289	S	S	.	.	H	α-helix	trans	-60.5	-40	174.5	-76.5	170	178.8	170.7	0	111.7	L26 I27 E28 F33 V34 F45 E65 H69	L26-K30 HydrophobicContact CG-CD 4.41Å; L26-K30 WeakPolarHBondContact O-CG 3.1Å; L26-K30 PolarHBondContact O-N 2.85Å; I27-K30 PolarHBondContact O-N 3.16Å; E28-K30 VanDerWaalsContact C-N 3.34Å; E28-K30 PolarHBondContact O-N 3.27Å; K30-F33 PolarHBondContact O-N 3.5Å; K30-V34 WeakPolarHBondContact O-CG2 3.34Å; K30-V34 PolarHBondContact O-N 3.17Å; K30-V34 VanDerWaalsContact O-N 3.08Å; K30-F45 HydrophobicContact CG-CE1 4Å; K30-F45 HydrophobicContact CG-CZ 4.08Å; K30-F45 VanDerWaalsContact N-CE1 3.28Å; K30-F45 VanDerWaalsContact N-CZ 3.29Å; K30-E65 IonicContact NZ-OE1 3.13Å; K30-E65 PolarHBondContact NZ-OE1 3.16Å; K30-H69 WeakPolarHBondContact CE-NE2 3.45Å
31	R	97.7	Very high	97	Very high	132 Å²	132	55.6 Å²	55.6	50%	0.498	28%	0.281	S	S	.	.	H	α-helix	trans	-60.8	-47.3	175.7	-171.4	-176.3	78.7	-175.9	6.5	111.2	I27 E28 G29 F33 V34 T35	I27-R31 PolarHBondContact O-N 2.85Å; E28-R31 VanDerWaalsContact CD-CZ 3.42Å; E28-R31 WeakPolarHBondContact O-CB 3.36Å; E28-R31 PolarHBondContact O-N 2.78Å; E28-R31 VanDerWaalsContact O-N 3.12Å; E28-R31 IonicContact OE1-CZ 3.67Å; E28-R31 IonicContact OE1-NE 3.62Å; E28-R31 PolarHBondContact OE1-NE 3.03Å; E28-R31 IonicContact OE1-NH2 3.64Å; E28-R31 PolarHBondContact OE1-NH2 3.44Å; E28-R31 IonicContact OE2-CZ 3.31Å; E28-R31 IonicContact OE2-NE 2.62Å; E28-R31 PolarHBondContact OE2-NE 3.45Å; E28-R31 IonicContact OE2-NH1 3.06Å; E28-R31 PolarHBondContact OE2-NH1 2.94Å; E28-R31 VanDerWaalsContact OE2-NH1 3.13Å; E28-R31 IonicContact OE2-NH2 3.16Å; E28-R31 PolarHBondContact OE2-NH2 2.99Å; G29-R31 VanDerWaalsContact C-N 3.3Å; G29-R31 PolarHBondContact O-N 3.21Å; R31-F33 VanDerWaalsContact C-N 3.34Å; R31-V34 PolarHBondContact O-N 2.91Å; R31-T35 PolarHBondContact O-N 2.98Å; R31-T35 PolarHBondContact O-OG1 2.73Å
32	R	96.9	Very high	97.1	Very high	21 Å²	21	52.9 Å²	52.9	8%	0.079	27%	0.267	C	S	.	.	H	α-helix	trans	-63.3	-39.5	178.3	-63	-64.5	177.5	147.1	19.4	112.5	E28 G29 V34 T35 E36 E37 E40 A41 F44	E28-R32 WeakPolarHBondContact O-CG 3.45Å; E28-R32 PolarHBondContact O-N 3.2Å; E28-R32 IonicContact OE1-CZ 2.88Å; E28-R32 IonicContact OE1-NE 3.74Å; E28-R32 PolarHBondContact OE1-NE 3.42Å; E28-R32 IonicContact OE1-NH2 3.39Å; G29-R32 PolarHBondContact O-N 3.48Å; R32-V34 VanDerWaalsContact C-N 3.34Å; R32-V34 PolarHBondContact O-N 3.36Å; R32-T35 WeakPolarHBondContact CA-OG1 3.44Å; R32-T35 CarbonylContact O-C 3.53Å; R32-T35 PolarHBondContact O-N 3.37Å; R32-T35 PolarHBondContact O-OG1 2.8Å; R32-E36 PolarHBondContact O-N 3.48Å; R32-E37 HydrophobicContact CB-CB 4.34Å; R32-E37 WeakPolarHBondContact CD-OE2 3.39Å; R32-E37 IonicContact CZ-OE2 3.53Å; R32-E37 IonicContact NE-OE2 3.65Å; R32-E37 IonicContact NH1-OE1 3.89Å; R32-E37 IonicContact NH1-OE2 2.7Å; R32-E37 PolarHBondContact NH1-OE2 2.91Å; R32-E37 PolarHBondContact O-N 2.95Å; R32-E40 HydrophobicContact CG-CB 4.44Å; R32-E40 IonicContact CZ-OE2 3.08Å; R32-E40 IonicContact NE-OE2 2.7Å; R32-E40 IonicContact NH1-OE2 2.67Å; R32-E40 PolarHBondContact NH1-OE2 2.98Å; R32-E40 IonicContact NH2-OE2 3.49Å; R32-E40 PolarHBondContact NH2-OE2 2.84Å; R32-A41 HydrophobicContact CB-CB 3.8Å; R32-F44 HydrophobicContact CG-CD2 4.16Å; R32-F44 HydrophobicContact CG-CE2 4.42Å
33	F	97.3	Very high	97	Very high	60 Å²	60	58 Å²	58	26%	0.263	30%	0.295	S	S	.	.	H	α-helix	trans	-61.3	-42.8	175.7	-169.1	-86.7	0	0	0	111.6	G29 K30 R31 T35 E36 F38 A41 F45 K72 A73 A76	G29-F33 WeakPolarHBondContact O-CB 3.3Å; G29-F33 PolarHBondContact O-N 3.31Å; K30-F33 PolarHBondContact O-N 3.5Å; R31-F33 VanDerWaalsContact C-N 3.34Å; F33-T35 VanDerWaalsContact C-N 3.28Å; F33-T35 PolarHBondContact O-N 2.9Å; F33-E36 PolarHBondContact O-N 3.23Å; F33-E36 VanDerWaalsContact O-N 3.09Å; F33-F38 HydrophobicContact CD1-CE1 4.34Å; F33-F38 AromaticContact CD2-CD1 3.69Å; F33-F38 HydrophobicContact CD2-CD1 3.69Å; F33-F38 AromaticContact CD2-CE1 3.91Å; F33-F38 HydrophobicContact CD2-CE1 3.91Å; F33-F38 HydrophobicContact CE1-CE1 4.26Å; F33-F38 AromaticContact CE2-CD1 3.81Å; F33-F38 HydrophobicContact CE2-CD1 3.81Å; F33-F38 AromaticContact CE2-CE1 3.82Å; F33-F38 HydrophobicContact CE2-CE1 3.82Å; F33-F38 HydrophobicContact CG-CD1 4.25Å; F33-F38 HydrophobicContact CG-CE1 4.17Å; F33-F38 HydrophobicContact CZ-CD1 4.45Å; F33-F38 AromaticContact CZ-CE1 4Å; F33-F38 HydrophobicContact CZ-CE1 4Å; F33-F38 WeakPolarHBondContact O-CE1 3.39Å; F33-A41 HydrophobicContact CB-CB 3.98Å; F33-A41 HydrophobicContact CD2-CB 4.41Å; F33-F45 HydrophobicContact CB-CE2 4.28Å; F33-F45 HydrophobicContact CB-CZ 4.33Å; F33-F45 HydrophobicContact CD2-CE2 4.26Å; F33-K72 HydrophobicContact CE2-CB 4.29Å; F33-K72 HydrophobicContact CZ-CB 4.45Å; F33-A73 HydrophobicContact CD2-CB 4.08Å; F33-A73 HydrophobicContact CE2-CB 4.35Å; F33-A76 HydrophobicContact CE2-CB 3.96Å; F33-A76 HydrophobicContact CZ-CB 4.26Å
34	V	96.9	Very high	97	Very high	120 Å²	120	55.1 Å²	55.1	73%	0.727	28%	0.281	S	S	*	.	H	α-helix	trans	-66.4	-29.6	177	171.5	0	0	0	0	112.4	K30 R31 R32 E36	K30-V34 WeakPolarHBondContact O-CG2 3.34Å; K30-V34 PolarHBondContact O-N 3.17Å; K30-V34 VanDerWaalsContact O-N 3.08Å; R31-V34 PolarHBondContact O-N 2.91Å; R32-V34 VanDerWaalsContact C-N 3.34Å; R32-V34 PolarHBondContact O-N 3.36Å; V34-E36 PolarHBondContact O-N 3.22Å
35	T	96.3	Very high	97	Very high	78 Å²	78	50.9 Å²	50.9	48%	0.479	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	11.4	174.2	55.1	0	0	0	0	113.4	R31 R32 F33 E37	R31-T35 PolarHBondContact O-N 2.98Å; R31-T35 PolarHBondContact O-OG1 2.73Å; R32-T35 WeakPolarHBondContact CA-OG1 3.44Å; R32-T35 CarbonylContact O-C 3.53Å; R32-T35 PolarHBondContact O-N 3.37Å; R32-T35 PolarHBondContact O-OG1 2.8Å; F33-T35 VanDerWaalsContact C-N 3.28Å; F33-T35 PolarHBondContact O-N 2.9Å; T35-E37 PolarHBondContact O-N 3.29Å; T35-E37 VanDerWaalsContact O-N 3.16Å; T35-E37 PolarHBondContact OG1-OE2 2.87Å
36	E	95.6	Very high	97	Very high	141 Å²	141	52.3 Å²	52.3	66%	0.659	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	19.8	-179.7	-56.8	176.9	169.9	0	0	113.7	R32 F33 V34 F38	R32-E36 PolarHBondContact O-N 3.48Å; F33-E36 PolarHBondContact O-N 3.23Å; F33-E36 VanDerWaalsContact O-N 3.09Å; V34-E36 PolarHBondContact O-N 3.22Å; E36-F38 HydrophobicContact CB-CE1 4.48Å; E36-F38 HydrophobicContact CB-CE2 4.39Å; E36-F38 HydrophobicContact CB-CZ 4.09Å; E36-F38 HydrophobicContact CG-CZ 4.11Å; E36-F38 PolarHBondContact O-N 3.28Å; E36-F38 VanDerWaalsContact O-N 3.07Å
37	E	95.5	Very high	97	Very high	55 Å²	55	56 Å²	56	26%	0.257	29%	0.287	S	S	.	.			trans	-86.6	61.3	174.9	-64.2	175.8	165.1	0	0	108.9	R32 T35 G39 E40 A41	R32-E37 HydrophobicContact CB-CB 4.34Å; R32-E37 WeakPolarHBondContact CD-OE2 3.39Å; R32-E37 IonicContact CZ-OE2 3.53Å; R32-E37 IonicContact NE-OE2 3.65Å; R32-E37 IonicContact NH1-OE1 3.89Å; R32-E37 IonicContact NH1-OE2 2.7Å; R32-E37 PolarHBondContact NH1-OE2 2.91Å; R32-E37 PolarHBondContact O-N 2.95Å; T35-E37 PolarHBondContact O-N 3.29Å; T35-E37 VanDerWaalsContact O-N 3.16Å; T35-E37 PolarHBondContact OG1-OE2 2.87Å; E37-G39 PolarHBondContact O-N 3.07Å; E37-E40 HydrophobicContact CB-CB 4.33Å; E37-E40 PolarHBondContact O-N 3.01Å; E37-A41 WeakPolarHBondContact O-CB 3.38Å; E37-A41 PolarHBondContact O-N 3.38Å
38	F	96.3	Very high	97	Very high	25 Å²	25	51.5 Å²	51.5	11%	0.11	26%	0.264	C	S	.	.	H	α-helix	trans	-63.9	-37	-166.3	-60.1	-45.2	0	0	0	114.7	F33 E36 A41 A42 A76 A77 N80	F33-F38 HydrophobicContact CD1-CE1 4.34Å; F33-F38 AromaticContact CD2-CD1 3.69Å; F33-F38 HydrophobicContact CD2-CD1 3.69Å; F33-F38 AromaticContact CD2-CE1 3.91Å; F33-F38 HydrophobicContact CD2-CE1 3.91Å; F33-F38 HydrophobicContact CE1-CE1 4.26Å; F33-F38 AromaticContact CE2-CD1 3.81Å; F33-F38 HydrophobicContact CE2-CD1 3.81Å; F33-F38 AromaticContact CE2-CE1 3.82Å; F33-F38 HydrophobicContact CE2-CE1 3.82Å; F33-F38 HydrophobicContact CG-CD1 4.25Å; F33-F38 HydrophobicContact CG-CE1 4.17Å; F33-F38 HydrophobicContact CZ-CD1 4.45Å; F33-F38 AromaticContact CZ-CE1 4Å; F33-F38 HydrophobicContact CZ-CE1 4Å; F33-F38 WeakPolarHBondContact O-CE1 3.39Å; E36-F38 HydrophobicContact CB-CE1 4.48Å; E36-F38 HydrophobicContact CB-CE2 4.39Å; E36-F38 HydrophobicContact CB-CZ 4.09Å; E36-F38 HydrophobicContact CG-CZ 4.11Å; E36-F38 PolarHBondContact O-N 3.28Å; E36-F38 VanDerWaalsContact O-N 3.07Å; F38-A41 WeakPolarHBondContact O-CB 3.34Å; F38-A41 PolarHBondContact O-N 3.42Å; F38-A42 WeakPolarHBondContact O-CB 3.46Å; F38-A42 PolarHBondContact O-N 3.15Å; F38-A76 HydrophobicContact CB-CB 4.41Å; F38-A76 HydrophobicContact CD1-CB 3.83Å; F38-A76 HydrophobicContact CD2-CB 3.68Å; F38-A76 VanDerWaalsContact CD2-O 3.29Å; F38-A76 WeakPolarHBondContact CD2-O 3.49Å; F38-A76 HydrophobicContact CE1-CB 3.94Å; F38-A76 HydrophobicContact CE2-CB 3.74Å; F38-A76 HydrophobicContact CG-CB 3.73Å; F38-A76 HydrophobicContact CZ-CB 3.91Å; F38-A77 HydrophobicContact CB-CB 3.77Å; F38-N80 HydrophobicContact CD2-CB 4.18Å; F38-N80 WeakPolarHBondContact CD2-ND2 3.4Å; F38-N80 HydrophobicContact CE2-CB 4.43Å; F38-N80 VanDerWaalsContact CE2-CG 3.45Å; F38-N80 WeakPolarHBondContact CE2-ND2 3.37Å
39	G	94.9	Very high	97.1	Very high	45 Å²	45	51.1 Å²	51.1	46%	0.464	26%	0.263	S	S	.	.	H	α-helix	trans	-61.8	-46.3	173.7	0	0	0	0	0	112.3	E37 A41 A42 D43	E37-G39 PolarHBondContact O-N 3.07Å; G39-A41 VanDerWaalsContact C-N 3.33Å; G39-A41 PolarHBondContact O-N 3.18Å; G39-A42 PolarHBondContact O-N 2.87Å; G39-D43 PolarHBondContact O-N 2.66Å; G39-D43 VanDerWaalsContact O-N 3.1Å
40	E	95.8	Very high	97.1	Very high	84 Å²	84	56.9 Å²	56.9	39%	0.393	29%	0.29	S	S	.	.	H	α-helix	trans	-65.8	-37.8	175.3	-62.9	-169.4	-161.2	0	0	111.4	R32 E37 A42 D43 F44	R32-E40 HydrophobicContact CG-CB 4.44Å; R32-E40 IonicContact CZ-OE2 3.08Å; R32-E40 IonicContact NE-OE2 2.7Å; R32-E40 IonicContact NH1-OE2 2.67Å; R32-E40 PolarHBondContact NH1-OE2 2.98Å; R32-E40 IonicContact NH2-OE2 3.49Å; R32-E40 PolarHBondContact NH2-OE2 2.84Å; E37-E40 HydrophobicContact CB-CB 4.33Å; E37-E40 PolarHBondContact O-N 3.01Å; E40-A42 VanDerWaalsContact C-N 3.35Å; E40-A42 PolarHBondContact O-N 3.13Å; E40-D43 PolarHBondContact O-N 2.67Å; E40-F44 VanDerWaalsContact O-CD2 3.28Å; E40-F44 WeakPolarHBondContact O-CD2 3.4Å; E40-F44 PolarHBondContact O-N 2.7Å; E40-F44 VanDerWaalsContact O-N 3.09Å
41	A	97.2	Very high	97.1	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60.5	-44.4	175	0	0	0	0	0	111.6	R32 F33 E37 F38 G39 D43 F44 F45 A73	R32-A41 HydrophobicContact CB-CB 3.8Å; F33-A41 HydrophobicContact CB-CB 3.98Å; F33-A41 HydrophobicContact CD2-CB 4.41Å; E37-A41 WeakPolarHBondContact O-CB 3.38Å; E37-A41 PolarHBondContact O-N 3.38Å; F38-A41 WeakPolarHBondContact O-CB 3.34Å; F38-A41 PolarHBondContact O-N 3.42Å; G39-A41 VanDerWaalsContact C-N 3.33Å; G39-A41 PolarHBondContact O-N 3.18Å; A41-D43 VanDerWaalsContact C-N 3.35Å; A41-D43 PolarHBondContact O-N 3.3Å; A41-F44 PolarHBondContact O-N 2.9Å; A41-F45 HydrophobicContact CB-CD2 4.33Å; A41-F45 HydrophobicContact CB-CE2 3.98Å; A41-F45 WeakPolarHBondContact O-CB 3.16Å; A41-F45 WeakPolarHBondContact O-CD2 3.34Å; A41-F45 VanDerWaalsContact O-CG 3.23Å; A41-F45 WeakPolarHBondContact O-CG 3.41Å; A41-F45 PolarHBondContact O-N 2.95Å; A41-A73 HydrophobicContact CB-CB 4.2Å
42	A	97.3	Very high	97.1	Very high	7 Å²	7	50.4 Å²	50.4	6%	0.058	27%	0.265	C	S	.	.	H	α-helix	trans	-60.6	-42.2	176.9	0	0	0	0	0	111.7	F38 G39 E40 F44 F45 S46 Y70 A73 L74	F38-A42 WeakPolarHBondContact O-CB 3.46Å; F38-A42 PolarHBondContact O-N 3.15Å; G39-A42 PolarHBondContact O-N 2.87Å; E40-A42 VanDerWaalsContact C-N 3.35Å; E40-A42 PolarHBondContact O-N 3.13Å; A42-F44 PolarHBondContact O-N 2.82Å; A42-F45 PolarHBondContact O-N 2.7Å; A42-S46 WeakPolarHBondContact O-CB 3.28Å; A42-S46 PolarHBondContact O-N 2.82Å; A42-Y70 HydrophobicContact CB-CD2 4.38Å; A42-Y70 HydrophobicContact CB-CE2 4.14Å; A42-Y70 WeakPolarHBondContact O-CE2 3.38Å; A42-A73 HydrophobicContact CB-CB 3.92Å; A42-L74 HydrophobicContact CB-CD2 4.07Å
43	D	96.5	Very high	97.1	Very high	107 Å²	107	52.6 Å²	52.6	57%	0.572	28%	0.277	S	S	*	.	H	α-helix	trans	-59.9	-45.1	174.9	-73.9	-21.8	0	0	0	112.2	G39 E40 A41 K47	G39-D43 PolarHBondContact O-N 2.66Å; G39-D43 VanDerWaalsContact O-N 3.1Å; E40-D43 PolarHBondContact O-N 2.67Å; A41-D43 VanDerWaalsContact C-N 3.35Å; A41-D43 PolarHBondContact O-N 3.3Å; D43-K47 WeakPolarHBondContact O-CG 3.39Å; D43-K47 PolarHBondContact O-N 2.91Å
44	F	97.6	Very high	97.2	Very high	17 Å²	17	57.7 Å²	57.7	8%	0.075	30%	0.302	C	S	.	.	H	α-helix	trans	-66.8	-41.6	177.3	-86.5	-75	0	0	0	112.1	L12 T17 L25 E28 R32 E40 A41 A42 S48	L12-F44 HydrophobicContact CD1-CZ 4.12Å; T17-F44 HydrophobicContact CG2-CE1 4.07Å; T17-F44 HydrophobicContact CG2-CZ 4.16Å; L25-F44 HydrophobicContact CD2-CD1 3.71Å; L25-F44 HydrophobicContact CD2-CE1 4.01Å; E28-F44 HydrophobicContact CB-CD1 3.92Å; E28-F44 HydrophobicContact CB-CE1 4.05Å; E28-F44 HydrophobicContact CB-CG 4.36Å; E28-F44 HydrophobicContact CG-CD1 3.61Å; E28-F44 HydrophobicContact CG-CD2 3.99Å; E28-F44 HydrophobicContact CG-CE1 3.37Å; E28-F44 HydrophobicContact CG-CE2 3.78Å; E28-F44 HydrophobicContact CG-CG 3.93Å; E28-F44 HydrophobicContact CG-CZ 3.47Å; E28-F44 VanDerWaalsContact CG-CZ 3.47Å; R32-F44 HydrophobicContact CG-CD2 4.16Å; R32-F44 HydrophobicContact CG-CE2 4.42Å; E40-F44 VanDerWaalsContact O-CD2 3.28Å; E40-F44 WeakPolarHBondContact O-CD2 3.4Å; E40-F44 PolarHBondContact O-N 2.7Å; E40-F44 VanDerWaalsContact O-N 3.09Å; A41-F44 PolarHBondContact O-N 2.9Å; A42-F44 PolarHBondContact O-N 2.82Å; F44-S48 WeakPolarHBondContact O-CB 3.41Å; F44-S48 PolarHBondContact O-N 3.11Å
45	F	98.3	Very high	97.2	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-68.1	-37.4	178	-65.6	-40.5	0	0	0	112.8	L26 G29 K30 F33 A41 A42 S48 L49 H69 Y70 A73	L26-F45 HydrophobicContact CD1-CD1 3.81Å; L26-F45 HydrophobicContact CD1-CE1 3.83Å; L26-F45 WeakPolarHBondContact O-CE1 3.4Å; G29-F45 WeakPolarHBondContact O-CZ 3.47Å; K30-F45 HydrophobicContact CG-CE1 4Å; K30-F45 HydrophobicContact CG-CZ 4.08Å; K30-F45 VanDerWaalsContact N-CE1 3.28Å; K30-F45 VanDerWaalsContact N-CZ 3.29Å; F33-F45 HydrophobicContact CB-CE2 4.28Å; F33-F45 HydrophobicContact CB-CZ 4.33Å; F33-F45 HydrophobicContact CD2-CE2 4.26Å; A41-F45 HydrophobicContact CB-CD2 4.33Å; A41-F45 HydrophobicContact CB-CE2 3.98Å; A41-F45 WeakPolarHBondContact O-CB 3.16Å; A41-F45 WeakPolarHBondContact O-CD2 3.34Å; A41-F45 VanDerWaalsContact O-CG 3.23Å; A41-F45 WeakPolarHBondContact O-CG 3.41Å; A41-F45 PolarHBondContact O-N 2.95Å; A42-F45 PolarHBondContact O-N 2.7Å; F45-S48 WeakPolarHBondContact O-CB 3.36Å; F45-S48 PolarHBondContact O-N 3.48Å; F45-L49 WeakPolarHBondContact O-CB 3.31Å; F45-L49 PolarHBondContact O-N 3Å; F45-H69 HydrophobicContact CD1-CB 3.9Å; F45-H69 HydrophobicContact CD2-CB 4.13Å; F45-H69 VanDerWaalsContact CD2-O 3.25Å; F45-H69 WeakPolarHBondContact CD2-O 3.33Å; F45-H69 HydrophobicContact CE1-CB 3.76Å; F45-H69 HydrophobicContact CE2-CB 4Å; F45-H69 WeakPolarHBondContact CE2-O 3.31Å; F45-H69 HydrophobicContact CG-CB 4.09Å; F45-H69 HydrophobicContact CZ-CB 3.8Å; F45-H69 AromaticContact CZ-ND1 3.99Å; F45-Y70 HydrophobicContact CB-CD2 4.06Å; F45-Y70 HydrophobicContact CB-CG 4.26Å; F45-A73 HydrophobicContact CD2-CB 3.6Å; F45-A73 HydrophobicContact CE2-CB 3.84Å
46	S	98	Very high	97.3	Very high	30 Å²	30	55.4 Å²	55.4	21%	0.21	28%	0.276	C	S	.	.	H	α-helix	trans	-60.8	-51.4	174.4	-178.9	0	0	0	0	111.2	A42 S48 L49 E50	A42-S46 WeakPolarHBondContact O-CB 3.28Å; A42-S46 PolarHBondContact O-N 2.82Å; S46-S48 VanDerWaalsContact C-N 3.3Å; S46-S48 PolarHBondContact O-N 2.82Å; S46-L49 WeakPolarHBondContact O-CB 3.47Å; S46-L49 PolarHBondContact O-N 2.93Å; S46-E50 WeakPolarHBondContact O-CG 3.49Å; S46-E50 PolarHBondContact O-N 3Å
47	K	97.7	Very high	97.3	Very high	78 Å²	78	50.2 Å²	50.2	34%	0.339	26%	0.26	S	S	.	.	H	α-helix	trans	-61.2	-38.4	175.3	-67.9	173.9	-179.7	178.1	0	112.6	T17 L25 D43 K51	T17-K47 PolarHBondContact OG1-NZ 3.06Å; L25-K47 HydrophobicContact CD1-CB 3.91Å; D43-K47 WeakPolarHBondContact O-CG 3.39Å; D43-K47 PolarHBondContact O-N 2.91Å; K47-K51 PolarHBondContact O-N 3.47Å; K47-K51 VanDerWaalsContact O-N 3.12Å
48	S	98.2	Very high	97.4	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.4	-45.8	176.4	179.8	0	0	0	0	111.1	A22 L26 F44 F45 S46 K51 A52 H66	A22-S48 PolarHBondContact O-OG 3.37Å; L26-S48 WeakPolarHBondContact CB-OG 3.27Å; L26-S48 PolarHBondContact N-OG 3.48Å; F44-S48 WeakPolarHBondContact O-CB 3.41Å; F44-S48 PolarHBondContact O-N 3.11Å; F45-S48 WeakPolarHBondContact O-CB 3.36Å; F45-S48 PolarHBondContact O-N 3.48Å; S46-S48 VanDerWaalsContact C-N 3.3Å; S46-S48 PolarHBondContact O-N 2.82Å; S48-K51 PolarHBondContact O-N 3.04Å; S48-A52 VanDerWaalsContact O-CB 3.26Å; S48-A52 WeakPolarHBondContact O-CB 3.37Å; S48-A52 PolarHBondContact O-N 2.86Å; S48-H66 PolarHBondContact OG-CE1 3.42Å; S48-H66 PolarHBondContact OG-ND1 3.33Å
49	L	98.1	Very high	97.4	Very high	13 Å²	13	58.6 Å²	58.6	7%	0.068	30%	0.301	C	S	.	.	H	α-helix	trans	-63.8	-45.9	177.7	177.7	62.6	0	0	0	111.8	F45 S46 K51 A52 M53 L63 H66 F67 Y70	F45-L49 WeakPolarHBondContact O-CB 3.31Å; F45-L49 PolarHBondContact O-N 3Å; S46-L49 WeakPolarHBondContact O-CB 3.47Å; S46-L49 PolarHBondContact O-N 2.93Å; L49-K51 PolarHBondContact O-N 2.94Å; L49-A52 PolarHBondContact O-N 3.38Å; L49-M53 HydrophobicContact CD1-CG 4.21Å; L49-M53 HydrophobicContact CD1-SD 4.35Å; L49-M53 HydrophobicContact CG-SD 4.25Å; L49-M53 VanDerWaalsContact O-CG 3.29Å; L49-M53 WeakPolarHBondContact O-CG 3.31Å; L49-M53 PolarHBondContact O-N 2.98Å; L49-L63 HydrophobicContact CD1-CD2 4.34Å; L49-H66 HydrophobicContact CB-CB 4.18Å; L49-H66 HydrophobicContact CD1-CB 3.77Å; L49-F67 HydrophobicContact CD1-CD1 3.92Å; L49-F67 HydrophobicContact CD1-CD2 3.98Å; L49-F67 HydrophobicContact CD1-CE1 3.87Å; L49-F67 HydrophobicContact CD1-CE2 3.9Å; L49-F67 HydrophobicContact CD1-CG 3.98Å; L49-F67 HydrophobicContact CD1-CZ 3.85Å; L49-F67 HydrophobicContact CD2-CD1 3.58Å; L49-F67 HydrophobicContact CD2-CE1 3.55Å; L49-F67 HydrophobicContact CD2-CG 4.37Å; L49-F67 HydrophobicContact CD2-CZ 4.3Å; L49-F67 HydrophobicContact CG-CD1 4.41Å; L49-F67 HydrophobicContact CG-CE1 4.26Å; L49-Y70 HydrophobicContact CD2-CD1 4.05Å
50	E	98	Very high	97.6	Very high	121 Å²	121	58.5 Å²	58.5	57%	0.565	29%	0.289	S	S	*	.	H	α-helix	trans	-55	-50.6	175.9	-72.3	178.9	168.7	0	0	111.5	S46 M53 E54	S46-E50 WeakPolarHBondContact O-CG 3.49Å; S46-E50 PolarHBondContact O-N 3Å; E50-M53 PolarHBondContact O-N 3.45Å; E50-E54 PolarHBondContact O-N 2.84Å
51	K	98	Very high	97.6	Very high	56 Å²	56	56.9 Å²	56.9	24%	0.243	28%	0.283	C	S	.	.	H	α-helix	trans	-64.8	-41.5	177.1	-71.5	-168.2	-175.5	-114.7	0	112.4	E18 L20 A22 L25 K47 S48 L49 M53 E54 E55	E18-K51 PolarHBondContact O-NZ 3.11Å; L20-K51 VanDerWaalsContact O-CD 3.28Å; L20-K51 WeakPolarHBondContact O-CD 3.4Å; L20-K51 WeakPolarHBondContact O-CE 3.39Å; L20-K51 PolarHBondContact O-NZ 2.99Å; A22-K51 HydrophobicContact CB-CB 3.9Å; L25-K51 HydrophobicContact CD1-CD 3.62Å; L25-K51 HydrophobicContact CD1-CG 4.31Å; K47-K51 PolarHBondContact O-N 3.47Å; K47-K51 VanDerWaalsContact O-N 3.12Å; S48-K51 PolarHBondContact O-N 3.04Å; L49-K51 PolarHBondContact O-N 2.94Å; K51-M53 VanDerWaalsContact C-N 3.28Å; K51-M53 PolarHBondContact O-N 2.92Å; K51-E54 PolarHBondContact O-N 3.3Å; K51-E55 WeakPolarHBondContact O-CB 3.37Å; K51-E55 WeakPolarHBondContact O-CG 3.42Å; K51-E55 PolarHBondContact O-N 2.98Å
52	A	98.3	Very high	97.7	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-61.4	-39.3	178.2	0	0	0	0	0	111.2	A22 S48 L49 E54 E55 Y56 L63	A22-A52 HydrophobicContact CB-CB 3.91Å; S48-A52 VanDerWaalsContact O-CB 3.26Å; S48-A52 WeakPolarHBondContact O-CB 3.37Å; S48-A52 PolarHBondContact O-N 2.86Å; L49-A52 PolarHBondContact O-N 3.38Å; A52-E54 VanDerWaalsContact C-N 3.33Å; A52-E54 PolarHBondContact O-N 3.38Å; A52-E55 PolarHBondContact O-N 3.17Å; A52-Y56 HydrophobicContact CB-CD2 3.92Å; A52-Y56 HydrophobicContact CB-CE2 3.82Å; A52-Y56 VanDerWaalsContact O-CB 3.3Å; A52-Y56 WeakPolarHBondContact O-CB 3.27Å; A52-Y56 WeakPolarHBondContact O-CD2 3.49Å; A52-Y56 PolarHBondContact O-N 3.44Å; A52-L63 VanDerWaalsContact C-CD2 3.49Å; A52-L63 HydrophobicContact CB-CD2 3.46Å; A52-L63 VanDerWaalsContact CB-CD2 3.46Å
53	M	98.2	Very high	97.7	Very high	68 Å²	68	62.4 Å²	62.4	34%	0.335	30%	0.303	S	S	.	.	H	α-helix	trans	-64.7	-36.2	176.4	-72.6	179	73.4	0	0	112.3	L49 E50 K51 G57 K58 L63	L49-M53 HydrophobicContact CD1-CG 4.21Å; L49-M53 HydrophobicContact CD1-SD 4.35Å; L49-M53 HydrophobicContact CG-SD 4.25Å; L49-M53 VanDerWaalsContact O-CG 3.29Å; L49-M53 WeakPolarHBondContact O-CG 3.31Å; L49-M53 PolarHBondContact O-N 2.98Å; E50-M53 PolarHBondContact O-N 3.45Å; K51-M53 VanDerWaalsContact C-N 3.28Å; K51-M53 PolarHBondContact O-N 2.92Å; M53-G57 WeakPolarHBondContact O-CA 3.41Å; M53-G57 PolarHBondContact O-N 3.34Å; M53-G57 VanDerWaalsContact O-N 3.14Å; M53-K58 HydrophobicContact CE-CG 4.12Å; M53-L63 HydrophobicContact CG-CD1 3.96Å; M53-L63 HydrophobicContact CG-CD2 3.93Å
54	E	98	Very high	97.8	Very high	167 Å²	167	57.3 Å²	57.3	78%	0.78	28%	0.275	S	S	*	.	H	α-helix	trans	-69.8	-41.5	173.4	-67.9	-178.8	173.4	0	0	112.5	E50 K51 A52	E50-E54 PolarHBondContact O-N 2.84Å; K51-E54 PolarHBondContact O-N 3.3Å; A52-E54 VanDerWaalsContact C-N 3.33Å; A52-E54 PolarHBondContact O-N 3.38Å
55	E	97.6	Very high	97.8	Very high	101 Å²	101	59.6 Å²	59.6	47%	0.472	29%	0.286	S	S	.	.	H	α-helix	trans	-76.2	-40.6	-176.3	-72.5	-179.1	-157	0	0	113.2	A22 K51 A52	A22-E55 PolarHBondContact N-OE1 2.91Å; K51-E55 WeakPolarHBondContact O-CB 3.37Å; K51-E55 WeakPolarHBondContact O-CG 3.42Å; K51-E55 PolarHBondContact O-N 2.98Å; A52-E55 PolarHBondContact O-N 3.17Å
56	Y	97.2	Very high	97.8	Very high	49 Å²	49	59.8 Å²	59.8	19%	0.192	29%	0.287	C	S	.	.	H	α-helix	trans	-105.6	-25.3	-169.1	-50.4	-25.7	0	0	0	112.9	A52 R62 L63 H66	A52-Y56 HydrophobicContact CB-CD2 3.92Å; A52-Y56 HydrophobicContact CB-CE2 3.82Å; A52-Y56 VanDerWaalsContact O-CB 3.3Å; A52-Y56 WeakPolarHBondContact O-CB 3.27Å; A52-Y56 WeakPolarHBondContact O-CD2 3.49Å; A52-Y56 PolarHBondContact O-N 3.44Å; Y56-R62 VanDerWaalsContact CD1-NH2 3.34Å; Y56-R62 HydrophobicContact CD2-CB 3.8Å; Y56-R62 VanDerWaalsContact CE1-NH1 3.26Å; Y56-R62 HydrophobicContact CE2-CB 4Å; Y56-L63 HydrophobicContact CD2-CD2 4.26Å; Y56-H66 AromaticContact CE2-NE2 4Å
57	G	97.3	Very high	97.9	Very high	32 Å²	32	59 Å²	59	33%	0.33	28%	0.28	S	S	.	.			trans	88	159.5	-170.4	0	0	0	0	0	112.4	M53 D59 D60 L63	M53-G57 WeakPolarHBondContact O-CA 3.41Å; M53-G57 PolarHBondContact O-N 3.34Å; M53-G57 VanDerWaalsContact O-N 3.14Å; G57-D59 VanDerWaalsContact C-N 3.29Å; G57-D59 PolarHBondContact O-N 3.44Å; G57-D60 PolarHBondContact O-N 3.44Å; G57-L63 WeakPolarHBondContact O-CD1 3.45Å
58	K	96.9	Very high	97.9	Very high	153 Å²	153	55.8 Å²	55.8	67%	0.665	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-21.4	-164.7	-60.2	-173.3	178.1	-171.7	0	116	M53 L63	M53-K58 HydrophobicContact CE-CG 4.12Å; K58-L63 WeakPolarHBondContact O-CD1 3.42Å
59	D	96.7	Very high	97.9	Very high	103 Å²	103	57.6 Å²	57.6	55%	0.551	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.2	12.3	-173.9	-51.1	-48.3	0	0	0	112	G57	G57-D59 VanDerWaalsContact C-N 3.29Å; G57-D59 PolarHBondContact O-N 3.44Å
60	D	97.9	Very high	97.9	Very high	42 Å²	42	58.6 Å²	58.6	23%	0.225	28%	0.279	C	S	.	.			trans	-76.2	133	-179.6	-167.2	-65.4	0	0	0	111.2	G57 R62 L63	G57-D60 PolarHBondContact O-N 3.44Å; D60-R62 PolarHBondContact O-N 3.43Å; D60-R62 VanDerWaalsContact O-N 3.11Å; D60-R62 VanDerWaalsContact OD1-CB 3.28Å; D60-R62 WeakPolarHBondContact OD1-CB 3.42Å; D60-R62 WeakPolarHBondContact OD1-CG 3.42Å; D60-R62 IonicContact OD1-CZ 3.23Å; D60-R62 PolarHBondContact OD1-N 3.47Å; D60-R62 IonicContact OD1-NE 3.84Å; D60-R62 PolarHBondContact OD1-NE 3.24Å; D60-R62 IonicContact OD1-NH2 2.79Å; D60-R62 IonicContact OD2-CZ 2.85Å; D60-R62 IonicContact OD2-NE 2.79Å; D60-R62 PolarHBondContact OD2-NE 3.47Å; D60-R62 IonicContact OD2-NH2 3.76Å; D60-R62 PolarHBondContact OD2-NH2 3.35Å; D60-L63 VanDerWaalsContact O-CB 3.31Å; D60-L63 WeakPolarHBondContact O-CB 3.32Å; D60-L63 PolarHBondContact O-N 3.04Å
61	L	97.7	Very high	97.9	Very high	51 Å²	51	52.9 Å²	52.9	27%	0.267	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-29	-179	-176.2	65.9	0	0	0	113.3	L63 V64 L140 Q143 D150	L61-L63 PolarHBondContact O-N 3.2Å; L61-V64 HydrophobicContact CD1-CG2 4.11Å; L61-V64 WeakPolarHBondContact O-CB 3.48Å; L61-V64 VanDerWaalsContact O-CG2 3.24Å; L61-V64 WeakPolarHBondContact O-CG2 3.19Å; L61-V64 PolarHBondContact O-N 2.89Å; L61-L140 HydrophobicContact CD1-CD2 3.54Å; L61-L140 HydrophobicContact CD1-CG 4.44Å; L61-Q143 HydrophobicContact CD1-CG 4.36Å; L61-D150 WeakPolarHBondContact CD2-OD2 3.45Å
62	R	97.4	Very high	97.9	Very high	123 Å²	123	53.8 Å²	53.8	46%	0.464	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-29.4	177.4	-68.5	172.7	-72.9	169.2	-0.7	112.4	Y56 D60 V64 E65 H66	Y56-R62 VanDerWaalsContact CD1-NH2 3.34Å; Y56-R62 HydrophobicContact CD2-CB 3.8Å; Y56-R62 VanDerWaalsContact CE1-NH1 3.26Å; Y56-R62 HydrophobicContact CE2-CB 4Å; D60-R62 PolarHBondContact O-N 3.43Å; D60-R62 VanDerWaalsContact O-N 3.11Å; D60-R62 VanDerWaalsContact OD1-CB 3.28Å; D60-R62 WeakPolarHBondContact OD1-CB 3.42Å; D60-R62 WeakPolarHBondContact OD1-CG 3.42Å; D60-R62 IonicContact OD1-CZ 3.23Å; D60-R62 PolarHBondContact OD1-N 3.47Å; D60-R62 IonicContact OD1-NE 3.84Å; D60-R62 PolarHBondContact OD1-NE 3.24Å; D60-R62 IonicContact OD1-NH2 2.79Å; D60-R62 IonicContact OD2-CZ 2.85Å; D60-R62 IonicContact OD2-NE 2.79Å; D60-R62 PolarHBondContact OD2-NE 3.47Å; D60-R62 IonicContact OD2-NH2 3.76Å; D60-R62 PolarHBondContact OD2-NH2 3.35Å; R62-V64 PolarHBondContact O-N 2.99Å; R62-E65 PolarHBondContact O-N 3.29Å; R62-H66 PolarHBondContact O-CD2 2.85Å; R62-H66 VanDerWaalsContact O-CD2 3.32Å
63	L	98.3	Very high	97.9	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.9	-26.8	178.2	-67	-177.4	0	0	0	113.5	L49 A52 M53 Y56 G57 K58 D60 L61 E65 H66 F67 I139	L49-L63 HydrophobicContact CD1-CD2 4.34Å; A52-L63 VanDerWaalsContact C-CD2 3.49Å; A52-L63 HydrophobicContact CB-CD2 3.46Å; A52-L63 VanDerWaalsContact CB-CD2 3.46Å; M53-L63 HydrophobicContact CG-CD1 3.96Å; M53-L63 HydrophobicContact CG-CD2 3.93Å; Y56-L63 HydrophobicContact CD2-CD2 4.26Å; G57-L63 WeakPolarHBondContact O-CD1 3.45Å; K58-L63 WeakPolarHBondContact O-CD1 3.42Å; D60-L63 VanDerWaalsContact O-CB 3.31Å; D60-L63 WeakPolarHBondContact O-CB 3.32Å; D60-L63 PolarHBondContact O-N 3.04Å; L61-L63 PolarHBondContact O-N 3.2Å; L63-E65 PolarHBondContact O-N 2.82Å; L63-H66 PolarHBondContact O-N 3Å; L63-F67 HydrophobicContact CB-CD2 4.01Å; L63-F67 HydrophobicContact CB-CE2 3.93Å; L63-F67 HydrophobicContact CD1-CE2 4.33Å; L63-F67 VanDerWaalsContact O-CD2 3.25Å; L63-F67 WeakPolarHBondContact O-CD2 3.36Å; L63-F67 PolarHBondContact O-N 2.96Å; L63-I139 HydrophobicContact CB-CD1 4Å; L63-I139 HydrophobicContact CD1-CD1 4.4Å
64	V	98.3	Very high	97.9	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-54.7	-42	-178.6	178.4	0	0	0	0	110.7	L61 R62 C68 A136 I139 L140 R153 I157	L61-V64 HydrophobicContact CD1-CG2 4.11Å; L61-V64 WeakPolarHBondContact O-CB 3.48Å; L61-V64 VanDerWaalsContact O-CG2 3.24Å; L61-V64 WeakPolarHBondContact O-CG2 3.19Å; L61-V64 PolarHBondContact O-N 2.89Å; R62-V64 PolarHBondContact O-N 2.99Å; V64-C68 WeakPolarHBondContact O-CB 3.29Å; V64-C68 PolarHBondContact O-N 3.13Å; V64-C68 PolarHBondContact O-SG 3.3Å; V64-A136 HydrophobicContact CG1-CB 4.09Å; V64-I139 HydrophobicContact CG2-CB 3.93Å; V64-I139 HydrophobicContact CG2-CG2 3.59Å; V64-L140 HydrophobicContact CG1-CD1 3.85Å; V64-L140 HydrophobicContact CG1-CD2 4.48Å; V64-L140 HydrophobicContact CG1-CG 4.13Å; V64-L140 HydrophobicContact CG2-CD2 4.35Å; V64-L140 HydrophobicContact CG2-CG 4Å; V64-R153 VanDerWaalsContact CG1-CD 3.45Å; V64-R153 HydrophobicContact CG1-CG 4.24Å; V64-I157 HydrophobicContact CG1-CD1 3.95Å
65	E	98.2	Very high	97.7	Very high	64 Å²	64	44 Å²	44	30%	0.299	21%	0.21	S	C	.	.	H	α-helix	trans	-65.7	-42.1	179.3	-176.6	167.6	-178.1	0	0	112.2	L26 K30 R62 L63 C68 H69	L26-E65 HydrophobicContact CD2-CG 4.17Å; K30-E65 IonicContact NZ-OE1 3.13Å; K30-E65 PolarHBondContact NZ-OE1 3.16Å; R62-E65 PolarHBondContact O-N 3.29Å; L63-E65 PolarHBondContact O-N 2.82Å; E65-C68 PolarHBondContact O-N 3.34Å; E65-H69 WeakPolarHBondContact O-CB 3.39Å; E65-H69 PolarHBondContact O-CD2 2.86Å; E65-H69 VanDerWaalsContact O-CD2 3.27Å; E65-H69 PolarHBondContact O-N 2.84Å; E65-H69 IonicContact OE1-NE2 2.63Å
66	H	98.5	Very high	97.6	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.019	19%	0.192	C	C	.	.	H	α-helix	trans	-63.2	-47.4	177.3	-62.5	-92.4	0	0	0	111.5	S48 L49 Y56 R62 L63 C68 H69 Y70	S48-H66 PolarHBondContact OG-CE1 3.42Å; S48-H66 PolarHBondContact OG-ND1 3.33Å; L49-H66 HydrophobicContact CB-CB 4.18Å; L49-H66 HydrophobicContact CD1-CB 3.77Å; Y56-H66 AromaticContact CE2-NE2 4Å; R62-H66 PolarHBondContact O-CD2 2.85Å; R62-H66 VanDerWaalsContact O-CD2 3.32Å; L63-H66 PolarHBondContact O-N 3Å; H66-C68 PolarHBondContact O-N 3.18Å; H66-H69 PolarHBondContact O-N 2.84Å; H66-Y70 WeakPolarHBondContact O-CB 3.27Å; H66-Y70 PolarHBondContact O-N 3.09Å
67	F	98.5	Very high	97.5	Very high	13 Å²	13	38 Å²	38	6%	0.057	19%	0.187	C	C	.	.	H	α-helix	trans	-59	-47.1	175.6	-80.4	-64.1	0	0	0	112	L49 L63 H69 Y70 A71 C132 Y135 A136 I139	L49-F67 HydrophobicContact CD1-CD1 3.92Å; L49-F67 HydrophobicContact CD1-CD2 3.98Å; L49-F67 HydrophobicContact CD1-CE1 3.87Å; L49-F67 HydrophobicContact CD1-CE2 3.9Å; L49-F67 HydrophobicContact CD1-CG 3.98Å; L49-F67 HydrophobicContact CD1-CZ 3.85Å; L49-F67 HydrophobicContact CD2-CD1 3.58Å; L49-F67 HydrophobicContact CD2-CE1 3.55Å; L49-F67 HydrophobicContact CD2-CG 4.37Å; L49-F67 HydrophobicContact CD2-CZ 4.3Å; L49-F67 HydrophobicContact CG-CD1 4.41Å; L49-F67 HydrophobicContact CG-CE1 4.26Å; L63-F67 HydrophobicContact CB-CD2 4.01Å; L63-F67 HydrophobicContact CB-CE2 3.93Å; L63-F67 HydrophobicContact CD1-CE2 4.33Å; L63-F67 VanDerWaalsContact O-CD2 3.25Å; L63-F67 WeakPolarHBondContact O-CD2 3.36Å; L63-F67 PolarHBondContact O-N 2.96Å; F67-H69 PolarHBondContact O-N 2.83Å; F67-Y70 PolarHBondContact O-N 3.35Å; F67-A71 WeakPolarHBondContact O-CB 3.46Å; F67-A71 PolarHBondContact O-N 2.94Å; F67-C132 HydrophobicContact CB-CB 4.39Å; F67-C132 HydrophobicContact CD1-CB 3.86Å; F67-Y135 HydrophobicContact CE1-CD2 4.27Å; F67-Y135 HydrophobicContact CE1-CG 4.32Å; F67-Y135 HydrophobicContact CZ-CG 4.24Å; F67-A136 HydrophobicContact CB-CB 3.87Å; F67-I139 HydrophobicContact CD2-CD1 4.1Å; F67-I139 HydrophobicContact CE2-CD1 3.79Å
68	C	98.5	Very high	97.3	Very high	11 Å²	11	36.9 Å²	36.9	7%	0.074	17%	0.174	C	C	.	.	H	α-helix	trans	-63.3	-42.4	-179.9	-73.2	0	0	0	0	112.6	V64 E65 H66 K72 I157	V64-C68 WeakPolarHBondContact O-CB 3.29Å; V64-C68 PolarHBondContact O-N 3.13Å; V64-C68 PolarHBondContact O-SG 3.3Å; E65-C68 PolarHBondContact O-N 3.34Å; H66-C68 PolarHBondContact O-N 3.18Å; C68-K72 WeakPolarHBondContact O-CB 3.45Å; C68-K72 WeakPolarHBondContact O-CD 3.48Å; C68-K72 WeakPolarHBondContact O-CG 3.39Å; C68-K72 PolarHBondContact O-N 3.28Å; C68-I157 VanDerWaalsContact SG-CD1 3.58Å
69	H	98.6	Very high	97	Very high	39 Å²	39	33.8 Å²	33.8	18%	0.181	16%	0.162	C	C	.	.	H	α-helix	trans	-68.7	-39.9	178.2	-85.5	-66.9	0	0	0	112.4	L26 K30 F45 E65 H66 F67 K72 A73	L26-H69 HydrophobicContact CD1-CB 4.16Å; K30-H69 WeakPolarHBondContact CE-NE2 3.45Å; F45-H69 HydrophobicContact CD1-CB 3.9Å; F45-H69 HydrophobicContact CD2-CB 4.13Å; F45-H69 VanDerWaalsContact CD2-O 3.25Å; F45-H69 WeakPolarHBondContact CD2-O 3.33Å; F45-H69 HydrophobicContact CE1-CB 3.76Å; F45-H69 HydrophobicContact CE2-CB 4Å; F45-H69 WeakPolarHBondContact CE2-O 3.31Å; F45-H69 HydrophobicContact CG-CB 4.09Å; F45-H69 HydrophobicContact CZ-CB 3.8Å; F45-H69 AromaticContact CZ-ND1 3.99Å; E65-H69 WeakPolarHBondContact O-CB 3.39Å; E65-H69 PolarHBondContact O-CD2 2.86Å; E65-H69 VanDerWaalsContact O-CD2 3.27Å; E65-H69 PolarHBondContact O-N 2.84Å; E65-H69 IonicContact OE1-NE2 2.63Å; H66-H69 PolarHBondContact O-N 2.84Å; F67-H69 PolarHBondContact O-N 2.83Å; H69-K72 PolarHBondContact O-N 3.41Å; H69-A73 PolarHBondContact O-N 3.33Å
70	Y	98.5	Very high	96.7	Very high	34 Å²	34	33.1 Å²	33.1	13%	0.133	16%	0.158	C	C	.	.	H	α-helix	trans	-62.1	-50.4	175.5	-175.6	-148.3	0	0	0	111.4	A42 F45 L49 H66 F67 K72 A73 L74 I128 C132	A42-Y70 HydrophobicContact CB-CD2 4.38Å; A42-Y70 HydrophobicContact CB-CE2 4.14Å; A42-Y70 WeakPolarHBondContact O-CE2 3.38Å; F45-Y70 HydrophobicContact CB-CD2 4.06Å; F45-Y70 HydrophobicContact CB-CG 4.26Å; L49-Y70 HydrophobicContact CD2-CD1 4.05Å; H66-Y70 WeakPolarHBondContact O-CB 3.27Å; H66-Y70 PolarHBondContact O-N 3.09Å; F67-Y70 PolarHBondContact O-N 3.35Å; Y70-K72 VanDerWaalsContact C-N 3.32Å; Y70-K72 PolarHBondContact O-N 3.18Å; Y70-A73 PolarHBondContact O-N 2.9Å; Y70-A73 VanDerWaalsContact O-N 3.14Å; Y70-L74 HydrophobicContact CD1-CD1 4.48Å; Y70-L74 HydrophobicContact CD2-CD1 4.1Å; Y70-L74 HydrophobicContact CD2-CG 4.07Å; Y70-L74 HydrophobicContact CE1-CD1 4.15Å; Y70-L74 HydrophobicContact CE2-CD1 3.73Å; Y70-L74 HydrophobicContact CE2-CD2 3.85Å; Y70-L74 HydrophobicContact CE2-CG 3.75Å; Y70-L74 HydrophobicContact CG-CD1 4.46Å; Y70-L74 WeakPolarHBondContact O-CG 3.49Å; Y70-L74 PolarHBondContact O-N 2.97Å; Y70-I128 HydrophobicContact CE1-CG2 3.87Å; Y70-C132 VanDerWaalsContact CD1-SG 3.56Å
71	A	98.2	Very high	96.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-57	-43.6	176.4	0	0	0	0	0	112.5	F67 A73 L74 I75 A129 C132 L133	F67-A71 WeakPolarHBondContact O-CB 3.46Å; F67-A71 PolarHBondContact O-N 2.94Å; A71-A73 VanDerWaalsContact C-N 3.35Å; A71-A73 PolarHBondContact O-N 3.32Å; A71-L74 PolarHBondContact O-N 3.34Å; A71-I75 WeakPolarHBondContact O-CD1 3.24Å; A71-I75 VanDerWaalsContact O-CG1 3.27Å; A71-I75 WeakPolarHBondContact O-CG1 3.15Å; A71-I75 PolarHBondContact O-N 3.16Å; A71-A129 HydrophobicContact CB-CB 4.09Å; A71-A129 WeakPolarHBondContact CB-O 3.38Å; A71-C132 HydrophobicContact CB-CB 3.98Å; A71-L133 HydrophobicContact CB-CD1 4.34Å; A71-L133 HydrophobicContact CB-CD2 3.97Å; A71-L133 HydrophobicContact CB-CG 3.75Å
72	K	97.9	Very high	94.9	Very high	75 Å²	75	39.6 Å²	39.6	33%	0.326	19%	0.186	S	C	.	.	H	α-helix	trans	-61.6	-40.5	177.2	-76.9	171.1	-177.7	-179.1	0	112.5	F33 C68 H69 Y70 A76 Q160	F33-K72 HydrophobicContact CE2-CB 4.29Å; F33-K72 HydrophobicContact CZ-CB 4.45Å; C68-K72 WeakPolarHBondContact O-CB 3.45Å; C68-K72 WeakPolarHBondContact O-CD 3.48Å; C68-K72 WeakPolarHBondContact O-CG 3.39Å; C68-K72 PolarHBondContact O-N 3.28Å; H69-K72 PolarHBondContact O-N 3.41Å; Y70-K72 VanDerWaalsContact C-N 3.32Å; Y70-K72 PolarHBondContact O-N 3.18Å; K72-A76 VanDerWaalsContact O-CB 3.26Å; K72-A76 WeakPolarHBondContact O-CB 3.26Å; K72-A76 PolarHBondContact O-N 3.28Å; K72-Q160 VanDerWaalsContact CE-NE2 3.26Å
73	A	97.9	Very high	93.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-66.6	-41.1	177.8	0	0	0	0	0	112.4	F33 A41 A42 F45 H69 Y70 A71 A76 A77	F33-A73 HydrophobicContact CD2-CB 4.08Å; F33-A73 HydrophobicContact CE2-CB 4.35Å; A41-A73 HydrophobicContact CB-CB 4.2Å; A42-A73 HydrophobicContact CB-CB 3.92Å; F45-A73 HydrophobicContact CD2-CB 3.6Å; F45-A73 HydrophobicContact CE2-CB 3.84Å; H69-A73 PolarHBondContact O-N 3.33Å; Y70-A73 PolarHBondContact O-N 2.9Å; Y70-A73 VanDerWaalsContact O-N 3.14Å; A71-A73 VanDerWaalsContact C-N 3.35Å; A71-A73 PolarHBondContact O-N 3.32Å; A73-A76 PolarHBondContact O-N 3.47Å; A73-A77 VanDerWaalsContact O-CB 3.24Å; A73-A77 WeakPolarHBondContact O-CB 3.21Å; A73-A77 PolarHBondContact O-N 3.18Å
74	L	97.1	Very high	91.7	Very high	6 Å²	6	43.7 Å²	43.7	3%	0.031	23%	0.226	C	C	.	.	H	α-helix	trans	-61.7	-49.4	175.5	-68	172.3	0	0	0	111.5	A42 Y70 A71 A76 A77 E78 D125 I128 A129	A42-L74 HydrophobicContact CB-CD2 4.07Å; Y70-L74 HydrophobicContact CD1-CD1 4.48Å; Y70-L74 HydrophobicContact CD2-CD1 4.1Å; Y70-L74 HydrophobicContact CD2-CG 4.07Å; Y70-L74 HydrophobicContact CE1-CD1 4.15Å; Y70-L74 HydrophobicContact CE2-CD1 3.73Å; Y70-L74 HydrophobicContact CE2-CD2 3.85Å; Y70-L74 HydrophobicContact CE2-CG 3.75Å; Y70-L74 HydrophobicContact CG-CD1 4.46Å; Y70-L74 WeakPolarHBondContact O-CG 3.49Å; Y70-L74 PolarHBondContact O-N 2.97Å; A71-L74 PolarHBondContact O-N 3.34Å; L74-A76 VanDerWaalsContact C-N 3.34Å; L74-A76 PolarHBondContact O-N 2.93Å; L74-A77 PolarHBondContact O-N 3.21Å; L74-E78 PolarHBondContact O-N 3.1Å; L74-D125 HydrophobicContact CB-CB 4.48Å; L74-D125 HydrophobicContact CD2-CB 4.22Å; L74-I128 HydrophobicContact CD1-CB 3.96Å; L74-I128 HydrophobicContact CD1-CG2 3.56Å; L74-A129 HydrophobicContact CB-CB 4.02Å; L74-A129 HydrophobicContact CD1-CB 4.14Å
75	I	95.4	Very high	89.5	Confident	24 Å²	24	49.6 Å²	49.6	12%	0.123	26%	0.262	C	S	.	.	H	α-helix	trans	-60.2	-44.6	178.1	-65	162.1	0	0	0	110.9	A71 E78 E79 A129 I164	A71-I75 WeakPolarHBondContact O-CD1 3.24Å; A71-I75 VanDerWaalsContact O-CG1 3.27Å; A71-I75 WeakPolarHBondContact O-CG1 3.15Å; A71-I75 PolarHBondContact O-N 3.16Å; I75-E78 WeakPolarHBondContact O-CB 3.43Å; I75-E78 PolarHBondContact O-N 3.02Å; I75-E79 HydrophobicContact CG2-CG 4.41Å; I75-E79 WeakPolarHBondContact O-CG 3.25Å; I75-E79 PolarHBondContact O-N 3.11Å; I75-A129 HydrophobicContact CD1-CB 4.19Å; I75-A129 HydrophobicContact CG1-CB 3.85Å; I75-I164 HydrophobicContact CD1-CD1 3.9Å; I75-I164 HydrophobicContact CD1-CG1 4.35Å
76	A	95.4	Very high	87.6	Confident	11 Å²	11	50.6 Å²	50.6	9%	0.091	28%	0.276	C	S	.	.	H	α-helix	trans	-68.4	-34.9	179.5	0	0	0	0	0	112.6	F33 F38 K72 A73 L74 E78 N80	F33-A76 HydrophobicContact CE2-CB 3.96Å; F33-A76 HydrophobicContact CZ-CB 4.26Å; F38-A76 HydrophobicContact CB-CB 4.41Å; F38-A76 HydrophobicContact CD1-CB 3.83Å; F38-A76 HydrophobicContact CD2-CB 3.68Å; F38-A76 VanDerWaalsContact CD2-O 3.29Å; F38-A76 WeakPolarHBondContact CD2-O 3.49Å; F38-A76 HydrophobicContact CE1-CB 3.94Å; F38-A76 HydrophobicContact CE2-CB 3.74Å; F38-A76 HydrophobicContact CG-CB 3.73Å; F38-A76 HydrophobicContact CZ-CB 3.91Å; K72-A76 VanDerWaalsContact O-CB 3.26Å; K72-A76 WeakPolarHBondContact O-CB 3.26Å; K72-A76 PolarHBondContact O-N 3.28Å; A73-A76 PolarHBondContact O-N 3.47Å; L74-A76 VanDerWaalsContact C-N 3.34Å; L74-A76 PolarHBondContact O-N 2.93Å; A76-E78 VanDerWaalsContact C-N 3.33Å; A76-N80 WeakPolarHBondContact O-CB 3.38Å; A76-N80 PolarHBondContact O-N 3.39Å
77	A	94.5	Very high	85.2	Confident	12 Å²	12	57.8 Å²	57.8	10%	0.099	32%	0.315	C	S	.	.	H	α-helix	trans	-66.1	-36.5	175.2	0	0	0	0	0	112	F38 A73 L74 Q81	F38-A77 HydrophobicContact CB-CB 3.77Å; A73-A77 VanDerWaalsContact O-CB 3.24Å; A73-A77 WeakPolarHBondContact O-CB 3.21Å; A73-A77 PolarHBondContact O-N 3.18Å; L74-A77 PolarHBondContact O-N 3.21Å; A77-Q81 WeakPolarHBondContact O-CG 3.29Å; A77-Q81 PolarHBondContact O-NE2 3.5Å; A77-Q81 VanDerWaalsContact O-NE2 3.09Å
78	E	92.6	Very high	83.1	Confident	9 Å²	9	60.9 Å²	60.9	4%	0.042	34%	0.338	C	S	.	.	H	α-helix	trans	-67.1	-52.6	173.6	-172	-177.5	-167.1	0	0	110.8	L74 I75 A76 N80 Q81 R126	L74-E78 PolarHBondContact O-N 3.1Å; I75-E78 WeakPolarHBondContact O-CB 3.43Å; I75-E78 PolarHBondContact O-N 3.02Å; A76-E78 VanDerWaalsContact C-N 3.33Å; E78-N80 VanDerWaalsContact C-N 3.25Å; E78-N80 PolarHBondContact O-N 3Å; E78-Q81 PolarHBondContact O-N 3.09Å; E78-R126 VanDerWaalsContact CD-NH2 3.3Å; E78-R126 IonicContact OE1-CZ 3.67Å; E78-R126 IonicContact OE1-NE 2.7Å; E78-R126 PolarHBondContact OE1-NE 2.89Å; E78-R126 IonicContact OE1-NH2 2.73Å; E78-R126 PolarHBondContact OE1-NH2 2.89Å; E78-R126 IonicContact OE2-CZ 3.41Å; E78-R126 IonicContact OE2-NE 3.93Å; E78-R126 PolarHBondContact OE2-NE 3.35Å; E78-R126 VanDerWaalsContact OE2-NE 3.09Å; E78-R126 IonicContact OE2-NH2 2.9Å
79	E	91.4	Very high	80.8	Confident	88 Å²	88	66.1 Å²	66.1	41%	0.411	37%	0.372	S	S	.	.	H	α-helix	trans	-60.6	-31	-179.5	-71.8	176.9	166.7	0	0	113.5	I75 Q81 K167	I75-E79 HydrophobicContact CG2-CG 4.41Å; I75-E79 WeakPolarHBondContact O-CG 3.25Å; I75-E79 PolarHBondContact O-N 3.11Å; E79-Q81 VanDerWaalsContact C-N 3.33Å; E79-K167 IonicContact OE1-NZ 3.13Å; E79-K167 PolarHBondContact OE1-NZ 3.27Å
80	N	90.2	Very high	78.6	Confident	90 Å²	90	72.2 Å²	72.2	48%	0.481	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-18.9	177.9	-95.5	13.2	0	0	0	114.2	F38 A76 E78	F38-N80 HydrophobicContact CD2-CB 4.18Å; F38-N80 WeakPolarHBondContact CD2-ND2 3.4Å; F38-N80 HydrophobicContact CE2-CB 4.43Å; F38-N80 VanDerWaalsContact CE2-CG 3.45Å; F38-N80 WeakPolarHBondContact CE2-ND2 3.37Å; A76-N80 WeakPolarHBondContact O-CB 3.38Å; A76-N80 PolarHBondContact O-N 3.39Å; E78-N80 VanDerWaalsContact C-N 3.25Å; E78-N80 PolarHBondContact O-N 3Å
81	Q	84.4	Confident	76.4	Confident	109 Å²	109	79.2 Å²	79.2	51%	0.509	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-26.3	177.6	-69.8	174.7	55.6	0	0	111.8	A77 E78 E79 V83	A77-Q81 WeakPolarHBondContact O-CG 3.29Å; A77-Q81 PolarHBondContact O-NE2 3.5Å; A77-Q81 VanDerWaalsContact O-NE2 3.09Å; E78-Q81 PolarHBondContact O-N 3.09Å; E79-Q81 VanDerWaalsContact C-N 3.33Å; Q81-V83 PolarHBondContact O-N 3.27Å
82	E	73.1	Confident	73.8	Confident	119 Å²	119	84 Å²	84	56%	0.556	48%	0.478	S	S	*	.	S	Bend	trans	-73.7	0.4	-177.9	-68.3	-171.7	176.4	0	0	114.9	P84	E82-P84 VanDerWaalsContact C-CD 3.47Å; E82-P84 WeakPolarHBondContact O-CD 3.45Å
83	V	69.4	Low	71.3	Confident	104 Å²	104	86.7 Å²	86.7	63%	0.63	51%	0.505	S	S	*	.			trans	-88.7	91.9	172.5	-173.4	0	0	0	0	108.7	Q81 T85	Q81-V83 PolarHBondContact O-N 3.27Å; V83-T85 PolarHBondContact O-N 3.46Å
84	P	58.9	Low	68.7	Low	105 Å²	105	93.9 Å²	93.9	68%	0.682	54%	0.543	S	S	*	.			trans	-60.1	118.1	165.6	26.7	-33	0	0	0	106.2	E82 S86	E82-P84 VanDerWaalsContact C-CD 3.47Å; E82-P84 WeakPolarHBondContact O-CD 3.45Å; P84-S86 PolarHBondContact O-N 3.48Å
85	T	53.2	Low	66	Low	124 Å²	124	101.1 Å²	101.1	76%	0.761	58%	0.582	S	S	*	*			trans	-65	69.3	163.8	50.2	0	0	0	0	108.1	V83 D87	V83-T85 PolarHBondContact O-N 3.46Å; T85-D87 PolarHBondContact O-N 3.46Å
86	S	57.2	Low	63.4	Low	85 Å²	85	107.3 Å²	107.3	59%	0.594	62%	0.615	S	S	*	*			trans	-74.4	83	167.5	-176.7	0	0	0	0	106.1	P84 S88	P84-S86 PolarHBondContact O-N 3.48Å; S86-S88 PolarHBondContact O-N 3.31Å; S86-S88 PolarHBondContact OG-OG 3.05Å
87	D	47.5	Very low	60.8	Low	155 Å²	155	114.3 Å²	114.3	83%	0.829	65%	0.65	S	S	*	*			trans	-69	38.8	167.6	-82.1	-24.5	0	0	0	111.2	T85 P89	T85-D87 PolarHBondContact O-N 3.46Å; D87-P89 WeakPolarHBondContact O-CD 3.49Å
88	S	55	Low	58.4	Low	79 Å²	79	119.3 Å²	119.3	55%	0.552	68%	0.679	S	S	*	*			trans	-87.6	117	172.5	-58.4	0	0	0	0	107.7	S86 I90	S86-S88 PolarHBondContact O-N 3.31Å; S86-S88 PolarHBondContact OG-OG 3.05Å; S88-I90 PolarHBondContact O-N 3.32Å
89	P	50.1	Low	56.1	Low	121 Å²	121	123.6 Å²	123.6	79%	0.786	72%	0.716	S	S	*	*			trans	-58.5	114.2	177	-18.5	29.9	0	0	0	109.2	D87 E91	D87-P89 WeakPolarHBondContact O-CD 3.49Å; P89-E91 PolarHBondContact O-N 3Å
90	I	52.2	Low	53.9	Low	167 Å²	167	123.3 Å²	123.3	86%	0.856	72%	0.72	S	S	*	*			trans	-66.7	99.8	170.1	-60.9	173.2	0	0	0	106.1	S88 A92	S88-I90 PolarHBondContact O-N 3.32Å; I90-A92 PolarHBondContact O-N 3.11Å
91	E	52.1	Low	51.8	Low	180 Å²	180	127.2 Å²	127.2	84%	0.841	73%	0.728	S	S	*	*			trans	-59.8	122.5	166.3	-83.5	-173.9	152.6	0	0	108.2	P89 C93	P89-E91 PolarHBondContact O-N 3Å; E91-C93 PolarHBondContact O-N 3.45Å; E91-C93 VanDerWaalsContact O-N 3.09Å
92	A	45.1	Very low	49.7	Very low	100 Å²	100	126.5 Å²	126.5	83%	0.826	73%	0.728	S	S	*	*			trans	-57.5	109.7	-177.7	0	0	0	0	0	111	I90	I90-A92 PolarHBondContact O-N 3.11Å
93	C	44.2	Very low	48.6	Very low	132 Å²	132	124.3 Å²	124.3	89%	0.892	72%	0.718	S	S	*	*			trans	-102.8	119.9	163.8	-101.8	0	0	0	0	108.8	E91	E91-C93 PolarHBondContact O-N 3.45Å; E91-C93 VanDerWaalsContact O-N 3.09Å
94	D	44.1	Very low	47.4	Very low	152 Å²	152	126.4 Å²	126.4	81%	0.813	72%	0.721	S	S	*	*			trans	-53.8	139.8	-174.6	-83.3	-45.7	0	0	0	115.3	D96	D94-D96 PolarHBondContact O-N 3.02Å
95	D	40.9	Very low	46.8	Very low	158 Å²	158	127.3 Å²	127.3	85%	0.845	72%	0.716	S	S	*	*			trans	-0	103.6	139.6	-76.8	-29.8	0	0	0	116.4
96	D	40.2	Very low	46.2	Very low	153 Å²	153	125.8 Å²	125.8	82%	0.818	71%	0.71	S	S	*	*				169.6	102.2	116.9	-138.3	-12.7	0	0	0	107.2	D94	D94-D96 PolarHBondContact O-N 3.02Å
97	L	40.9	Very low	45.7	Very low	159 Å²	159	130.5 Å²	130.5	83%	0.832	72%	0.723	S	S	*	*	S	Bend	trans	163.6	119.5	150.3	-88.8	160.2	0	0	0	109.6	A99	L97-A99 PolarHBondContact O-N 3.03Å
98	V	44.6	Very low	45.6	Very low	116 Å²	116	130.7 Å²	130.7	70%	0.703	72%	0.719	S	S	*	*			trans	20.6	96.4	154.2	-166.3	0	0	0	0	112.9	V100	V98-V100 HydrophobicContact CG1-CG2 3.92Å; V98-V100 PolarHBondContact O-N 3.43Å
99	A	43.2	Very low	45.1	Very low	100 Å²	100	133.3 Å²	133.3	83%	0.826	73%	0.731	S	S	*	*			trans	-59	79.7	159.8	0	0	0	0	0	108.2	L97 R101	L97-A99 PolarHBondContact O-N 3.03Å; A99-R101 PolarHBondContact O-N 3.42Å
100	V	45	Very low	45.2	Very low	81 Å²	81	132 Å²	132	49%	0.491	73%	0.725	S	S	.	*			trans	-62.7	88.8	150.9	-178.3	0	0	0	0	102	V98 N102	V98-V100 HydrophobicContact CG1-CG2 3.92Å; V98-V100 PolarHBondContact O-N 3.43Å; V100-N102 PolarHBondContact O-N 3.43Å
101	R	46.2	Very low	45	Very low	173 Å²	173	131.5 Å²	131.5	65%	0.653	72%	0.724	S	S	*	*			trans	-55.7	94.3	160.6	-174.5	176.7	-177.1	-178.8	-2	103.4	A99 E103 D259	A99-R101 PolarHBondContact O-N 3.42Å; R101-E103 PolarHBondContact O-N 2.96Å; R101-D259 IonicContact NH1-OD1 3.72Å
102	N	41.2	Very low	44.8	Very low	94 Å²	94	133.5 Å²	133.5	50%	0.503	72%	0.724	S	S	.	*			trans	-72.7	81.2	-174.5	-146.4	25.9	0	0	0	104.8	V100 Q104	V100-N102 PolarHBondContact O-N 3.43Å; N102-Q104 CarbonylContact O-C 3.53Å; N102-Q104 PolarHBondContact O-N 3.48Å; N102-Q104 WeakPolarHBondContact OD1-CB 3.31Å
103	E	48.7	Very low	44.8	Very low	73 Å²	73	133.6 Å²	133.6	34%	0.341	72%	0.719	S	S	.	*			trans	-66.5	-2.8	161	-69.3	-170.7	169	0	0	110.6	R101 E105 R267	R101-E103 PolarHBondContact O-N 2.96Å; E103-E105 PolarHBondContact O-N 3.46Å; E103-R267 IonicContact OE2-NH2 3.96Å
104	Q	44.5	Very low	45.1	Very low	147 Å²	147	132.7 Å²	132.7	69%	0.687	71%	0.714	S	S	*	*	S	Bend	trans	-68.4	86.7	153.3	-149.2	169.9	1.6	0	0	105.9	N102 S106	N102-Q104 CarbonylContact O-C 3.53Å; N102-Q104 PolarHBondContact O-N 3.48Å; N102-Q104 WeakPolarHBondContact OD1-CB 3.31Å; Q104-S106 PolarHBondContact O-N 2.9Å
105	E	46.3	Very low	45.6	Very low	125 Å²	125	131.2 Å²	131.2	58%	0.584	71%	0.706	S	S	*	*			trans	-23.7	109.6	159.5	-78.3	163.7	178.9	0	0	107.4	E103 E107	E103-E105 PolarHBondContact O-N 3.46Å; E105-E107 PolarHBondContact O-N 3.08Å
106	S	41.1	Very low	46.6	Very low	92 Å²	92	129.9 Å²	129.9	64%	0.643	70%	0.698	S	S	*	*			trans	-60.7	100	172.7	178.2	0	0	0	0	104.7	Q104 E108	Q104-S106 PolarHBondContact O-N 2.9Å; S106-E108 PolarHBondContact O-N 3.14Å
107	E	46.3	Very low	47.9	Very low	183 Å²	183	129.6 Å²	129.6	86%	0.855	69%	0.692	S	S	*	*			trans	-60.6	66	156.1	-70.4	-177.1	170.7	0	0	106.7	E105 V109	E105-E107 PolarHBondContact O-N 3.08Å; E107-V109 VanDerWaalsContact C-N 3.34Å; E107-V109 PolarHBondContact O-N 2.9Å
108	E	45.5	Very low	48.9	Very low	160 Å²	160	124.2 Å²	124.2	75%	0.748	67%	0.668	S	S	*	*			trans	-70.8	102	171.8	-158.8	175.3	-167.7	0	0	104.1	S106 S110	S106-E108 PolarHBondContact O-N 3.14Å; E108-S110 PolarHBondContact O-N 3.34Å
109	V	45.2	Very low	49.8	Very low	133 Å²	133	123.9 Å²	123.9	81%	0.806	66%	0.662	S	S	*	*			trans	-62.3	76.6	176.5	-170.1	0	0	0	0	107.8	E107 N111	E107-V109 VanDerWaalsContact C-N 3.34Å; E107-V109 PolarHBondContact O-N 2.9Å; V109-N111 VanDerWaalsContact C-N 3.26Å; V109-N111 PolarHBondContact O-N 3.44Å
110	S	52.9	Low	51.2	Low	95 Å²	95	123.8 Å²	123.8	66%	0.664	65%	0.645	S	S	*	*			trans	-71.2	90	175.6	-175.3	0	0	0	0	107.2	E108 R112	E108-S110 PolarHBondContact O-N 3.34Å; S110-R112 PolarHBondContact O-N 3Å
111	N	46	Very low	52.4	Low	156 Å²	156	122.3 Å²	122.3	83%	0.834	64%	0.641	S	S	*	*			trans	-74.8	70.1	173.1	-156.8	12.5	0	0	0	108.5	V109	V109-N111 VanDerWaalsContact C-N 3.26Å; V109-N111 PolarHBondContact O-N 3.44Å
112	R	48.4	Very low	53.3	Low	222 Å²	222	116 Å²	116	84%	0.838	62%	0.619	S	S	*	*			trans	-119.3	91.5	167.7	-80.3	-169.4	173.6	-178.3	2.2	109.2	S110 S114	S110-R112 PolarHBondContact O-N 3Å; R112-S114 PolarHBondContact O-N 3.41Å
113	S	45.5	Very low	55	Low	102 Å²	102	113.9 Å²	113.9	71%	0.713	61%	0.614	S	S	*	*			trans	-41.9	130.3	160.8	54	0	0	0	0	112.9
114	S	51.5	Low	56.9	Low	113 Å²	113	117.2 Å²	117.2	79%	0.79	62%	0.624	S	S	*	*			trans	92.3	60.1	150.9	-26.1	0	0	0	0	118.2	R112	R112-S114 PolarHBondContact O-N 3.41Å
115	D	54.5	Low	59.2	Low	120 Å²	120	112.4 Å²	112.4	64%	0.642	60%	0.603	S	S	*	*			trans	-144.6	64.3	142.2	-141.9	-2.4	0	0	0	111.1	E117 S118	D115-E117 PolarHBondContact O-N 3.32Å; D115-S118 PolarHBondContact O-N 3.02Å; D115-S118 VanDerWaalsContact O-N 3.16Å
116	D	61.8	Low	61.4	Low	130 Å²	130	109.3 Å²	109.3	70%	0.695	59%	0.586	S	S	*	*	H	α-helix	trans	-59.6	-11	-177.8	-157.6	26.3	0	0	0	113.5
117	E	66.1	Low	64	Low	147 Å²	147	110.8 Å²	110.8	69%	0.687	58%	0.583	S	S	*	*	H	α-helix	trans	-88.6	-20.6	179.3	-62	-80.4	163.1	0	0	112.8	D115	D115-E117 PolarHBondContact O-N 3.32Å
118	S	62	Low	66.4	Low	46 Å²	46	104.9 Å²	104.9	32%	0.322	56%	0.556	S	S	.	*	H	α-helix	trans	-73.2	-47.9	179.2	-161.2	0	0	0	0	110.9	D115 E120 A121 E122	D115-S118 PolarHBondContact O-N 3.02Å; D115-S118 VanDerWaalsContact O-N 3.16Å; S118-E120 PolarHBondContact O-N 3.44Å; S118-A121 PolarHBondContact O-N 3.28Å; S118-E122 PolarHBondContact O-N 3.38Å; S118-E122 VanDerWaalsContact O-N 3.14Å; S118-E122 PolarHBondContact OG-OE1 3.47Å
119	D	63.5	Low	68.8	Low	109 Å²	109	97.3 Å²	97.3	58%	0.583	52%	0.521	S	S	*	.	H	α-helix	trans	-60.2	-32.9	-179.6	-62.7	2.2	0	0	0	111.7	A123	D119-A123 WeakPolarHBondContact O-CB 3.38Å; D119-A123 PolarHBondContact O-N 2.89Å
120	E	72.4	Confident	71.3	Confident	98 Å²	98	92.7 Å²	92.7	46%	0.458	49%	0.493	S	S	.	.	H	α-helix	trans	-71	-30.5	176	-79.5	-158.8	-171.1	0	0	113.7	S118 R124	S118-E120 PolarHBondContact O-N 3.44Å; E120-R124 WeakPolarHBondContact O-CD 3.4Å; E120-R124 VanDerWaalsContact O-CG 3.3Å; E120-R124 WeakPolarHBondContact O-CG 3.43Å; E120-R124 PolarHBondContact O-NE 2.73Å; E120-R124 IonicContact OE2-NH2 3.36Å; E120-R124 PolarHBondContact OE2-NH2 2.7Å; E120-R124 VanDerWaalsContact OE2-NH2 3.09Å
121	A	70.4	Confident	73.5	Confident	51 Å²	51	93.6 Å²	93.6	42%	0.421	49%	0.487	S	S	.	.	H	α-helix	trans	-77.5	-44	179	0	0	0	0	0	111	S118 A123 R124 D125	S118-A121 PolarHBondContact O-N 3.28Å; A121-A123 PolarHBondContact O-N 3.04Å; A121-R124 WeakPolarHBondContact O-CB 3.33Å; A121-R124 PolarHBondContact O-N 3.4Å; A121-R124 VanDerWaalsContact O-N 3.07Å; A121-D125 PolarHBondContact O-N 2.76Å
122	E	66	Low	76	Confident	41 Å²	41	86.6 Å²	86.6	19%	0.192	45%	0.45	C	S	.	.	H	α-helix	trans	-60.6	-44.5	179	-69.7	170.6	-156.7	0	0	111.9	S118 R124 D125 R126	S118-E122 PolarHBondContact O-N 3.38Å; S118-E122 VanDerWaalsContact O-N 3.14Å; S118-E122 PolarHBondContact OG-OE1 3.47Å; E122-R124 PolarHBondContact O-N 3.09Å; E122-D125 PolarHBondContact O-N 3.04Å; E122-D125 VanDerWaalsContact O-N 3.15Å; E122-R126 PolarHBondContact O-N 3.36Å
123	A	75.9	Confident	78.4	Confident	48 Å²	48	76 Å²	76	40%	0.397	41%	0.41	S	S	.	.	H	α-helix	trans	-56.8	-34	175.7	0	0	0	0	0	112.5	D119 A121 E127	D119-A123 WeakPolarHBondContact O-CB 3.38Å; D119-A123 PolarHBondContact O-N 2.89Å; A121-A123 PolarHBondContact O-N 3.04Å; A123-E127 VanDerWaalsContact O-CG 3.28Å; A123-E127 WeakPolarHBondContact O-CG 3.37Å; A123-E127 PolarHBondContact O-N 2.79Å
124	R	89.3	Confident	80.9	Confident	143 Å²	143	73.9 Å²	73.9	54%	0.54	39%	0.39	S	S	.	.	H	α-helix	trans	-73.6	-39.1	178.8	-67.4	173.2	-163.3	178.7	9.9	112.2	E120 A121 E122 R126 E127 I128	E120-R124 WeakPolarHBondContact O-CD 3.4Å; E120-R124 VanDerWaalsContact O-CG 3.3Å; E120-R124 WeakPolarHBondContact O-CG 3.43Å; E120-R124 PolarHBondContact O-NE 2.73Å; E120-R124 IonicContact OE2-NH2 3.36Å; E120-R124 PolarHBondContact OE2-NH2 2.7Å; E120-R124 VanDerWaalsContact OE2-NH2 3.09Å; A121-R124 WeakPolarHBondContact O-CB 3.33Å; A121-R124 PolarHBondContact O-N 3.4Å; A121-R124 VanDerWaalsContact O-N 3.07Å; E122-R124 PolarHBondContact O-N 3.09Å; R124-R126 PolarHBondContact O-N 3.45Å; R124-E127 PolarHBondContact O-N 3.18Å; R124-I128 WeakPolarHBondContact O-CD1 3.38Å; R124-I128 VanDerWaalsContact O-CG1 3.24Å; R124-I128 WeakPolarHBondContact O-CG1 3.41Å; R124-I128 PolarHBondContact O-N 3.49Å
125	D	92.5	Very high	83.1	Confident	47 Å²	47	74.8 Å²	74.8	25%	0.251	38%	0.377	S	S	.	.	H	α-helix	trans	-65.1	-41.1	-179.4	-77.3	-8.8	0	0	0	111.5	L74 A121 E122 I128 A129	L74-D125 HydrophobicContact CB-CB 4.48Å; L74-D125 HydrophobicContact CD2-CB 4.22Å; A121-D125 PolarHBondContact O-N 2.76Å; E122-D125 PolarHBondContact O-N 3.04Å; E122-D125 VanDerWaalsContact O-N 3.15Å; D125-I128 PolarHBondContact O-N 3.38Å; D125-A129 WeakPolarHBondContact O-CB 3.47Å; D125-A129 PolarHBondContact O-N 2.92Å
126	R	93.1	Very high	85.2	Confident	59 Å²	59	69.1 Å²	69.1	22%	0.223	35%	0.347	C	S	.	.	H	α-helix	trans	-64.5	-41.1	175.1	-167.8	179.5	-65.3	175.1	-2.2	112.6	E78 E122 R124 A129 T130 I164	E78-R126 VanDerWaalsContact CD-NH2 3.3Å; E78-R126 IonicContact OE1-CZ 3.67Å; E78-R126 IonicContact OE1-NE 2.7Å; E78-R126 PolarHBondContact OE1-NE 2.89Å; E78-R126 IonicContact OE1-NH2 2.73Å; E78-R126 PolarHBondContact OE1-NH2 2.89Å; E78-R126 IonicContact OE2-CZ 3.41Å; E78-R126 IonicContact OE2-NE 3.93Å; E78-R126 PolarHBondContact OE2-NE 3.35Å; E78-R126 VanDerWaalsContact OE2-NE 3.09Å; E78-R126 IonicContact OE2-NH2 2.9Å; E122-R126 PolarHBondContact O-N 3.36Å; R124-R126 PolarHBondContact O-N 3.45Å; R126-A129 PolarHBondContact O-N 3.24Å; R126-T130 WeakPolarHBondContact O-CB 3.27Å; R126-T130 PolarHBondContact O-N 3Å; R126-T130 PolarHBondContact O-OG1 3.12Å; R126-I164 HydrophobicContact CG-CG2 4.14Å
127	E	95.5	Very high	87	Confident	124 Å²	124	64.4 Å²	64.4	58%	0.579	32%	0.319	S	S	*	.	H	α-helix	trans	-61.2	-48.6	174.9	-76	175.9	-179.5	0	0	111	A123 R124 A129 T130 E131	A123-E127 VanDerWaalsContact O-CG 3.28Å; A123-E127 WeakPolarHBondContact O-CG 3.37Å; A123-E127 PolarHBondContact O-N 2.79Å; R124-E127 PolarHBondContact O-N 3.18Å; E127-A129 PolarHBondContact O-N 3.07Å; E127-T130 WeakPolarHBondContact O-CB 3.28Å; E127-T130 PolarHBondContact O-N 3.11Å; E127-E131 WeakPolarHBondContact O-CG 3.23Å; E127-E131 PolarHBondContact O-N 3.47Å
128	I	96.3	Very high	88.5	Confident	59 Å²	59	60.1 Å²	60.1	30%	0.303	30%	0.301	S	S	.	.	H	α-helix	trans	-61.3	-43.6	177.5	-65.6	163.8	0	0	0	111.1	Y70 L74 R124 D125 T130 E131 C132	Y70-I128 HydrophobicContact CE1-CG2 3.87Å; L74-I128 HydrophobicContact CD1-CB 3.96Å; L74-I128 HydrophobicContact CD1-CG2 3.56Å; R124-I128 WeakPolarHBondContact O-CD1 3.38Å; R124-I128 VanDerWaalsContact O-CG1 3.24Å; R124-I128 WeakPolarHBondContact O-CG1 3.41Å; R124-I128 PolarHBondContact O-N 3.49Å; D125-I128 PolarHBondContact O-N 3.38Å; I128-T130 VanDerWaalsContact C-N 3.31Å; I128-T130 PolarHBondContact O-N 3.35Å; I128-E131 PolarHBondContact O-N 3.24Å; I128-C132 WeakPolarHBondContact O-CB 3.47Å; I128-C132 PolarHBondContact O-N 2.9Å; I128-C132 PolarHBondContact O-SG 3.13Å
129	A	97	Very high	90.2	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-60.5	-42.3	177.2	0	0	0	0	0	111.8	A71 L74 I75 D125 R126 E127 C132 L133	A71-A129 HydrophobicContact CB-CB 4.09Å; A71-A129 WeakPolarHBondContact CB-O 3.38Å; L74-A129 HydrophobicContact CB-CB 4.02Å; L74-A129 HydrophobicContact CD1-CB 4.14Å; I75-A129 HydrophobicContact CD1-CB 4.19Å; I75-A129 HydrophobicContact CG1-CB 3.85Å; D125-A129 WeakPolarHBondContact O-CB 3.47Å; D125-A129 PolarHBondContact O-N 2.92Å; R126-A129 PolarHBondContact O-N 3.24Å; E127-A129 PolarHBondContact O-N 3.07Å; A129-C132 PolarHBondContact O-N 3.27Å; A129-L133 WeakPolarHBondContact O-CG 3.26Å; A129-L133 PolarHBondContact O-N 3.18Å
130	T	97.6	Very high	91.9	Very high	37 Å²	37	53 Å²	53	23%	0.227	26%	0.259	C	S	.	.	H	α-helix	trans	-61.7	-48.2	175.9	-53.9	0	0	0	0	110.8	R126 E127 I128 C132 L133 I134 L161	R126-T130 WeakPolarHBondContact O-CB 3.27Å; R126-T130 PolarHBondContact O-N 3Å; R126-T130 PolarHBondContact O-OG1 3.12Å; E127-T130 WeakPolarHBondContact O-CB 3.28Å; E127-T130 PolarHBondContact O-N 3.11Å; I128-T130 VanDerWaalsContact C-N 3.31Å; I128-T130 PolarHBondContact O-N 3.35Å; T130-C132 VanDerWaalsContact C-N 3.33Å; T130-C132 PolarHBondContact O-N 3.2Å; T130-L133 PolarHBondContact O-N 3.45Å; T130-I134 HydrophobicContact CG2-CD1 3.97Å; T130-I134 WeakPolarHBondContact O-CG1 2.74Å; T130-I134 PolarHBondContact O-N 3.11Å; T130-L161 HydrophobicContact CG2-CD2 4.05Å
131	E	97.9	Very high	93.1	Very high	113 Å²	113	52.8 Å²	52.8	53%	0.528	26%	0.257	S	S	.	.	H	α-helix	trans	-58.6	-44.4	176.9	-71.5	-173.6	174.8	0	0	111.6	E127 I128 L133 I134 Y135	E127-E131 WeakPolarHBondContact O-CG 3.23Å; E127-E131 PolarHBondContact O-N 3.47Å; I128-E131 PolarHBondContact O-N 3.24Å; E131-L133 PolarHBondContact O-N 3.45Å; E131-I134 PolarHBondContact O-N 3.26Å; E131-Y135 HydrophobicContact CB-CE2 4.45Å; E131-Y135 WeakPolarHBondContact O-CD2 3.38Å; E131-Y135 PolarHBondContact O-N 2.91Å
132	C	98.3	Very high	94.4	Very high	9 Å²	9	55.6 Å²	55.6	6%	0.061	26%	0.261	C	S	.	.	H	α-helix	trans	-58.5	-45.3	177	-71.3	0	0	0	0	112.2	F67 Y70 A71 I128 A129 T130 Y135 A136	F67-C132 HydrophobicContact CB-CB 4.39Å; F67-C132 HydrophobicContact CD1-CB 3.86Å; Y70-C132 VanDerWaalsContact CD1-SG 3.56Å; A71-C132 HydrophobicContact CB-CB 3.98Å; I128-C132 WeakPolarHBondContact O-CB 3.47Å; I128-C132 PolarHBondContact O-N 2.9Å; I128-C132 PolarHBondContact O-SG 3.13Å; A129-C132 PolarHBondContact O-N 3.27Å; T130-C132 VanDerWaalsContact C-N 3.33Å; T130-C132 PolarHBondContact O-N 3.2Å; C132-Y135 PolarHBondContact O-N 2.85Å; C132-A136 WeakPolarHBondContact O-CB 3.44Å; C132-A136 PolarHBondContact O-N 3.42Å
133	L	98.6	Very high	95.9	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-67.1	-36.3	177.5	-69.8	173.4	0	0	0	112.3	A71 A129 T130 E131 A136 R137 I157 Q160 L161 I164	A71-L133 HydrophobicContact CB-CD1 4.34Å; A71-L133 HydrophobicContact CB-CD2 3.97Å; A71-L133 HydrophobicContact CB-CG 3.75Å; A129-L133 WeakPolarHBondContact O-CG 3.26Å; A129-L133 PolarHBondContact O-N 3.18Å; T130-L133 PolarHBondContact O-N 3.45Å; E131-L133 PolarHBondContact O-N 3.45Å; L133-A136 PolarHBondContact O-N 3.11Å; L133-R137 WeakPolarHBondContact O-CB 3.45Å; L133-R137 PolarHBondContact O-N 2.99Å; L133-I157 HydrophobicContact CB-CG2 4.2Å; L133-I157 HydrophobicContact CD2-CG2 4.23Å; L133-I157 WeakPolarHBondContact O-CG2 3.22Å; L133-Q160 HydrophobicContact CD1-CB 3.92Å; L133-L161 HydrophobicContact CB-CD1 4.41Å; L133-L161 HydrophobicContact CB-CD2 3.64Å; L133-L161 HydrophobicContact CB-CG 3.91Å; L133-L161 HydrophobicContact CD1-CD2 4.24Å; L133-L161 HydrophobicContact CD1-CG 4.41Å; L133-I164 HydrophobicContact CD1-CD1 3.67Å
134	I	98.4	Very high	96.7	Very high	57 Å²	57	63.1 Å²	63.1	29%	0.292	29%	0.294	S	S	.	.	H	α-helix	trans	-62	-47.6	173.3	-72	167.5	0	0	0	110.4	T130 E131 A136 R137 D138 L161	T130-I134 HydrophobicContact CG2-CD1 3.97Å; T130-I134 WeakPolarHBondContact O-CG1 2.74Å; T130-I134 PolarHBondContact O-N 3.11Å; E131-I134 PolarHBondContact O-N 3.26Å; I134-A136 PolarHBondContact O-N 3.42Å; I134-R137 WeakPolarHBondContact O-CB 3.41Å; I134-R137 PolarHBondContact O-N 3.13Å; I134-D138 WeakPolarHBondContact O-CB 3.45Å; I134-D138 PolarHBondContact O-N 2.91Å; I134-L161 HydrophobicContact CG1-CD1 4.41Å; I134-L161 HydrophobicContact CG1-CD2 4.04Å
135	Y	98.2	Very high	97	Very high	133 Å²	133	64.8 Å²	64.8	52%	0.522	31%	0.308	S	S	.	.	H	α-helix	trans	-60.8	-44.2	176.2	-77.8	-66.1	0	0	0	112.1	F67 E131 C132 R137 D138 I139	F67-Y135 HydrophobicContact CE1-CD2 4.27Å; F67-Y135 HydrophobicContact CE1-CG 4.32Å; F67-Y135 HydrophobicContact CZ-CG 4.24Å; E131-Y135 HydrophobicContact CB-CE2 4.45Å; E131-Y135 WeakPolarHBondContact O-CD2 3.38Å; E131-Y135 PolarHBondContact O-N 2.91Å; C132-Y135 PolarHBondContact O-N 2.85Å; Y135-R137 PolarHBondContact O-N 3.32Å; Y135-D138 PolarHBondContact O-N 3.42Å; Y135-I139 WeakPolarHBondContact O-CG1 3.45Å; Y135-I139 PolarHBondContact O-N 2.93Å
136	A	98.5	Very high	97.2	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-58.8	-45.9	176.6	0	0	0	0	0	112.2	V64 F67 C132 L133 I134 L140 I157	V64-A136 HydrophobicContact CG1-CB 4.09Å; F67-A136 HydrophobicContact CB-CB 3.87Å; C132-A136 WeakPolarHBondContact O-CB 3.44Å; C132-A136 PolarHBondContact O-N 3.42Å; L133-A136 PolarHBondContact O-N 3.11Å; I134-A136 PolarHBondContact O-N 3.42Å; A136-L140 WeakPolarHBondContact O-CG 3.46Å; A136-L140 PolarHBondContact O-N 3.44Å; A136-I157 HydrophobicContact CB-CD1 3.91Å
137	R	98.5	Very high	97.4	Very high	31 Å²	31	65.5 Å²	65.5	12%	0.117	32%	0.316	C	S	.	.	H	α-helix	trans	-59.9	-45.4	174.8	-177.1	-168.2	68.6	-167.4	-8.3	111.6	L133 I134 Y135 L140 K141 L154 I157 D177 E180	L133-R137 WeakPolarHBondContact O-CB 3.45Å; L133-R137 PolarHBondContact O-N 2.99Å; I134-R137 WeakPolarHBondContact O-CB 3.41Å; I134-R137 PolarHBondContact O-N 3.13Å; Y135-R137 PolarHBondContact O-N 3.32Å; R137-L140 PolarHBondContact O-N 2.93Å; R137-K141 HydrophobicContact CG-CD 4.36Å; R137-K141 WeakPolarHBondContact O-CG 3.33Å; R137-K141 PolarHBondContact O-N 2.92Å; R137-L154 HydrophobicContact CB-CD1 4.37Å; R137-L154 HydrophobicContact CG-CD1 3.63Å; R137-I157 HydrophobicContact CB-CG2 3.93Å; R137-D177 IonicContact NH1-OD1 3.49Å; R137-D177 PolarHBondContact NH1-OD1 3.44Å; R137-E180 WeakPolarHBondContact CD-OE1 3.09Å
138	D	98.4	Very high	97.5	Very high	58 Å²	58	63 Å²	63	31%	0.31	31%	0.307	S	S	.	.	H	α-helix	trans	-68.5	-36.9	-176	-69.9	-2.6	0	0	0	111.6	I134 Y135 L140 K141 Q142	I134-D138 WeakPolarHBondContact O-CB 3.45Å; I134-D138 PolarHBondContact O-N 2.91Å; Y135-D138 PolarHBondContact O-N 3.42Å; D138-L140 PolarHBondContact O-N 3.31Å; D138-K141 PolarHBondContact O-N 3.43Å; D138-Q142 VanDerWaalsContact O-CG 3.26Å; D138-Q142 WeakPolarHBondContact O-CG 3.37Å; D138-Q142 PolarHBondContact O-N 2.97Å; D138-Q142 VanDerWaalsContact O-N 3.09Å
139	I	98.3	Very high	97.5	Very high	5 Å²	5	63.8 Å²	63.8	3%	0.026	32%	0.316	C	S	.	.	H	α-helix	trans	-60.5	-44.4	172.6	-69.5	165.6	0	0	0	111.3	L63 V64 F67 Y135 Q142 Q143	L63-I139 HydrophobicContact CB-CD1 4Å; L63-I139 HydrophobicContact CD1-CD1 4.4Å; V64-I139 HydrophobicContact CG2-CB 3.93Å; V64-I139 HydrophobicContact CG2-CG2 3.59Å; F67-I139 HydrophobicContact CD2-CD1 4.1Å; F67-I139 HydrophobicContact CE2-CD1 3.79Å; Y135-I139 WeakPolarHBondContact O-CG1 3.45Å; Y135-I139 PolarHBondContact O-N 2.93Å; I139-Q142 PolarHBondContact O-N 3.15Å; I139-Q143 PolarHBondContact O-NE2 2.94Å; I139-Q143 VanDerWaalsContact O-NE2 3.09Å
140	L	98.4	Very high	97.6	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-63.5	-43.9	176.8	-72.3	164.4	0	0	0	111.3	L61 V64 A136 R137 D138 Q142 Q143 L146 D150 R153 L154 I157	L61-L140 HydrophobicContact CD1-CD2 3.54Å; L61-L140 HydrophobicContact CD1-CG 4.44Å; V64-L140 HydrophobicContact CG1-CD1 3.85Å; V64-L140 HydrophobicContact CG1-CD2 4.48Å; V64-L140 HydrophobicContact CG1-CG 4.13Å; V64-L140 HydrophobicContact CG2-CD2 4.35Å; V64-L140 HydrophobicContact CG2-CG 4Å; A136-L140 WeakPolarHBondContact O-CG 3.46Å; A136-L140 PolarHBondContact O-N 3.44Å; R137-L140 PolarHBondContact O-N 2.93Å; D138-L140 PolarHBondContact O-N 3.31Å; L140-Q142 VanDerWaalsContact C-N 3.26Å; L140-Q142 PolarHBondContact O-N 3.45Å; L140-Q143 WeakPolarHBondContact O-CB 3.31Å; L140-Q143 WeakPolarHBondContact O-CG 3.28Å; L140-Q143 PolarHBondContact O-N 3.45Å; L140-L146 HydrophobicContact CB-CD1 4.41Å; L140-L146 HydrophobicContact CD2-CD2 4.21Å; L140-L146 WeakPolarHBondContact O-CD2 3.49Å; L140-D150 HydrophobicContact CD2-CB 3.88Å; L140-R153 HydrophobicContact CD1-CG 4.33Å; L140-L154 HydrophobicContact CB-CB 4.48Å; L140-L154 HydrophobicContact CB-CD1 4.19Å; L140-L154 HydrophobicContact CD1-CB 3.95Å; L140-L154 HydrophobicContact CD1-CD1 4.27Å; L140-I157 HydrophobicContact CD1-CD1 3.54Å
141	K	97.9	Very high	97.6	Very high	93 Å²	93	64.4 Å²	64.4	40%	0.404	32%	0.317	S	S	.	.	H	α-helix	trans	-64.6	-26.8	178.9	-79.2	-178.9	172.2	172.3	0	114.6	R137 D138 Q143 E180	R137-K141 HydrophobicContact CG-CD 4.36Å; R137-K141 WeakPolarHBondContact O-CG 3.33Å; R137-K141 PolarHBondContact O-N 2.92Å; D138-K141 PolarHBondContact O-N 3.43Å; K141-Q143 PolarHBondContact O-N 3.44Å; K141-E180 WeakPolarHBondContact CE-OE1 3.36Å; K141-E180 IonicContact NZ-OE1 2.73Å; K141-E180 PolarHBondContact NZ-OE1 3.43Å; K141-E180 IonicContact NZ-OE2 3.6Å; K141-E180 PolarHBondContact NZ-OE2 2.81Å
142	Q	97.7	Very high	97.6	Very high	110 Å²	110	62.5 Å²	62.5	51%	0.514	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-15.4	178.4	-73.6	173.2	27.3	0	0	112.8	D138 I139 L140	D138-Q142 VanDerWaalsContact O-CG 3.26Å; D138-Q142 WeakPolarHBondContact O-CG 3.37Å; D138-Q142 PolarHBondContact O-N 2.97Å; D138-Q142 VanDerWaalsContact O-N 3.09Å; I139-Q142 PolarHBondContact O-N 3.15Å; L140-Q142 VanDerWaalsContact C-N 3.26Å; L140-Q142 PolarHBondContact O-N 3.45Å
143	Q	96.8	Very high	97.6	Very high	69 Å²	69	65.6 Å²	65.6	32%	0.322	32%	0.318	S	S	.	.			trans	-73	134.3	177	-51.6	-51.5	-47.5	0	0	110.5	L61 I139 L140 K141 E145 L146	L61-Q143 HydrophobicContact CD1-CG 4.36Å; I139-Q143 PolarHBondContact O-NE2 2.94Å; I139-Q143 VanDerWaalsContact O-NE2 3.09Å; L140-Q143 WeakPolarHBondContact O-CB 3.31Å; L140-Q143 WeakPolarHBondContact O-CG 3.28Å; L140-Q143 PolarHBondContact O-N 3.45Å; K141-Q143 PolarHBondContact O-N 3.44Å; Q143-E145 VanDerWaalsContact C-N 3.31Å; Q143-E145 PolarHBondContact O-N 3.31Å; Q143-L146 HydrophobicContact CB-CD2 3.47Å; Q143-L146 VanDerWaalsContact CB-CD2 3.47Å; Q143-L146 HydrophobicContact CB-CG 4.23Å; Q143-L146 HydrophobicContact CG-CD2 3.66Å
144	N	94.2	Very high	97.6	Very high	178 Å²	178	66.2 Å²	66.2	95%	0.952	32%	0.322	S	S	*	.	S	Bend	trans	-68.1	-32.5	-179.6	-67.9	-52.4	0	0	0	112.8
145	E	95.5	Very high	97.5	Very high	178 Å²	178	63.5 Å²	63.5	83%	0.832	31%	0.308	S	S	*	.	S	Bend	trans	-142.6	121.2	179.3	-175.3	171.4	-160.6	0	0	107.4	Q143	Q143-E145 VanDerWaalsContact C-N 3.31Å; Q143-E145 PolarHBondContact O-N 3.31Å
146	L	96.7	Very high	97.5	Very high	27 Å²	27	59.5 Å²	59.5	14%	0.141	30%	0.297	C	S	.	.			trans	-97.8	137.1	173.1	-67.7	179.1	0	0	0	108.7	L140 Q143 D150 K151 L154	L140-L146 HydrophobicContact CB-CD1 4.41Å; L140-L146 HydrophobicContact CD2-CD2 4.21Å; L140-L146 WeakPolarHBondContact O-CD2 3.49Å; Q143-L146 HydrophobicContact CB-CD2 3.47Å; Q143-L146 VanDerWaalsContact CB-CD2 3.47Å; Q143-L146 HydrophobicContact CB-CG 4.23Å; Q143-L146 HydrophobicContact CG-CD2 3.66Å; L146-D150 HydrophobicContact CB-CB 4.18Å; L146-D150 HydrophobicContact CD2-CB 3.84Å; L146-D150 HydrophobicContact CG-CB 4.46Å; L146-K151 HydrophobicContact CB-CG 3.8Å; L146-K151 VanDerWaalsContact O-CE 3.25Å; L146-K151 WeakPolarHBondContact O-CE 3.4Å; L146-L154 HydrophobicContact CD1-CD2 4Å
147	D	97.3	Very high	97.5	Very high	94 Å²	94	59.5 Å²	59.5	50%	0.503	30%	0.297	S	S	.	.			trans	-71.9	172.2	165.6	72.9	26.8	0	0	0	110.7	C149 D150 K151	D147-C149 VanDerWaalsContact C-N 3.27Å; D147-C149 PolarHBondContact O-N 3.36Å; D147-C149 WeakPolarHBondContact OD1-CA 3.48Å; D147-C149 VanDerWaalsContact OD1-CB 3.29Å; D147-C149 WeakPolarHBondContact OD1-CB 3.43Å; D147-C149 PolarHBondContact OD1-N 2.96Å; D147-D150 PolarHBondContact O-N 3.32Å; D147-D150 PolarHBondContact OD1-N 2.93Å; D147-K151 VanDerWaalsContact O-CG 3.32Å; D147-K151 WeakPolarHBondContact O-CG 3.47Å; D147-K151 PolarHBondContact O-N 2.93Å
148	D	97.4	Very high	97.5	Very high	73 Å²	73	58 Å²	58	39%	0.39	29%	0.292	S	S	.	.	H	α-helix	trans	-67.6	-28.2	-175.9	-70.8	-9.6	0	0	0	113	K151 Q152 I188	D148-K151 IonicContact OD1-NZ 3.48Å; D148-K151 PolarHBondContact OD1-NZ 2.83Å; D148-Q152 WeakPolarHBondContact O-CB 3.36Å; D148-Q152 PolarHBondContact O-N 3.49Å; D148-I188 HydrophobicContact CB-CG1 4.21Å; D148-I188 HydrophobicContact CB-CG2 3.97Å; D148-I188 WeakPolarHBondContact O-CD1 3.43Å
149	C	96.7	Very high	97.5	Very high	74 Å²	74	55.5 Å²	55.5	50%	0.5	28%	0.278	S	S	.	.	H	α-helix	trans	-66.3	-45.7	175.2	-175.3	0	0	0	0	110.5	D147 Q152 R153	D147-C149 VanDerWaalsContact C-N 3.27Å; D147-C149 PolarHBondContact O-N 3.36Å; D147-C149 WeakPolarHBondContact OD1-CA 3.48Å; D147-C149 VanDerWaalsContact OD1-CB 3.29Å; D147-C149 WeakPolarHBondContact OD1-CB 3.43Å; D147-C149 PolarHBondContact OD1-N 2.96Å; C149-Q152 PolarHBondContact O-N 2.99Å; C149-R153 WeakPolarHBondContact O-CB 3.48Å; C149-R153 PolarHBondContact O-N 3.37Å
150	D	97.5	Very high	97.5	Very high	18 Å²	18	57.3 Å²	57.3	10%	0.096	29%	0.286	C	S	.	.	H	α-helix	trans	-72.1	-35.2	179.3	-72.4	-31	0	0	0	112.6	L61 L140 L146 D147 Q152 R153 L154	L61-D150 WeakPolarHBondContact CD2-OD2 3.45Å; L140-D150 HydrophobicContact CD2-CB 3.88Å; L146-D150 HydrophobicContact CB-CB 4.18Å; L146-D150 HydrophobicContact CD2-CB 3.84Å; L146-D150 HydrophobicContact CG-CB 4.46Å; D147-D150 PolarHBondContact O-N 3.32Å; D147-D150 PolarHBondContact OD1-N 2.93Å; D150-Q152 VanDerWaalsContact C-N 3.33Å; D150-R153 WeakPolarHBondContact O-CB 3.25Å; D150-R153 PolarHBondContact O-N 3.06Å; D150-L154 WeakPolarHBondContact O-CB 3.34Å; D150-L154 PolarHBondContact O-N 3.31Å
151	K	98.2	Very high	97.5	Very high	32 Å²	32	57.6 Å²	57.6	14%	0.139	29%	0.288	C	S	.	.	H	α-helix	trans	-62	-42	170.1	-71	170.8	-169.9	159.4	0	111.4	L146 D147 D148 R153 L154 G155 Q187 I188	L146-K151 HydrophobicContact CB-CG 3.8Å; L146-K151 VanDerWaalsContact O-CE 3.25Å; L146-K151 WeakPolarHBondContact O-CE 3.4Å; D147-K151 VanDerWaalsContact O-CG 3.32Å; D147-K151 WeakPolarHBondContact O-CG 3.47Å; D147-K151 PolarHBondContact O-N 2.93Å; D148-K151 IonicContact OD1-NZ 3.48Å; D148-K151 PolarHBondContact OD1-NZ 2.83Å; K151-R153 VanDerWaalsContact C-N 3.32Å; K151-L154 PolarHBondContact O-N 3.18Å; K151-G155 PolarHBondContact O-N 3.3Å; K151-Q187 HydrophobicContact CD-CB 3.95Å; K151-Q187 PolarHBondContact NZ-O 3.32Å; K151-I188 HydrophobicContact CB-CD1 3.71Å; K151-I188 HydrophobicContact CB-CG1 3.8Å; K151-I188 HydrophobicContact CD-CG1 3.8Å
152	Q	97.9	Very high	97.6	Very high	73 Å²	73	53.2 Å²	53.2	34%	0.341	27%	0.268	S	S	.	.	H	α-helix	trans	-64.2	-41.7	176.8	-175.4	178.8	-11.8	0	0	110.7	D148 C149 D150 G155 T156 L185 I188 L195	D148-Q152 WeakPolarHBondContact O-CB 3.36Å; D148-Q152 PolarHBondContact O-N 3.49Å; C149-Q152 PolarHBondContact O-N 2.99Å; D150-Q152 VanDerWaalsContact C-N 3.33Å; Q152-G155 PolarHBondContact O-N 3.26Å; Q152-T156 PolarHBondContact O-N 3.35Å; Q152-T156 PolarHBondContact O-OG1 3.15Å; Q152-L185 HydrophobicContact CB-CD2 4.44Å; Q152-L185 HydrophobicContact CG-CD2 4.35Å; Q152-I188 HydrophobicContact CB-CD1 3.92Å; Q152-L195 HydrophobicContact CG-CD1 4.06Å
153	R	97.9	Very high	97.5	Very high	74 Å²	74	50.2 Å²	50.2	28%	0.279	26%	0.256	S	S	.	.	H	α-helix	trans	-61.7	-45.7	175.2	-169.8	179.7	-64.5	-171.5	-4.8	111.7	V64 L140 C149 D150 K151 G155 T156 I157	V64-R153 VanDerWaalsContact CG1-CD 3.45Å; V64-R153 HydrophobicContact CG1-CG 4.24Å; L140-R153 HydrophobicContact CD1-CG 4.33Å; C149-R153 WeakPolarHBondContact O-CB 3.48Å; C149-R153 PolarHBondContact O-N 3.37Å; D150-R153 WeakPolarHBondContact O-CB 3.25Å; D150-R153 PolarHBondContact O-N 3.06Å; K151-R153 VanDerWaalsContact C-N 3.32Å; R153-G155 PolarHBondContact O-N 3.42Å; R153-T156 PolarHBondContact O-N 3.39Å; R153-I157 HydrophobicContact CG-CD1 4.04Å; R153-I157 WeakPolarHBondContact O-CG1 3.44Å; R153-I157 PolarHBondContact O-N 2.74Å
154	L	98.3	Very high	97.5	Very high	14 Å²	14	47.6 Å²	47.6	7%	0.073	24%	0.244	C	C	.	.	H	α-helix	trans	-56.8	-49.7	174.2	178.4	58.4	0	0	0	111	R137 L140 L146 D150 K151 T156 I157 C158 A184	R137-L154 HydrophobicContact CB-CD1 4.37Å; R137-L154 HydrophobicContact CG-CD1 3.63Å; L140-L154 HydrophobicContact CB-CB 4.48Å; L140-L154 HydrophobicContact CB-CD1 4.19Å; L140-L154 HydrophobicContact CD1-CB 3.95Å; L140-L154 HydrophobicContact CD1-CD1 4.27Å; L146-L154 HydrophobicContact CD1-CD2 4Å; D150-L154 WeakPolarHBondContact O-CB 3.34Å; D150-L154 PolarHBondContact O-N 3.31Å; K151-L154 PolarHBondContact O-N 3.18Å; L154-T156 VanDerWaalsContact C-N 3.3Å; L154-T156 PolarHBondContact O-N 3.42Å; L154-I157 PolarHBondContact O-N 2.91Å; L154-C158 PolarHBondContact O-N 2.95Å; L154-C158 PolarHBondContact O-SG 3.36Å; L154-A184 HydrophobicContact CB-CB 4.35Å; L154-A184 HydrophobicContact CD2-CB 3.89Å; L154-A184 HydrophobicContact CG-CB 4.01Å
155	G	98	Very high	97.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-55.7	-44.6	176.2	0	0	0	0	0	113	K151 Q152 R153 C158 F159	K151-G155 PolarHBondContact O-N 3.3Å; Q152-G155 PolarHBondContact O-N 3.26Å; R153-G155 PolarHBondContact O-N 3.42Å; G155-C158 PolarHBondContact O-N 3.23Å; G155-F159 WeakPolarHBondContact O-CG 3.48Å; G155-F159 PolarHBondContact O-N 3.32Å
156	T	98.1	Very high	97.6	Very high	48 Å²	48	33.9 Å²	33.9	29%	0.294	17%	0.172	S	C	.	.	H	α-helix	trans	-64.4	-45.7	178.6	-55.8	0	0	0	0	111.7	Q152 R153 L154 C158 F159 Q160	Q152-T156 PolarHBondContact O-N 3.35Å; Q152-T156 PolarHBondContact O-OG1 3.15Å; R153-T156 PolarHBondContact O-N 3.39Å; L154-T156 VanDerWaalsContact C-N 3.3Å; L154-T156 PolarHBondContact O-N 3.42Å; T156-C158 VanDerWaalsContact C-N 3.31Å; T156-C158 PolarHBondContact O-N 2.79Å; T156-F159 PolarHBondContact O-N 3.5Å; T156-F159 VanDerWaalsContact O-N 3.15Å; T156-Q160 WeakPolarHBondContact O-CG 3.32Å; T156-Q160 PolarHBondContact O-N 2.86Å
157	I	98.6	Very high	97.4	Very high	1 Å²	1	35 Å²	35	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-59.4	-44.5	177.3	-70.6	162.3	0	0	0	110.6	V64 C68 L133 A136 R137 L140 R153 L154 F159 Q160 L161	V64-I157 HydrophobicContact CG1-CD1 3.95Å; C68-I157 VanDerWaalsContact SG-CD1 3.58Å; L133-I157 HydrophobicContact CB-CG2 4.2Å; L133-I157 HydrophobicContact CD2-CG2 4.23Å; L133-I157 WeakPolarHBondContact O-CG2 3.22Å; A136-I157 HydrophobicContact CB-CD1 3.91Å; R137-I157 HydrophobicContact CB-CG2 3.93Å; L140-I157 HydrophobicContact CD1-CD1 3.54Å; R153-I157 HydrophobicContact CG-CD1 4.04Å; R153-I157 WeakPolarHBondContact O-CG1 3.44Å; R153-I157 PolarHBondContact O-N 2.74Å; L154-I157 PolarHBondContact O-N 2.91Å; I157-F159 VanDerWaalsContact C-N 3.32Å; I157-F159 PolarHBondContact O-N 2.97Å; I157-Q160 PolarHBondContact O-N 3.3Å; I157-L161 HydrophobicContact CG2-CD1 4.21Å; I157-L161 PolarHBondContact O-N 2.97Å
158	C	98.6	Very high	97.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.3	-40.2	176.2	-69.6	0	0	0	0	112.1	L154 G155 T156 L161 A162 D177 E180	L154-C158 PolarHBondContact O-N 2.95Å; L154-C158 PolarHBondContact O-SG 3.36Å; G155-C158 PolarHBondContact O-N 3.23Å; T156-C158 VanDerWaalsContact C-N 3.31Å; T156-C158 PolarHBondContact O-N 2.79Å; C158-L161 PolarHBondContact O-N 3.24Å; C158-A162 WeakPolarHBondContact O-CB 3.46Å; C158-A162 PolarHBondContact O-N 2.64Å; C158-D177 WeakPolarHBondContact CB-O 3.41Å; C158-D177 WeakPolarHBondContact O-CB 3.41Å; C158-E180 PolarHBondContact SG-OE1 3.09Å; C158-E180 VanDerWaalsContact SG-OE1 3.38Å
159	F	98.4	Very high	97.2	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.018	18%	0.177	C	C	.	.	H	α-helix	trans	-69.5	-34.9	175.9	-62.3	-18.2	0	0	0	113	G155 T156 I157 A162 D163 L182 L185 L195 E198 G199 L202	G155-F159 WeakPolarHBondContact O-CG 3.48Å; G155-F159 PolarHBondContact O-N 3.32Å; T156-F159 PolarHBondContact O-N 3.5Å; T156-F159 VanDerWaalsContact O-N 3.15Å; I157-F159 VanDerWaalsContact C-N 3.32Å; I157-F159 PolarHBondContact O-N 2.97Å; F159-A162 PolarHBondContact O-N 2.91Å; F159-D163 PolarHBondContact O-N 3.38Å; F159-L182 HydrophobicContact CE1-CG 4.35Å; F159-L182 HydrophobicContact CZ-CD2 4.28Å; F159-L182 HydrophobicContact CZ-CG 4.25Å; F159-L185 HydrophobicContact CE2-CD1 3.49Å; F159-L185 VanDerWaalsContact CE2-CD1 3.49Å; F159-L185 HydrophobicContact CZ-CD1 3.66Å; F159-L195 WeakPolarHBondContact CE2-O 3.44Å; F159-E198 HydrophobicContact CD2-CG 4.37Å; F159-G199 VanDerWaalsContact CE1-CA 3.5Å; F159-L202 HydrophobicContact CB-CD1 4.05Å; F159-L202 HydrophobicContact CD1-CD1 4.31Å; F159-L202 HydrophobicContact CG-CD1 4.26Å
160	Q	98.2	Very high	97.2	Very high	44 Å²	44	36.3 Å²	36.3	21%	0.206	18%	0.177	C	C	.	.	H	α-helix	trans	-63	-44.1	171.8	-66.9	-177.3	-65.4	0	0	111.6	K72 L133 T156 I157 A162 D163 I164	K72-Q160 VanDerWaalsContact CE-NE2 3.26Å; L133-Q160 HydrophobicContact CD1-CB 3.92Å; T156-Q160 WeakPolarHBondContact O-CG 3.32Å; T156-Q160 PolarHBondContact O-N 2.86Å; I157-Q160 PolarHBondContact O-N 3.3Å; Q160-A162 VanDerWaalsContact C-N 3.32Å; Q160-A162 PolarHBondContact O-N 3.46Å; Q160-D163 PolarHBondContact O-N 2.93Å; Q160-I164 WeakPolarHBondContact O-CG1 3.46Å; Q160-I164 PolarHBondContact O-N 3.25Å
161	L	98.4	Very high	97.1	Very high	6 Å²	6	38.6 Å²	38.6	3%	0.031	19%	0.185	C	C	.	.	H	α-helix	trans	-60.7	-41.7	173.5	-74	169	0	0	0	111.7	T130 L133 I134 I157 C158 D163 I164 A165 D177	T130-L161 HydrophobicContact CG2-CD2 4.05Å; L133-L161 HydrophobicContact CB-CD1 4.41Å; L133-L161 HydrophobicContact CB-CD2 3.64Å; L133-L161 HydrophobicContact CB-CG 3.91Å; L133-L161 HydrophobicContact CD1-CD2 4.24Å; L133-L161 HydrophobicContact CD1-CG 4.41Å; I134-L161 HydrophobicContact CG1-CD1 4.41Å; I134-L161 HydrophobicContact CG1-CD2 4.04Å; I157-L161 HydrophobicContact CG2-CD1 4.21Å; I157-L161 PolarHBondContact O-N 2.97Å; C158-L161 PolarHBondContact O-N 3.24Å; L161-D163 VanDerWaalsContact C-N 3.35Å; L161-D163 PolarHBondContact O-N 3.22Å; L161-I164 PolarHBondContact O-N 2.92Å; L161-A165 WeakPolarHBondContact O-CB 3.49Å; L161-A165 PolarHBondContact O-N 3.46Å; L161-D177 HydrophobicContact CB-CB 4.25Å
162	A	98.2	Very high	97.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.2	-38	176	0	0	0	0	0	112.6	C158 F159 Q160 A165 R166 M174 D177 A178 L202	C158-A162 WeakPolarHBondContact O-CB 3.46Å; C158-A162 PolarHBondContact O-N 2.64Å; F159-A162 PolarHBondContact O-N 2.91Å; Q160-A162 VanDerWaalsContact C-N 3.32Å; Q160-A162 PolarHBondContact O-N 3.46Å; A162-A165 PolarHBondContact O-N 3.32Å; A162-R166 WeakPolarHBondContact O-CB 3.44Å; A162-R166 PolarHBondContact O-N 2.93Å; A162-M174 HydrophobicContact CB-CG 4.24Å; A162-M174 WeakPolarHBondContact O-CG 3.37Å; A162-D177 HydrophobicContact CB-CB 3.96Å; A162-A178 HydrophobicContact CB-CB 4.28Å; A162-L202 HydrophobicContact CB-CD1 4.18Å
163	D	96.9	Very high	97.1	Very high	48 Å²	48	45 Å²	45	26%	0.257	22%	0.215	S	C	.	.	H	α-helix	trans	-69.8	-38.6	176.1	-169.7	58.3	0	0	0	112.6	F159 Q160 L161 R166 K167	F159-D163 PolarHBondContact O-N 3.38Å; Q160-D163 PolarHBondContact O-N 2.93Å; L161-D163 VanDerWaalsContact C-N 3.35Å; L161-D163 PolarHBondContact O-N 3.22Å; D163-R166 WeakPolarHBondContact O-CB 3.49Å; D163-R166 PolarHBondContact O-N 3.47Å; D163-R166 IonicContact OD1-CZ 3.87Å; D163-R166 VanDerWaalsContact OD1-CZ 3.23Å; D163-R166 IonicContact OD1-NE 3.04Å; D163-R166 PolarHBondContact OD1-NE 3.03Å; D163-R166 IonicContact OD1-NH2 2.82Å; D163-R166 PolarHBondContact OD1-NH2 2.79Å; D163-R166 IonicContact OD2-NH2 3.93Å; D163-K167 WeakPolarHBondContact O-CG 3.35Å; D163-K167 PolarHBondContact O-N 2.79Å; D163-K167 WeakPolarHBondContact OD2-CE 3.41Å; D163-K167 IonicContact OD2-NZ 3.74Å
164	I	96.1	Very high	97.1	Very high	13 Å²	13	41.5 Å²	41.5	7%	0.067	20%	0.202	C	C	.	.	H	α-helix	trans	-61.1	-48.4	171.4	-63.8	167.4	0	0	0	109.9	I75 R126 L133 Q160 L161 R166 K167 S168	I75-I164 HydrophobicContact CD1-CD1 3.9Å; I75-I164 HydrophobicContact CD1-CG1 4.35Å; R126-I164 HydrophobicContact CG-CG2 4.14Å; L133-I164 HydrophobicContact CD1-CD1 3.67Å; Q160-I164 WeakPolarHBondContact O-CG1 3.46Å; Q160-I164 PolarHBondContact O-N 3.25Å; L161-I164 PolarHBondContact O-N 2.92Å; I164-R166 PolarHBondContact O-N 3.29Å; I164-K167 PolarHBondContact O-N 3.25Å; I164-K167 VanDerWaalsContact O-N 3.11Å; I164-S168 PolarHBondContact O-N 2.92Å; I164-S168 PolarHBondContact O-OG 2.93Å
165	A	96.9	Very high	97.1	Very high	3 Å²	3	42.6 Å²	42.6	3%	0.025	21%	0.207	C	C	.	.	H	α-helix	trans	-58.5	-36.6	177	0	0	0	0	0	112	L161 A162 S168 L169 Q170 Q173 M174	L161-A165 WeakPolarHBondContact O-CB 3.49Å; L161-A165 PolarHBondContact O-N 3.46Å; A162-A165 PolarHBondContact O-N 3.32Å; A165-S168 CarbonylContact O-C 3.47Å; A165-S168 PolarHBondContact O-N 3.37Å; A165-L169 PolarHBondContact O-N 3.47Å; A165-L169 VanDerWaalsContact O-N 3.11Å; A165-Q170 HydrophobicContact CB-CB 4.16Å; A165-Q170 PolarHBondContact O-N 3.42Å; A165-Q173 HydrophobicContact CB-CB 4.08Å; A165-Q173 HydrophobicContact CB-CG 4.12Å; A165-M174 HydrophobicContact CB-CB 3.95Å
166	R	95.9	Very high	97.1	Very high	66 Å²	66	45.5 Å²	45.5	25%	0.249	23%	0.227	C	C	.	.	H	α-helix	trans	-60.5	-50.4	173.6	-177.4	-169.4	63.3	77.6	-1.6	111.4	A162 D163 I164 S168 L169 W171 M174	A162-R166 WeakPolarHBondContact O-CB 3.44Å; A162-R166 PolarHBondContact O-N 2.93Å; D163-R166 WeakPolarHBondContact O-CB 3.49Å; D163-R166 PolarHBondContact O-N 3.47Å; D163-R166 IonicContact OD1-CZ 3.87Å; D163-R166 VanDerWaalsContact OD1-CZ 3.23Å; D163-R166 IonicContact OD1-NE 3.04Å; D163-R166 PolarHBondContact OD1-NE 3.03Å; D163-R166 IonicContact OD1-NH2 2.82Å; D163-R166 PolarHBondContact OD1-NH2 2.79Å; D163-R166 IonicContact OD2-NH2 3.93Å; I164-R166 PolarHBondContact O-N 3.29Å; R166-S168 PolarHBondContact O-N 2.92Å; R166-L169 PolarHBondContact O-N 2.94Å; R166-L169 VanDerWaalsContact O-N 3.07Å; R166-W171 HydrophobicContact CB-CZ3 4.41Å; R166-W171 HydrophobicContact CG-CZ3 3.97Å; R166-W171 VanDerWaalsContact O-CZ3 3.31Å; R166-W171 WeakPolarHBondContact O-CZ3 3.38Å; R166-M174 HydrophobicContact CB-CE 4.05Å; R166-M174 HydrophobicContact CB-CG 4.38Å; R166-M174 HydrophobicContact CB-SD 3.74Å; R166-M174 HydrophobicContact CG-CE 4.04Å; R166-M174 HydrophobicContact CG-SD 3.99Å
167	K	93	Very high	97.2	Very high	51 Å²	51	43.4 Å²	43.4	22%	0.222	21%	0.214	C	C	.	.	H	α-helix	trans	-63.3	-31.4	178	-67.2	175.4	179.2	180	0	112.1	E79 D163 I164 L169	E79-K167 IonicContact OE1-NZ 3.13Å; E79-K167 PolarHBondContact OE1-NZ 3.27Å; D163-K167 WeakPolarHBondContact O-CG 3.35Å; D163-K167 PolarHBondContact O-N 2.79Å; D163-K167 WeakPolarHBondContact OD2-CE 3.41Å; D163-K167 IonicContact OD2-NZ 3.74Å; I164-K167 PolarHBondContact O-N 3.25Å; I164-K167 VanDerWaalsContact O-N 3.11Å; K167-L169 VanDerWaalsContact C-N 3.3Å; K167-L169 PolarHBondContact O-N 3.21Å
168	S	93.7	Very high	97.2	Very high	48 Å²	48	43.3 Å²	43.3	34%	0.336	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	7.1	174.7	-58.6	0	0	0	0	114.4	I164 A165 R166 Q170	I164-S168 PolarHBondContact O-N 2.92Å; I164-S168 PolarHBondContact O-OG 2.93Å; A165-S168 CarbonylContact O-C 3.47Å; A165-S168 PolarHBondContact O-N 3.37Å; R166-S168 PolarHBondContact O-N 2.92Å; S168-Q170 PolarHBondContact O-N 3.25Å
169	L	95	Very high	97.2	Very high	110 Å²	110	44.9 Å²	44.9	58%	0.576	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.2	26	-178.3	-44.3	179.8	0	0	0	114.3	A165 R166 K167 W171	A165-L169 PolarHBondContact O-N 3.47Å; A165-L169 VanDerWaalsContact O-N 3.11Å; R166-L169 PolarHBondContact O-N 2.94Å; R166-L169 VanDerWaalsContact O-N 3.07Å; K167-L169 VanDerWaalsContact C-N 3.3Å; K167-L169 PolarHBondContact O-N 3.21Å; L169-W171 HydrophobicContact CB-CH2 4.12Å; L169-W171 HydrophobicContact CB-CZ2 3.72Å; L169-W171 HydrophobicContact CD2-CH2 3.37Å; L169-W171 HydrophobicContact CD2-CZ2 3.48Å; L169-W171 VanDerWaalsContact CD2-CZ2 3.48Å; L169-W171 HydrophobicContact CD2-CZ3 4.46Å; L169-W171 HydrophobicContact CG-CH2 4.34Å; L169-W171 HydrophobicContact CG-CZ2 4.16Å; L169-W171 PolarHBondContact O-N 3.42Å
170	Q	96.6	Very high	97.2	Very high	109 Å²	109	46.5 Å²	46.5	51%	0.509	23%	0.234	S	C	.	.			trans	-93.3	70.6	179.6	-64.4	-176.9	-6.2	0	0	110.8	A165 S168 E172 Q173 M174	A165-Q170 HydrophobicContact CB-CB 4.16Å; A165-Q170 PolarHBondContact O-N 3.42Å; S168-Q170 PolarHBondContact O-N 3.25Å; Q170-E172 VanDerWaalsContact C-N 3.34Å; Q170-E172 PolarHBondContact O-N 3.29Å; Q170-Q173 HydrophobicContact CB-CB 4.11Å; Q170-Q173 PolarHBondContact O-N 3.11Å; Q170-M174 PolarHBondContact O-N 3.04Å
171	W	97	Very high	97.2	Very high	66 Å²	66	44.4 Å²	44.4	25%	0.25	22%	0.224	C	C	.	.	H	α-helix	trans	-62	-35.2	-170.6	-44.1	125.6	0	0	0	114.5	R166 L169 M174 H175 L209 Q210	R166-W171 HydrophobicContact CB-CZ3 4.41Å; R166-W171 HydrophobicContact CG-CZ3 3.97Å; R166-W171 VanDerWaalsContact O-CZ3 3.31Å; R166-W171 WeakPolarHBondContact O-CZ3 3.38Å; L169-W171 HydrophobicContact CB-CH2 4.12Å; L169-W171 HydrophobicContact CB-CZ2 3.72Å; L169-W171 HydrophobicContact CD2-CH2 3.37Å; L169-W171 HydrophobicContact CD2-CZ2 3.48Å; L169-W171 VanDerWaalsContact CD2-CZ2 3.48Å; L169-W171 HydrophobicContact CD2-CZ3 4.46Å; L169-W171 HydrophobicContact CG-CH2 4.34Å; L169-W171 HydrophobicContact CG-CZ2 4.16Å; L169-W171 PolarHBondContact O-N 3.42Å; W171-M174 HydrophobicContact CE3-SD 4.02Å; W171-M174 HydrophobicContact CZ3-SD 4.38Å; W171-H175 WeakPolarHBondContact O-CB 3.35Å; W171-H175 PolarHBondContact O-N 2.94Å; W171-L209 HydrophobicContact CD2-CB 3.96Å; W171-L209 HydrophobicContact CD2-CD1 3.87Å; W171-L209 HydrophobicContact CE3-CB 4.39Å; W171-L209 HydrophobicContact CE3-CD1 3.5Å; W171-L209 VanDerWaalsContact CE3-CD1 3.5Å; W171-L209 HydrophobicContact CG-CB 4.1Å; W171-L209 HydrophobicContact CH2-CD1 3.62Å; W171-L209 HydrophobicContact CZ2-CD1 3.96Å; W171-L209 HydrophobicContact CZ3-CD1 3.38Å; W171-Q210 HydrophobicContact CB-CG 3.78Å; W171-Q210 PolarHBondContact O-NE2 3.06Å
172	E	97.7	Very high	97.2	Very high	160 Å²	160	44.4 Å²	44.4	75%	0.748	22%	0.224	S	C	*	.	H	α-helix	trans	-64.6	-43.5	177.1	-69.3	-177.5	-178	0	0	111.4	Q170 H175 S176 Q210	Q170-E172 VanDerWaalsContact C-N 3.34Å; Q170-E172 PolarHBondContact O-N 3.29Å; E172-H175 PolarHBondContact O-N 2.79Å; E172-S176 WeakPolarHBondContact O-CB 3.48Å; E172-S176 PolarHBondContact O-N 2.94Å; E172-Q210 VanDerWaalsContact CA-NE2 3.25Å; E172-Q210 VanDerWaalsContact N-NE2 3.18Å
173	Q	98	Very high	97.2	Very high	80 Å²	80	50.1 Å²	50.1	37%	0.374	25%	0.251	S	S	.	.	H	α-helix	trans	-66.3	-45.5	176.3	-171.4	58	47.4	0	0	110.7	A165 Q170 H175 S176 D177	A165-Q173 HydrophobicContact CB-CB 4.08Å; A165-Q173 HydrophobicContact CB-CG 4.12Å; Q170-Q173 HydrophobicContact CB-CB 4.11Å; Q170-Q173 PolarHBondContact O-N 3.11Å; Q173-H175 VanDerWaalsContact C-N 3.31Å; Q173-H175 PolarHBondContact O-N 3.35Å; Q173-S176 PolarHBondContact O-N 2.73Å; Q173-S176 VanDerWaalsContact O-N 3.16Å; Q173-D177 WeakPolarHBondContact CG-OD2 3.42Å; Q173-D177 PolarHBondContact NE2-OD1 2.68Å; Q173-D177 PolarHBondContact NE2-OD2 3Å; Q173-D177 PolarHBondContact O-N 3.21Å
174	M	98.1	Very high	97.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-53.7	-46.6	174.4	178.9	-168.6	-179.3	0	0	112.2	A162 A165 R166 Q170 W171 A178 L202 L205 A206	A162-M174 HydrophobicContact CB-CG 4.24Å; A162-M174 WeakPolarHBondContact O-CG 3.37Å; A165-M174 HydrophobicContact CB-CB 3.95Å; R166-M174 HydrophobicContact CB-CE 4.05Å; R166-M174 HydrophobicContact CB-CG 4.38Å; R166-M174 HydrophobicContact CB-SD 3.74Å; R166-M174 HydrophobicContact CG-CE 4.04Å; R166-M174 HydrophobicContact CG-SD 3.99Å; Q170-M174 PolarHBondContact O-N 3.04Å; W171-M174 HydrophobicContact CE3-SD 4.02Å; W171-M174 HydrophobicContact CZ3-SD 4.38Å; M174-A178 VanDerWaalsContact O-CB 3.27Å; M174-A178 WeakPolarHBondContact O-CB 3.33Å; M174-A178 PolarHBondContact O-N 3.1Å; M174-L202 HydrophobicContact CE-CB 4.01Å; M174-L202 HydrophobicContact CE-CD2 3.6Å; M174-L202 HydrophobicContact CE-CG 4.44Å; M174-L202 VanDerWaalsContact CE-O 3.23Å; M174-L202 WeakPolarHBondContact CE-O 3.41Å; M174-L205 HydrophobicContact CE-CB 4.08Å; M174-L205 HydrophobicContact CE-CD2 3.95Å; M174-L205 HydrophobicContact CE-CG 4.06Å; M174-A206 HydrophobicContact CB-CB 4.27Å; M174-A206 HydrophobicContact CE-CB 4.41Å; M174-A206 HydrophobicContact CG-CB 3.96Å; M174-A206 HydrophobicContact SD-CB 3.74Å
175	H	98.1	Very high	97.3	Very high	38 Å²	38	47.5 Å²	47.5	18%	0.176	24%	0.238	C	C	.	.	H	α-helix	trans	-63.2	-47.5	177.5	-178.7	-82	0	0	0	111.8	W171 E172 Q173 A178 A179 A206 E215	W171-H175 WeakPolarHBondContact O-CB 3.35Å; W171-H175 PolarHBondContact O-N 2.94Å; E172-H175 PolarHBondContact O-N 2.79Å; Q173-H175 VanDerWaalsContact C-N 3.31Å; Q173-H175 PolarHBondContact O-N 3.35Å; H175-A178 PolarHBondContact O-N 3.29Å; H175-A179 WeakPolarHBondContact O-CB 3.35Å; H175-A179 PolarHBondContact O-N 3.49Å; H175-A206 HydrophobicContact CB-CB 3.73Å; H175-E215 IonicContact CD2-OE1 3Å; H175-E215 IonicContact CE1-OE1 3.09Å; H175-E215 PolarHBondContact CE1-OE1 3.46Å; H175-E215 IonicContact NE2-OE1 3.59Å; H175-E215 PolarHBondContact NE2-OE1 3.43Å; H175-E215 IonicContact NE2-OE2 3.78Å
176	S	98.4	Very high	97.4	Very high	60 Å²	60	53.4 Å²	53.4	42%	0.42	27%	0.265	S	S	.	.	H	α-helix	trans	-60.1	-49.6	-179.9	-176.5	0	0	0	0	111.8	E172 Q173 A179 E180	E172-S176 WeakPolarHBondContact O-CB 3.48Å; E172-S176 PolarHBondContact O-N 2.94Å; Q173-S176 PolarHBondContact O-N 2.73Å; Q173-S176 VanDerWaalsContact O-N 3.16Å; S176-A179 PolarHBondContact O-N 3.21Å; S176-E180 WeakPolarHBondContact O-CB 3.48Å; S176-E180 PolarHBondContact O-N 2.92Å
177	D	98.6	Very high	97.5	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.021	28%	0.278	C	S	.	.	H	α-helix	trans	-65.9	-41.9	-179.7	-71.4	-37.2	0	0	0	111.4	R137 C158 L161 A162 Q173 A179 E180 G181	R137-D177 IonicContact NH1-OD1 3.49Å; R137-D177 PolarHBondContact NH1-OD1 3.44Å; C158-D177 WeakPolarHBondContact CB-O 3.41Å; C158-D177 WeakPolarHBondContact O-CB 3.41Å; L161-D177 HydrophobicContact CB-CB 4.25Å; A162-D177 HydrophobicContact CB-CB 3.96Å; Q173-D177 WeakPolarHBondContact CG-OD2 3.42Å; Q173-D177 PolarHBondContact NE2-OD1 2.68Å; Q173-D177 PolarHBondContact NE2-OD2 3Å; Q173-D177 PolarHBondContact O-N 3.21Å; D177-A179 PolarHBondContact O-N 3.42Å; D177-E180 PolarHBondContact O-N 3.42Å; D177-G181 PolarHBondContact O-N 3.33Å
178	A	98.6	Very high	97.7	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-63.1	-39.9	175.3	0	0	0	0	0	112.5	A162 M174 H175 G181 L182 L202 K203	A162-A178 HydrophobicContact CB-CB 4.28Å; M174-A178 VanDerWaalsContact O-CB 3.27Å; M174-A178 WeakPolarHBondContact O-CB 3.33Å; M174-A178 PolarHBondContact O-N 3.1Å; H175-A178 PolarHBondContact O-N 3.29Å; A178-G181 PolarHBondContact O-N 2.91Å; A178-L182 WeakPolarHBondContact O-CG 3.47Å; A178-L182 PolarHBondContact O-N 3.48Å; A178-L202 HydrophobicContact CB-CB 3.89Å; A178-K203 HydrophobicContact CB-CB 4.08Å
179	A	98.5	Very high	97.8	Very high	32 Å²	32	60.1 Å²	60.1	26%	0.264	30%	0.295	S	S	.	.	H	α-helix	trans	-64.6	-41.3	176.5	0	0	0	0	0	111.9	H175 S176 D177 Q183 K203	H175-A179 WeakPolarHBondContact O-CB 3.35Å; H175-A179 PolarHBondContact O-N 3.49Å; S176-A179 PolarHBondContact O-N 3.21Å; D177-A179 PolarHBondContact O-N 3.42Å; A179-Q183 PolarHBondContact O-N 2.93Å; A179-K203 HydrophobicContact CB-CD 4.25Å
180	E	98.5	Very high	97.8	Very high	38 Å²	38	61.7 Å²	61.7	18%	0.178	30%	0.304	C	S	.	.	H	α-helix	trans	-65.5	-44.6	176.4	-168.6	-176	124.3	0	0	112	R137 K141 C158 S176 D177 L182 Q183 A184	R137-E180 WeakPolarHBondContact CD-OE1 3.09Å; K141-E180 WeakPolarHBondContact CE-OE1 3.36Å; K141-E180 IonicContact NZ-OE1 2.73Å; K141-E180 PolarHBondContact NZ-OE1 3.43Å; K141-E180 IonicContact NZ-OE2 3.6Å; K141-E180 PolarHBondContact NZ-OE2 2.81Å; C158-E180 PolarHBondContact SG-OE1 3.09Å; C158-E180 VanDerWaalsContact SG-OE1 3.38Å; S176-E180 WeakPolarHBondContact O-CB 3.48Å; S176-E180 PolarHBondContact O-N 2.92Å; D177-E180 PolarHBondContact O-N 3.42Å; E180-L182 VanDerWaalsContact C-N 3.34Å; E180-L182 PolarHBondContact O-N 2.88Å; E180-Q183 WeakPolarHBondContact O-CB 3.28Å; E180-Q183 PolarHBondContact O-N 3.45Å; E180-Q183 VanDerWaalsContact O-N 3.11Å; E180-A184 PolarHBondContact O-N 3.11Å
181	G	98.5	Very high	97.8	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60.5	-43.3	177.1	0	0	0	0	0	112.2	D177 A178 Q183 A184 L185	D177-G181 PolarHBondContact O-N 3.33Å; A178-G181 PolarHBondContact O-N 2.91Å; G181-Q183 VanDerWaalsContact C-N 3.34Å; G181-Q183 PolarHBondContact O-N 3.33Å; G181-A184 PolarHBondContact O-N 3.48Å; G181-L185 WeakPolarHBondContact O-CB 3.49Å; G181-L185 VanDerWaalsContact O-CG 3.31Å; G181-L185 WeakPolarHBondContact O-CG 3.41Å; G181-L185 PolarHBondContact O-N 3.01Å
182	L	98.5	Very high	97.7	Very high	6 Å²	6	56.8 Å²	56.8	3%	0.031	29%	0.289	C	S	.	.	H	α-helix	trans	-60	-42.5	172.7	-77	171	0	0	0	112.2	F159 A178 E180 A184 L185 Q186 L196 K203	F159-L182 HydrophobicContact CE1-CG 4.35Å; F159-L182 HydrophobicContact CZ-CD2 4.28Å; F159-L182 HydrophobicContact CZ-CG 4.25Å; A178-L182 WeakPolarHBondContact O-CG 3.47Å; A178-L182 PolarHBondContact O-N 3.48Å; E180-L182 VanDerWaalsContact C-N 3.34Å; E180-L182 PolarHBondContact O-N 2.88Å; L182-A184 VanDerWaalsContact C-N 3.33Å; L182-A184 PolarHBondContact O-N 3.49Å; L182-L185 PolarHBondContact O-N 3.32Å; L182-Q186 WeakPolarHBondContact O-CB 3.1Å; L182-Q186 WeakPolarHBondContact O-CG 3.46Å; L182-Q186 PolarHBondContact O-N 3.32Å; L182-L196 HydrophobicContact CD2-CD2 4.26Å; L182-K203 HydrophobicContact CD1-CD 4.21Å
183	Q	98.4	Very high	97.7	Very high	121 Å²	121	49.7 Å²	49.7	57%	0.565	26%	0.256	S	S	*	.	H	α-helix	trans	-62.6	-39.8	178.8	-175.7	-177.2	12.6	0	0	112.2	A179 E180 G181 Q187	A179-Q183 PolarHBondContact O-N 2.93Å; E180-Q183 WeakPolarHBondContact O-CB 3.28Å; E180-Q183 PolarHBondContact O-N 3.45Å; E180-Q183 VanDerWaalsContact O-N 3.11Å; G181-Q183 VanDerWaalsContact C-N 3.34Å; G181-Q183 PolarHBondContact O-N 3.33Å; Q183-Q187 PolarHBondContact O-NE2 3.34Å
184	A	98.1	Very high	97.7	Very high	6 Å²	6	47.1 Å²	47.1	5%	0.05	25%	0.245	C	C	.	.	H	α-helix	trans	-64.9	-46.1	175.4	0	0	0	0	0	111.2	L154 E180 G181 L182 Q186 Q187	L154-A184 HydrophobicContact CB-CB 4.35Å; L154-A184 HydrophobicContact CD2-CB 3.89Å; L154-A184 HydrophobicContact CG-CB 4.01Å; E180-A184 PolarHBondContact O-N 3.11Å; G181-A184 PolarHBondContact O-N 3.48Å; L182-A184 VanDerWaalsContact C-N 3.33Å; L182-A184 PolarHBondContact O-N 3.49Å; A184-Q186 PolarHBondContact O-N 2.83Å; A184-Q187 WeakPolarHBondContact O-CB 3.35Å; A184-Q187 PolarHBondContact O-N 3Å
185	L	98.2	Very high	97.6	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-67	-34	-178.4	-73	-176.2	0	0	0	114	Q152 F159 G181 L182 Q187 I188 V191 L195 L196	Q152-L185 HydrophobicContact CB-CD2 4.44Å; Q152-L185 HydrophobicContact CG-CD2 4.35Å; F159-L185 HydrophobicContact CE2-CD1 3.49Å; F159-L185 VanDerWaalsContact CE2-CD1 3.49Å; F159-L185 HydrophobicContact CZ-CD1 3.66Å; G181-L185 WeakPolarHBondContact O-CB 3.49Å; G181-L185 VanDerWaalsContact O-CG 3.31Å; G181-L185 WeakPolarHBondContact O-CG 3.41Å; G181-L185 PolarHBondContact O-N 3.01Å; L182-L185 PolarHBondContact O-N 3.32Å; L185-Q187 PolarHBondContact O-N 2.91Å; L185-Q187 VanDerWaalsContact O-N 3.11Å; L185-I188 HydrophobicContact CD2-CD1 4.03Å; L185-I188 PolarHBondContact O-N 2.93Å; L185-V191 HydrophobicContact CB-CG2 4.05Å; L185-V191 HydrophobicContact CD1-CG2 4.42Å; L185-V191 HydrophobicContact CD2-CG2 3.97Å; L185-V191 HydrophobicContact CG-CG2 4.36Å; L185-L195 HydrophobicContact CD1-CB 3.94Å; L185-L196 HydrophobicContact CB-CD2 3.86Å; L185-L196 HydrophobicContact CD1-CD2 4.35Å
186	Q	97.7	Very high	97.6	Very high	127 Å²	127	47.4 Å²	47.4	59%	0.593	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-9.8	177.4	-76.9	171.8	-7.1	0	0	113.9	L182 A184	L182-Q186 WeakPolarHBondContact O-CB 3.1Å; L182-Q186 WeakPolarHBondContact O-CG 3.46Å; L182-Q186 PolarHBondContact O-N 3.32Å; A184-Q186 PolarHBondContact O-N 2.83Å
187	Q	97.4	Very high	97.6	Very high	114 Å²	114	44.6 Å²	44.6	53%	0.533	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	3.6	176.9	-60.1	176.1	23.8	0	0	113.6	K151 Q183 A184 L185	K151-Q187 HydrophobicContact CD-CB 3.95Å; K151-Q187 PolarHBondContact NZ-O 3.32Å; Q183-Q187 PolarHBondContact O-NE2 3.34Å; A184-Q187 WeakPolarHBondContact O-CB 3.35Å; A184-Q187 PolarHBondContact O-N 3Å; L185-Q187 PolarHBondContact O-N 2.91Å; L185-Q187 VanDerWaalsContact O-N 3.11Å
188	I	97.7	Very high	97.5	Very high	16 Å²	16	48 Å²	48	8%	0.082	24%	0.244	C	C	.	.			trans	-106.6	133.6	179.3	-56.4	168.7	0	0	0	108.1	D148 K151 Q152 L185 V191	D148-I188 HydrophobicContact CB-CG1 4.21Å; D148-I188 HydrophobicContact CB-CG2 3.97Å; D148-I188 WeakPolarHBondContact O-CD1 3.43Å; K151-I188 HydrophobicContact CB-CD1 3.71Å; K151-I188 HydrophobicContact CB-CG1 3.8Å; K151-I188 HydrophobicContact CD-CG1 3.8Å; Q152-I188 HydrophobicContact CB-CD1 3.92Å; L185-I188 HydrophobicContact CD2-CD1 4.03Å; L185-I188 PolarHBondContact O-N 2.93Å; I188-V191 HydrophobicContact CB-CB 4.2Å; I188-V191 HydrophobicContact CG2-CB 4.32Å
189	E	95.8	Very high	97.5	Very high	176 Å²	176	48 Å²	48	82%	0.822	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-48	-178	-173.7	169.7	-171.1	0	0	111.9
190	D	95.3	Very high	97.5	Very high	142 Å²	142	47 Å²	47	76%	0.759	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.8	50.6	-174.9	-65.6	-46.6	0	0	0	112.1
191	V	96.6	Very high	97.5	Very high	21 Å²	21	46.2 Å²	46.2	13%	0.127	23%	0.229	C	C	.	.			trans	-65.4	134.2	177.8	59.2	0	0	0	0	111.5	L185 I188 L193 L196	L185-V191 HydrophobicContact CB-CG2 4.05Å; L185-V191 HydrophobicContact CD1-CG2 4.42Å; L185-V191 HydrophobicContact CD2-CG2 3.97Å; L185-V191 HydrophobicContact CG-CG2 4.36Å; I188-V191 HydrophobicContact CB-CB 4.2Å; I188-V191 HydrophobicContact CG2-CB 4.32Å; V191-L193 PolarHBondContact O-N 3.42Å; V191-L193 VanDerWaalsContact O-N 3.11Å; V191-L196 HydrophobicContact CG1-CD1 3.5Å; V191-L196 HydrophobicContact CG1-CD2 4.05Å; V191-L196 HydrophobicContact CG1-CG 3.76Å; V191-L196 HydrophobicContact CG2-CD2 4.16Å; V191-L196 HydrophobicContact CG2-CG 4.06Å
192	P	95.6	Very high	97.5	Very high	51 Å²	51	46.6 Å²	46.6	33%	0.331	23%	0.231	S	C	.	.			trans	-55.1	119.4	173	-26.5	34.5	0	0	0	111.6	I194 L195 L196	P192-I194 HydrophobicContact CB-CG2 4.42Å; P192-I194 PolarHBondContact O-N 2.87Å; P192-I194 VanDerWaalsContact O-N 3.13Å; P192-L195 HydrophobicContact CB-CD1 4.05Å; P192-L195 HydrophobicContact CB-CG 4.16Å; P192-L195 HydrophobicContact CG-CD1 3.99Å; P192-L195 WeakPolarHBondContact O-CB 3.42Å; P192-L195 PolarHBondContact O-N 2.93Å; P192-L196 PolarHBondContact O-N 2.7Å
193	L	97.6	Very high	97.5	Very high	11 Å²	11	48.4 Å²	48.4	6%	0.058	24%	0.239	C	C	.	.	H	α-helix	trans	-58.3	-31.4	-175.9	-68.6	-175.1	0	0	0	112.8	V191 L195 L196 A197 I226 R229 H230 E233	V191-L193 PolarHBondContact O-N 3.42Å; V191-L193 VanDerWaalsContact O-N 3.11Å; L193-L195 VanDerWaalsContact C-N 3.3Å; L193-L195 PolarHBondContact O-N 3.11Å; L193-L196 HydrophobicContact CD2-CD1 4.35Å; L193-L196 PolarHBondContact O-N 3.22Å; L193-A197 WeakPolarHBondContact O-CB 3.4Å; L193-A197 PolarHBondContact O-N 3.42Å; L193-I226 HydrophobicContact CB-CG2 4.03Å; L193-I226 HydrophobicContact CD2-CG2 4.43Å; L193-I226 WeakPolarHBondContact O-CG2 3.27Å; L193-R229 HydrophobicContact CD1-CB 3.69Å; L193-H230 HydrophobicContact CB-CB 4.09Å; L193-H230 HydrophobicContact CD1-CB 3.99Å; L193-E233 VanDerWaalsContact CD1-CD 3.46Å; L193-E233 VanDerWaalsContact CD1-OE1 3.28Å; L193-E233 WeakPolarHBondContact CD1-OE1 3.18Å; L193-E233 WeakPolarHBondContact CD1-OE2 3.33Å
194	I	96.7	Very high	97.5	Very high	27 Å²	27	42.7 Å²	42.7	14%	0.138	21%	0.212	C	C	.	.	H	α-helix	trans	-64.2	-33.7	177.7	-163.1	62.8	0	0	0	112.4	P192 A197 E198 M260	P192-I194 HydrophobicContact CB-CG2 4.42Å; P192-I194 PolarHBondContact O-N 2.87Å; P192-I194 VanDerWaalsContact O-N 3.13Å; I194-A197 WeakPolarHBondContact O-CB 3.47Å; I194-A197 PolarHBondContact O-N 3.05Å; I194-E198 PolarHBondContact O-N 2.99Å; I194-M260 HydrophobicContact CD1-CG 3.98Å
195	L	96.4	Very high	97.5	Very high	26 Å²	26	42.7 Å²	42.7	14%	0.136	21%	0.211	C	C	.	.	H	α-helix	trans	-70.7	-41.1	175.8	-67.4	176.4	0	0	0	111.2	Q152 F159 L185 P192 L193 A197 E198 G199	Q152-L195 HydrophobicContact CG-CD1 4.06Å; F159-L195 WeakPolarHBondContact CE2-O 3.44Å; L185-L195 HydrophobicContact CD1-CB 3.94Å; P192-L195 HydrophobicContact CB-CD1 4.05Å; P192-L195 HydrophobicContact CB-CG 4.16Å; P192-L195 HydrophobicContact CG-CD1 3.99Å; P192-L195 WeakPolarHBondContact O-CB 3.42Å; P192-L195 PolarHBondContact O-N 2.93Å; L193-L195 VanDerWaalsContact C-N 3.3Å; L193-L195 PolarHBondContact O-N 3.11Å; L195-A197 VanDerWaalsContact C-N 3.27Å; L195-A197 PolarHBondContact O-N 3.37Å; L195-E198 PolarHBondContact O-N 2.58Å; L195-G199 PolarHBondContact O-N 3.43Å; L195-G199 VanDerWaalsContact O-N 3.08Å
196	L	98.3	Very high	97.4	Very high	18 Å²	18	42.7 Å²	42.7	9%	0.094	21%	0.211	C	C	.	.	H	α-helix	trans	-60.5	-41.6	171.6	-66.7	-177.8	0	0	0	111.1	L182 L185 V191 P192 L193 E198 G199 H200 I226	L182-L196 HydrophobicContact CD2-CD2 4.26Å; L185-L196 HydrophobicContact CB-CD2 3.86Å; L185-L196 HydrophobicContact CD1-CD2 4.35Å; V191-L196 HydrophobicContact CG1-CD1 3.5Å; V191-L196 HydrophobicContact CG1-CD2 4.05Å; V191-L196 HydrophobicContact CG1-CG 3.76Å; V191-L196 HydrophobicContact CG2-CD2 4.16Å; V191-L196 HydrophobicContact CG2-CG 4.06Å; P192-L196 PolarHBondContact O-N 2.7Å; L193-L196 HydrophobicContact CD2-CD1 4.35Å; L193-L196 PolarHBondContact O-N 3.22Å; L196-E198 PolarHBondContact O-N 3.36Å; L196-G199 PolarHBondContact O-N 3.2Å; L196-H200 PolarHBondContact O-CD2 3.29Å; L196-H200 PolarHBondContact O-N 2.95Å; L196-H200 VanDerWaalsContact O-N 3.09Å; L196-I226 HydrophobicContact CB-CD1 3.96Å; L196-I226 HydrophobicContact CB-CG2 4.33Å
197	A	98.1	Very high	97.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.7	-44.3	177.3	0	0	0	0	0	111.8	L193 I194 L195 H200 Y201 L223 I226 L227 M260	L193-A197 WeakPolarHBondContact O-CB 3.4Å; L193-A197 PolarHBondContact O-N 3.42Å; I194-A197 WeakPolarHBondContact O-CB 3.47Å; I194-A197 PolarHBondContact O-N 3.05Å; L195-A197 VanDerWaalsContact C-N 3.27Å; L195-A197 PolarHBondContact O-N 3.37Å; A197-H200 PolarHBondContact O-N 3.4Å; A197-Y201 WeakPolarHBondContact O-CB 3.47Å; A197-Y201 PolarHBondContact O-N 3.25Å; A197-L223 VanDerWaalsContact CA-CD1 3.47Å; A197-L223 HydrophobicContact CB-CD1 3.41Å; A197-L223 VanDerWaalsContact CB-CD1 3.41Å; A197-L223 VanDerWaalsContact O-CD1 3.24Å; A197-L223 WeakPolarHBondContact O-CD1 3.45Å; A197-I226 HydrophobicContact CB-CG2 3.9Å; A197-L227 HydrophobicContact CB-CD2 4.05Å; A197-L227 HydrophobicContact CB-CG 4.4Å; A197-M260 HydrophobicContact CB-CE 4.32Å
198	E	97.5	Very high	97.4	Very high	75 Å²	75	31.3 Å²	31.3	35%	0.35	16%	0.158	S	C	.	.	H	α-helix	trans	-58.4	-47.7	175.2	-176.3	174.1	-167.8	0	0	112.2	F159 I194 L195 L196 H200 Y201 L202	F159-E198 HydrophobicContact CD2-CG 4.37Å; I194-E198 PolarHBondContact O-N 2.99Å; L195-E198 PolarHBondContact O-N 2.58Å; L196-E198 PolarHBondContact O-N 3.36Å; E198-H200 PolarHBondContact O-N 2.95Å; E198-Y201 WeakPolarHBondContact O-CB 3.37Å; E198-Y201 PolarHBondContact O-N 3.21Å; E198-Y201 VanDerWaalsContact O-N 3.14Å; E198-L202 HydrophobicContact CG-CD1 4.06Å; E198-L202 WeakPolarHBondContact O-CG 3.48Å; E198-L202 PolarHBondContact O-N 2.93Å
199	G	98.3	Very high	97.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59.7	-45.4	178	0	0	0	0	0	113.4	F159 L195 L196 Y201 L202 K203	F159-G199 VanDerWaalsContact CE1-CA 3.5Å; L195-G199 PolarHBondContact O-N 3.43Å; L195-G199 VanDerWaalsContact O-N 3.08Å; L196-G199 PolarHBondContact O-N 3.2Å; G199-Y201 VanDerWaalsContact C-N 3.33Å; G199-Y201 PolarHBondContact O-N 2.98Å; G199-L202 PolarHBondContact O-N 3.45Å; G199-K203 WeakPolarHBondContact O-CB 3.38Å; G199-K203 PolarHBondContact O-N 2.89Å
200	H	98.5	Very high	97.2	Very high	13 Å²	13	27.9 Å²	27.9	6%	0.06	14%	0.144	C	C	.	.	H	α-helix	trans	-68.4	-31.7	176.1	-76	-73.6	0	0	0	112.6	L196 A197 E198 G204 E222 L223 I226	L196-H200 PolarHBondContact O-CD2 3.29Å; L196-H200 PolarHBondContact O-N 2.95Å; L196-H200 VanDerWaalsContact O-N 3.09Å; A197-H200 PolarHBondContact O-N 3.4Å; E198-H200 PolarHBondContact O-N 2.95Å; H200-G204 PolarHBondContact O-N 3.33Å; H200-E222 IonicContact CE1-OE2 2.87Å; H200-E222 PolarHBondContact CE1-OE2 3.14Å; H200-E222 IonicContact ND1-OE2 3.09Å; H200-E222 PolarHBondContact ND1-OE2 3.09Å; H200-E222 IonicContact NE2-OE2 2.64Å; H200-L223 HydrophobicContact CB-CB 4.01Å; H200-I226 WeakPolarHBondContact CD2-CD1 3.43Å
201	Y	98.5	Very high	97.1	Very high	20 Å²	20	27.1 Å²	27.1	8%	0.078	14%	0.139	C	C	.	.	H	α-helix	trans	-64.2	-51.8	173.2	177.5	-104	0	0	0	111.5	A197 E198 G199 G204 L205 Y220 L223 M260 K263 R267	A197-Y201 WeakPolarHBondContact O-CB 3.47Å; A197-Y201 PolarHBondContact O-N 3.25Å; E198-Y201 WeakPolarHBondContact O-CB 3.37Å; E198-Y201 PolarHBondContact O-N 3.21Å; E198-Y201 VanDerWaalsContact O-N 3.14Å; G199-Y201 VanDerWaalsContact C-N 3.33Å; G199-Y201 PolarHBondContact O-N 2.98Å; Y201-G204 PolarHBondContact O-N 3.49Å; Y201-L205 HydrophobicContact CE1-CD2 4.17Å; Y201-L205 VanDerWaalsContact O-CB 3.28Å; Y201-L205 WeakPolarHBondContact O-CB 3.45Å; Y201-L205 PolarHBondContact O-N 2.64Å; Y201-Y220 HydrophobicContact CD2-CE1 4.41Å; Y201-L223 HydrophobicContact CD2-CD2 4Å; Y201-L223 HydrophobicContact CG-CD2 4.36Å; Y201-M260 HydrophobicContact CD2-CE 4.49Å; Y201-M260 HydrophobicContact CG-CE 3.97Å; Y201-K263 HydrophobicContact CE1-CD 4.5Å; Y201-K263 HydrophobicContact CE2-CB 3.8Å; Y201-R267 HydrophobicContact CE2-CG 4.09Å
202	L	98.3	Very high	97.1	Very high	8 Å²	8	29.7 Å²	29.7	4%	0.042	15%	0.152	C	C	.	.	H	α-helix	trans	-60.3	-47.7	179.4	-69.9	170.1	0	0	0	111.1	F159 A162 M174 A178 E198 G199 G204 L205 A206	F159-L202 HydrophobicContact CB-CD1 4.05Å; F159-L202 HydrophobicContact CD1-CD1 4.31Å; F159-L202 HydrophobicContact CG-CD1 4.26Å; A162-L202 HydrophobicContact CB-CD1 4.18Å; M174-L202 HydrophobicContact CE-CB 4.01Å; M174-L202 HydrophobicContact CE-CD2 3.6Å; M174-L202 HydrophobicContact CE-CG 4.44Å; M174-L202 VanDerWaalsContact CE-O 3.23Å; M174-L202 WeakPolarHBondContact CE-O 3.41Å; A178-L202 HydrophobicContact CB-CB 3.89Å; E198-L202 HydrophobicContact CG-CD1 4.06Å; E198-L202 WeakPolarHBondContact O-CG 3.48Å; E198-L202 PolarHBondContact O-N 2.93Å; G199-L202 PolarHBondContact O-N 3.45Å; L202-G204 PolarHBondContact O-N 3.09Å; L202-L205 PolarHBondContact O-N 2.87Å; L202-A206 WeakPolarHBondContact O-CB 3.37Å; L202-A206 PolarHBondContact O-N 3.17Å
203	K	98.2	Very high	97.1	Very high	45 Å²	45	29.5 Å²	29.5	20%	0.196	15%	0.148	C	C	.	.	H	α-helix	trans	-63.3	-42.7	178.3	-170.5	176.4	169.4	-160.9	0	112.5	A178 A179 L182 G199 A206 A207 E215 N219	A178-K203 HydrophobicContact CB-CB 4.08Å; A179-K203 HydrophobicContact CB-CD 4.25Å; L182-K203 HydrophobicContact CD1-CD 4.21Å; G199-K203 WeakPolarHBondContact O-CB 3.38Å; G199-K203 PolarHBondContact O-N 2.89Å; K203-A206 PolarHBondContact O-N 3.07Å; K203-A207 WeakPolarHBondContact O-CB 3.32Å; K203-A207 PolarHBondContact O-N 3.29Å; K203-E215 WeakPolarHBondContact CE-OE1 3.5Å; K203-E215 IonicContact NZ-OE1 2.63Å; K203-N219 WeakPolarHBondContact CD-OD1 3.24Å
204	G	98.1	Very high	97	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.9	-40.2	175.6	0	0	0	0	0	112.8	H200 Y201 L202 A207 E208 A216	H200-G204 PolarHBondContact O-N 3.33Å; Y201-G204 PolarHBondContact O-N 3.49Å; L202-G204 PolarHBondContact O-N 3.09Å; G204-A207 PolarHBondContact O-N 3.14Å; G204-E208 WeakPolarHBondContact O-CB 3.29Å; G204-E208 PolarHBondContact O-N 3.01Å; G204-A216 WeakPolarHBondContact O-CB 3.42Å
205	L	97.6	Very high	97	Very high	6 Å²	6	36.9 Å²	36.9	3%	0.031	19%	0.186	C	C	.	.	H	α-helix	trans	-65.6	-44.9	175.9	178.5	58	0	0	0	112.1	M174 Y201 L202 A207 E208 L209 Y220	M174-L205 HydrophobicContact CE-CB 4.08Å; M174-L205 HydrophobicContact CE-CD2 3.95Å; M174-L205 HydrophobicContact CE-CG 4.06Å; Y201-L205 HydrophobicContact CE1-CD2 4.17Å; Y201-L205 VanDerWaalsContact O-CB 3.28Å; Y201-L205 WeakPolarHBondContact O-CB 3.45Å; Y201-L205 PolarHBondContact O-N 2.64Å; L202-L205 PolarHBondContact O-N 2.87Å; L205-A207 VanDerWaalsContact C-N 3.32Å; L205-A207 PolarHBondContact O-N 2.66Å; L205-E208 WeakPolarHBondContact O-CB 3.34Å; L205-E208 PolarHBondContact O-N 3.22Å; L205-L209 HydrophobicContact CD1-CD1 3.95Å; L205-L209 HydrophobicContact CD1-CG 4.16Å; L205-L209 HydrophobicContact CG-CD1 4.02Å; L205-L209 VanDerWaalsContact O-CG 3.31Å; L205-L209 WeakPolarHBondContact O-CG 3.14Å; L205-L209 PolarHBondContact O-N 3.21Å; L205-Y220 VanDerWaalsContact CA-OH 3.27Å; L205-Y220 WeakPolarHBondContact CA-OH 3.45Å; L205-Y220 PolarHBondContact N-OH 3.15Å
206	A	97.9	Very high	97.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.4	-44.5	175.2	0	0	0	0	0	111.4	M174 H175 L202 K203 L209 Q210	M174-A206 HydrophobicContact CB-CB 4.27Å; M174-A206 HydrophobicContact CE-CB 4.41Å; M174-A206 HydrophobicContact CG-CB 3.96Å; M174-A206 HydrophobicContact SD-CB 3.74Å; H175-A206 HydrophobicContact CB-CB 3.73Å; L202-A206 WeakPolarHBondContact O-CB 3.37Å; L202-A206 PolarHBondContact O-N 3.17Å; K203-A206 PolarHBondContact O-N 3.07Å; A206-L209 PolarHBondContact O-N 3.46Å; A206-Q210 WeakPolarHBondContact O-CB 3.43Å; A206-Q210 VanDerWaalsContact O-CG 3.28Å; A206-Q210 WeakPolarHBondContact O-CG 3.24Å; A206-Q210 PolarHBondContact O-N 3.09Å
207	A	97.7	Very high	97	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.4	-40.7	175.7	0	0	0	0	0	112.5	K203 G204 L205 Q210 N211 N212 E215 A216	K203-A207 WeakPolarHBondContact O-CB 3.32Å; K203-A207 PolarHBondContact O-N 3.29Å; G204-A207 PolarHBondContact O-N 3.14Å; L205-A207 VanDerWaalsContact C-N 3.32Å; L205-A207 PolarHBondContact O-N 2.66Å; A207-Q210 PolarHBondContact O-N 2.89Å; A207-N211 PolarHBondContact O-N 3.36Å; A207-N212 HydrophobicContact CB-CB 4.16Å; A207-N212 WeakPolarHBondContact O-CA 3.39Å; A207-N212 WeakPolarHBondContact O-CB 3.25Å; A207-N212 PolarHBondContact O-N 3.31Å; A207-E215 HydrophobicContact CB-CB 4.14Å; A207-E215 HydrophobicContact CB-CG 3.97Å; A207-A216 HydrophobicContact CB-CB 4.04Å
208	E	95.8	Very high	97	Very high	3 Å²	3	44.7 Å²	44.7	1%	0.014	22%	0.22	C	C	.	.	H	α-helix	trans	-57.4	-49.4	174.1	-179.4	-173	129.2	0	0	110.8	G204 L205 Q210 N211 A216 Y220 R267 I271 Q276	G204-E208 WeakPolarHBondContact O-CB 3.29Å; G204-E208 PolarHBondContact O-N 3.01Å; L205-E208 WeakPolarHBondContact O-CB 3.34Å; L205-E208 PolarHBondContact O-N 3.22Å; E208-Q210 VanDerWaalsContact C-N 3.29Å; E208-Q210 PolarHBondContact O-N 2.83Å; E208-N211 WeakPolarHBondContact O-CA 3.34Å; E208-N211 PolarHBondContact O-N 3.27Å; E208-A216 HydrophobicContact CB-CB 4.08Å; E208-Y220 PolarHBondContact OE2-OH 2.97Å; E208-R267 IonicContact OE1-NH1 2.7Å; E208-R267 PolarHBondContact OE1-NH1 3.48Å; E208-R267 VanDerWaalsContact OE1-NH1 3.13Å; E208-R267 WeakPolarHBondContact OE2-CD 3.31Å; E208-I271 HydrophobicContact CB-CD1 4.45Å; E208-I271 HydrophobicContact CG-CD1 4.18Å; E208-I271 HydrophobicContact CG-CG1 4.25Å; E208-Q276 PolarHBondContact OE1-NE2 2.89Å
209	L	94.6	Very high	97	Very high	65 Å²	65	41.3 Å²	41.3	34%	0.34	20%	0.204	S	C	.	.	H	α-helix	trans	-69.3	-25.9	-177.4	-65.9	170.3	0	0	0	113.2	W171 L205 A206	W171-L209 HydrophobicContact CD2-CB 3.96Å; W171-L209 HydrophobicContact CD2-CD1 3.87Å; W171-L209 HydrophobicContact CE3-CB 4.39Å; W171-L209 HydrophobicContact CE3-CD1 3.5Å; W171-L209 VanDerWaalsContact CE3-CD1 3.5Å; W171-L209 HydrophobicContact CG-CB 4.1Å; W171-L209 HydrophobicContact CH2-CD1 3.62Å; W171-L209 HydrophobicContact CZ2-CD1 3.96Å; W171-L209 HydrophobicContact CZ3-CD1 3.38Å; L205-L209 HydrophobicContact CD1-CD1 3.95Å; L205-L209 HydrophobicContact CD1-CG 4.16Å; L205-L209 HydrophobicContact CG-CD1 4.02Å; L205-L209 VanDerWaalsContact O-CG 3.31Å; L205-L209 WeakPolarHBondContact O-CG 3.14Å; L205-L209 PolarHBondContact O-N 3.21Å; A206-L209 PolarHBondContact O-N 3.46Å
210	Q	95.7	Very high	97	Very high	55 Å²	55	41.4 Å²	41.4	26%	0.257	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	1.7	169.2	-68.2	173	3.5	0	0	113.6	W171 E172 A206 A207 E208 N212	W171-Q210 HydrophobicContact CB-CG 3.78Å; W171-Q210 PolarHBondContact O-NE2 3.06Å; E172-Q210 VanDerWaalsContact CA-NE2 3.25Å; E172-Q210 VanDerWaalsContact N-NE2 3.18Å; A206-Q210 WeakPolarHBondContact O-CB 3.43Å; A206-Q210 VanDerWaalsContact O-CG 3.28Å; A206-Q210 WeakPolarHBondContact O-CG 3.24Å; A206-Q210 PolarHBondContact O-N 3.09Å; A207-Q210 PolarHBondContact O-N 2.89Å; E208-Q210 VanDerWaalsContact C-N 3.29Å; E208-Q210 PolarHBondContact O-N 2.83Å; Q210-N212 PolarHBondContact O-N 3.16Å; Q210-N212 PolarHBondContact OE1-ND2 3.36Å; Q210-N212 VanDerWaalsContact OE1-ND2 3.13Å
211	N	93.5	Very high	97	Very high	126 Å²	126	44.6 Å²	44.6	67%	0.674	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.1	23.8	-175.2	-167	59.3	0	0	0	113.8	A207 E208 I213	A207-N211 PolarHBondContact O-N 3.36Å; E208-N211 WeakPolarHBondContact O-CA 3.34Å; E208-N211 PolarHBondContact O-N 3.27Å; N211-I213 VanDerWaalsContact C-N 3.27Å; N211-I213 PolarHBondContact O-N 3.46Å; N211-I213 VanDerWaalsContact O-N 3.17Å
212	N	96.2	Very high	97	Very high	75 Å²	75	46.4 Å²	46.4	40%	0.401	23%	0.229	S	C	.	.			trans	-86.7	64	171.3	-68.5	-31.8	0	0	0	110	A207 Q210 D214 E215 A216	A207-N212 HydrophobicContact CB-CB 4.16Å; A207-N212 WeakPolarHBondContact O-CA 3.39Å; A207-N212 WeakPolarHBondContact O-CB 3.25Å; A207-N212 PolarHBondContact O-N 3.31Å; Q210-N212 PolarHBondContact O-N 3.16Å; Q210-N212 PolarHBondContact OE1-ND2 3.36Å; Q210-N212 VanDerWaalsContact OE1-ND2 3.13Å; N212-D214 VanDerWaalsContact C-N 3.33Å; N212-D214 PolarHBondContact O-N 2.83Å; N212-E215 HydrophobicContact CB-CB 4.4Å; N212-E215 PolarHBondContact O-N 2.89Å; N212-A216 PolarHBondContact O-N 2.7Å
213	I	94.9	Very high	96.9	Very high	46 Å²	46	46 Å²	46	24%	0.236	23%	0.227	C	C	.	.	H	α-helix	trans	-60.8	-36.4	-167.7	-57.4	-55.7	0	0	0	113.8	N211 A216 K217 I271	N211-I213 VanDerWaalsContact C-N 3.27Å; N211-I213 PolarHBondContact O-N 3.46Å; N211-I213 VanDerWaalsContact O-N 3.17Å; I213-A216 PolarHBondContact O-N 3.36Å; I213-K217 HydrophobicContact CG2-CD 4.27Å; I213-K217 HydrophobicContact CG2-CG 4.47Å; I213-K217 WeakPolarHBondContact O-CB 3.44Å; I213-K217 WeakPolarHBondContact O-CG 3.27Å; I213-K217 PolarHBondContact O-N 3.09Å; I213-I271 HydrophobicContact CG2-CG2 3.8Å
214	D	96	Very high	96.9	Very high	135 Å²	135	44.7 Å²	44.7	72%	0.722	22%	0.223	S	C	*	.	H	α-helix	trans	-66.5	-40.7	179.4	-69.1	-32	0	0	0	111.6	N212 K217 Q218	N212-D214 VanDerWaalsContact C-N 3.33Å; N212-D214 PolarHBondContact O-N 2.83Å; D214-K217 PolarHBondContact O-N 3.45Å; D214-Q218 PolarHBondContact O-N 3.41Å
215	E	97.6	Very high	96.9	Very high	59 Å²	59	49.5 Å²	49.5	28%	0.276	25%	0.245	S	C	.	.	H	α-helix	trans	-68.2	-41.3	174.7	179.1	171	-166.3	0	0	111.4	H175 K203 A207 N212 K217 Q218 N219	H175-E215 IonicContact CD2-OE1 3Å; H175-E215 IonicContact CE1-OE1 3.09Å; H175-E215 PolarHBondContact CE1-OE1 3.46Å; H175-E215 IonicContact NE2-OE1 3.59Å; H175-E215 PolarHBondContact NE2-OE1 3.43Å; H175-E215 IonicContact NE2-OE2 3.78Å; K203-E215 WeakPolarHBondContact CE-OE1 3.5Å; K203-E215 IonicContact NZ-OE1 2.63Å; A207-E215 HydrophobicContact CB-CB 4.14Å; A207-E215 HydrophobicContact CB-CG 3.97Å; N212-E215 HydrophobicContact CB-CB 4.4Å; N212-E215 PolarHBondContact O-N 2.89Å; E215-K217 VanDerWaalsContact C-N 3.32Å; E215-K217 PolarHBondContact O-N 3.19Å; E215-Q218 PolarHBondContact O-N 2.9Å; E215-N219 WeakPolarHBondContact CG-ND2 3.49Å; E215-N219 PolarHBondContact O-N 3.21Å; E215-N219 PolarHBondContact O-ND2 3.07Å
216	A	97.3	Very high	97	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-56.9	-47	174.6	0	0	0	0	0	111.2	G204 A207 E208 N212 I213 Q218 N219 Y220 I271	G204-A216 WeakPolarHBondContact O-CB 3.42Å; A207-A216 HydrophobicContact CB-CB 4.04Å; E208-A216 HydrophobicContact CB-CB 4.08Å; N212-A216 PolarHBondContact O-N 2.7Å; I213-A216 PolarHBondContact O-N 3.36Å; A216-Q218 PolarHBondContact O-N 2.89Å; A216-N219 PolarHBondContact O-N 3.21Å; A216-Y220 WeakPolarHBondContact O-CB 3.48Å; A216-Y220 WeakPolarHBondContact O-CD2 3.37Å; A216-Y220 VanDerWaalsContact O-CG 3.27Å; A216-Y220 PolarHBondContact O-N 3.23Å; A216-I271 HydrophobicContact CB-CD1 3.87Å
217	K	96.1	Very high	97	Very high	91 Å²	91	49.8 Å²	49.8	40%	0.396	25%	0.247	S	C	.	.	H	α-helix	trans	-60.2	-42.3	175.8	-76.3	175.8	178.8	174.1	0	112.7	I213 D214 E215 Y220 Q221 I271	I213-K217 HydrophobicContact CG2-CD 4.27Å; I213-K217 HydrophobicContact CG2-CG 4.47Å; I213-K217 WeakPolarHBondContact O-CB 3.44Å; I213-K217 WeakPolarHBondContact O-CG 3.27Å; I213-K217 PolarHBondContact O-N 3.09Å; D214-K217 PolarHBondContact O-N 3.45Å; E215-K217 VanDerWaalsContact C-N 3.32Å; E215-K217 PolarHBondContact O-N 3.19Å; K217-Y220 PolarHBondContact O-N 3.04Å; K217-Q221 WeakPolarHBondContact O-CB 3.41Å; K217-Q221 PolarHBondContact O-N 2.73Å; K217-I271 HydrophobicContact CD-CG2 4.24Å; K217-I271 HydrophobicContact CG-CG2 3.9Å
218	Q	98.1	Very high	97	Very high	117 Å²	117	55.6 Å²	55.6	55%	0.547	27%	0.272	S	S	.	.	H	α-helix	trans	-60.9	-50.7	177.1	-177.3	-178.2	-16.4	0	0	111	D214 E215 A216 Y220 Q221 E222	D214-Q218 PolarHBondContact O-N 3.41Å; E215-Q218 PolarHBondContact O-N 2.9Å; A216-Q218 PolarHBondContact O-N 2.89Å; Q218-Y220 VanDerWaalsContact C-N 3.31Å; Q218-Y220 PolarHBondContact O-N 3.29Å; Q218-Q221 WeakPolarHBondContact O-CB 3.48Å; Q218-Q221 PolarHBondContact O-N 3.32Å; Q218-Q221 VanDerWaalsContact O-N 3.13Å; Q218-E222 PolarHBondContact NE2-OE1 3.02Å; Q218-E222 PolarHBondContact O-N 3.38Å
219	N	98.4	Very high	97.1	Very high	3 Å²	3	61.3 Å²	61.3	2%	0.016	29%	0.294	C	S	.	.	H	α-helix	trans	-62.2	-39	179.3	-75.4	-78.6	0	0	0	111.9	K203 E215 A216 Q221 E222 L223	K203-N219 WeakPolarHBondContact CD-OD1 3.24Å; E215-N219 WeakPolarHBondContact CG-ND2 3.49Å; E215-N219 PolarHBondContact O-N 3.21Å; E215-N219 PolarHBondContact O-ND2 3.07Å; A216-N219 PolarHBondContact O-N 3.21Å; N219-Q221 VanDerWaalsContact C-N 3.33Å; N219-Q221 PolarHBondContact O-N 3.49Å; N219-E222 PolarHBondContact O-N 3.27Å; N219-L223 VanDerWaalsContact O-CB 3.27Å; N219-L223 WeakPolarHBondContact O-CB 3.36Å; N219-L223 PolarHBondContact O-N 2.84Å
220	Y	98.1	Very high	97.2	Very high	3 Å²	3	58.9 Å²	58.9	1%	0.012	28%	0.28	C	S	.	.	H	α-helix	trans	-69.8	-27.7	175.8	-68.5	-19.2	0	0	0	114	Y201 L205 E208 A216 K217 Q218 L223 S224 L264 R267 I271	Y201-Y220 HydrophobicContact CD2-CE1 4.41Å; L205-Y220 VanDerWaalsContact CA-OH 3.27Å; L205-Y220 WeakPolarHBondContact CA-OH 3.45Å; L205-Y220 PolarHBondContact N-OH 3.15Å; E208-Y220 PolarHBondContact OE2-OH 2.97Å; A216-Y220 WeakPolarHBondContact O-CB 3.48Å; A216-Y220 WeakPolarHBondContact O-CD2 3.37Å; A216-Y220 VanDerWaalsContact O-CG 3.27Å; A216-Y220 PolarHBondContact O-N 3.23Å; K217-Y220 PolarHBondContact O-N 3.04Å; Q218-Y220 VanDerWaalsContact C-N 3.31Å; Q218-Y220 PolarHBondContact O-N 3.29Å; Y220-L223 HydrophobicContact CD1-CD2 4.29Å; Y220-S224 WeakPolarHBondContact O-CB 3.15Å; Y220-S224 PolarHBondContact O-N 2.97Å; Y220-L264 HydrophobicContact CD1-CD1 4.11Å; Y220-L264 HydrophobicContact CG-CD1 3.95Å; Y220-R267 HydrophobicContact CD2-CB 4.39Å; Y220-R267 HydrophobicContact CE2-CB 3.65Å; Y220-R267 HydrophobicContact CE2-CG 4.49Å; Y220-I271 HydrophobicContact CD2-CD1 3.81Å; Y220-I271 HydrophobicContact CE2-CD1 3.51Å
221	Q	97.8	Very high	97.3	Very high	80 Å²	80	57.9 Å²	57.9	37%	0.374	28%	0.282	S	S	.	.	H	α-helix	trans	-70.2	-47	170.9	179.7	60.3	30.3	0	0	110.9	K217 Q218 N219 L223 S224 E225	K217-Q221 WeakPolarHBondContact O-CB 3.41Å; K217-Q221 PolarHBondContact O-N 2.73Å; Q218-Q221 WeakPolarHBondContact O-CB 3.48Å; Q218-Q221 PolarHBondContact O-N 3.32Å; Q218-Q221 VanDerWaalsContact O-N 3.13Å; N219-Q221 VanDerWaalsContact C-N 3.33Å; N219-Q221 PolarHBondContact O-N 3.49Å; Q221-L223 PolarHBondContact O-N 3.41Å; Q221-S224 WeakPolarHBondContact O-CB 3.49Å; Q221-S224 PolarHBondContact O-N 3.42Å; Q221-S224 VanDerWaalsContact O-N 3.11Å; Q221-E225 PolarHBondContact NE2-OE1 3.41Å; Q221-E225 PolarHBondContact O-N 3.48Å
222	E	98.3	Very high	97.5	Very high	57 Å²	57	57 Å²	57	27%	0.266	28%	0.277	S	S	.	.	H	α-helix	trans	-59.4	-45.7	175.4	-70.4	169.3	-173.5	0	0	111	H200 Q218 N219 S224 E225 I226	H200-E222 IonicContact CE1-OE2 2.87Å; H200-E222 PolarHBondContact CE1-OE2 3.14Å; H200-E222 IonicContact ND1-OE2 3.09Å; H200-E222 PolarHBondContact ND1-OE2 3.09Å; H200-E222 IonicContact NE2-OE2 2.64Å; Q218-E222 PolarHBondContact NE2-OE1 3.02Å; Q218-E222 PolarHBondContact O-N 3.38Å; N219-E222 PolarHBondContact O-N 3.27Å; E222-S224 VanDerWaalsContact C-N 3.33Å; E222-S224 PolarHBondContact O-N 3.33Å; E222-E225 PolarHBondContact O-N 3.47Å; E222-E225 VanDerWaalsContact O-N 3.1Å; E222-I226 WeakPolarHBondContact O-CG1 3.21Å; E222-I226 PolarHBondContact O-N 2.96Å
223	L	98.2	Very high	97.6	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-55.2	-45.4	171.4	174.7	52.8	0	0	0	112.3	A197 H200 Y201 N219 Y220 Q221 E225 I226 L227 M260 L264	A197-L223 VanDerWaalsContact CA-CD1 3.47Å; A197-L223 HydrophobicContact CB-CD1 3.41Å; A197-L223 VanDerWaalsContact CB-CD1 3.41Å; A197-L223 VanDerWaalsContact O-CD1 3.24Å; A197-L223 WeakPolarHBondContact O-CD1 3.45Å; H200-L223 HydrophobicContact CB-CB 4.01Å; Y201-L223 HydrophobicContact CD2-CD2 4Å; Y201-L223 HydrophobicContact CG-CD2 4.36Å; N219-L223 VanDerWaalsContact O-CB 3.27Å; N219-L223 WeakPolarHBondContact O-CB 3.36Å; N219-L223 PolarHBondContact O-N 2.84Å; Y220-L223 HydrophobicContact CD1-CD2 4.29Å; Q221-L223 PolarHBondContact O-N 3.41Å; L223-E225 VanDerWaalsContact C-N 3.27Å; L223-E225 PolarHBondContact O-N 2.95Å; L223-I226 PolarHBondContact O-N 2.95Å; L223-L227 HydrophobicContact CD1-CD1 3.78Å; L223-L227 HydrophobicContact CD1-CG 3.88Å; L223-L227 HydrophobicContact CG-CD1 4.04Å; L223-L227 WeakPolarHBondContact O-CB 3.5Å; L223-L227 WeakPolarHBondContact O-CG 3.3Å; L223-L227 PolarHBondContact O-N 3.35Å; L223-M260 HydrophobicContact CD1-CE 4.24Å; L223-L264 HydrophobicContact CD2-CB 4.31Å; L223-L264 HydrophobicContact CD2-CD1 3.93Å; L223-L264 HydrophobicContact CD2-CG 4.48Å; L223-L264 HydrophobicContact CG-CD1 4.27Å; L223-L264 HydrophobicContact CG-CD2 4.19Å
224	S	97.7	Very high	97.6	Very high	17 Å²	17	56.4 Å²	56.4	12%	0.119	27%	0.271	C	S	.	.	H	α-helix	trans	-61.8	-35	177.6	-175.2	0	0	0	0	112.7	Y220 Q221 E222 K228	Y220-S224 WeakPolarHBondContact O-CB 3.15Å; Y220-S224 PolarHBondContact O-N 2.97Å; Q221-S224 WeakPolarHBondContact O-CB 3.49Å; Q221-S224 PolarHBondContact O-N 3.42Å; Q221-S224 VanDerWaalsContact O-N 3.11Å; E222-S224 VanDerWaalsContact C-N 3.33Å; E222-S224 PolarHBondContact O-N 3.33Å; S224-K228 VanDerWaalsContact O-CG 3.26Å; S224-K228 WeakPolarHBondContact O-CG 3.45Å; S224-K228 PolarHBondContact O-N 3.06Å
225	E	98.4	Very high	97.6	Very high	101 Å²	101	56.2 Å²	56.2	47%	0.472	27%	0.266	S	S	.	.	H	α-helix	trans	-73.9	-39.2	178.4	-70.6	173.3	-168.6	0	0	111.6	Q221 E222 L223 K228 R229	Q221-E225 PolarHBondContact NE2-OE1 3.41Å; Q221-E225 PolarHBondContact O-N 3.48Å; E222-E225 PolarHBondContact O-N 3.47Å; E222-E225 VanDerWaalsContact O-N 3.1Å; L223-E225 VanDerWaalsContact C-N 3.27Å; L223-E225 PolarHBondContact O-N 2.95Å; E225-K228 PolarHBondContact O-N 3.45Å; E225-R229 PolarHBondContact O-N 3.34Å
226	I	98.3	Very high	97.6	Very high	7 Å²	7	59.8 Å²	59.8	4%	0.036	28%	0.281	C	S	.	.	H	α-helix	trans	-62	-48.6	172.8	-66.9	160	0	0	0	110.8	L193 L196 A197 H200 E222 L223 K228 R229 H230	L193-I226 HydrophobicContact CB-CG2 4.03Å; L193-I226 HydrophobicContact CD2-CG2 4.43Å; L193-I226 WeakPolarHBondContact O-CG2 3.27Å; L196-I226 HydrophobicContact CB-CD1 3.96Å; L196-I226 HydrophobicContact CB-CG2 4.33Å; A197-I226 HydrophobicContact CB-CG2 3.9Å; H200-I226 WeakPolarHBondContact CD2-CD1 3.43Å; E222-I226 WeakPolarHBondContact O-CG1 3.21Å; E222-I226 PolarHBondContact O-N 2.96Å; L223-I226 PolarHBondContact O-N 2.95Å; I226-K228 VanDerWaalsContact C-N 3.28Å; I226-K228 PolarHBondContact O-N 3.14Å; I226-R229 PolarHBondContact O-N 3.4Å; I226-R229 VanDerWaalsContact O-N 3.13Å; I226-H230 PolarHBondContact O-N 3.41Å
227	L	98	Very high	97.5	Very high	6 Å²	6	63.7 Å²	63.7	3%	0.031	30%	0.301	C	S	.	.	H	α-helix	trans	-62.9	-34.1	179.7	-71.7	173.8	0	0	0	112.1	A197 L223 H230 A231 H257 M260 V261 L264	A197-L227 HydrophobicContact CB-CD2 4.05Å; A197-L227 HydrophobicContact CB-CG 4.4Å; L223-L227 HydrophobicContact CD1-CD1 3.78Å; L223-L227 HydrophobicContact CD1-CG 3.88Å; L223-L227 HydrophobicContact CG-CD1 4.04Å; L223-L227 WeakPolarHBondContact O-CB 3.5Å; L223-L227 WeakPolarHBondContact O-CG 3.3Å; L223-L227 PolarHBondContact O-N 3.35Å; L227-H230 PolarHBondContact O-N 2.96Å; L227-A231 WeakPolarHBondContact O-CB 3.38Å; L227-A231 PolarHBondContact O-N 3.35Å; L227-H257 PolarHBondContact O-CE1 3.29Å; L227-M260 HydrophobicContact CD1-CB 4.32Å; L227-M260 HydrophobicContact CD2-CB 3.98Å; L227-V261 HydrophobicContact CB-CG2 4.42Å; L227-V261 HydrophobicContact CD1-CG2 3.98Å; L227-L264 HydrophobicContact CD1-CD2 3.97Å
228	K	98	Very high	97.4	Very high	121 Å²	121	64.6 Å²	64.6	53%	0.526	31%	0.305	S	S	.	.	H	α-helix	trans	-62.6	-47.1	172.7	-75.5	169.1	-173.4	172.5	0	111.9	S224 E225 I226 H230 A231 D232	S224-K228 VanDerWaalsContact O-CG 3.26Å; S224-K228 WeakPolarHBondContact O-CG 3.45Å; S224-K228 PolarHBondContact O-N 3.06Å; E225-K228 PolarHBondContact O-N 3.45Å; I226-K228 VanDerWaalsContact C-N 3.28Å; I226-K228 PolarHBondContact O-N 3.14Å; K228-H230 VanDerWaalsContact C-N 3.32Å; K228-H230 PolarHBondContact O-N 3.02Å; K228-A231 WeakPolarHBondContact O-CB 3.5Å; K228-A231 PolarHBondContact O-N 3.05Å; K228-D232 PolarHBondContact O-N 3.2Å; K228-D232 VanDerWaalsContact O-N 3.12Å
229	R	98.1	Very high	97.2	Very high	124 Å²	124	62.8 Å²	62.8	47%	0.468	31%	0.305	S	S	.	.	H	α-helix	trans	-60	-43.1	175.8	-69.8	-172.9	-71.4	143.8	-6.9	111.7	L193 E225 I226 A231 D232 E233	L193-R229 HydrophobicContact CD1-CB 3.69Å; E225-R229 PolarHBondContact O-N 3.34Å; I226-R229 PolarHBondContact O-N 3.4Å; I226-R229 VanDerWaalsContact O-N 3.13Å; R229-A231 VanDerWaalsContact C-N 3.34Å; R229-A231 PolarHBondContact O-N 3.02Å; R229-D232 WeakPolarHBondContact O-CB 3.38Å; R229-D232 PolarHBondContact O-N 2.98Å; R229-E233 PolarHBondContact O-N 3.44Å
230	H	97.8	Very high	97	Very high	13 Å²	13	68.5 Å²	68.5	6%	0.06	33%	0.332	C	S	.	.	H	α-helix	trans	-63.4	-38.8	177.1	-171.1	-115.8	0	0	0	112.6	L193 I226 L227 K228 D232 E233 L234 H257	L193-H230 HydrophobicContact CB-CB 4.09Å; L193-H230 HydrophobicContact CD1-CB 3.99Å; I226-H230 PolarHBondContact O-N 3.41Å; L227-H230 PolarHBondContact O-N 2.96Å; K228-H230 VanDerWaalsContact C-N 3.32Å; K228-H230 PolarHBondContact O-N 3.02Å; H230-D232 VanDerWaalsContact C-N 3.32Å; H230-D232 PolarHBondContact O-N 3.18Å; H230-E233 PolarHBondContact O-N 2.88Å; H230-L234 WeakPolarHBondContact CE1-CD1 3.35Å; H230-L234 WeakPolarHBondContact ND1-CD1 3.1Å; H230-L234 WeakPolarHBondContact O-CB 3.38Å; H230-L234 WeakPolarHBondContact O-CG 3.28Å; H230-L234 PolarHBondContact O-N 3.23Å; H230-H257 AromaticContact ND1-CG 3.64Å; H230-H257 AromaticContact ND1-ND1 3.26Å; H230-H257 PolarHBondContact ND1-ND1 3.5Å
231	A	97	Very high	96.8	Very high	34 Å²	34	68.7 Å²	68.7	28%	0.281	33%	0.334	S	S	.	.	H	α-helix	trans	-62	-40.7	174.6	0	0	0	0	0	111.9	L227 K228 R229 L234 Q235	L227-A231 WeakPolarHBondContact O-CB 3.38Å; L227-A231 PolarHBondContact O-N 3.35Å; K228-A231 WeakPolarHBondContact O-CB 3.5Å; K228-A231 PolarHBondContact O-N 3.05Å; R229-A231 VanDerWaalsContact C-N 3.34Å; R229-A231 PolarHBondContact O-N 3.02Å; A231-L234 PolarHBondContact O-N 3.44Å; A231-Q235 WeakPolarHBondContact O-CB 3.3Å; A231-Q235 PolarHBondContact O-N 3Å
232	D	97.8	Very high	96.4	Very high	108 Å²	108	71.5 Å²	71.5	58%	0.578	35%	0.347	S	S	*	.	H	α-helix	trans	-64.9	-42.1	176.1	-64.8	-26.5	0	0	0	111.4	K228 R229 H230 Q235 K236	K228-D232 PolarHBondContact O-N 3.2Å; K228-D232 VanDerWaalsContact O-N 3.12Å; R229-D232 WeakPolarHBondContact O-CB 3.38Å; R229-D232 PolarHBondContact O-N 2.98Å; H230-D232 VanDerWaalsContact C-N 3.32Å; H230-D232 PolarHBondContact O-N 3.18Å; D232-Q235 PolarHBondContact O-N 3.21Å; D232-K236 PolarHBondContact O-N 3.05Å; D232-K236 VanDerWaalsContact O-N 3.1Å
233	E	97.1	Very high	95.9	Very high	98 Å²	98	76.2 Å²	76.2	46%	0.458	37%	0.374	S	S	.	.	H	α-helix	trans	-61.7	-48.2	174.3	-75.2	176.4	-169.5	0	0	112	L193 R229 H230 Q235 K236 L237	L193-E233 VanDerWaalsContact CD1-CD 3.46Å; L193-E233 VanDerWaalsContact CD1-OE1 3.28Å; L193-E233 WeakPolarHBondContact CD1-OE1 3.18Å; L193-E233 WeakPolarHBondContact CD1-OE2 3.33Å; R229-E233 PolarHBondContact O-N 3.44Å; H230-E233 PolarHBondContact O-N 2.88Å; E233-Q235 VanDerWaalsContact C-N 3.33Å; E233-Q235 PolarHBondContact O-N 3.39Å; E233-K236 WeakPolarHBondContact O-CB 3.49Å; E233-K236 PolarHBondContact O-N 3.18Å; E233-L237 WeakPolarHBondContact O-CG 3.48Å; E233-L237 PolarHBondContact O-N 3.34Å
234	L	96.3	Very high	95.6	Very high	11 Å²	11	78.1 Å²	78.1	6%	0.058	39%	0.387	C	S	.	.	H	α-helix	trans	-63	-37.8	177.1	-74	175	0	0	0	112.3	H230 A231 K236 L237 K238 E253 M254 H257	H230-L234 WeakPolarHBondContact CE1-CD1 3.35Å; H230-L234 WeakPolarHBondContact ND1-CD1 3.1Å; H230-L234 WeakPolarHBondContact O-CB 3.38Å; H230-L234 WeakPolarHBondContact O-CG 3.28Å; H230-L234 PolarHBondContact O-N 3.23Å; A231-L234 PolarHBondContact O-N 3.44Å; L234-K236 VanDerWaalsContact C-N 3.32Å; L234-K236 PolarHBondContact O-N 3.28Å; L234-L237 PolarHBondContact O-N 3.46Å; L234-K238 WeakPolarHBondContact O-CB 3.46Å; L234-K238 PolarHBondContact O-N 2.8Å; L234-E253 HydrophobicContact CD2-CB 3.75Å; L234-M254 HydrophobicContact CB-CG 4.42Å; L234-M254 HydrophobicContact CD1-CG 4.06Å; L234-M254 HydrophobicContact CD2-CG 4.33Å; L234-H257 HydrophobicContact CD1-CB 3.73Å
235	Q	96.2	Very high	95.4	Very high	131 Å²	131	85.1 Å²	85.1	61%	0.612	42%	0.424	S	S	*	.	H	α-helix	trans	-65.3	-38	176.9	-176.5	174.8	-4.8	0	0	111.7	A231 D232 E233 S239	A231-Q235 WeakPolarHBondContact O-CB 3.3Å; A231-Q235 PolarHBondContact O-N 3Å; D232-Q235 PolarHBondContact O-N 3.21Å; E233-Q235 VanDerWaalsContact C-N 3.33Å; E233-Q235 PolarHBondContact O-N 3.39Å; Q235-S239 PolarHBondContact O-N 3.1Å; Q235-S239 PolarHBondContact O-OG 3.15Å
236	K	95.9	Very high	95.2	Very high	134 Å²	134	84.8 Å²	84.8	58%	0.583	43%	0.425	S	S	*	.	H	α-helix	trans	-65.5	-52.6	174	-176.9	-172.1	169.5	-161.4	0	110.9	D232 E233 L234 K238 S239 E240	D232-K236 PolarHBondContact O-N 3.05Å; D232-K236 VanDerWaalsContact O-N 3.1Å; E233-K236 WeakPolarHBondContact O-CB 3.49Å; E233-K236 PolarHBondContact O-N 3.18Å; L234-K236 VanDerWaalsContact C-N 3.32Å; L234-K236 PolarHBondContact O-N 3.28Å; K236-K238 VanDerWaalsContact C-N 3.31Å; K236-K238 PolarHBondContact O-N 3.16Å; K236-S239 WeakPolarHBondContact O-CB 3.25Å; K236-S239 PolarHBondContact O-N 3.2Å; K236-E240 WeakPolarHBondContact CE-OE1 3.39Å; K236-E240 PolarHBondContact O-N 3.03Å; K236-E240 VanDerWaalsContact O-N 3.16Å
237	L	95.3	Very high	95.1	Very high	81 Å²	81	88.5 Å²	88.5	42%	0.424	44%	0.442	S	S	.	.	H	α-helix	trans	-58.4	-42	178.5	-71.9	173.7	0	0	0	112	E233 L234 S239 E240 A241 V250	E233-L237 WeakPolarHBondContact O-CG 3.48Å; E233-L237 PolarHBondContact O-N 3.34Å; L234-L237 PolarHBondContact O-N 3.46Å; L237-S239 VanDerWaalsContact C-N 3.26Å; L237-S239 PolarHBondContact O-N 3.02Å; L237-E240 PolarHBondContact O-N 3.3Å; L237-E240 VanDerWaalsContact O-N 3.1Å; L237-A241 WeakPolarHBondContact O-CB 3.48Å; L237-A241 PolarHBondContact O-N 3.44Å; L237-V250 HydrophobicContact CB-CG2 4.12Å
238	K	94.7	Very high	94.9	Very high	110 Å²	110	91.6 Å²	91.6	48%	0.478	47%	0.468	S	S	.	.	H	α-helix	trans	-58	-39.3	176	-178.7	176.4	-178.2	172.5	0	112.5	L234 K236 E240 E242 V250 M254	L234-K238 WeakPolarHBondContact O-CB 3.46Å; L234-K238 PolarHBondContact O-N 2.8Å; K236-K238 VanDerWaalsContact C-N 3.31Å; K236-K238 PolarHBondContact O-N 3.16Å; K238-E240 VanDerWaalsContact C-N 3.32Å; K238-E242 PolarHBondContact O-N 3.09Å; K238-V250 HydrophobicContact CB-CG1 4.17Å; K238-M254 HydrophobicContact CD-SD 4.04Å
239	S	94.2	Very high	94.7	Very high	79 Å²	79	92 Å²	92	55%	0.552	47%	0.472	S	S	*	.	H	α-helix	trans	-72.5	-28.3	179.5	-51.5	0	0	0	0	112.1	Q235 K236 L237	Q235-S239 PolarHBondContact O-N 3.1Å; Q235-S239 PolarHBondContact O-OG 3.15Å; K236-S239 WeakPolarHBondContact O-CB 3.25Å; K236-S239 PolarHBondContact O-N 3.2Å; L237-S239 VanDerWaalsContact C-N 3.26Å; L237-S239 PolarHBondContact O-N 3.02Å
240	E	94.9	Very high	94.6	Very high	123 Å²	123	86.8 Å²	86.8	58%	0.575	45%	0.454	S	S	*	.	H	α-helix	trans	-82.2	-33.1	176.6	-68.3	172.1	-176.8	0	0	112	K236 L237 K238	K236-E240 WeakPolarHBondContact CE-OE1 3.39Å; K236-E240 PolarHBondContact O-N 3.03Å; K236-E240 VanDerWaalsContact O-N 3.16Å; L237-E240 PolarHBondContact O-N 3.3Å; L237-E240 VanDerWaalsContact O-N 3.1Å; K238-E240 VanDerWaalsContact C-N 3.32Å
241	A	92.4	Very high	94.5	Very high	7 Å²	7	92 Å²	92	6%	0.058	48%	0.477	C	S	.	.			trans	-84.9	-3.2	-175.2	0	0	0	0	0	114.4	L237 N243 S244 D246 V250	L237-A241 WeakPolarHBondContact O-CB 3.48Å; L237-A241 PolarHBondContact O-N 3.44Å; A241-N243 PolarHBondContact O-N 3.03Å; A241-S244 WeakPolarHBondContact CA-OG 3.5Å; A241-S244 WeakPolarHBondContact CB-OG 3.34Å; A241-S244 PolarHBondContact O-N 2.98Å; A241-S244 PolarHBondContact O-OG 3.06Å; A241-D246 HydrophobicContact CB-CB 4.42Å; A241-V250 HydrophobicContact CB-CG2 4.07Å
242	E	89.8	Confident	94.4	Very high	139 Å²	139	93.3 Å²	93.3	65%	0.65	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	109	176.6	-74.4	-170.5	174	0	0	110	K238	K238-E242 PolarHBondContact O-N 3.09Å
243	N	86.8	Confident	94.3	Very high	157 Å²	157	90.2 Å²	90.2	84%	0.84	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	24.3	-175.9	-38.9	-80.6	0	0	0	116.1	A241	A241-N243 PolarHBondContact O-N 3.03Å
244	S	93.5	Very high	94.2	Very high	40 Å²	40	87.9 Å²	87.9	28%	0.28	46%	0.456	S	S	.	.	S	Bend	trans	-105.3	164.7	171.1	74	0	0	0	0	112.1	A241 D246 E247	A241-S244 WeakPolarHBondContact CA-OG 3.5Å; A241-S244 WeakPolarHBondContact CB-OG 3.34Å; A241-S244 PolarHBondContact O-N 2.98Å; A241-S244 PolarHBondContact O-OG 3.06Å; S244-D246 PolarHBondContact O-N 2.64Å; S244-D246 PolarHBondContact OG-N 3.29Å; S244-E247 PolarHBondContact O-N 2.69Å
245	D	93.6	Very high	94.2	Very high	164 Å²	164	90.1 Å²	90.1	88%	0.877	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-16.7	173.3	-66.3	-27.9	0	0	0	112.3	E247	D245-E247 VanDerWaalsContact C-N 3.28Å; D245-E247 PolarHBondContact O-N 2.87Å
246	D	94.1	Very high	94.1	Very high	93 Å²	93	88.6 Å²	88.6	50%	0.497	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-6.7	-178.5	-52.7	-25.6	0	0	0	112.7	A241 S244 A248 E249 V250	A241-D246 HydrophobicContact CB-CB 4.42Å; S244-D246 PolarHBondContact O-N 2.64Å; S244-D246 PolarHBondContact OG-N 3.29Å; D246-A248 PolarHBondContact O-N 3.19Å; D246-E249 PolarHBondContact O-N 2.77Å; D246-E249 VanDerWaalsContact O-N 3.15Å; D246-V250 WeakPolarHBondContact O-CG2 3.18Å; D246-V250 PolarHBondContact O-N 3.35Å
247	E	94.6	Very high	94.2	Very high	85 Å²	85	83.5 Å²	83.5	40%	0.397	45%	0.445	S	S	.	.	H	α-helix	trans	-58.3	-35	-178.5	-170.6	-173.2	162.8	0	0	112.2	S244 D245 K251	S244-E247 PolarHBondContact O-N 2.69Å; D245-E247 VanDerWaalsContact C-N 3.28Å; D245-E247 PolarHBondContact O-N 2.87Å; E247-K251 HydrophobicContact CG-CD 4.45Å; E247-K251 WeakPolarHBondContact O-CB 3.26Å; E247-K251 VanDerWaalsContact O-CG 3.28Å; E247-K251 WeakPolarHBondContact O-CG 3.29Å; E247-K251 PolarHBondContact O-N 3.23Å; E247-K251 VanDerWaalsContact O-N 3.09Å; E247-K251 WeakPolarHBondContact OE1-CE 3.48Å; E247-K251 IonicContact OE1-NZ 2.9Å; E247-K251 PolarHBondContact OE1-NZ 3.47Å
248	A	94.5	Very high	94.2	Very high	71 Å²	71	85.1 Å²	85.1	59%	0.587	45%	0.451	S	S	*	.	H	α-helix	trans	-70	-39.9	178.7	0	0	0	0	0	112.4	D246 K251 S252	D246-A248 PolarHBondContact O-N 3.19Å; A248-K251 PolarHBondContact O-N 3.01Å; A248-S252 PolarHBondContact O-N 3.48Å
249	E	94.6	Very high	94.3	Very high	130 Å²	130	82.2 Å²	82.2	61%	0.607	44%	0.44	S	S	*	.	H	α-helix	trans	-66.7	-47.3	177.3	-175.1	173.9	-179.6	0	0	110.7	D246 K251 S252 E253	D246-E249 PolarHBondContact O-N 2.77Å; D246-E249 VanDerWaalsContact O-N 3.15Å; E249-K251 VanDerWaalsContact C-N 3.28Å; E249-K251 PolarHBondContact O-N 2.95Å; E249-S252 WeakPolarHBondContact O-CB 3.35Å; E249-S252 PolarHBondContact O-N 3.27Å; E249-E253 PolarHBondContact O-N 2.88Å
250	V	95.3	Very high	94.4	Very high	15 Å²	15	79.2 Å²	79.2	9%	0.091	42%	0.418	C	S	.	.	H	α-helix	trans	-58.6	-40.2	176.1	176.4	0	0	0	0	111.3	L237 K238 A241 D246 E253 M254	L237-V250 HydrophobicContact CB-CG2 4.12Å; K238-V250 HydrophobicContact CB-CG1 4.17Å; A241-V250 HydrophobicContact CB-CG2 4.07Å; D246-V250 WeakPolarHBondContact O-CG2 3.18Å; D246-V250 PolarHBondContact O-N 3.35Å; V250-E253 PolarHBondContact O-N 2.86Å; V250-M254 HydrophobicContact CG1-CG 4.4Å; V250-M254 HydrophobicContact CG1-SD 4.42Å; V250-M254 WeakPolarHBondContact O-CB 3.46Å; V250-M254 VanDerWaalsContact O-CG 3.27Å; V250-M254 WeakPolarHBondContact O-CG 2.79Å; V250-M254 PolarHBondContact O-N 3.18Å
251	K	95.3	Very high	94.5	Very high	122 Å²	122	74.9 Å²	74.9	53%	0.53	40%	0.4	S	S	.	.	H	α-helix	trans	-63.4	-40.2	174.6	-78.4	172.9	-175.6	166.2	0	112.7	E247 A248 E249 M254 A255	E247-K251 HydrophobicContact CG-CD 4.45Å; E247-K251 WeakPolarHBondContact O-CB 3.26Å; E247-K251 VanDerWaalsContact O-CG 3.28Å; E247-K251 WeakPolarHBondContact O-CG 3.29Å; E247-K251 PolarHBondContact O-N 3.23Å; E247-K251 VanDerWaalsContact O-N 3.09Å; E247-K251 WeakPolarHBondContact OE1-CE 3.48Å; E247-K251 IonicContact OE1-NZ 2.9Å; E247-K251 PolarHBondContact OE1-NZ 3.47Å; A248-K251 PolarHBondContact O-N 3.01Å; E249-K251 VanDerWaalsContact C-N 3.28Å; E249-K251 PolarHBondContact O-N 2.95Å; K251-M254 PolarHBondContact O-N 2.86Å; K251-A255 PolarHBondContact O-N 3.34Å
252	S	95.2	Very high	94.7	Very high	61 Å²	61	78.7 Å²	78.7	43%	0.427	42%	0.422	S	S	.	.	H	α-helix	trans	-62.6	-46.2	176.5	-170.8	0	0	0	0	111.2	A248 E249 A255 K256	A248-S252 PolarHBondContact O-N 3.48Å; E249-S252 WeakPolarHBondContact O-CB 3.35Å; E249-S252 PolarHBondContact O-N 3.27Å; S252-A255 WeakPolarHBondContact O-CB 3.47Å; S252-A255 PolarHBondContact O-N 2.9Å; S252-K256 PolarHBondContact O-N 2.89Å; S252-K256 VanDerWaalsContact O-N 3.09Å
253	E	95.6	Very high	95	Very high	43 Å²	43	74.5 Å²	74.5	20%	0.201	40%	0.402	C	S	.	.	H	α-helix	trans	-67.7	-36.1	177.8	-69.7	-56.1	130.5	0	0	112.8	L234 E249 V250 A255 K256 H257	L234-E253 HydrophobicContact CD2-CB 3.75Å; E249-E253 PolarHBondContact O-N 2.88Å; V250-E253 PolarHBondContact O-N 2.86Å; E253-A255 VanDerWaalsContact C-N 3.31Å; E253-A255 PolarHBondContact O-N 3.12Å; E253-K256 PolarHBondContact O-N 3.32Å; E253-K256 WeakPolarHBondContact OE1-CE 3.44Å; E253-K256 IonicContact OE1-NZ 2.64Å; E253-K256 PolarHBondContact OE1-NZ 2.97Å; E253-H257 WeakPolarHBondContact O-CB 3.28Å; E253-H257 PolarHBondContact O-N 3.33Å
254	M	95.5	Very high	95.5	Very high	50 Å²	50	67.5 Å²	67.5	25%	0.246	36%	0.364	C	S	.	.	H	α-helix	trans	-60.1	-40.8	170.7	-76.2	-170.9	67.9	0	0	112	L234 K238 V250 K251 H257 E258	L234-M254 HydrophobicContact CB-CG 4.42Å; L234-M254 HydrophobicContact CD1-CG 4.06Å; L234-M254 HydrophobicContact CD2-CG 4.33Å; K238-M254 HydrophobicContact CD-SD 4.04Å; V250-M254 HydrophobicContact CG1-CG 4.4Å; V250-M254 HydrophobicContact CG1-SD 4.42Å; V250-M254 WeakPolarHBondContact O-CB 3.46Å; V250-M254 VanDerWaalsContact O-CG 3.27Å; V250-M254 WeakPolarHBondContact O-CG 2.79Å; V250-M254 PolarHBondContact O-N 3.18Å; K251-M254 PolarHBondContact O-N 2.86Å; M254-H257 WeakPolarHBondContact O-CB 3.47Å; M254-H257 PolarHBondContact O-N 3.47Å; M254-E258 WeakPolarHBondContact O-CG 3.36Å; M254-E258 PolarHBondContact O-N 2.86Å
255	A	96.1	Very high	95.6	Very high	57 Å²	57	72.5 Å²	72.5	47%	0.471	38%	0.381	S	S	.	.	H	α-helix	trans	-65	-43.7	177.4	0	0	0	0	0	112	K251 S252 E253 H257 E258 D259	K251-A255 PolarHBondContact O-N 3.34Å; S252-A255 WeakPolarHBondContact O-CB 3.47Å; S252-A255 PolarHBondContact O-N 2.9Å; E253-A255 VanDerWaalsContact C-N 3.31Å; E253-A255 PolarHBondContact O-N 3.12Å; A255-H257 VanDerWaalsContact C-N 3.32Å; A255-H257 PolarHBondContact O-N 3.33Å; A255-E258 PolarHBondContact O-N 3.29Å; A255-D259 PolarHBondContact O-N 3.09Å
256	K	94.6	Very high	95.6	Very high	100 Å²	100	68.6 Å²	68.6	44%	0.435	36%	0.355	S	S	.	.	H	α-helix	trans	-59.8	-42.6	173.9	-66.6	176.8	-171.4	169.3	0	111.7	S252 E253 D259 M260	S252-K256 PolarHBondContact O-N 2.89Å; S252-K256 VanDerWaalsContact O-N 3.09Å; E253-K256 PolarHBondContact O-N 3.32Å; E253-K256 WeakPolarHBondContact OE1-CE 3.44Å; E253-K256 IonicContact OE1-NZ 2.64Å; E253-K256 PolarHBondContact OE1-NZ 2.97Å; K256-D259 PolarHBondContact O-N 3.18Å; K256-M260 WeakPolarHBondContact O-CG 3.37Å; K256-M260 PolarHBondContact O-N 2.84Å; K256-M260 VanDerWaalsContact O-N 3.11Å
257	H	96.5	Very high	95.6	Very high	27 Å²	27	65.7 Å²	65.7	13%	0.125	34%	0.337	C	S	.	.	H	α-helix	trans	-61.4	-47.1	176.3	175.7	72.7	0	0	0	112.4	L227 H230 L234 E253 M254 A255 D259 M260 V261	L227-H257 PolarHBondContact O-CE1 3.29Å; H230-H257 AromaticContact ND1-CG 3.64Å; H230-H257 AromaticContact ND1-ND1 3.26Å; H230-H257 PolarHBondContact ND1-ND1 3.5Å; L234-H257 HydrophobicContact CD1-CB 3.73Å; E253-H257 WeakPolarHBondContact O-CB 3.28Å; E253-H257 PolarHBondContact O-N 3.33Å; M254-H257 WeakPolarHBondContact O-CB 3.47Å; M254-H257 PolarHBondContact O-N 3.47Å; A255-H257 VanDerWaalsContact C-N 3.32Å; A255-H257 PolarHBondContact O-N 3.33Å; H257-D259 PolarHBondContact O-N 2.99Å; H257-M260 PolarHBondContact O-N 3.1Å; H257-V261 WeakPolarHBondContact O-CG2 3.18Å; H257-V261 PolarHBondContact O-N 3.28Å
258	E	96.8	Very high	95.6	Very high	115 Å²	115	66 Å²	66	54%	0.537	33%	0.334	S	S	.	.	H	α-helix	trans	-63.8	-38.9	179.3	-74.9	177.8	-176.6	0	0	112.5	M254 A255 V261 T262	M254-E258 WeakPolarHBondContact O-CG 3.36Å; M254-E258 PolarHBondContact O-N 2.86Å; A255-E258 PolarHBondContact O-N 3.29Å; E258-V261 PolarHBondContact O-N 3.22Å; E258-T262 WeakPolarHBondContact O-CB 3.16Å; E258-T262 PolarHBondContact O-N 3.34Å; E258-T262 PolarHBondContact O-OG1 2.9Å
259	D	96.1	Very high	95.5	Very high	48 Å²	48	69.5 Å²	69.5	26%	0.257	33%	0.333	S	S	.	.	H	α-helix	trans	-59.8	-49.2	173.6	-177.6	69.8	0	0	0	111.1	R101 A255 K256 H257 V261 T262 K263	R101-D259 IonicContact NH1-OD1 3.72Å; A255-D259 PolarHBondContact O-N 3.09Å; K256-D259 PolarHBondContact O-N 3.18Å; H257-D259 PolarHBondContact O-N 2.99Å; D259-V261 PolarHBondContact O-N 2.92Å; D259-T262 WeakPolarHBondContact O-CB 3.47Å; D259-T262 PolarHBondContact O-N 3.39Å; D259-T262 VanDerWaalsContact O-N 3.15Å; D259-K263 WeakPolarHBondContact O-CG 3.39Å; D259-K263 PolarHBondContact O-N 2.67Å; D259-K263 WeakPolarHBondContact OD2-CE 3.26Å; D259-K263 IonicContact OD2-NZ 2.73Å; D259-K263 PolarHBondContact OD2-NZ 2.96Å
260	M	96.3	Very high	95.4	Very high	17 Å²	17	64.3 Å²	64.3	8%	0.084	31%	0.309	C	S	.	.	H	α-helix	trans	-63.7	-40.3	177.9	-73.5	-62.8	-70.6	0	0	113.2	I194 A197 Y201 L223 L227 K256 H257 T262 K263 L264	I194-M260 HydrophobicContact CD1-CG 3.98Å; A197-M260 HydrophobicContact CB-CE 4.32Å; Y201-M260 HydrophobicContact CD2-CE 4.49Å; Y201-M260 HydrophobicContact CG-CE 3.97Å; L223-M260 HydrophobicContact CD1-CE 4.24Å; L227-M260 HydrophobicContact CD1-CB 4.32Å; L227-M260 HydrophobicContact CD2-CB 3.98Å; K256-M260 WeakPolarHBondContact O-CG 3.37Å; K256-M260 PolarHBondContact O-N 2.84Å; K256-M260 VanDerWaalsContact O-N 3.11Å; H257-M260 PolarHBondContact O-N 3.1Å; M260-T262 VanDerWaalsContact C-N 3.28Å; M260-T262 PolarHBondContact O-N 3.35Å; M260-K263 PolarHBondContact O-N 2.83Å; M260-K263 HydrophobicContact SD-CD 4.3Å; M260-L264 WeakPolarHBondContact O-CB 3.23Å; M260-L264 PolarHBondContact O-N 2.94Å
261	V	97.3	Very high	95.2	Very high	32 Å²	32	64.4 Å²	64.4	19%	0.194	31%	0.309	C	S	.	.	H	α-helix	trans	-61.9	-39.3	174.4	168.1	0	0	0	0	111	L227 H257 E258 D259 K265	L227-V261 HydrophobicContact CB-CG2 4.42Å; L227-V261 HydrophobicContact CD1-CG2 3.98Å; H257-V261 WeakPolarHBondContact O-CG2 3.18Å; H257-V261 PolarHBondContact O-N 3.28Å; E258-V261 PolarHBondContact O-N 3.22Å; D259-V261 PolarHBondContact O-N 2.92Å; V261-K265 HydrophobicContact CG1-CD 4.07Å; V261-K265 WeakPolarHBondContact O-CB 3.47Å; V261-K265 VanDerWaalsContact O-CG 3.29Å; V261-K265 WeakPolarHBondContact O-CG 3.07Å; V261-K265 PolarHBondContact O-N 2.89Å
262	T	96.7	Very high	95	Very high	87 Å²	87	63.3 Å²	63.3	53%	0.534	31%	0.309	S	S	.	.	H	α-helix	trans	-66.6	-48.9	178.6	-59.5	0	0	0	0	111	E258 D259 M260 L264 K265 Y266	E258-T262 WeakPolarHBondContact O-CB 3.16Å; E258-T262 PolarHBondContact O-N 3.34Å; E258-T262 PolarHBondContact O-OG1 2.9Å; D259-T262 WeakPolarHBondContact O-CB 3.47Å; D259-T262 PolarHBondContact O-N 3.39Å; D259-T262 VanDerWaalsContact O-N 3.15Å; M260-T262 VanDerWaalsContact C-N 3.28Å; M260-T262 PolarHBondContact O-N 3.35Å; T262-L264 PolarHBondContact O-N 2.63Å; T262-K265 PolarHBondContact O-N 3.15Å; T262-Y266 PolarHBondContact O-N 3.36Å
263	K	95.6	Very high	94.7	Very high	51 Å²	51	63.6 Å²	63.6	22%	0.222	31%	0.306	C	S	.	.	H	α-helix	trans	-55.7	-48.1	174.5	-74.1	171.6	173.3	164.6	0	112	Y201 D259 M260 K265 Y266 R267	Y201-K263 HydrophobicContact CE1-CD 4.5Å; Y201-K263 HydrophobicContact CE2-CB 3.8Å; D259-K263 WeakPolarHBondContact O-CG 3.39Å; D259-K263 PolarHBondContact O-N 2.67Å; D259-K263 WeakPolarHBondContact OD2-CE 3.26Å; D259-K263 IonicContact OD2-NZ 2.73Å; D259-K263 PolarHBondContact OD2-NZ 2.96Å; M260-K263 PolarHBondContact O-N 2.83Å; M260-K263 HydrophobicContact SD-CD 4.3Å; K263-K265 PolarHBondContact O-N 3.41Å; K263-Y266 PolarHBondContact O-N 2.92Å; K263-R267 WeakPolarHBondContact O-CG 3.41Å; K263-R267 PolarHBondContact O-N 3.02Å
264	L	96.7	Very high	94.3	Very high	10 Å²	10	66.1 Å²	66.1	5%	0.052	32%	0.321	C	S	.	.	H	α-helix	trans	-60	-47.3	177.4	172.5	64.5	0	0	0	112.2	Y220 L223 L227 M260 T262 Y266 R267 R268	Y220-L264 HydrophobicContact CD1-CD1 4.11Å; Y220-L264 HydrophobicContact CG-CD1 3.95Å; L223-L264 HydrophobicContact CD2-CB 4.31Å; L223-L264 HydrophobicContact CD2-CD1 3.93Å; L223-L264 HydrophobicContact CD2-CG 4.48Å; L223-L264 HydrophobicContact CG-CD1 4.27Å; L223-L264 HydrophobicContact CG-CD2 4.19Å; L227-L264 HydrophobicContact CD1-CD2 3.97Å; M260-L264 WeakPolarHBondContact O-CB 3.23Å; M260-L264 PolarHBondContact O-N 2.94Å; T262-L264 PolarHBondContact O-N 2.63Å; L264-Y266 VanDerWaalsContact C-N 3.29Å; L264-Y266 PolarHBondContact O-N 3.42Å; L264-R267 PolarHBondContact O-N 3.39Å; L264-R268 HydrophobicContact CD1-CG 3.86Å; L264-R268 HydrophobicContact CG-CG 4.41Å; L264-R268 WeakPolarHBondContact O-CB 3.29Å; L264-R268 WeakPolarHBondContact O-CG 2.98Å; L264-R268 PolarHBondContact O-N 3.39Å
265	K	96.2	Very high	93.7	Very high	145 Å²	145	64.5 Å²	64.5	63%	0.63	32%	0.315	S	S	*	.	H	α-helix	trans	-59.8	-42.5	179.5	-78.5	173.3	-178.9	171.4	0	111.4	V261 T262 K263 Y269	V261-K265 HydrophobicContact CG1-CD 4.07Å; V261-K265 WeakPolarHBondContact O-CB 3.47Å; V261-K265 VanDerWaalsContact O-CG 3.29Å; V261-K265 WeakPolarHBondContact O-CG 3.07Å; V261-K265 PolarHBondContact O-N 2.89Å; T262-K265 PolarHBondContact O-N 3.15Å; K263-K265 PolarHBondContact O-N 3.41Å; K265-Y269 WeakPolarHBondContact O-CB 3.38Å; K265-Y269 PolarHBondContact O-N 3.41Å
266	Y	93.9	Very high	92.8	Very high	82 Å²	82	65.1 Å²	65.1	32%	0.322	31%	0.308	S	S	.	.	H	α-helix	trans	-61.3	-51.4	176.3	177.4	-106.8	0	0	0	111.7	T262 K263 L264 R268 Y269 M270	T262-Y266 PolarHBondContact O-N 3.36Å; K263-Y266 PolarHBondContact O-N 2.92Å; L264-Y266 VanDerWaalsContact C-N 3.29Å; L264-Y266 PolarHBondContact O-N 3.42Å; Y266-R268 PolarHBondContact O-N 3.12Å; Y266-Y269 WeakPolarHBondContact O-CB 3.47Å; Y266-Y269 PolarHBondContact O-N 3.08Å; Y266-Y269 VanDerWaalsContact O-N 3.17Å; Y266-M270 HydrophobicContact CE1-CG 4.13Å; Y266-M270 HydrophobicContact CE2-CG 4.21Å; Y266-M270 HydrophobicContact CE2-SD 4.22Å; Y266-M270 WeakPolarHBondContact O-CG 3.24Å; Y266-M270 PolarHBondContact O-N 3.19Å
267	R	94.7	Very high	92.2	Very high	32 Å²	32	61.5 Å²	61.5	12%	0.121	30%	0.3	C	S	.	.	H	α-helix	trans	-60.9	-45.2	179.3	-65.9	-69.4	170.1	-177.2	-2.2	112.7	E103 Y201 E208 Y220 K263 L264 Y269 M270 I271	E103-R267 IonicContact OE2-NH2 3.96Å; Y201-R267 HydrophobicContact CE2-CG 4.09Å; E208-R267 IonicContact OE1-NH1 2.7Å; E208-R267 PolarHBondContact OE1-NH1 3.48Å; E208-R267 VanDerWaalsContact OE1-NH1 3.13Å; E208-R267 WeakPolarHBondContact OE2-CD 3.31Å; Y220-R267 HydrophobicContact CD2-CB 4.39Å; Y220-R267 HydrophobicContact CE2-CB 3.65Å; Y220-R267 HydrophobicContact CE2-CG 4.49Å; K263-R267 WeakPolarHBondContact O-CG 3.41Å; K263-R267 PolarHBondContact O-N 3.02Å; L264-R267 PolarHBondContact O-N 3.39Å; R267-Y269 VanDerWaalsContact C-N 3.31Å; R267-Y269 PolarHBondContact O-N 3.4Å; R267-M270 WeakPolarHBondContact O-CB 3.14Å; R267-M270 PolarHBondContact O-N 3.2Å; R267-M270 VanDerWaalsContact O-N 3.11Å; R267-I271 PolarHBondContact O-N 3.29Å
268	R	94.3	Very high	91.6	Very high	91 Å²	91	65.8 Å²	65.8	34%	0.343	32%	0.318	S	S	.	.	H	α-helix	trans	-59.3	-42	174.7	-74.3	-174.9	66.6	155.7	8.1	112.2	L264 Y266 M270 I271 D272	L264-R268 HydrophobicContact CD1-CG 3.86Å; L264-R268 HydrophobicContact CG-CG 4.41Å; L264-R268 WeakPolarHBondContact O-CB 3.29Å; L264-R268 WeakPolarHBondContact O-CG 2.98Å; L264-R268 PolarHBondContact O-N 3.39Å; Y266-R268 PolarHBondContact O-N 3.12Å; R268-M270 VanDerWaalsContact C-N 3.33Å; R268-M270 PolarHBondContact O-N 3.45Å; R268-I271 PolarHBondContact O-N 3.09Å; R268-D272 VanDerWaalsContact O-CB 3.3Å; R268-D272 WeakPolarHBondContact O-CB 3.33Å; R268-D272 PolarHBondContact O-N 3.32Å
269	Y	93.1	Very high	90.9	Very high	144 Å²	144	65 Å²	65	57%	0.565	32%	0.316	S	S	*	.	H	α-helix	trans	-59.9	-43.4	174.8	173.1	-93.1	0	0	0	111.7	K265 Y266 R267 N273	K265-Y269 WeakPolarHBondContact O-CB 3.38Å; K265-Y269 PolarHBondContact O-N 3.41Å; Y266-Y269 WeakPolarHBondContact O-CB 3.47Å; Y266-Y269 PolarHBondContact O-N 3.08Å; Y266-Y269 VanDerWaalsContact O-N 3.17Å; R267-Y269 VanDerWaalsContact C-N 3.31Å; R267-Y269 PolarHBondContact O-N 3.4Å; Y269-N273 WeakPolarHBondContact CD2-ND2 3.14Å; Y269-N273 VanDerWaalsContact CE2-ND2 3.29Å; Y269-N273 WeakPolarHBondContact CE2-ND2 3.48Å; Y269-N273 WeakPolarHBondContact O-CB 3.43Å; Y269-N273 PolarHBondContact O-N 2.91Å; Y269-N273 PolarHBondContact O-ND2 3.03Å
270	M	91.3	Very high	90.3	Very high	22 Å²	22	69.5 Å²	69.5	11%	0.108	33%	0.333	C	S	.	.	H	α-helix	trans	-62.1	-44	178.5	-67.5	-59.5	-73	0	0	112.2	Y266 R267 R268 D274 A275 Q276 I279	Y266-M270 HydrophobicContact CE1-CG 4.13Å; Y266-M270 HydrophobicContact CE2-CG 4.21Å; Y266-M270 HydrophobicContact CE2-SD 4.22Å; Y266-M270 WeakPolarHBondContact O-CG 3.24Å; Y266-M270 PolarHBondContact O-N 3.19Å; R267-M270 WeakPolarHBondContact O-CB 3.14Å; R267-M270 PolarHBondContact O-N 3.2Å; R267-M270 VanDerWaalsContact O-N 3.11Å; R268-M270 VanDerWaalsContact C-N 3.33Å; R268-M270 PolarHBondContact O-N 3.45Å; M270-D274 PolarHBondContact O-N 2.88Å; M270-A275 HydrophobicContact CE-CB 3.75Å; M270-A275 PolarHBondContact O-N 3.47Å; M270-A275 HydrophobicContact SD-CB 3.7Å; M270-Q276 HydrophobicContact CE-CG 4Å; M270-I279 HydrophobicContact CE-CD1 4.28Å
271	I	91.6	Very high	89.9	Confident	17 Å²	17	73.4 Å²	73.4	9%	0.087	35%	0.352	C	S	.	.	H	α-helix	trans	-69.3	-51	178.6	-71	-178.1	0	0	0	112	E208 I213 A216 K217 Y220 R267 R268 N273 D274	E208-I271 HydrophobicContact CB-CD1 4.45Å; E208-I271 HydrophobicContact CG-CD1 4.18Å; E208-I271 HydrophobicContact CG-CG1 4.25Å; I213-I271 HydrophobicContact CG2-CG2 3.8Å; A216-I271 HydrophobicContact CB-CD1 3.87Å; K217-I271 HydrophobicContact CD-CG2 4.24Å; K217-I271 HydrophobicContact CG-CG2 3.9Å; Y220-I271 HydrophobicContact CD2-CD1 3.81Å; Y220-I271 HydrophobicContact CE2-CD1 3.51Å; R267-I271 PolarHBondContact O-N 3.29Å; R268-I271 PolarHBondContact O-N 3.09Å; I271-N273 PolarHBondContact O-N 3.45Å; I271-D274 PolarHBondContact O-N 3.02Å; I271-D274 VanDerWaalsContact O-N 3.16Å
272	D	90.6	Very high	89.3	Confident	99 Å²	99	80.7 Å²	80.7	53%	0.529	38%	0.375	S	S	.	.	H	α-helix	trans	-67.6	-26.4	-172.2	-72.9	-23.1	0	0	0	112.3	R268	R268-D272 VanDerWaalsContact O-CB 3.3Å; R268-D272 WeakPolarHBondContact O-CB 3.33Å; R268-D272 PolarHBondContact O-N 3.32Å
273	N	89.6	Confident	88.7	Confident	67 Å²	67	79.9 Å²	79.9	36%	0.358	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	1.2	178.6	-69.6	-81	0	0	0	114.1	Y269 I271 A275 K278	Y269-N273 WeakPolarHBondContact CD2-ND2 3.14Å; Y269-N273 VanDerWaalsContact CE2-ND2 3.29Å; Y269-N273 WeakPolarHBondContact CE2-ND2 3.48Å; Y269-N273 WeakPolarHBondContact O-CB 3.43Å; Y269-N273 PolarHBondContact O-N 2.91Å; Y269-N273 PolarHBondContact O-ND2 3.03Å; I271-N273 PolarHBondContact O-N 3.45Å; N273-A275 HydrophobicContact CB-CB 4.48Å; N273-A275 PolarHBondContact O-N 3.14Å; N273-K278 WeakPolarHBondContact O-CE 3.41Å; N273-K278 PolarHBondContact O-NZ 3.35Å
274	D	87.1	Confident	88.4	Confident	96 Å²	96	81.5 Å²	81.5	51%	0.513	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.6	41.7	-167.1	-174	32.8	0	0	0	110.8	M270 I271 Q276 G277 K278	M270-D274 PolarHBondContact O-N 2.88Å; I271-D274 PolarHBondContact O-N 3.02Å; I271-D274 VanDerWaalsContact O-N 3.16Å; D274-Q276 PolarHBondContact O-N 3.07Å; D274-G277 PolarHBondContact O-N 3.03Å; D274-G277 VanDerWaalsContact OD1-CA 3.24Å; D274-G277 WeakPolarHBondContact OD1-CA 3.41Å; D274-G277 PolarHBondContact OD1-N 3.05Å; D274-K278 WeakPolarHBondContact O-CB 3.31Å; D274-K278 WeakPolarHBondContact O-CG 3.42Å; D274-K278 PolarHBondContact O-N 3.38Å
275	A	82.1	Confident	88.1	Confident	15 Å²	15	86.6 Å²	86.6	12%	0.124	40%	0.403	C	S	.	.	H	α-helix	trans	-63.5	-37.9	-173.9	0	0	0	0	0	110	M270 N273 K278 I279	M270-A275 HydrophobicContact CE-CB 3.75Å; M270-A275 PolarHBondContact O-N 3.47Å; M270-A275 HydrophobicContact SD-CB 3.7Å; N273-A275 HydrophobicContact CB-CB 4.48Å; N273-A275 PolarHBondContact O-N 3.14Å; A275-K278 PolarHBondContact O-N 2.88Å; A275-I279 WeakPolarHBondContact O-CB 3.37Å; A275-I279 WeakPolarHBondContact O-CD1 3.37Å; A275-I279 WeakPolarHBondContact O-CG1 3.46Å; A275-I279 PolarHBondContact O-N 3.21Å
276	Q	77.5	Confident	87.4	Confident	70 Å²	70	83.8 Å²	83.8	33%	0.327	39%	0.394	S	S	.	.	H	α-helix	trans	-65.4	-46	174.9	-72.6	176.1	-16.2	0	0	112.2	E208 M270 D274 K278 I279 K280	E208-Q276 PolarHBondContact OE1-NE2 2.89Å; M270-Q276 HydrophobicContact CE-CG 4Å; D274-Q276 PolarHBondContact O-N 3.07Å; Q276-K278 VanDerWaalsContact C-N 3.32Å; Q276-K278 PolarHBondContact O-N 3.2Å; Q276-I279 PolarHBondContact O-N 3.16Å; Q276-K280 WeakPolarHBondContact O-CB 3.43Å; Q276-K280 PolarHBondContact O-N 3.28Å
277	G	82.6	Confident	87	Confident	25 Å²	25	84.2 Å²	84.2	26%	0.258	40%	0.4	S	S	.	.	H	α-helix	trans	-60.2	-42.3	176.2	0	0	0	0	0	112.1	D274 K280 E281	D274-G277 PolarHBondContact O-N 3.03Å; D274-G277 VanDerWaalsContact OD1-CA 3.24Å; D274-G277 WeakPolarHBondContact OD1-CA 3.41Å; D274-G277 PolarHBondContact OD1-N 3.05Å; G277-K280 PolarHBondContact O-N 3.37Å; G277-E281 VanDerWaalsContact O-CB 3.29Å; G277-E281 WeakPolarHBondContact O-CB 3.37Å; G277-E281 PolarHBondContact O-N 2.86Å
278	K	83.9	Confident	86.7	Confident	117 Å²	117	86.1 Å²	86.1	51%	0.509	42%	0.423	S	S	.	.	H	α-helix	trans	-66.6	-39.5	175.8	-71.1	170	-176.8	160.7	0	113.4	N273 D274 A275 Q276 R282	N273-K278 WeakPolarHBondContact O-CE 3.41Å; N273-K278 PolarHBondContact O-NZ 3.35Å; D274-K278 WeakPolarHBondContact O-CB 3.31Å; D274-K278 WeakPolarHBondContact O-CG 3.42Å; D274-K278 PolarHBondContact O-N 3.38Å; A275-K278 PolarHBondContact O-N 2.88Å; Q276-K278 VanDerWaalsContact C-N 3.32Å; Q276-K278 PolarHBondContact O-N 3.2Å; K278-R282 VanDerWaalsContact O-CB 3.31Å; K278-R282 WeakPolarHBondContact O-CB 3.49Å; K278-R282 PolarHBondContact O-N 2.96Å
279	I	81.9	Confident	86.4	Confident	99 Å²	99	86.5 Å²	86.5	51%	0.508	44%	0.435	S	S	.	.	H	α-helix	trans	-64.1	-48.7	175.2	-72.1	163.4	0	0	0	109.4	M270 A275 Q276 E281 R282 V283	M270-I279 HydrophobicContact CE-CD1 4.28Å; A275-I279 WeakPolarHBondContact O-CB 3.37Å; A275-I279 WeakPolarHBondContact O-CD1 3.37Å; A275-I279 WeakPolarHBondContact O-CG1 3.46Å; A275-I279 PolarHBondContact O-N 3.21Å; Q276-I279 PolarHBondContact O-N 3.16Å; I279-E281 PolarHBondContact O-N 3.09Å; I279-R282 WeakPolarHBondContact O-CB 3.41Å; I279-R282 PolarHBondContact O-N 3.34Å; I279-R282 VanDerWaalsContact O-N 3.15Å; I279-V283 HydrophobicContact CG2-CG2 4.48Å; I279-V283 WeakPolarHBondContact O-CG2 3.28Å; I279-V283 PolarHBondContact O-N 3.14Å
280	K	83.6	Confident	85.6	Confident	141 Å²	141	86.3 Å²	86.3	61%	0.613	44%	0.44	S	S	*	.	H	α-helix	trans	-59.4	-47.6	177.3	-174.4	177.1	-179.8	176.7	0	111.8	Q276 G277 R282 V283 D284	Q276-K280 WeakPolarHBondContact O-CB 3.43Å; Q276-K280 PolarHBondContact O-N 3.28Å; G277-K280 PolarHBondContact O-N 3.37Å; K280-R282 VanDerWaalsContact C-N 3.26Å; K280-R282 PolarHBondContact O-N 2.95Å; K280-V283 PolarHBondContact O-N 2.88Å; K280-D284 WeakPolarHBondContact O-CB 3.38Å; K280-D284 PolarHBondContact O-N 2.83Å
281	E	86.8	Confident	84.3	Confident	100 Å²	100	90 Å²	90	47%	0.467	46%	0.459	S	S	.	.	H	α-helix	trans	-59.7	-37.7	176.5	-169.8	-169	174.5	0	0	111.7	G277 I279 K285	G277-E281 VanDerWaalsContact O-CB 3.29Å; G277-E281 WeakPolarHBondContact O-CB 3.37Å; G277-E281 PolarHBondContact O-N 2.86Å; I279-E281 PolarHBondContact O-N 3.09Å; E281-K285 VanDerWaalsContact CD-NZ 3.33Å; E281-K285 HydrophobicContact CG-CD 4.39Å; E281-K285 WeakPolarHBondContact O-CB 3.45Å; E281-K285 VanDerWaalsContact O-CG 3.23Å; E281-K285 WeakPolarHBondContact O-CG 3.37Å; E281-K285 PolarHBondContact O-N 3.06Å; E281-K285 WeakPolarHBondContact OE1-CE 3.47Å; E281-K285 IonicContact OE1-NZ 2.58Å; E281-K285 PolarHBondContact OE1-NZ 3.46Å
282	R	85.7	Confident	82.9	Confident	184 Å²	184	93.5 Å²	93.5	69%	0.694	48%	0.483	S	S	*	.	H	α-helix	trans	-68.8	-42.2	176.4	-172.5	176.8	179.1	178.2	-1.5	112	K278 I279 K280 K285 M286	K278-R282 VanDerWaalsContact O-CB 3.31Å; K278-R282 WeakPolarHBondContact O-CB 3.49Å; K278-R282 PolarHBondContact O-N 2.96Å; I279-R282 WeakPolarHBondContact O-CB 3.41Å; I279-R282 PolarHBondContact O-N 3.34Å; I279-R282 VanDerWaalsContact O-N 3.15Å; K280-R282 VanDerWaalsContact C-N 3.26Å; K280-R282 PolarHBondContact O-N 2.95Å; R282-K285 PolarHBondContact O-N 3.31Å; R282-M286 WeakPolarHBondContact O-CG 3.1Å; R282-M286 PolarHBondContact O-N 3.35Å
283	V	84.2	Confident	81.5	Confident	71 Å²	71	96.8 Å²	96.8	43%	0.43	50%	0.495	S	S	.	.	H	α-helix	trans	-64.1	-46.8	175.6	171.6	0	0	0	0	110.6	I279 K280 K285 M286 I287	I279-V283 HydrophobicContact CG2-CG2 4.48Å; I279-V283 WeakPolarHBondContact O-CG2 3.28Å; I279-V283 PolarHBondContact O-N 3.14Å; K280-V283 PolarHBondContact O-N 2.88Å; V283-K285 VanDerWaalsContact C-N 3.32Å; V283-K285 PolarHBondContact O-N 2.62Å; V283-M286 WeakPolarHBondContact O-CB 3.28Å; V283-M286 PolarHBondContact O-N 2.94Å; V283-M286 VanDerWaalsContact O-N 3.13Å; V283-I287 HydrophobicContact CG1-CD1 3.8Å; V283-I287 HydrophobicContact CG1-CG1 4.41Å; V283-I287 WeakPolarHBondContact O-CG1 3.33Å; V283-I287 PolarHBondContact O-N 3.39Å
284	D	89.1	Confident	79.9	Confident	85 Å²	85	100.2 Å²	100.2	46%	0.455	51%	0.512	S	S	.	.	H	α-helix	trans	-61.3	-40.8	177.5	-71.8	-20.4	0	0	0	111.5	K280 I287 A288	K280-D284 WeakPolarHBondContact O-CB 3.38Å; K280-D284 PolarHBondContact O-N 2.83Å; D284-I287 PolarHBondContact O-N 3.13Å; D284-A288 VanDerWaalsContact O-CB 3.27Å; D284-A288 WeakPolarHBondContact O-CB 3.37Å; D284-A288 PolarHBondContact O-N 2.7Å
285	K	90.1	Very high	78.5	Confident	117 Å²	117	103.3 Å²	103.3	51%	0.509	52%	0.524	S	S	.	.	H	α-helix	trans	-62	-45.3	172.9	-79.4	172.9	-174.3	166.7	0	111.8	E281 R282 V283 A288 T289	E281-K285 VanDerWaalsContact CD-NZ 3.33Å; E281-K285 HydrophobicContact CG-CD 4.39Å; E281-K285 WeakPolarHBondContact O-CB 3.45Å; E281-K285 VanDerWaalsContact O-CG 3.23Å; E281-K285 WeakPolarHBondContact O-CG 3.37Å; E281-K285 PolarHBondContact O-N 3.06Å; E281-K285 WeakPolarHBondContact OE1-CE 3.47Å; E281-K285 IonicContact OE1-NZ 2.58Å; E281-K285 PolarHBondContact OE1-NZ 3.46Å; R282-K285 PolarHBondContact O-N 3.31Å; V283-K285 VanDerWaalsContact C-N 3.32Å; V283-K285 PolarHBondContact O-N 2.62Å; K285-A288 PolarHBondContact O-N 3.43Å; K285-T289 WeakPolarHBondContact O-CB 3.5Å; K285-T289 WeakPolarHBondContact O-CG2 2.91Å; K285-T289 PolarHBondContact O-N 3.49Å; K285-T289 PolarHBondContact O-OG1 2.71Å
286	M	82.7	Confident	77.2	Confident	86 Å²	86	109 Å²	109	42%	0.424	56%	0.557	S	S	.	*	H	α-helix	trans	-61	-47.4	177	-77.2	179.7	59.5	0	0	111.6	R282 V283 A288 T289 E290	R282-M286 WeakPolarHBondContact O-CG 3.1Å; R282-M286 PolarHBondContact O-N 3.35Å; V283-M286 WeakPolarHBondContact O-CB 3.28Å; V283-M286 PolarHBondContact O-N 2.94Å; V283-M286 VanDerWaalsContact O-N 3.13Å; M286-A288 VanDerWaalsContact C-N 3.3Å; M286-A288 PolarHBondContact O-N 2.97Å; M286-T289 PolarHBondContact O-N 2.67Å; M286-T289 PolarHBondContact O-OG1 2.97Å; M286-E290 VanDerWaalsContact O-CB 3.31Å; M286-E290 WeakPolarHBondContact O-CB 3.4Å; M286-E290 PolarHBondContact O-N 2.88Å
287	I	85	Confident	76.5	Confident	90 Å²	90	112.3 Å²	112.3	46%	0.462	58%	0.576	S	S	.	*	H	α-helix	trans	-57.4	-45.2	175.8	-70.2	170.6	0	0	0	110.5	V283 D284 I291	V283-I287 HydrophobicContact CG1-CD1 3.8Å; V283-I287 HydrophobicContact CG1-CG1 4.41Å; V283-I287 WeakPolarHBondContact O-CG1 3.33Å; V283-I287 PolarHBondContact O-N 3.39Å; D284-I287 PolarHBondContact O-N 3.13Å; I287-I291 HydrophobicContact CG2-CD1 4.14Å; I287-I291 PolarHBondContact O-N 3.44Å
288	A	88.1	Confident	75.4	Confident	72 Å²	72	114.9 Å²	114.9	60%	0.595	60%	0.595	S	S	*	*	H	α-helix	trans	-67.9	-33.4	179.5	0	0	0	0	0	113.5	D284 K285 M286	D284-A288 VanDerWaalsContact O-CB 3.27Å; D284-A288 WeakPolarHBondContact O-CB 3.37Å; D284-A288 PolarHBondContact O-N 2.7Å; K285-A288 PolarHBondContact O-N 3.43Å; M286-A288 VanDerWaalsContact C-N 3.3Å; M286-A288 PolarHBondContact O-N 2.97Å
289	T	88.3	Confident	74.4	Confident	99 Å²	99	114.7 Å²	114.7	61%	0.607	60%	0.603	S	S	*	*	H	α-helix	trans	-89.9	-30.3	-178.3	53.8	0	0	0	0	114.6	K285 M286 P292	K285-T289 WeakPolarHBondContact O-CB 3.5Å; K285-T289 WeakPolarHBondContact O-CG2 2.91Å; K285-T289 PolarHBondContact O-N 3.49Å; K285-T289 PolarHBondContact O-OG1 2.71Å; M286-T289 PolarHBondContact O-N 2.67Å; M286-T289 PolarHBondContact O-OG1 2.97Å; T289-P292 WeakPolarHBondContact O-CD 3.39Å; T289-P292 WeakPolarHBondContact O-CG 3.35Å
290	E	74.9	Confident	73.5	Confident	141 Å²	141	119.1 Å²	119.1	66%	0.659	62%	0.619	S	S	*	*	H	α-helix	trans	-102.5	-23.8	-171.3	-63.9	-176.7	168.5	0	0	114	M286 P292	M286-E290 VanDerWaalsContact O-CB 3.31Å; M286-E290 WeakPolarHBondContact O-CB 3.4Å; M286-E290 PolarHBondContact O-N 2.88Å; E290-P292 WeakPolarHBondContact O-CD 3.46Å
291	I	65.5	Low	72.5	Confident	99 Å²	99	123.2 Å²	123.2	51%	0.508	63%	0.63	S	S	.	*			trans	-94.9	29	172.4	-38.7	-179.9	0	0	0	115	I287 Q293 L294	I287-I291 HydrophobicContact CG2-CD1 4.14Å; I287-I291 PolarHBondContact O-N 3.44Å; I291-Q293 PolarHBondContact O-N 3.25Å; I291-L294 HydrophobicContact CG2-CB 4.34Å; I291-L294 HydrophobicContact CG2-CD1 4.19Å; I291-L294 HydrophobicContact CG2-CG 4.49Å
292	P	61.2	Low	71.6	Confident	91 Å²	91	127.3 Å²	127.3	59%	0.591	65%	0.646	S	S	*	*	S	Bend	trans	-67.7	-8.1	169.7	-26	34.7	0	0	0	116.2	T289 E290	T289-P292 WeakPolarHBondContact O-CD 3.39Å; T289-P292 WeakPolarHBondContact O-CG 3.35Å; E290-P292 WeakPolarHBondContact O-CD 3.46Å
293	Q	61.3	Low	70.6	Confident	167 Å²	167	126.2 Å²	126.2	78%	0.78	65%	0.649	S	S	*	*			trans	-142.9	25.3	-171.1	-65.8	-164.3	3.4	0	0	117.1	I291 Q295	I291-Q293 PolarHBondContact O-N 3.25Å; Q293-Q295 PolarHBondContact O-N 3.41Å
294	L	56.4	Low	69.7	Low	139 Å²	139	128 Å²	128	73%	0.728	66%	0.661	S	S	*	*			trans	-72.7	74.8	148.3	-74.2	172.9	0	0	0	106.8	I291 T296	I291-L294 HydrophobicContact CG2-CB 4.34Å; I291-L294 HydrophobicContact CG2-CD1 4.19Å; I291-L294 HydrophobicContact CG2-CG 4.49Å; L294-T296 PolarHBondContact O-N 2.75Å
295	Q	57	Low	68.3	Low	161 Å²	161	130.1 Å²	130.1	75%	0.752	67%	0.672	S	S	*	*			trans	-41.5	115.9	150.7	-71.4	-177.8	-9.4	0	0	104.1	Q293 I297	Q293-Q295 PolarHBondContact O-N 3.41Å; Q295-I297 PolarHBondContact O-N 2.9Å
296	T	56.4	Low	67.3	Low	135 Å²	135	131.4 Å²	131.4	83%	0.828	68%	0.684	S	S	*	*			trans	-40.6	100.2	165.7	35.9	0	0	0	0	106.1	L294 A298	L294-T296 PolarHBondContact O-N 2.75Å; T296-A298 PolarHBondContact O-N 2.75Å
297	I	62	Low	66.4	Low	140 Å²	140	134 Å²	134	72%	0.718	70%	0.7	S	S	*	*			trans	-65.7	94.5	168.9	-64.3	175.8	0	0	0	99.9	Q295 V299	Q295-I297 PolarHBondContact O-N 2.9Å; I297-V299 HydrophobicContact CG2-CG2 4.36Å; I297-V299 PolarHBondContact O-N 2.98Å
298	A	58.9	Low	65.5	Low	79 Å²	79	135.6 Å²	135.6	65%	0.653	71%	0.713	S	S	*	*			trans	-59	91.2	169.4	0	0	0	0	0	103	T296 K300	T296-A298 PolarHBondContact O-N 2.75Å; A298-K300 PolarHBondContact O-N 2.96Å
299	V	63.2	Low	64.3	Low	113 Å²	113	137.8 Å²	137.8	69%	0.685	72%	0.719	S	S	*	*			trans	-61.6	93.1	166.6	178.5	0	0	0	0	101.7	I297 R301	I297-V299 HydrophobicContact CG2-CG2 4.36Å; I297-V299 PolarHBondContact O-N 2.98Å; V299-R301 HydrophobicContact CG1-CG 4.36Å; V299-R301 PolarHBondContact O-N 3.37Å
300	K	63	Low	63.2	Low	192 Å²	192	138.5 Å²	138.5	84%	0.835	73%	0.729	S	S	*	*			trans	-58.6	88	163.5	-73.9	-177.4	177.4	179.7	0	103.1	A298 K302	A298-K300 PolarHBondContact O-N 2.96Å; K300-K302 VanDerWaalsContact C-N 3.28Å; K300-K302 PolarHBondContact O-N 2.74Å
301	R	62.4	Low	62.7	Low	226 Å²	226	141.2 Å²	141.2	85%	0.853	74%	0.738	S	S	*	*			trans	-54	108.2	166.6	-74.4	-175.5	-179.6	-179.2	-0.1	103	V299 Q303	V299-R301 HydrophobicContact CG1-CG 4.36Å; V299-R301 PolarHBondContact O-N 3.37Å; R301-Q303 VanDerWaalsContact C-N 3.25Å; R301-Q303 PolarHBondContact O-N 2.71Å
302	K	69.2	Low	62.5	Low	186 Å²	186	148 Å²	148	81%	0.809	76%	0.758	S	S	*	*			trans	-59.3	102.2	176.3	-174.9	179	178.8	-174.5	0	104.1	K300 T304	K300-K302 VanDerWaalsContact C-N 3.28Å; K300-K302 PolarHBondContact O-N 2.74Å; K302-T304 PolarHBondContact O-N 2.7Å
303	Q	63.1	Low	62.3	Low	162 Å²	162	149.1 Å²	149.1	76%	0.757	77%	0.765	S	S	*	*			trans	-61.8	92.9	172.7	-164.3	169.6	-4.3	0	0	104.8	R301 D305	R301-Q303 VanDerWaalsContact C-N 3.25Å; R301-Q303 PolarHBondContact O-N 2.71Å; Q303-D305 VanDerWaalsContact C-N 3.25Å; Q303-D305 PolarHBondContact O-N 2.83Å; Q303-D305 VanDerWaalsContact O-N 3.09Å
304	T	65.5	Low	62.2	Low	109 Å²	109	147.2 Å²	147.2	67%	0.669	77%	0.769	S	S	*	*			trans	-69.6	97.8	161.2	26.6	0	0	0	0	105	K302 D306	K302-T304 PolarHBondContact O-N 2.7Å; T304-D306 PolarHBondContact O-N 2.84Å
305	D	59.4	Low	62.5	Low	129 Å²	129	146.4 Å²	146.4	69%	0.69	77%	0.772	S	S	*	*			trans	-61	77.3	163.5	-70.4	-37.7	0	0	0	108.6	Q303	Q303-D305 VanDerWaalsContact C-N 3.25Å; Q303-D305 PolarHBondContact O-N 2.83Å; Q303-D305 VanDerWaalsContact O-N 3.09Å
306	D	69.2	Low	63	Low	144 Å²	144	148.2 Å²	148.2	77%	0.77	78%	0.78	S	S	*	*			trans	-98.2	80	158.2	-81.4	-34	0	0	0	107.6	T304 V308	T304-D306 PolarHBondContact O-N 2.84Å; D306-V308 PolarHBondContact O-N 3Å; D306-V308 VanDerWaalsContact O-N 3.16Å
307	D	64.1	Low	63.1	Low	141 Å²	141	144.8 Å²	144.8	75%	0.754	77%	0.772	S	S	*	*			trans	-71	88	164.1	-170.4	9.6	0	0	0	108.7
308	V	66	Low	62.4	Low	122 Å²	122	146.8 Å²	146.8	74%	0.739	78%	0.777	S	S	*	*			trans	-123.8	81.2	163.4	-175.3	0	0	0	0	109.4	D306 S310	D306-V308 PolarHBondContact O-N 3Å; D306-V308 VanDerWaalsContact O-N 3.16Å; V308-S310 PolarHBondContact O-N 2.99Å
309	T	63.3	Low	62	Low	118 Å²	118	155.6 Å²	155.6	72%	0.724	81%	0.805	S	S	*	*			trans	-4.9	111.6	139.4	41.6	0	0	0	0	115.9
310	S	65.9	Low	62	Low	115 Å²	115	157.8 Å²	157.8	80%	0.804	81%	0.811	S	S	*	*			trans	-148	96.9	147.1	-163.7	0	0	0	0	111	V308	V308-S310 PolarHBondContact O-N 2.99Å
311	K	64	Low	61.9	Low	197 Å²	197	155.9 Å²	155.9	86%	0.857	81%	0.81	S	S	*	*			trans	-50.6	136.4	160.4	-68.2	169.2	172.7	175.2	0	109.6
312	R	60.9	Low	61.9	Low	243 Å²	243	152.1 Å²	152.1	92%	0.917	81%	0.808	S	S	*	*			trans	-159.3	145.9	131.3	-111.4	174	-175.9	-156.7	0.3	112.2
313	P	56.6	Low	61.5	Low	114 Å²	114	150.1 Å²	150.1	74%	0.74	81%	0.807	S	S	*	*			trans	-90.6	147.4	-160.7	36.1	-30.9	0	0	0	111.2
314	C	60.6	Low	61.4	Low	127 Å²	127	149.3 Å²	149.3	86%	0.858	81%	0.811	S	S	*	*			trans	-104.3	133.4	157.2	-79.9	0	0	0	0	109.1
315	P	61.5	Low	61.1	Low	122 Å²	122	152 Å²	152	79%	0.792	82%	0.82	S	S	*	*			trans	-72.5	139.2	-169.6	29.8	-34	0	0	0	111.9
316	E	67.5	Low	61.2	Low	199 Å²	199	153.6 Å²	153.6	93%	0.93	83%	0.829	S	S	*	*			trans	-62.4	141	145.6	-66.6	173.8	154	0	0	109.2
317	G	59.3	Low	60.6	Low	63 Å²	63	154.4 Å²	154.4	65%	0.649	83%	0.834	S	S	*	*			trans	151.6	94.8	166.7	0	0	0	0	0	109.7
318	H	46.4	Very low	60.3	Low	182 Å²	182	155.5 Å²	155.5	84%	0.843	84%	0.841	S	S	*	*				104.8	119.7	72.7	-103	-62.1	0	0	0	108.5
319	E	51.8	Low	59.8	Low	264 Å²	264	158.5 Å²	158.5	100%	1.234	85%	0.85	S	S	*	*			trans	77.9	0	164.9	-61.4	-177.5	160.7	0	0	118

Retrieved 319 of 319 residues in 459.6 ms (Link to these results)

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