A0A087YNE4_POEFO Loading...

Sperm-associated antigen 7 homolog

AlphaFold DB , UniProt , Accession A0A087YNE4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 229 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	52.4	Low	68.9	Low	248 Å²	248	114.5 Å²	114.5	100%	1.222	67%	0.666	S	S	*	*				0	114.3	0	-65.1	-178	-165.2	0	0	106.4
2	A	56.2	Low	69.4	Low	100 Å²	100	115.4 Å²	115.4	83%	0.826	66%	0.662	S	S	*	*			trans	-69.9	131.8	176.2	0	0	0	0	0	108.4	L4	A2-L4 PolarHBondContact O-N 3.32Å
3	D	71.8	Confident	68.6	Low	113 Å²	113	121.4 Å²	121.4	60%	0.604	68%	0.68	S	S	*	*			trans	-66.5	102.7	178.1	-171.6	-2.1	0	0	0	109.1	L5 G6 S7	D3-L5 PolarHBondContact O-N 2.9Å; D3-L5 PolarHBondContact OD1-N 3.48Å; D3-G6 PolarHBondContact O-N 3.38Å; D3-G6 VanDerWaalsContact O-N 3.07Å; D3-S7 PolarHBondContact O-N 2.84Å
4	L	71.9	Confident	68.6	Low	132 Å²	132	123.2 Å²	123.2	69%	0.691	68%	0.677	S	S	*	*	H	α-helix	trans	-58.5	-33.3	-176.4	-171.4	69.8	0	0	0	111	A2 S7 I8	A2-L4 PolarHBondContact O-N 3.32Å; L4-S7 PolarHBondContact O-N 3.48Å; L4-I8 HydrophobicContact CG-CD1 4.18Å; L4-I8 WeakPolarHBondContact O-CD1 3.45Å; L4-I8 VanDerWaalsContact O-CG1 3.25Å; L4-I8 WeakPolarHBondContact O-CG1 3.34Å; L4-I8 PolarHBondContact O-N 2.93Å; L4-I8 VanDerWaalsContact O-N 3.14Å
5	L	71.4	Confident	68	Low	122 Å²	122	122.3 Å²	122.3	64%	0.639	68%	0.679	S	S	*	*	H	α-helix	trans	-71.3	-39.5	176.9	-70.1	169.8	0	0	0	111.6	D3 S7 I8 L9	D3-L5 PolarHBondContact O-N 2.9Å; D3-L5 PolarHBondContact OD1-N 3.48Å; L5-S7 VanDerWaalsContact C-N 3.31Å; L5-S7 PolarHBondContact O-N 3.18Å; L5-I8 PolarHBondContact O-N 2.99Å; L5-L9 WeakPolarHBondContact O-CB 3.23Å; L5-L9 PolarHBondContact O-N 2.9Å
6	G	73.6	Confident	67.4	Low	35 Å²	35	122.6 Å²	122.6	36%	0.361	69%	0.688	S	S	.	*	H	α-helix	trans	-63.7	-36.1	173.8	0	0	0	0	0	112.9	D3 N10	D3-G6 PolarHBondContact O-N 3.38Å; D3-G6 VanDerWaalsContact O-N 3.07Å; G6-N10 WeakPolarHBondContact O-CB 3.26Å; G6-N10 PolarHBondContact O-N 3.42Å
7	S	76.7	Confident	66.9	Low	83 Å²	83	120.7 Å²	120.7	58%	0.58	68%	0.681	S	S	*	*	H	α-helix	trans	-73.4	-28.6	177.4	-148	0	0	0	0	113.3	D3 L4 L5 S11	D3-S7 PolarHBondContact O-N 2.84Å; L4-S7 PolarHBondContact O-N 3.48Å; L5-S7 VanDerWaalsContact C-N 3.31Å; L5-S7 PolarHBondContact O-N 3.18Å; S7-S11 PolarHBondContact O-OG 3.46Å
8	I	72.7	Confident	66.3	Low	89 Å²	89	121.9 Å²	121.9	46%	0.456	69%	0.691	S	S	.	*	H	α-helix	trans	-79.8	-40.4	174.7	-67.4	165.8	0	0	0	111.2	L4 L5 N10 S11 M12	L4-I8 HydrophobicContact CG-CD1 4.18Å; L4-I8 WeakPolarHBondContact O-CD1 3.45Å; L4-I8 VanDerWaalsContact O-CG1 3.25Å; L4-I8 WeakPolarHBondContact O-CG1 3.34Å; L4-I8 PolarHBondContact O-N 2.93Å; L4-I8 VanDerWaalsContact O-N 3.14Å; L5-I8 PolarHBondContact O-N 2.99Å; I8-N10 VanDerWaalsContact C-N 3.29Å; I8-N10 PolarHBondContact O-N 3.33Å; I8-S11 PolarHBondContact O-N 3.3Å; I8-S11 PolarHBondContact O-OG 3.16Å; I8-M12 PolarHBondContact O-N 3.4Å
9	L	70.1	Confident	65.8	Low	126 Å²	126	117.7 Å²	117.7	66%	0.66	68%	0.678	S	S	*	*	H	α-helix	trans	-66.6	-29.1	177.6	-88.9	155.9	0	0	0	113.3	L5	L5-L9 WeakPolarHBondContact O-CB 3.23Å; L5-L9 PolarHBondContact O-N 2.9Å
10	N	69.8	Low	66	Low	121 Å²	121	116.1 Å²	116.1	65%	0.647	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-12.3	179.3	-139	36.1	0	0	0	113.3	G6 I8	G6-N10 WeakPolarHBondContact O-CB 3.26Å; G6-N10 PolarHBondContact O-N 3.42Å; I8-N10 VanDerWaalsContact C-N 3.29Å; I8-N10 PolarHBondContact O-N 3.33Å
11	S	71.1	Confident	66.4	Low	91 Å²	91	118.7 Å²	118.7	64%	0.636	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	-11.9	174.8	68.1	0	0	0	0	113.6	S7 I8	S7-S11 PolarHBondContact O-OG 3.46Å; I8-S11 PolarHBondContact O-N 3.3Å; I8-S11 PolarHBondContact O-OG 3.16Å
12	M	74.6	Confident	67.6	Low	125 Å²	125	112.9 Å²	112.9	62%	0.616	64%	0.642	S	S	*	*	S	Bend	trans	-72.1	130.8	169.4	-68.3	-179.9	70.9	0	0	110	I8 K14	I8-M12 PolarHBondContact O-N 3.4Å; M12-K14 PolarHBondContact O-N 3.31Å; M12-K14 VanDerWaalsContact O-N 3.09Å
13	E	60.2	Low	68.6	Low	193 Å²	193	111.1 Å²	111.1	90%	0.902	62%	0.624	S	S	*	*			trans	-58.5	115.3	175.2	-165.6	172.4	-166.4	0	0	108.9
14	K	68.1	Low	69	Low	147 Å²	147	112.5 Å²	112.5	64%	0.639	62%	0.621	S	S	*	*			trans	-63.9	132.2	-176.7	-70.6	178.1	-177	175.8	0	108.5	M12	M12-K14 PolarHBondContact O-N 3.31Å; M12-K14 VanDerWaalsContact O-N 3.09Å
15	P	59.4	Low	69.5	Low	109 Å²	109	115.1 Å²	115.1	71%	0.708	62%	0.622	S	S	*	*			trans	-57.3	140.7	178.5	22.4	-31.8	0	0	0	109.5	T17	P15-T17 PolarHBondContact O-N 3.34Å
16	P	57.8	Low	70.1	Confident	127 Å²	127	114.8 Å²	114.8	83%	0.825	62%	0.615	S	S	*	*			trans	-56.6	113.7	-171.8	20.3	-31.6	0	0	0	110.4	V18	P16-V18 PolarHBondContact O-N 2.71Å
17	T	58.8	Low	70.7	Confident	91 Å²	91	115.8 Å²	115.8	56%	0.558	62%	0.62	S	S	*	*			trans	-69.5	126.2	-178.3	-16.1	0	0	0	0	109	P15 G19 D20	P15-T17 PolarHBondContact O-N 3.34Å; T17-G19 PolarHBondContact O-N 3.16Å; T17-D20 PolarHBondContact O-N 3.25Å
18	V	56.2	Low	71.2	Confident	142 Å²	142	121.1 Å²	121.1	86%	0.861	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	17.8	-175.6	-126.6	0	0	0	0	114.9	P16 R24	P16-V18 PolarHBondContact O-N 2.71Å; V18-R24 PolarHBondContact O-NH2 3.15Å
19	G	57.2	Low	72	Confident	43 Å²	43	121.2 Å²	121.2	44%	0.443	63%	0.626	S	S	.	*	T	Hydrogen-bonded Turn	trans	-145.8	7.7	-171.3	0	0	0	0	0	115.8	T17 Q21	T17-G19 PolarHBondContact O-N 3.16Å; G19-Q21 PolarHBondContact O-N 3.12Å
20	D	69.8	Low	72.9	Confident	84 Å²	84	121.4 Å²	121.4	45%	0.449	62%	0.623	S	S	.	*			trans	-60.8	107.9	-179.4	-83.4	-15.3	0	0	0	111.1	T17 E22 S23 R24	T17-D20 PolarHBondContact O-N 3.25Å; D20-E22 PolarHBondContact O-N 3.14Å; D20-E22 VanDerWaalsContact O-N 3.13Å; D20-S23 WeakPolarHBondContact CB-OG 3.44Å; D20-S23 PolarHBondContact O-N 3.38Å; D20-S23 PolarHBondContact O-OG 3.41Å; D20-R24 PolarHBondContact O-N 3.19Å; D20-R24 VanDerWaalsContact O-N 3.12Å
21	Q	75.3	Confident	74	Confident	172 Å²	172	118.4 Å²	118.4	80%	0.804	62%	0.615	S	S	*	*	H	α-helix	trans	-57.7	-30.4	-178.4	-169	178.7	7.5	0	0	111.5	G19 R25	G19-Q21 PolarHBondContact O-N 3.12Å; Q21-R25 WeakPolarHBondContact O-CB 3.46Å; Q21-R25 PolarHBondContact O-N 3.34Å
22	E	76.9	Confident	75	Confident	125 Å²	125	117 Å²	117	58%	0.584	61%	0.609	S	S	*	*	H	α-helix	trans	-71.9	-40.6	176.6	-160.9	-173.3	152.9	0	0	112.8	D20 R25 K26	D20-E22 PolarHBondContact O-N 3.14Å; D20-E22 VanDerWaalsContact O-N 3.13Å; E22-R25 PolarHBondContact O-N 3.33Å; E22-K26 WeakPolarHBondContact O-CG 3.48Å; E22-K26 PolarHBondContact O-N 3.09Å; E22-K26 WeakPolarHBondContact OE1-CE 3.45Å; E22-K26 IonicContact OE1-NZ 3.5Å; E22-K26 PolarHBondContact OE1-NZ 2.85Å
23	S	78.3	Confident	75.9	Confident	64 Å²	64	118.8 Å²	118.8	45%	0.448	61%	0.609	S	S	.	*	H	α-helix	trans	-66.8	-40.1	176.7	71.7	0	0	0	0	110.9	D20 R25 K26 A27	D20-S23 WeakPolarHBondContact CB-OG 3.44Å; D20-S23 PolarHBondContact O-N 3.38Å; D20-S23 PolarHBondContact O-OG 3.41Å; S23-R25 PolarHBondContact O-N 3.05Å; S23-K26 PolarHBondContact O-N 3.37Å; S23-A27 WeakPolarHBondContact O-CB 3.48Å; S23-A27 PolarHBondContact O-N 3.33Å
24	R	79.3	Confident	77.4	Confident	142 Å²	142	115.4 Å²	115.4	54%	0.536	60%	0.596	S	S	.	*	H	α-helix	trans	-63.5	-38.1	172.6	-68.1	-180	-177.7	-179	1.6	112.4	V18 D20 R28	V18-R24 PolarHBondContact O-NH2 3.15Å; D20-R24 PolarHBondContact O-N 3.19Å; D20-R24 VanDerWaalsContact O-N 3.12Å; R24-R28 WeakPolarHBondContact O-CB 3.2Å; R24-R28 VanDerWaalsContact O-CG 3.28Å; R24-R28 WeakPolarHBondContact O-CG 3.2Å; R24-R28 PolarHBondContact O-N 2.98Å
25	R	82.3	Confident	78.6	Confident	187 Å²	187	115.3 Å²	115.3	71%	0.706	60%	0.596	S	S	*	*	H	α-helix	trans	-66.5	-45.9	176	-174.4	178.7	174.4	-177.8	-1.3	111.4	Q21 E22 S23 R28 E29	Q21-R25 WeakPolarHBondContact O-CB 3.46Å; Q21-R25 PolarHBondContact O-N 3.34Å; E22-R25 PolarHBondContact O-N 3.33Å; S23-R25 PolarHBondContact O-N 3.05Å; R25-R28 PolarHBondContact O-N 3.36Å; R25-E29 PolarHBondContact O-N 2.92Å
26	K	84.7	Confident	80.3	Confident	115 Å²	115	117 Å²	117	50%	0.5	59%	0.592	S	S	.	*	H	α-helix	trans	-61.7	-43.1	176.1	-72.6	175.3	-175.3	166.7	0	111.8	E22 S23 E29 Q30	E22-K26 WeakPolarHBondContact O-CG 3.48Å; E22-K26 PolarHBondContact O-N 3.09Å; E22-K26 WeakPolarHBondContact OE1-CE 3.45Å; E22-K26 IonicContact OE1-NZ 3.5Å; E22-K26 PolarHBondContact OE1-NZ 2.85Å; S23-K26 PolarHBondContact O-N 3.37Å; K26-E29 PolarHBondContact O-N 3.32Å; K26-Q30 WeakPolarHBondContact O-CG 2.84Å; K26-Q30 PolarHBondContact O-N 2.91Å
27	A	85.8	Confident	82	Confident	55 Å²	55	116.5 Å²	116.5	46%	0.455	58%	0.58	S	S	.	*	H	α-helix	trans	-63	-42.9	176.1	0	0	0	0	0	112.5	S23 Q30 A31	S23-A27 WeakPolarHBondContact O-CB 3.48Å; S23-A27 PolarHBondContact O-N 3.33Å; A27-Q30 PolarHBondContact O-N 3.13Å; A27-A31 WeakPolarHBondContact O-CB 3.37Å; A27-A31 PolarHBondContact O-N 2.98Å
28	R	86.4	Confident	83.6	Confident	195 Å²	195	117.3 Å²	117.3	74%	0.736	58%	0.578	S	S	*	*	H	α-helix	trans	-63.5	-39.8	175	-75.6	176.1	-178.3	-172.4	0.7	112.3	R24 R25 A31 A32	R24-R28 WeakPolarHBondContact O-CB 3.2Å; R24-R28 VanDerWaalsContact O-CG 3.28Å; R24-R28 WeakPolarHBondContact O-CG 3.2Å; R24-R28 PolarHBondContact O-N 2.98Å; R25-R28 PolarHBondContact O-N 3.36Å; R28-A31 PolarHBondContact O-N 2.92Å; R28-A32 WeakPolarHBondContact O-CB 3.26Å; R28-A32 PolarHBondContact O-N 2.91Å
29	E	89.9	Confident	85.4	Confident	91 Å²	91	116.8 Å²	116.8	43%	0.425	57%	0.565	S	S	.	*	H	α-helix	trans	-66.7	-43.5	177.3	-169.3	-178.6	162.3	0	0	111.8	R25 K26 A32 R33	R25-E29 PolarHBondContact O-N 2.92Å; K26-E29 PolarHBondContact O-N 3.32Å; E29-A32 PolarHBondContact O-N 3.08Å; E29-R33 WeakPolarHBondContact O-CG 3.33Å; E29-R33 PolarHBondContact O-N 3.39Å; E29-R33 IonicContact OE1-CZ 3.44Å; E29-R33 IonicContact OE1-NE 2.76Å; E29-R33 PolarHBondContact OE1-NE 3.16Å; E29-R33 IonicContact OE1-NH2 2.73Å; E29-R33 PolarHBondContact OE1-NH2 3.02Å
30	Q	89.9	Confident	87.2	Confident	131 Å²	131	118.5 Å²	118.5	61%	0.612	56%	0.564	S	S	*	*	H	α-helix	trans	-61.1	-45.7	174.2	-72.5	178.1	-4.3	0	0	111.6	K26 A27 A32 R33 L34	K26-Q30 WeakPolarHBondContact O-CG 2.84Å; K26-Q30 PolarHBondContact O-N 2.91Å; A27-Q30 PolarHBondContact O-N 3.13Å; Q30-A32 VanDerWaalsContact C-N 3.34Å; Q30-A32 PolarHBondContact O-N 2.91Å; Q30-R33 PolarHBondContact O-N 2.72Å; Q30-L34 WeakPolarHBondContact O-CG 3.37Å; Q30-L34 PolarHBondContact O-N 3.16Å
31	A	91.8	Very high	88.3	Confident	58 Å²	58	119.3 Å²	119.3	48%	0.479	57%	0.565	S	S	.	*	H	α-helix	trans	-61.2	-40.9	175.8	0	0	0	0	0	112.3	A27 R28 L34 K35	A27-A31 WeakPolarHBondContact O-CB 3.37Å; A27-A31 PolarHBondContact O-N 2.98Å; R28-A31 PolarHBondContact O-N 2.92Å; A31-L34 PolarHBondContact O-N 3.3Å; A31-K35 WeakPolarHBondContact O-CB 3.24Å; A31-K35 PolarHBondContact O-N 3.43Å
32	A	93.2	Very high	89.1	Confident	60 Å²	60	117.3 Å²	117.3	50%	0.496	55%	0.554	S	S	.	*	H	α-helix	trans	-65.7	-39.6	176.4	0	0	0	0	0	112.3	R28 E29 Q30 K35 K36	R28-A32 WeakPolarHBondContact O-CB 3.26Å; R28-A32 PolarHBondContact O-N 2.91Å; E29-A32 PolarHBondContact O-N 3.08Å; Q30-A32 VanDerWaalsContact C-N 3.34Å; Q30-A32 PolarHBondContact O-N 2.91Å; A32-K35 PolarHBondContact O-N 3.4Å; A32-K36 WeakPolarHBondContact O-CB 3.29Å; A32-K36 PolarHBondContact O-N 3.18Å
33	R	92	Very high	90	Very high	164 Å²	164	118.7 Å²	118.7	62%	0.619	55%	0.554	S	S	*	*	H	α-helix	trans	-63	-46.5	174.4	-73.3	-178.6	-173.1	-164.1	3.3	111.3	E29 Q30 K35 K36 M37	E29-R33 WeakPolarHBondContact O-CG 3.33Å; E29-R33 PolarHBondContact O-N 3.39Å; E29-R33 IonicContact OE1-CZ 3.44Å; E29-R33 IonicContact OE1-NE 2.76Å; E29-R33 PolarHBondContact OE1-NE 3.16Å; E29-R33 IonicContact OE1-NH2 2.73Å; E29-R33 PolarHBondContact OE1-NH2 3.02Å; Q30-R33 PolarHBondContact O-N 2.72Å; R33-K35 PolarHBondContact O-N 2.92Å; R33-K36 PolarHBondContact O-N 3.46Å; R33-M37 WeakPolarHBondContact O-CG 3.41Å; R33-M37 PolarHBondContact O-N 2.6Å
34	L	92.1	Very high	90.8	Very high	122 Å²	122	122.6 Å²	122.6	64%	0.639	56%	0.563	S	S	*	*	H	α-helix	trans	-60.6	-44.3	176.6	-70.5	172.1	0	0	0	111.7	Q30 A31 K36 M37 E38	Q30-L34 WeakPolarHBondContact O-CG 3.37Å; Q30-L34 PolarHBondContact O-N 3.16Å; A31-L34 PolarHBondContact O-N 3.3Å; L34-K36 VanDerWaalsContact C-N 3.34Å; L34-K36 PolarHBondContact O-N 3.03Å; L34-M37 PolarHBondContact O-N 2.76Å; L34-E38 PolarHBondContact O-N 2.99Å
35	K	94.1	Very high	91.5	Very high	145 Å²	145	120 Å²	120	63%	0.63	56%	0.555	S	S	*	*	H	α-helix	trans	-60.9	-41.6	176.6	-169.6	-178.6	179.2	-177.1	0	112.3	A31 A32 R33 E38 E39	A31-K35 WeakPolarHBondContact O-CB 3.24Å; A31-K35 PolarHBondContact O-N 3.43Å; A32-K35 PolarHBondContact O-N 3.4Å; R33-K35 PolarHBondContact O-N 2.92Å; K35-E38 PolarHBondContact O-N 3.08Å; K35-E39 WeakPolarHBondContact O-CB 3.33Å; K35-E39 PolarHBondContact O-N 3.07Å
36	K	95.3	Very high	92.1	Very high	143 Å²	143	113.4 Å²	113.4	62%	0.622	54%	0.541	S	S	*	.	H	α-helix	trans	-65.1	-40	176.9	-170.2	175.9	-177.5	178.6	0	111.5	A32 R33 L34 E39 L40	A32-K36 WeakPolarHBondContact O-CB 3.29Å; A32-K36 PolarHBondContact O-N 3.18Å; R33-K36 PolarHBondContact O-N 3.46Å; L34-K36 VanDerWaalsContact C-N 3.34Å; L34-K36 PolarHBondContact O-N 3.03Å; K36-E39 PolarHBondContact O-N 3.44Å; K36-L40 VanDerWaalsContact O-CG 3.29Å; K36-L40 WeakPolarHBondContact O-CG 3.48Å; K36-L40 PolarHBondContact O-N 2.78Å
37	M	92.3	Very high	92.7	Very high	117 Å²	117	112.5 Å²	112.5	58%	0.576	54%	0.538	S	S	*	.	H	α-helix	trans	-64	-45.4	175	-68.1	-61.2	-70	0	0	111.4	R33 L34 E39 L40 E41	R33-M37 WeakPolarHBondContact O-CG 3.41Å; R33-M37 PolarHBondContact O-N 2.6Å; L34-M37 PolarHBondContact O-N 2.76Å; M37-E39 VanDerWaalsContact C-N 3.34Å; M37-E39 PolarHBondContact O-N 3.45Å; M37-L40 PolarHBondContact O-N 3Å; M37-E41 WeakPolarHBondContact O-CG 3.36Å; M37-E41 PolarHBondContact O-N 2.93Å
38	E	92.9	Very high	93.2	Very high	109 Å²	109	111.7 Å²	111.7	51%	0.509	53%	0.525	S	S	.	.	H	α-helix	trans	-58.6	-43.7	174.4	-91.6	-164.4	166.4	0	0	112.7	L34 K35 L40 E41 K42	L34-E38 PolarHBondContact O-N 2.99Å; K35-E38 PolarHBondContact O-N 3.08Å; E38-L40 VanDerWaalsContact C-N 3.34Å; E38-E41 PolarHBondContact O-N 3.04Å; E38-K42 WeakPolarHBondContact O-CB 3.4Å; E38-K42 VanDerWaalsContact O-CG 3.31Å; E38-K42 WeakPolarHBondContact O-CG 3.47Å; E38-K42 PolarHBondContact O-N 3.21Å; E38-K42 IonicContact OE2-NZ 3.06Å
39	E	94.6	Very high	93.7	Very high	130 Å²	130	106.8 Å²	106.8	61%	0.607	51%	0.506	S	S	*	.	H	α-helix	trans	-64.9	-40.3	-179.5	-172.8	173.2	-172.3	0	0	111.5	K35 K36 M37 K42 R43	K35-E39 WeakPolarHBondContact O-CB 3.33Å; K35-E39 PolarHBondContact O-N 3.07Å; K36-E39 PolarHBondContact O-N 3.44Å; M37-E39 VanDerWaalsContact C-N 3.34Å; M37-E39 PolarHBondContact O-N 3.45Å; E39-K42 PolarHBondContact O-N 3.38Å; E39-R43 WeakPolarHBondContact O-CB 3.28Å; E39-R43 PolarHBondContact O-N 3.49Å
40	L	93.8	Very high	94.1	Very high	79 Å²	79	109.5 Å²	109.5	41%	0.414	52%	0.517	S	S	.	.	H	α-helix	trans	-63.1	-42.1	173	-70.4	173.4	0	0	0	111.8	K36 M37 E38 R43 K44	K36-L40 VanDerWaalsContact O-CG 3.29Å; K36-L40 WeakPolarHBondContact O-CG 3.48Å; K36-L40 PolarHBondContact O-N 2.78Å; M37-L40 PolarHBondContact O-N 3Å; E38-L40 VanDerWaalsContact C-N 3.34Å; L40-R43 PolarHBondContact O-N 2.84Å; L40-K44 WeakPolarHBondContact O-CG 3.27Å; L40-K44 PolarHBondContact O-N 3.43Å
41	E	92.9	Very high	94.4	Very high	101 Å²	101	109.1 Å²	109.1	47%	0.472	51%	0.513	S	S	.	.	H	α-helix	trans	-64.2	-43.3	175.2	-73.8	-166.2	172.2	0	0	112.4	M37 E38 R43 K44 K45	M37-E41 WeakPolarHBondContact O-CG 3.36Å; M37-E41 PolarHBondContact O-N 2.93Å; E38-E41 PolarHBondContact O-N 3.04Å; E41-R43 VanDerWaalsContact C-N 3.3Å; E41-R43 PolarHBondContact O-N 2.97Å; E41-K44 PolarHBondContact O-N 3.12Å; E41-K45 VanDerWaalsContact O-CG 3.25Å; E41-K45 WeakPolarHBondContact O-CG 3.44Å; E41-K45 PolarHBondContact O-N 3.27Å; E41-K45 IonicContact OE2-NZ 2.6Å
42	K	93.9	Very high	94.6	Very high	130 Å²	130	106.6 Å²	106.6	57%	0.565	49%	0.491	S	S	*	.	H	α-helix	trans	-60.1	-43.5	175.6	-75.1	173	-174.6	168.9	0	110.8	E38 E39 K45 A46	E38-K42 WeakPolarHBondContact O-CB 3.4Å; E38-K42 VanDerWaalsContact O-CG 3.31Å; E38-K42 WeakPolarHBondContact O-CG 3.47Å; E38-K42 PolarHBondContact O-N 3.21Å; E38-K42 IonicContact OE2-NZ 3.06Å; E39-K42 PolarHBondContact O-N 3.38Å; K42-K45 PolarHBondContact O-N 3Å; K42-A46 WeakPolarHBondContact O-CB 3.43Å; K42-A46 PolarHBondContact O-N 3.34Å
43	R	95.4	Very high	94.8	Very high	154 Å²	154	107.6 Å²	107.6	58%	0.581	49%	0.486	S	S	*	.	H	α-helix	trans	-62.5	-47.2	176.5	-176.8	-179.7	153.4	-174.8	-8.9	111.6	E39 L40 E41 K45 A46 E47	E39-R43 WeakPolarHBondContact O-CB 3.28Å; E39-R43 PolarHBondContact O-N 3.49Å; L40-R43 PolarHBondContact O-N 2.84Å; E41-R43 VanDerWaalsContact C-N 3.3Å; E41-R43 PolarHBondContact O-N 2.97Å; R43-K45 VanDerWaalsContact C-N 3.34Å; R43-K45 PolarHBondContact O-N 3Å; R43-A46 PolarHBondContact O-N 3.46Å; R43-E47 HydrophobicContact CG-CG 4.41Å; R43-E47 IonicContact CZ-OE1 2.98Å; R43-E47 IonicContact NE-OE1 2.92Å; R43-E47 PolarHBondContact NE-OE1 2.99Å; R43-E47 IonicContact NH2-OE1 2.8Å; R43-E47 PolarHBondContact NH2-OE1 3.42Å; R43-E47 WeakPolarHBondContact O-CB 3.33Å; R43-E47 WeakPolarHBondContact O-CG 3.38Å; R43-E47 PolarHBondContact O-N 2.84Å
44	K	94.3	Very high	95	Very high	147 Å²	147	106.5 Å²	106.5	64%	0.639	49%	0.485	S	S	*	.	H	α-helix	trans	-58.3	-44.2	175.9	-74.5	177.5	-179.2	-175.8	0	112	L40 E41 A46 E47 F48	L40-K44 WeakPolarHBondContact O-CG 3.27Å; L40-K44 PolarHBondContact O-N 3.43Å; E41-K44 PolarHBondContact O-N 3.12Å; K44-A46 PolarHBondContact O-N 2.97Å; K44-E47 PolarHBondContact O-N 2.87Å; K44-F48 WeakPolarHBondContact O-CB 3.25Å; K44-F48 PolarHBondContact O-N 3.3Å
45	K	94.1	Very high	95.2	Very high	87 Å²	87	103.8 Å²	103.8	38%	0.378	47%	0.469	S	S	.	.	H	α-helix	trans	-61.9	-42.6	177	-70.1	167.9	-168.6	173.7	0	111.6	E41 K42 R43 F48 R49 I76 I80	E41-K45 VanDerWaalsContact O-CG 3.25Å; E41-K45 WeakPolarHBondContact O-CG 3.44Å; E41-K45 PolarHBondContact O-N 3.27Å; E41-K45 IonicContact OE2-NZ 2.6Å; K42-K45 PolarHBondContact O-N 3Å; R43-K45 VanDerWaalsContact C-N 3.34Å; R43-K45 PolarHBondContact O-N 3Å; K45-F48 PolarHBondContact O-N 3.49Å; K45-R49 WeakPolarHBondContact O-CB 3.21Å; K45-R49 PolarHBondContact O-N 3.24Å; K45-I76 HydrophobicContact CD-CG2 4.19Å; K45-I76 HydrophobicContact CG-CG2 4.29Å; K45-I80 HydrophobicContact CB-CD1 4.24Å; K45-I80 HydrophobicContact CG-CD1 4.46Å
46	A	95.8	Very high	95.3	Very high	49 Å²	49	97 Å²	97	41%	0.405	44%	0.44	S	S	.	.	H	α-helix	trans	-68.3	-40.5	177.8	0	0	0	0	0	112.7	K42 R43 K44 R49 K50	K42-A46 WeakPolarHBondContact O-CB 3.43Å; K42-A46 PolarHBondContact O-N 3.34Å; R43-A46 PolarHBondContact O-N 3.46Å; K44-A46 PolarHBondContact O-N 2.97Å; A46-R49 PolarHBondContact O-N 3.44Å; A46-K50 WeakPolarHBondContact O-CG 3.41Å; A46-K50 PolarHBondContact O-N 3.41Å; A46-K50 VanDerWaalsContact O-N 3.08Å
47	E	96.7	Very high	95.4	Very high	95 Å²	95	92.6 Å²	92.6	44%	0.444	43%	0.427	S	S	.	.	H	α-helix	trans	-63	-43.8	174.4	-73.8	173.7	178	0	0	111.1	R43 K44 K50 K51	R43-E47 HydrophobicContact CG-CG 4.41Å; R43-E47 IonicContact CZ-OE1 2.98Å; R43-E47 IonicContact NE-OE1 2.92Å; R43-E47 PolarHBondContact NE-OE1 2.99Å; R43-E47 IonicContact NH2-OE1 2.8Å; R43-E47 PolarHBondContact NH2-OE1 3.42Å; R43-E47 WeakPolarHBondContact O-CB 3.33Å; R43-E47 WeakPolarHBondContact O-CG 3.38Å; R43-E47 PolarHBondContact O-N 2.84Å; K44-E47 PolarHBondContact O-N 2.87Å; E47-K50 PolarHBondContact O-N 2.98Å; E47-K51 PolarHBondContact O-N 3.17Å
48	F	96.3	Very high	95.6	Very high	38 Å²	38	90.7 Å²	90.7	17%	0.167	42%	0.42	C	S	.	.	H	α-helix	trans	-61.4	-45.3	175.3	-176.3	-99	0	0	0	112	K44 K45 K50 K51 M52 M73 E77 I80	K44-F48 WeakPolarHBondContact O-CB 3.25Å; K44-F48 PolarHBondContact O-N 3.3Å; K45-F48 PolarHBondContact O-N 3.49Å; F48-K50 PolarHBondContact O-N 3.11Å; F48-K51 WeakPolarHBondContact O-CB 3.41Å; F48-K51 PolarHBondContact O-N 3.09Å; F48-K51 VanDerWaalsContact O-N 3.17Å; F48-M52 HydrophobicContact CD1-CG 3.96Å; F48-M52 HydrophobicContact CE1-CG 3.49Å; F48-M52 VanDerWaalsContact CE1-CG 3.49Å; F48-M52 HydrophobicContact CE1-SD 4.21Å; F48-M52 HydrophobicContact CE2-CE 4.15Å; F48-M52 HydrophobicContact CE2-CG 4.16Å; F48-M52 HydrophobicContact CE2-SD 4.15Å; F48-M52 HydrophobicContact CG-CG 4.48Å; F48-M52 HydrophobicContact CZ-CE 4.32Å; F48-M52 HydrophobicContact CZ-CG 3.6Å; F48-M52 HydrophobicContact CZ-SD 3.71Å; F48-M52 WeakPolarHBondContact O-CG 3.41Å; F48-M52 PolarHBondContact O-N 2.93Å; F48-M73 HydrophobicContact CZ-SD 4.18Å; F48-E77 HydrophobicContact CD1-CB 4.39Å; F48-E77 HydrophobicContact CD1-CG 4.33Å; F48-E77 HydrophobicContact CE1-CB 3.72Å; F48-E77 HydrophobicContact CE1-CG 4.1Å; F48-E77 HydrophobicContact CE2-CB 4.48Å; F48-E77 HydrophobicContact CE2-CG 4.4Å; F48-E77 HydrophobicContact CZ-CB 3.78Å; F48-E77 HydrophobicContact CZ-CG 4.13Å; F48-I80 HydrophobicContact CD1-CB 4.27Å; F48-I80 HydrophobicContact CD1-CD1 4.11Å; F48-I80 HydrophobicContact CD1-CG2 4.03Å; F48-I80 HydrophobicContact CE1-CB 4.35Å; F48-I80 HydrophobicContact CE1-CG2 4.33Å
49	R	96.9	Very high	95.7	Very high	92 Å²	92	86 Å²	86	35%	0.347	40%	0.397	S	S	.	.	H	α-helix	trans	-56.2	-50.3	176.3	-176	179.9	-178	123.6	8.8	111.7	K45 A46 K51 M52 E53 I80 D83 V84	K45-R49 WeakPolarHBondContact O-CB 3.21Å; K45-R49 PolarHBondContact O-N 3.24Å; A46-R49 PolarHBondContact O-N 3.44Å; R49-K51 VanDerWaalsContact C-N 3.27Å; R49-K51 PolarHBondContact O-N 3.44Å; R49-M52 PolarHBondContact O-N 3.12Å; R49-M52 VanDerWaalsContact O-N 3.13Å; R49-E53 HydrophobicContact CG-CG 4.36Å; R49-E53 WeakPolarHBondContact CG-OE1 3.36Å; R49-E53 IonicContact CZ-OE1 3.52Å; R49-E53 IonicContact NE-OE1 3.36Å; R49-E53 PolarHBondContact NE-OE1 3.26Å; R49-E53 WeakPolarHBondContact O-CG 3.39Å; R49-E53 PolarHBondContact O-N 2.89Å; R49-I80 HydrophobicContact CB-CG2 3.81Å; R49-I80 HydrophobicContact CG-CG2 4.01Å; R49-D83 IonicContact CZ-OD2 2.71Å; R49-D83 IonicContact NH1-OD2 3.87Å; R49-D83 PolarHBondContact NH1-OD2 3.34Å; R49-D83 IonicContact NH2-OD2 3.45Å; R49-D83 PolarHBondContact NH2-OD2 2.97Å; R49-V84 HydrophobicContact CG-CG2 4.08Å
50	K	97.2	Very high	95.6	Very high	149 Å²	149	83.2 Å²	83.2	65%	0.648	39%	0.386	S	S	*	.	H	α-helix	trans	-59.4	-38.7	177.9	-71.9	178	-179.7	-176.1	0	112.5	A46 E47 F48 K54	A46-K50 WeakPolarHBondContact O-CG 3.41Å; A46-K50 PolarHBondContact O-N 3.41Å; A46-K50 VanDerWaalsContact O-N 3.08Å; E47-K50 PolarHBondContact O-N 2.98Å; F48-K50 PolarHBondContact O-N 3.11Å; K50-K54 PolarHBondContact O-N 3.38Å
51	K	97.1	Very high	95.7	Very high	122 Å²	122	86 Å²	86	53%	0.53	40%	0.397	S	S	.	.	H	α-helix	trans	-62.8	-47.6	175.5	-174.7	-173.7	171.8	-171.2	0	110.9	E47 F48 R49 K54 E55	E47-K51 PolarHBondContact O-N 3.17Å; F48-K51 WeakPolarHBondContact O-CB 3.41Å; F48-K51 PolarHBondContact O-N 3.09Å; F48-K51 VanDerWaalsContact O-N 3.17Å; R49-K51 VanDerWaalsContact C-N 3.27Å; R49-K51 PolarHBondContact O-N 3.44Å; K51-K54 PolarHBondContact O-N 3.2Å; K51-E55 WeakPolarHBondContact CE-OE1 3.38Å; K51-E55 IonicContact NZ-OE1 2.74Å; K51-E55 PolarHBondContact O-N 3.31Å
52	M	96.5	Very high	95.7	Very high	5 Å²	5	83.8 Å²	83.8	3%	0.025	39%	0.388	C	S	.	.	H	α-helix	trans	-66.9	-39.1	179.3	-65.4	-60.1	93.3	0	0	112.4	F48 R49 K54 E55 V56 Y70 L81	F48-M52 HydrophobicContact CD1-CG 3.96Å; F48-M52 HydrophobicContact CE1-CG 3.49Å; F48-M52 VanDerWaalsContact CE1-CG 3.49Å; F48-M52 HydrophobicContact CE1-SD 4.21Å; F48-M52 HydrophobicContact CE2-CE 4.15Å; F48-M52 HydrophobicContact CE2-CG 4.16Å; F48-M52 HydrophobicContact CE2-SD 4.15Å; F48-M52 HydrophobicContact CG-CG 4.48Å; F48-M52 HydrophobicContact CZ-CE 4.32Å; F48-M52 HydrophobicContact CZ-CG 3.6Å; F48-M52 HydrophobicContact CZ-SD 3.71Å; F48-M52 WeakPolarHBondContact O-CG 3.41Å; F48-M52 PolarHBondContact O-N 2.93Å; R49-M52 PolarHBondContact O-N 3.12Å; R49-M52 VanDerWaalsContact O-N 3.13Å; M52-K54 VanDerWaalsContact C-N 3.29Å; M52-K54 PolarHBondContact O-N 2.98Å; M52-E55 VanDerWaalsContact CE-CD 3.47Å; M52-E55 HydrophobicContact CE-CG 4.38Å; M52-E55 VanDerWaalsContact CE-OE2 3.3Å; M52-E55 WeakPolarHBondContact CE-OE2 3.34Å; M52-E55 PolarHBondContact O-N 2.73Å; M52-V56 VanDerWaalsContact O-CB 3.31Å; M52-V56 WeakPolarHBondContact O-CB 3.45Å; M52-V56 VanDerWaalsContact O-CG2 3.25Å; M52-V56 WeakPolarHBondContact O-CG2 3.49Å; M52-V56 PolarHBondContact O-N 2.93Å; M52-Y70 HydrophobicContact SD-CE1 4.1Å; M52-L81 HydrophobicContact CB-CD1 4.18Å; M52-L81 HydrophobicContact CG-CD1 4.21Å; M52-L81 HydrophobicContact SD-CD1 3.95Å
53	E	96.7	Very high	95.6	Very high	82 Å²	82	82.8 Å²	82.8	38%	0.383	40%	0.398	S	S	.	.	H	α-helix	trans	-57.3	-43.5	174.4	-74.7	168.1	176.8	0	0	111.4	R49 S57 V84	R49-E53 HydrophobicContact CG-CG 4.36Å; R49-E53 WeakPolarHBondContact CG-OE1 3.36Å; R49-E53 IonicContact CZ-OE1 3.52Å; R49-E53 IonicContact NE-OE1 3.36Å; R49-E53 PolarHBondContact NE-OE1 3.26Å; R49-E53 WeakPolarHBondContact O-CG 3.39Å; R49-E53 PolarHBondContact O-N 2.89Å; E53-S57 VanDerWaalsContact O-CB 3.29Å; E53-S57 WeakPolarHBondContact O-CB 3.38Å; E53-S57 PolarHBondContact O-N 2.98Å; E53-V84 HydrophobicContact CB-CG1 4.43Å; E53-V84 HydrophobicContact CG-CG1 3.85Å; E53-V84 HydrophobicContact CG-CG2 3.87Å
54	K	97.2	Very high	95.4	Very high	140 Å²	140	80 Å²	80	61%	0.609	40%	0.402	S	S	*	.	H	α-helix	trans	-65.3	-49.9	175.4	-172.1	179.9	177.7	-176.9	0	111.8	K50 K51 M52 V56 S57 D58	K50-K54 PolarHBondContact O-N 3.38Å; K51-K54 PolarHBondContact O-N 3.2Å; M52-K54 VanDerWaalsContact C-N 3.29Å; M52-K54 PolarHBondContact O-N 2.98Å; K54-V56 VanDerWaalsContact C-N 3.31Å; K54-V56 PolarHBondContact O-N 3.42Å; K54-S57 WeakPolarHBondContact O-CB 3.47Å; K54-S57 PolarHBondContact O-N 2.74Å; K54-D58 VanDerWaalsContact O-CG 3.24Å; K54-D58 PolarHBondContact O-N 3.46Å
55	E	96.2	Very high	95.2	Very high	65 Å²	65	75.9 Å²	75.9	30%	0.304	39%	0.385	S	S	.	.	H	α-helix	trans	-60.8	-39.7	179.9	-74.2	-175.9	-163.9	0	0	112.6	K51 M52 D58 F59	K51-E55 WeakPolarHBondContact CE-OE1 3.38Å; K51-E55 IonicContact NZ-OE1 2.74Å; K51-E55 PolarHBondContact O-N 3.31Å; M52-E55 VanDerWaalsContact CE-CD 3.47Å; M52-E55 HydrophobicContact CE-CG 4.38Å; M52-E55 VanDerWaalsContact CE-OE2 3.3Å; M52-E55 WeakPolarHBondContact CE-OE2 3.34Å; M52-E55 PolarHBondContact O-N 2.73Å; E55-D58 PolarHBondContact O-N 3.22Å; E55-F59 WeakPolarHBondContact O-CB 3.4Å; E55-F59 PolarHBondContact O-N 3.04Å
56	V	95.9	Very high	95.1	Very high	2 Å²	2	76.5 Å²	76.5	1%	0.012	39%	0.389	C	S	.	.	H	α-helix	trans	-67.8	-41.6	176.5	169.5	0	0	0	0	110.8	M52 K54 F59 I60 L81 V84 A88 L90 L106	M52-V56 VanDerWaalsContact O-CB 3.31Å; M52-V56 WeakPolarHBondContact O-CB 3.45Å; M52-V56 VanDerWaalsContact O-CG2 3.25Å; M52-V56 WeakPolarHBondContact O-CG2 3.49Å; M52-V56 PolarHBondContact O-N 2.93Å; K54-V56 VanDerWaalsContact C-N 3.31Å; K54-V56 PolarHBondContact O-N 3.42Å; V56-F59 PolarHBondContact O-N 3.27Å; V56-I60 HydrophobicContact CG1-CD1 3.92Å; V56-I60 VanDerWaalsContact O-CG1 3.27Å; V56-I60 WeakPolarHBondContact O-CG1 3.47Å; V56-I60 PolarHBondContact O-N 2.91Å; V56-L81 HydrophobicContact CG2-CD1 4.18Å; V56-V84 HydrophobicContact CB-CG1 4.15Å; V56-V84 HydrophobicContact CG1-CG1 4.41Å; V56-V84 HydrophobicContact CG2-CG1 4.02Å; V56-A88 HydrophobicContact CG1-CB 3.83Å; V56-L90 HydrophobicContact CG1-CD1 3.63Å; V56-L106 HydrophobicContact CG2-CD1 3.77Å
57	S	96.2	Very high	94.9	Very high	51 Å²	51	77.9 Å²	77.9	36%	0.357	39%	0.386	S	S	.	.	H	α-helix	trans	-59	-47.3	173.5	177.2	0	0	0	0	111.5	E53 K54 F59 I60 Q61	E53-S57 VanDerWaalsContact O-CB 3.29Å; E53-S57 WeakPolarHBondContact O-CB 3.38Å; E53-S57 PolarHBondContact O-N 2.98Å; K54-S57 WeakPolarHBondContact O-CB 3.47Å; K54-S57 PolarHBondContact O-N 2.74Å; S57-F59 VanDerWaalsContact C-N 3.32Å; S57-F59 PolarHBondContact O-N 3.27Å; S57-I60 PolarHBondContact O-N 3.21Å; S57-Q61 WeakPolarHBondContact O-CG 3.29Å; S57-Q61 PolarHBondContact O-N 3.03Å; S57-Q61 VanDerWaalsContact O-N 3.12Å
58	D	96.3	Very high	94.8	Very high	78 Å²	78	78.7 Å²	78.7	42%	0.417	39%	0.385	S	S	.	.	H	α-helix	trans	-62.9	-40.1	178.7	-65.1	-16.1	0	0	0	110.9	K54 E55 I60 Q61 D62	K54-D58 VanDerWaalsContact O-CG 3.24Å; K54-D58 PolarHBondContact O-N 3.46Å; E55-D58 PolarHBondContact O-N 3.22Å; D58-I60 PolarHBondContact O-N 3.04Å; D58-Q61 PolarHBondContact O-N 3.04Å; D58-D62 PolarHBondContact O-N 3.14Å
59	F	95.5	Very high	94.7	Very high	9 Å²	9	82.9 Å²	82.9	4%	0.039	40%	0.403	C	S	.	.	H	α-helix	trans	-63.6	-38	175.2	170.1	-107.6	0	0	0	113.3	E55 V56 S57 Q61 D62 Q65 R68 L90 L106 K108	E55-F59 WeakPolarHBondContact O-CB 3.4Å; E55-F59 PolarHBondContact O-N 3.04Å; V56-F59 PolarHBondContact O-N 3.27Å; S57-F59 VanDerWaalsContact C-N 3.32Å; S57-F59 PolarHBondContact O-N 3.27Å; F59-Q61 VanDerWaalsContact C-N 3.35Å; F59-D62 PolarHBondContact O-N 3.06Å; F59-Q65 HydrophobicContact CD2-CB 4.02Å; F59-Q65 HydrophobicContact CE2-CB 3.76Å; F59-R68 HydrophobicContact CD2-CB 3.94Å; F59-R68 HydrophobicContact CE2-CB 3.78Å; F59-R68 HydrophobicContact CG-CB 4.48Å; F59-R68 HydrophobicContact CZ-CB 4.19Å; F59-L90 HydrophobicContact CD1-CD1 3.91Å; F59-L90 HydrophobicContact CE1-CD1 4.03Å; F59-L90 HydrophobicContact CE1-CD2 4.37Å; F59-L106 HydrophobicContact CE1-CB 4.44Å; F59-K108 HydrophobicContact CE1-CG 3.81Å; F59-K108 HydrophobicContact CZ-CD 4.48Å; F59-K108 HydrophobicContact CZ-CG 3.82Å; F59-K108 WeakPolarHBondContact O-CE 3.45Å; F59-K108 PolarHBondContact O-NZ 3.12Å; F59-K108 VanDerWaalsContact O-NZ 3.17Å
60	I	93.8	Very high	94.6	Very high	72 Å²	72	79.5 Å²	79.5	37%	0.369	39%	0.391	S	S	.	.	H	α-helix	trans	-64.5	-44.4	176.7	-71.4	163.7	0	0	0	110.2	V56 S57 D58 D62 A88 L90 K108	V56-I60 HydrophobicContact CG1-CD1 3.92Å; V56-I60 VanDerWaalsContact O-CG1 3.27Å; V56-I60 WeakPolarHBondContact O-CG1 3.47Å; V56-I60 PolarHBondContact O-N 2.91Å; S57-I60 PolarHBondContact O-N 3.21Å; D58-I60 PolarHBondContact O-N 3.04Å; I60-D62 VanDerWaalsContact C-N 3.34Å; I60-D62 PolarHBondContact O-N 3.48Å; I60-A88 HydrophobicContact CD1-CB 3.77Å; I60-L90 HydrophobicContact CD1-CD1 4.1Å; I60-L90 HydrophobicContact CD1-CG 4.29Å; I60-L90 HydrophobicContact CG1-CD1 3.98Å; I60-L90 HydrophobicContact CG1-CD2 4.1Å; I60-L90 HydrophobicContact CG1-CG 4.29Å; I60-K108 PolarHBondContact O-NZ 3.37Å
61	Q	93.9	Very high	94.5	Very high	138 Å²	138	78.8 Å²	78.8	65%	0.645	39%	0.394	S	S	*	.	H	α-helix	trans	-64.7	-36	179.7	-68.2	174.7	15	0	0	112.5	S57 D58 F59 S63	S57-Q61 WeakPolarHBondContact O-CG 3.29Å; S57-Q61 PolarHBondContact O-N 3.03Å; S57-Q61 VanDerWaalsContact O-N 3.12Å; D58-Q61 PolarHBondContact O-N 3.04Å; F59-Q61 VanDerWaalsContact C-N 3.35Å; Q61-S63 PolarHBondContact O-N 2.91Å
62	D	94.4	Very high	94.4	Very high	54 Å²	54	76.5 Å²	76.5	29%	0.289	39%	0.391	S	S	.	.			trans	-73.8	98.3	178.1	-174.9	-5.2	0	0	0	111.7	D58 F59 I60 S64 Q65 K108	D58-D62 PolarHBondContact O-N 3.14Å; F59-D62 PolarHBondContact O-N 3.06Å; I60-D62 VanDerWaalsContact C-N 3.34Å; I60-D62 PolarHBondContact O-N 3.48Å; D62-S64 PolarHBondContact O-N 3.35Å; D62-S64 WeakPolarHBondContact OD1-CB 3.31Å; D62-S64 PolarHBondContact OD1-N 3.4Å; D62-S64 PolarHBondContact OD1-OG 2.98Å; D62-S64 PolarHBondContact OD2-OG 3.5Å; D62-Q65 PolarHBondContact O-N 3.33Å; D62-Q65 WeakPolarHBondContact OD2-CG 3.37Å; D62-Q65 PolarHBondContact OD2-NE2 2.87Å; D62-K108 PolarHBondContact O-NZ 3.43Å
63	S	90.8	Very high	94.2	Very high	109 Å²	109	77.5 Å²	77.5	76%	0.762	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-16.1	-179.8	-60.9	0	0	0	0	114.2	Q61	Q61-S63 PolarHBondContact O-N 2.91Å
64	S	91.9	Very high	94.1	Very high	96 Å²	96	75.2 Å²	75.2	67%	0.671	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-31.5	-178.8	73.4	0	0	0	0	112.8	D62	D62-S64 PolarHBondContact O-N 3.35Å; D62-S64 WeakPolarHBondContact OD1-CB 3.31Å; D62-S64 PolarHBondContact OD1-N 3.4Å; D62-S64 PolarHBondContact OD1-OG 2.98Å; D62-S64 PolarHBondContact OD2-OG 3.5Å
65	Q	90.8	Very high	93.9	Very high	61 Å²	61	75.2 Å²	75.2	29%	0.285	40%	0.395	S	S	.	.			trans	-88.8	117.6	-178.8	-66.8	-179.1	51.7	0	0	110.3	F59 D62 R68 K108	F59-Q65 HydrophobicContact CD2-CB 4.02Å; F59-Q65 HydrophobicContact CE2-CB 3.76Å; D62-Q65 PolarHBondContact O-N 3.33Å; D62-Q65 WeakPolarHBondContact OD2-CG 3.37Å; D62-Q65 PolarHBondContact OD2-NE2 2.87Å; Q65-R68 VanDerWaalsContact OE1-NH1 3.13Å; Q65-K108 WeakPolarHBondContact O-CD 3.47Å; Q65-K108 WeakPolarHBondContact O-CE 3.33Å; Q65-K108 PolarHBondContact O-NZ 3.19Å
66	Q	91.2	Very high	93.7	Very high	100 Å²	100	76.6 Å²	76.6	47%	0.467	40%	0.403	S	S	.	.	S	Bend	trans	-85.8	-34.5	176.5	-65.8	174.8	-14.4	0	0	112.5	K108 F111	Q66-K108 PolarHBondContact O-N 3.28Å; Q66-K108 VanDerWaalsContact O-N 3.13Å; Q66-F111 HydrophobicContact CB-CB 4.06Å; Q66-F111 HydrophobicContact CB-CD1 4.28Å; Q66-F111 HydrophobicContact CB-CD2 4.26Å; Q66-F111 HydrophobicContact CB-CG 3.93Å; Q66-F111 HydrophobicContact CG-CB 4.49Å; Q66-F111 HydrophobicContact CG-CD1 3.81Å; Q66-F111 HydrophobicContact CG-CD2 4.03Å; Q66-F111 HydrophobicContact CG-CE1 3.98Å; Q66-F111 HydrophobicContact CG-CE2 4.19Å; Q66-F111 HydrophobicContact CG-CG 3.83Å; Q66-F111 HydrophobicContact CG-CZ 4.16Å; Q66-F111 VanDerWaalsContact NE2-CE1 3.27Å
67	K	92.4	Very high	93.7	Very high	77 Å²	77	80.4 Å²	80.4	34%	0.335	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	151.6	-177.4	60.6	-171.4	169.8	-165.4	0	111.4	M105 L106 F107 E117 Y121	K67-M105 HydrophobicContact CD-CE 4.31Å; K67-L106 CarbonylContact C-O 3.58Å; K67-L106 VanDerWaalsContact CA-O 3.22Å; K67-L106 WeakPolarHBondContact CA-O 3.4Å; K67-F107 HydrophobicContact CB-CD1 3.65Å; K67-F107 HydrophobicContact CB-CE1 3.9Å; K67-F107 HydrophobicContact CB-CG 4.32Å; K67-F107 HydrophobicContact CD-CD1 4.12Å; K67-F107 HydrophobicContact CD-CE1 3.64Å; K67-F107 HydrophobicContact CG-CE1 4.44Å; K67-E117 IonicContact NZ-OE1 3.91Å; K67-E117 PolarHBondContact NZ-OE1 3Å; K67-Y121 PolarHBondContact NZ-OH 2.8Å
68	R	94.3	Very high	93.6	Very high	112 Å²	112	78.5 Å²	78.5	42%	0.423	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	124.4	179.6	-172.2	72.1	179.3	-174.4	2	109.9	F59 Q65 Y70 M105 L106	F59-R68 HydrophobicContact CD2-CB 3.94Å; F59-R68 HydrophobicContact CE2-CB 3.78Å; F59-R68 HydrophobicContact CG-CB 4.48Å; F59-R68 HydrophobicContact CZ-CB 4.19Å; Q65-R68 VanDerWaalsContact OE1-NH1 3.13Å; R68-Y70 HydrophobicContact CB-CE2 4.21Å; R68-Y70 HydrophobicContact CG-CD2 4.3Å; R68-Y70 HydrophobicContact CG-CE2 3.7Å; R68-M105 CarbonylContact O-C 3.53Å; R68-M105 VanDerWaalsContact O-CA 3.32Å; R68-M105 WeakPolarHBondContact O-CA 3.46Å; R68-L106 HydrophobicContact CB-CB 4.49Å; R68-L106 PolarHBondContact N-O 2.98Å; R68-L106 PolarHBondContact O-N 3.18Å
69	K	93.9	Very high	93.6	Very high	127 Å²	127	78.5 Å²	78.5	55%	0.552	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98	128.1	172.5	-179.4	173.3	175.5	172	0	109.7	Y103 M105	K69-Y103 HydrophobicContact CD-CD2 4.25Å; K69-Y103 HydrophobicContact CD-CE2 3.95Å; K69-Y103 VanDerWaalsContact CE-CE2 3.46Å; K69-Y103 HydrophobicContact CG-CD2 3.92Å; K69-Y103 HydrophobicContact CG-CE2 4.03Å; K69-M105 HydrophobicContact CB-CG 4.15Å; K69-M105 HydrophobicContact CG-CG 4.13Å
70	Y	95.1	Very high	93.6	Very high	20 Å²	20	79.2 Å²	79.2	8%	0.078	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-96	162.1	173.6	-70.3	-97.4	0	0	0	110.9	M52 R68 M73 L81 Y103 V104 L106	M52-Y70 HydrophobicContact SD-CE1 4.1Å; R68-Y70 HydrophobicContact CB-CE2 4.21Å; R68-Y70 HydrophobicContact CG-CD2 4.3Å; R68-Y70 HydrophobicContact CG-CE2 3.7Å; Y70-M73 HydrophobicContact CD1-CE 4.17Å; Y70-M73 HydrophobicContact CG-CE 4.17Å; Y70-L81 HydrophobicContact CD1-CD2 4.06Å; Y70-L81 HydrophobicContact CD2-CD2 3.76Å; Y70-L81 HydrophobicContact CE1-CD1 4.49Å; Y70-L81 HydrophobicContact CE1-CD2 4.28Å; Y70-L81 HydrophobicContact CE2-CD1 4.47Å; Y70-L81 HydrophobicContact CE2-CD2 4.01Å; Y70-L81 HydrophobicContact CG-CD2 3.8Å; Y70-Y103 WeakPolarHBondContact O-CB 3.48Å; Y70-V104 WeakPolarHBondContact CB-O 3.43Å; Y70-V104 PolarHBondContact N-O 3.38Å; Y70-L106 HydrophobicContact CD2-CG 4.41Å; Y70-L106 HydrophobicContact CE2-CB 4.49Å; Y70-L106 HydrophobicContact CE2-CD1 3.62Å; Y70-L106 HydrophobicContact CE2-CG 3.75Å
71	N	94.3	Very high	93.8	Very high	135 Å²	135	75.8 Å²	75.8	72%	0.722	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-68.5	154.6	170.5	-66.5	-24.6	0	0	0	110.3	M73	N71-M73 PolarHBondContact O-N 3.34Å
72	P	94.8	Very high	93.9	Very high	73 Å²	73	71.5 Å²	71.5	47%	0.474	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-52.3	133.5	168.8	-23.4	33.4	0	0	0	110.6	E100 R102	P72-E100 WeakPolarHBondContact CB-O 3.33Å; P72-R102 WeakPolarHBondContact CA-O 3.41Å
73	M	93.4	Very high	94.1	Very high	26 Å²	26	71.9 Å²	71.9	13%	0.128	38%	0.38	C	S	.	.			trans	-144.4	161.5	-174.5	69.9	-178.4	63.2	0	0	110.4	F48 Y70 N71 E77 R78 L81 R102	F48-M73 HydrophobicContact CZ-SD 4.18Å; Y70-M73 HydrophobicContact CD1-CE 4.17Å; Y70-M73 HydrophobicContact CG-CE 4.17Å; N71-M73 PolarHBondContact O-N 3.34Å; M73-E77 HydrophobicContact CB-CB 4.1Å; M73-E77 WeakPolarHBondContact CB-OE2 3.43Å; M73-E77 HydrophobicContact CG-CB 3.96Å; M73-E77 HydrophobicContact SD-CB 3.86Å; M73-R78 HydrophobicContact CG-CB 4.33Å; M73-R78 HydrophobicContact CG-CG 3.31Å; M73-R78 PolarHBondContact O-NH1 3.24Å; M73-R78 HydrophobicContact SD-CG 4.1Å; M73-L81 HydrophobicContact CE-CD2 3.94Å; M73-L81 HydrophobicContact SD-CD2 4.14Å; M73-R102 PolarHBondContact N-O 3.37Å
74	G	92.9	Very high	94.4	Very high	34 Å²	34	67 Å²	67	35%	0.351	35%	0.346	S	S	.	.			trans	-66.5	162.7	-174.3	0	0	0	0	0	113.4	I76 E77 R78	G74-I76 VanDerWaalsContact C-N 3.27Å; G74-I76 PolarHBondContact O-N 3.16Å; G74-I76 VanDerWaalsContact O-N 3.16Å; G74-E77 PolarHBondContact N-OE2 2.88Å; G74-E77 PolarHBondContact O-N 3.14Å; G74-E77 VanDerWaalsContact O-N 3.1Å; G74-R78 WeakPolarHBondContact O-CG 3.44Å; G74-R78 PolarHBondContact O-N 2.95Å
75	K	93.5	Very high	94.6	Very high	141 Å²	141	62.4 Å²	62.4	61%	0.613	31%	0.314	S	S	*	.	H	α-helix	trans	-51.1	-42.8	-178.7	-177.4	177.1	-178	174.1	0	113.8	S79 E99	K75-S79 WeakPolarHBondContact O-CB 3.39Å; K75-S79 PolarHBondContact O-N 3.09Å; K75-E99 WeakPolarHBondContact CD-OE1 3.38Å
76	I	93	Very high	94.8	Very high	94 Å²	94	66.6 Å²	66.6	48%	0.482	33%	0.334	S	S	.	.	H	α-helix	trans	-69.9	-42.8	-179	-55.3	-59.5	0	0	0	111.2	K45 G74 S79 I80	K45-I76 HydrophobicContact CD-CG2 4.19Å; K45-I76 HydrophobicContact CG-CG2 4.29Å; G74-I76 VanDerWaalsContact C-N 3.27Å; G74-I76 PolarHBondContact O-N 3.16Å; G74-I76 VanDerWaalsContact O-N 3.16Å; I76-S79 WeakPolarHBondContact O-CB 3.38Å; I76-S79 PolarHBondContact O-N 2.92Å; I76-I80 HydrophobicContact CG2-CD1 4.07Å; I76-I80 WeakPolarHBondContact O-CG1 3.43Å; I76-I80 PolarHBondContact O-N 2.93Å
77	E	94.6	Very high	95	Very high	82 Å²	82	67.3 Å²	67.3	38%	0.383	34%	0.344	S	S	.	.	H	α-helix	trans	-64.4	-43.9	179	-65.8	172.4	149.1	0	0	110.9	F48 M73 G74 S79 I80 L81	F48-E77 HydrophobicContact CD1-CB 4.39Å; F48-E77 HydrophobicContact CD1-CG 4.33Å; F48-E77 HydrophobicContact CE1-CB 3.72Å; F48-E77 HydrophobicContact CE1-CG 4.1Å; F48-E77 HydrophobicContact CE2-CB 4.48Å; F48-E77 HydrophobicContact CE2-CG 4.4Å; F48-E77 HydrophobicContact CZ-CB 3.78Å; F48-E77 HydrophobicContact CZ-CG 4.13Å; M73-E77 HydrophobicContact CB-CB 4.1Å; M73-E77 WeakPolarHBondContact CB-OE2 3.43Å; M73-E77 HydrophobicContact CG-CB 3.96Å; M73-E77 HydrophobicContact SD-CB 3.86Å; G74-E77 PolarHBondContact N-OE2 2.88Å; G74-E77 PolarHBondContact O-N 3.14Å; G74-E77 VanDerWaalsContact O-N 3.1Å; E77-S79 VanDerWaalsContact C-N 3.33Å; E77-S79 PolarHBondContact O-N 3.3Å; E77-I80 PolarHBondContact O-N 3.42Å; E77-L81 PolarHBondContact O-N 2.89Å
78	R	95.3	Very high	95.1	Very high	11 Å²	11	65.7 Å²	65.7	4%	0.042	35%	0.345	C	S	.	.	H	α-helix	trans	-57.9	-45.8	172.8	-66.5	-165.7	-65.5	-106.8	0.9	111.6	M73 G74 I80 L81 H82 E99 R102 V104	M73-R78 HydrophobicContact CG-CB 4.33Å; M73-R78 HydrophobicContact CG-CG 3.31Å; M73-R78 PolarHBondContact O-NH1 3.24Å; M73-R78 HydrophobicContact SD-CG 4.1Å; G74-R78 WeakPolarHBondContact O-CG 3.44Å; G74-R78 PolarHBondContact O-N 2.95Å; R78-I80 VanDerWaalsContact C-N 3.3Å; R78-I80 PolarHBondContact O-N 3.42Å; R78-L81 PolarHBondContact O-N 3.49Å; R78-H82 PolarHBondContact O-CD2 3.28Å; R78-H82 PolarHBondContact O-N 2.91Å; R78-E99 PolarHBondContact NH1-O 3.29Å; R78-E99 PolarHBondContact NH2-O 3.42Å; R78-R102 PolarHBondContact NH1-O 2.95Å; R78-V104 HydrophobicContact CB-CG2 3.9Å; R78-V104 HydrophobicContact CG-CG2 3.63Å
79	S	95.7	Very high	95	Very high	78 Å²	78	62.4 Å²	62.4	55%	0.545	35%	0.347	S	S	.	.	H	α-helix	trans	-60.9	-40.2	178.9	-171.7	0	0	0	0	112	K75 I76 E77 D83	K75-S79 WeakPolarHBondContact O-CB 3.39Å; K75-S79 PolarHBondContact O-N 3.09Å; I76-S79 WeakPolarHBondContact O-CB 3.38Å; I76-S79 PolarHBondContact O-N 2.92Å; E77-S79 VanDerWaalsContact C-N 3.33Å; E77-S79 PolarHBondContact O-N 3.3Å; S79-D83 PolarHBondContact O-N 3.47Å; S79-D83 VanDerWaalsContact O-N 3.08Å
80	I	96.2	Very high	95.1	Very high	23 Å²	23	57.3 Å²	57.3	12%	0.118	33%	0.325	C	S	.	.	H	α-helix	trans	-65.1	-43.2	176.1	-67.4	164.7	0	0	0	110.3	K45 F48 R49 I76 E77 R78 H82 D83 V84	K45-I80 HydrophobicContact CB-CD1 4.24Å; K45-I80 HydrophobicContact CG-CD1 4.46Å; F48-I80 HydrophobicContact CD1-CB 4.27Å; F48-I80 HydrophobicContact CD1-CD1 4.11Å; F48-I80 HydrophobicContact CD1-CG2 4.03Å; F48-I80 HydrophobicContact CE1-CB 4.35Å; F48-I80 HydrophobicContact CE1-CG2 4.33Å; R49-I80 HydrophobicContact CB-CG2 3.81Å; R49-I80 HydrophobicContact CG-CG2 4.01Å; I76-I80 HydrophobicContact CG2-CD1 4.07Å; I76-I80 WeakPolarHBondContact O-CG1 3.43Å; I76-I80 PolarHBondContact O-N 2.93Å; E77-I80 PolarHBondContact O-N 3.42Å; R78-I80 VanDerWaalsContact C-N 3.3Å; R78-I80 PolarHBondContact O-N 3.42Å; I80-H82 PolarHBondContact O-N 2.94Å; I80-D83 PolarHBondContact O-N 3.27Å; I80-V84 HydrophobicContact CG2-CG2 4.34Å; I80-V84 VanDerWaalsContact O-CG2 3.32Å; I80-V84 WeakPolarHBondContact O-CG2 3.38Å; I80-V84 PolarHBondContact O-N 3.45Å
81	L	96.8	Very high	95.1	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-65.2	-39.3	179.7	-175	59	0	0	0	112.3	M52 V56 Y70 M73 E77 R78 A85 V104 L106	M52-L81 HydrophobicContact CB-CD1 4.18Å; M52-L81 HydrophobicContact CG-CD1 4.21Å; M52-L81 HydrophobicContact SD-CD1 3.95Å; V56-L81 HydrophobicContact CG2-CD1 4.18Å; Y70-L81 HydrophobicContact CD1-CD2 4.06Å; Y70-L81 HydrophobicContact CD2-CD2 3.76Å; Y70-L81 HydrophobicContact CE1-CD1 4.49Å; Y70-L81 HydrophobicContact CE1-CD2 4.28Å; Y70-L81 HydrophobicContact CE2-CD1 4.47Å; Y70-L81 HydrophobicContact CE2-CD2 4.01Å; Y70-L81 HydrophobicContact CG-CD2 3.8Å; M73-L81 HydrophobicContact CE-CD2 3.94Å; M73-L81 HydrophobicContact SD-CD2 4.14Å; E77-L81 PolarHBondContact O-N 2.89Å; R78-L81 PolarHBondContact O-N 3.49Å; L81-A85 VanDerWaalsContact O-CB 3.26Å; L81-A85 WeakPolarHBondContact O-CB 3.48Å; L81-A85 PolarHBondContact O-N 3.36Å; L81-V104 HydrophobicContact CD2-CB 3.77Å; L81-V104 HydrophobicContact CD2-CG1 3.76Å; L81-V104 HydrophobicContact CD2-CG2 4.25Å; L81-V104 HydrophobicContact CG-CG1 4.23Å; L81-L106 HydrophobicContact CD1-CD1 4.18Å
82	H	97.3	Very high	95.1	Very high	49 Å²	49	53.1 Å²	53.1	23%	0.227	31%	0.308	C	S	.	.	H	α-helix	trans	-61.4	-46.3	172.8	-80.4	-68.1	0	0	0	112	R78 I80 A85 E86 S92 S94	R78-H82 PolarHBondContact O-CD2 3.28Å; R78-H82 PolarHBondContact O-N 2.91Å; I80-H82 PolarHBondContact O-N 2.94Å; H82-A85 PolarHBondContact O-N 2.97Å; H82-E86 WeakPolarHBondContact O-CB 3.4Å; H82-E86 PolarHBondContact O-N 2.91Å; H82-S92 VanDerWaalsContact ND1-CB 3.33Å; H82-S92 WeakPolarHBondContact ND1-CB 3.5Å; H82-S92 PolarHBondContact ND1-OG 3.33Å; H82-S94 PolarHBondContact NE2-OG 3.44Å
83	D	97.1	Very high	95.1	Very high	61 Å²	61	52.4 Å²	52.4	33%	0.326	30%	0.297	S	S	.	.	H	α-helix	trans	-58.5	-48.9	176.2	-179	45.8	0	0	0	111.5	R49 S79 I80 A85 E86 V87	R49-D83 IonicContact CZ-OD2 2.71Å; R49-D83 IonicContact NH1-OD2 3.87Å; R49-D83 PolarHBondContact NH1-OD2 3.34Å; R49-D83 IonicContact NH2-OD2 3.45Å; R49-D83 PolarHBondContact NH2-OD2 2.97Å; S79-D83 PolarHBondContact O-N 3.47Å; S79-D83 VanDerWaalsContact O-N 3.08Å; I80-D83 PolarHBondContact O-N 3.27Å; D83-A85 VanDerWaalsContact C-N 3.34Å; D83-A85 PolarHBondContact O-N 3.44Å; D83-E86 PolarHBondContact O-N 3.01Å; D83-V87 VanDerWaalsContact O-CG2 3.3Å; D83-V87 WeakPolarHBondContact O-CG2 3.39Å; D83-V87 PolarHBondContact O-N 3.24Å
84	V	97	Very high	95.2	Very high	7 Å²	7	53.3 Å²	53.3	4%	0.042	31%	0.306	C	S	.	.	H	α-helix	trans	-62.3	-41.7	178.3	172.9	0	0	0	0	111.6	R49 E53 V56 I80 A88	R49-V84 HydrophobicContact CG-CG2 4.08Å; E53-V84 HydrophobicContact CB-CG1 4.43Å; E53-V84 HydrophobicContact CG-CG1 3.85Å; E53-V84 HydrophobicContact CG-CG2 3.87Å; V56-V84 HydrophobicContact CB-CG1 4.15Å; V56-V84 HydrophobicContact CG1-CG1 4.41Å; V56-V84 HydrophobicContact CG2-CG1 4.02Å; I80-V84 HydrophobicContact CG2-CG2 4.34Å; I80-V84 VanDerWaalsContact O-CG2 3.32Å; I80-V84 WeakPolarHBondContact O-CG2 3.38Å; I80-V84 PolarHBondContact O-N 3.45Å; V84-A88 WeakPolarHBondContact O-CB 3.28Å; V84-A88 PolarHBondContact O-N 3.45Å
85	A	96.3	Very high	95.1	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-66.6	-41.3	178.5	0	0	0	0	0	112.6	L81 H82 D83 A88 G89 L90 L106	L81-A85 VanDerWaalsContact O-CB 3.26Å; L81-A85 WeakPolarHBondContact O-CB 3.48Å; L81-A85 PolarHBondContact O-N 3.36Å; H82-A85 PolarHBondContact O-N 2.97Å; D83-A85 VanDerWaalsContact C-N 3.34Å; D83-A85 PolarHBondContact O-N 3.44Å; A85-A88 CarbonylContact O-C 3.52Å; A85-A88 PolarHBondContact O-N 2.86Å; A85-G89 PolarHBondContact O-N 2.76Å; A85-G89 VanDerWaalsContact O-N 3.11Å; A85-L90 HydrophobicContact CB-CB 4.28Å; A85-L90 PolarHBondContact O-N 3.35Å; A85-L106 HydrophobicContact CB-CD1 4.41Å; A85-L106 HydrophobicContact CB-CD2 3.49Å; A85-L106 VanDerWaalsContact CB-CD2 3.49Å
86	E	95.2	Very high	94.9	Very high	149 Å²	149	46.9 Å²	46.9	70%	0.696	28%	0.278	S	S	*	.	H	α-helix	trans	-62.4	-46.5	176.8	-176.1	175.5	178.9	0	0	111.2	H82 D83 A88 G89	H82-E86 WeakPolarHBondContact O-CB 3.4Å; H82-E86 PolarHBondContact O-N 2.91Å; D83-E86 PolarHBondContact O-N 3.01Å; E86-A88 VanDerWaalsContact C-N 3.26Å; E86-A88 PolarHBondContact O-N 3.08Å; E86-G89 PolarHBondContact O-N 3.25Å
87	V	95.9	Very high	94.6	Very high	114 Å²	114	50.7 Å²	50.7	69%	0.691	29%	0.294	S	S	*	.	H	α-helix	trans	-60.6	-37.6	175.9	172.8	0	0	0	0	111.6	D83 G89	D83-V87 VanDerWaalsContact O-CG2 3.3Å; D83-V87 WeakPolarHBondContact O-CG2 3.39Å; D83-V87 PolarHBondContact O-N 3.24Å; V87-G89 PolarHBondContact O-N 3.24Å
88	A	94.3	Very high	94.2	Very high	43 Å²	43	51.6 Å²	51.6	36%	0.355	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-2.5	177.3	0	0	0	0	0	113.9	V56 I60 V84 A85 E86 L90	V56-A88 HydrophobicContact CG1-CB 3.83Å; I60-A88 HydrophobicContact CD1-CB 3.77Å; V84-A88 WeakPolarHBondContact O-CB 3.28Å; V84-A88 PolarHBondContact O-N 3.45Å; A85-A88 CarbonylContact O-C 3.52Å; A85-A88 PolarHBondContact O-N 2.86Å; E86-A88 VanDerWaalsContact C-N 3.26Å; E86-A88 PolarHBondContact O-N 3.08Å; A88-L90 HydrophobicContact CB-CG 4.45Å
89	G	93.3	Very high	93.6	Very high	44 Å²	44	56.6 Å²	56.6	45%	0.454	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	24.2	179.4	0	0	0	0	0	114.4	A85 E86 V87	A85-G89 PolarHBondContact O-N 2.76Å; A85-G89 VanDerWaalsContact O-N 3.11Å; E86-G89 PolarHBondContact O-N 3.25Å; V87-G89 PolarHBondContact O-N 3.24Å
90	L	94.8	Very high	93.1	Very high	19 Å²	19	61.4 Å²	61.4	10%	0.099	34%	0.339	C	S	.	.			trans	-94.8	155	175.9	-63.9	178.9	0	0	0	111.4	V56 F59 I60 A85 A88 L106 K108	V56-L90 HydrophobicContact CG1-CD1 3.63Å; F59-L90 HydrophobicContact CD1-CD1 3.91Å; F59-L90 HydrophobicContact CE1-CD1 4.03Å; F59-L90 HydrophobicContact CE1-CD2 4.37Å; I60-L90 HydrophobicContact CD1-CD1 4.1Å; I60-L90 HydrophobicContact CD1-CG 4.29Å; I60-L90 HydrophobicContact CG1-CD1 3.98Å; I60-L90 HydrophobicContact CG1-CD2 4.1Å; I60-L90 HydrophobicContact CG1-CG 4.29Å; A85-L90 HydrophobicContact CB-CB 4.28Å; A85-L90 PolarHBondContact O-N 3.35Å; A88-L90 HydrophobicContact CB-CG 4.45Å; L90-L106 HydrophobicContact CD1-CD1 4.43Å; L90-K108 HydrophobicContact CD2-CG 4.25Å
91	T	94.6	Very high	92.7	Very high	41 Å²	41	62.7 Å²	62.7	25%	0.252	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	127.3	173.6	-50.9	0	0	0	0	109.1	F93 F107	T91-F93 HydrophobicContact CG2-CD2 4.04Å; T91-F93 HydrophobicContact CG2-CE2 3.27Å; T91-F93 HydrophobicContact CG2-CZ 3.7Å; T91-F107 PolarHBondContact N-O 3.4Å; T91-F107 PolarHBondContact O-N 3.13Å
92	S	95.4	Very high	92.6	Very high	26 Å²	26	67 Å²	67	18%	0.182	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	134.7	-176.8	60.4	0	0	0	0	111.6	H82 M105	H82-S92 VanDerWaalsContact ND1-CB 3.33Å; H82-S92 WeakPolarHBondContact ND1-CB 3.5Å; H82-S92 PolarHBondContact ND1-OG 3.33Å; S92-M105 WeakPolarHBondContact CA-O 3.44Å
93	F	95.1	Very high	92.4	Very high	58 Å²	58	66.2 Å²	66.2	25%	0.254	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	142.7	178.3	-67.1	-71.3	0	0	0	111.2	T91 F95 V104 M105 F107 P113 L118	T91-F93 HydrophobicContact CG2-CD2 4.04Å; T91-F93 HydrophobicContact CG2-CE2 3.27Å; T91-F93 HydrophobicContact CG2-CZ 3.7Å; F93-F95 HydrophobicContact CB-CD2 4.39Å; F93-F95 HydrophobicContact CB-CE1 4.38Å; F93-F95 HydrophobicContact CB-CE2 3.56Å; F93-F95 HydrophobicContact CB-CZ 3.55Å; F93-F95 HydrophobicContact CG-CZ 4.25Å; F93-V104 CarbonylContact O-C 3.58Å; F93-V104 WeakPolarHBondContact O-CA 3.17Å; F93-M105 PolarHBondContact N-O 3.04Å; F93-M105 PolarHBondContact O-N 3.14Å; F93-F107 HydrophobicContact CD2-CD2 4.03Å; F93-F107 AromaticContact CD2-CE2 3.99Å; F93-F107 HydrophobicContact CD2-CE2 3.99Å; F93-P113 HydrophobicContact CD2-CG 3.92Å; F93-P113 HydrophobicContact CE2-CG 3.57Å; F93-L118 HydrophobicContact CB-CD2 4.46Å; F93-L118 HydrophobicContact CD1-CD2 4.15Å; F93-L118 HydrophobicContact CD2-CD2 3.54Å; F93-L118 HydrophobicContact CE1-CD1 4.02Å; F93-L118 HydrophobicContact CE1-CD2 4.26Å; F93-L118 HydrophobicContact CE2-CD1 4.08Å; F93-L118 HydrophobicContact CE2-CD2 3.64Å; F93-L118 HydrophobicContact CE2-CG 4.43Å; F93-L118 HydrophobicContact CG-CD2 3.79Å; F93-L118 HydrophobicContact CZ-CD1 3.7Å; F93-L118 HydrophobicContact CZ-CD2 4.02Å
94	S	94.1	Very high	92.4	Very high	46 Å²	46	63.3 Å²	63.3	32%	0.322	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	131.8	173.1	-82.8	0	0	0	0	110.1	H82 Y103	H82-S94 PolarHBondContact NE2-OG 3.44Å; S94-Y103 CarbonylContact C-O 3.59Å; S94-Y103 WeakPolarHBondContact CA-O 3.45Å
95	F	92.3	Very high	92.3	Very high	6 Å²	6	63.4 Å²	63.4	3%	0.026	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	148.3	178.4	-57	-77.1	0	0	0	110.4	F93 R102 Y103 M105 F107 L118 Y121 R122	F93-F95 HydrophobicContact CB-CD2 4.39Å; F93-F95 HydrophobicContact CB-CE1 4.38Å; F93-F95 HydrophobicContact CB-CE2 3.56Å; F93-F95 HydrophobicContact CB-CZ 3.55Å; F93-F95 HydrophobicContact CG-CZ 4.25Å; F95-R102 CarbonylContact O-C 3.56Å; F95-R102 VanDerWaalsContact O-CA 3.24Å; F95-R102 WeakPolarHBondContact O-CA 3.34Å; F95-R102 WeakPolarHBondContact O-CG 3.41Å; F95-Y103 HydrophobicContact CB-CD1 4.5Å; F95-Y103 HydrophobicContact CB-CE1 3.86Å; F95-Y103 HydrophobicContact CB-CE2 4.01Å; F95-Y103 HydrophobicContact CD2-CE2 4.09Å; F95-Y103 PolarHBondContact N-O 2.89Å; F95-Y103 VanDerWaalsContact O-CD1 3.24Å; F95-Y103 WeakPolarHBondContact O-CD1 3.43Å; F95-Y103 PolarHBondContact O-N 2.95Å; F95-M105 HydrophobicContact CD2-CB 4.3Å; F95-M105 HydrophobicContact CD2-CG 4.05Å; F95-M105 HydrophobicContact CD2-SD 3.85Å; F95-M105 HydrophobicContact CE2-CB 4.02Å; F95-M105 HydrophobicContact CE2-CG 4.14Å; F95-M105 HydrophobicContact CE2-SD 3.8Å; F95-F107 HydrophobicContact CE2-CE2 4.48Å; F95-L118 HydrophobicContact CE1-CD2 4.15Å; F95-L118 HydrophobicContact CZ-CD2 3.65Å; F95-Y121 VanDerWaalsContact CE1-CB 3.45Å; F95-Y121 HydrophobicContact CE1-CG 4.48Å; F95-Y121 HydrophobicContact CE2-CD2 4.5Å; F95-Y121 HydrophobicContact CE2-CG 4.47Å; F95-Y121 HydrophobicContact CZ-CD2 4.17Å; F95-Y121 HydrophobicContact CZ-CG 4.25Å; F95-R122 HydrophobicContact CD1-CG 3.9Å; F95-R122 HydrophobicContact CE1-CG 4.02Å
96	G	89.6	Confident	92.2	Very high	34 Å²	34	63.4 Å²	63.4	35%	0.351	35%	0.346	S	S	.	.			trans	125.7	141.3	-177.8	0	0	0	0	0	111.8
97	E	85.6	Confident	92.2	Very high	173 Å²	173	56.4 Å²	56.4	81%	0.808	31%	0.313	S	S	*	.	S	Bend	trans	-72.7	-54.7	-175.6	-169.8	166.8	-160.7	0	0	110.7
98	D	87.1	Confident	92.2	Very high	102 Å²	102	52.1 Å²	52.1	55%	0.545	29%	0.286	S	S	.	.	S	Bend	trans	-87.4	159.6	-176.3	-54.2	-52.5	0	0	0	113.7	E100 S101 R102	D98-E100 PolarHBondContact O-N 3.48Å; D98-S101 WeakPolarHBondContact CB-OG 3.49Å; D98-S101 PolarHBondContact N-OG 3.21Å; D98-S101 PolarHBondContact O-N 3.34Å; D98-R102 WeakPolarHBondContact O-CB 3.39Å; D98-R102 PolarHBondContact O-N 2.96Å; D98-R102 VanDerWaalsContact O-N 3.1Å
99	E	83.3	Confident	92	Very high	115 Å²	115	58.1 Å²	58.1	54%	0.537	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-28.3	178.3	-168.8	161.6	-154.5	0	0	112.8	K75 R78	K75-E99 WeakPolarHBondContact CD-OE1 3.38Å; R78-E99 PolarHBondContact NH1-O 3.29Å; R78-E99 PolarHBondContact NH2-O 3.42Å
100	E	83.4	Confident	91.7	Very high	180 Å²	180	64.3 Å²	64.3	84%	0.841	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-33.9	-179.7	-62.6	-178.3	176.2	0	0	113.1	P72 D98	P72-E100 WeakPolarHBondContact CB-O 3.33Å; D98-E100 PolarHBondContact O-N 3.48Å
101	S	89.4	Confident	91.4	Very high	49 Å²	49	67.6 Å²	67.6	34%	0.343	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-10.7	179.7	63.3	0	0	0	0	113.2	D98 Y103	D98-S101 WeakPolarHBondContact CB-OG 3.49Å; D98-S101 PolarHBondContact N-OG 3.21Å; D98-S101 PolarHBondContact O-N 3.34Å; S101-Y103 PolarHBondContact O-N 3.08Å
102	R	93	Very high	91	Very high	90 Å²	90	68 Å²	68	34%	0.34	34%	0.342	S	S	.	.			trans	-69.8	121.3	-177.5	-179.1	-176.5	-54.9	166.8	9.2	112.4	P72 M73 R78 F95 D98	P72-R102 WeakPolarHBondContact CA-O 3.41Å; M73-R102 PolarHBondContact N-O 3.37Å; R78-R102 PolarHBondContact NH1-O 2.95Å; F95-R102 CarbonylContact O-C 3.56Å; F95-R102 VanDerWaalsContact O-CA 3.24Å; F95-R102 WeakPolarHBondContact O-CA 3.34Å; F95-R102 WeakPolarHBondContact O-CG 3.41Å; D98-R102 WeakPolarHBondContact O-CB 3.39Å; D98-R102 PolarHBondContact O-N 2.96Å; D98-R102 VanDerWaalsContact O-N 3.1Å
103	Y	94.5	Very high	90.7	Very high	33 Å²	33	67.5 Å²	67.5	13%	0.129	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	164.2	179.9	66.4	-86.9	0	0	0	111.1	K69 Y70 S94 F95 S101 M105	K69-Y103 HydrophobicContact CD-CD2 4.25Å; K69-Y103 HydrophobicContact CD-CE2 3.95Å; K69-Y103 VanDerWaalsContact CE-CE2 3.46Å; K69-Y103 HydrophobicContact CG-CD2 3.92Å; K69-Y103 HydrophobicContact CG-CE2 4.03Å; Y70-Y103 WeakPolarHBondContact O-CB 3.48Å; S94-Y103 CarbonylContact C-O 3.59Å; S94-Y103 WeakPolarHBondContact CA-O 3.45Å; F95-Y103 HydrophobicContact CB-CD1 4.5Å; F95-Y103 HydrophobicContact CB-CE1 3.86Å; F95-Y103 HydrophobicContact CB-CE2 4.01Å; F95-Y103 HydrophobicContact CD2-CE2 4.09Å; F95-Y103 PolarHBondContact N-O 2.89Å; F95-Y103 VanDerWaalsContact O-CD1 3.24Å; F95-Y103 WeakPolarHBondContact O-CD1 3.43Å; F95-Y103 PolarHBondContact O-N 2.95Å; S101-Y103 PolarHBondContact O-N 3.08Å; Y103-M105 HydrophobicContact CD2-CG 3.98Å; Y103-M105 HydrophobicContact CE2-CG 3.65Å; Y103-M105 HydrophobicContact CE2-SD 3.74Å
104	V	95.6	Very high	90.4	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	139.3	179.8	-176.6	0	0	0	0	109.5	Y70 R78 L81 F93 L106	Y70-V104 WeakPolarHBondContact CB-O 3.43Å; Y70-V104 PolarHBondContact N-O 3.38Å; R78-V104 HydrophobicContact CB-CG2 3.9Å; R78-V104 HydrophobicContact CG-CG2 3.63Å; L81-V104 HydrophobicContact CD2-CB 3.77Å; L81-V104 HydrophobicContact CD2-CG1 3.76Å; L81-V104 HydrophobicContact CD2-CG2 4.25Å; L81-V104 HydrophobicContact CG-CG1 4.23Å; F93-V104 CarbonylContact O-C 3.58Å; F93-V104 WeakPolarHBondContact O-CA 3.17Å; V104-L106 HydrophobicContact CG1-CD2 4.28Å
105	M	95	Very high	90.1	Very high	9 Å²	9	71.5 Å²	71.5	4%	0.044	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	136.8	168.1	-67.6	-178.5	69.4	0	0	110.1	K67 R68 K69 S92 F93 F95 Y103 F107 Y121	K67-M105 HydrophobicContact CD-CE 4.31Å; R68-M105 CarbonylContact O-C 3.53Å; R68-M105 VanDerWaalsContact O-CA 3.32Å; R68-M105 WeakPolarHBondContact O-CA 3.46Å; K69-M105 HydrophobicContact CB-CG 4.15Å; K69-M105 HydrophobicContact CG-CG 4.13Å; S92-M105 WeakPolarHBondContact CA-O 3.44Å; F93-M105 PolarHBondContact N-O 3.04Å; F93-M105 PolarHBondContact O-N 3.14Å; F95-M105 HydrophobicContact CD2-CB 4.3Å; F95-M105 HydrophobicContact CD2-CG 4.05Å; F95-M105 HydrophobicContact CD2-SD 3.85Å; F95-M105 HydrophobicContact CE2-CB 4.02Å; F95-M105 HydrophobicContact CE2-CG 4.14Å; F95-M105 HydrophobicContact CE2-SD 3.8Å; Y103-M105 HydrophobicContact CD2-CG 3.98Å; Y103-M105 HydrophobicContact CE2-CG 3.65Å; Y103-M105 HydrophobicContact CE2-SD 3.74Å; M105-F107 HydrophobicContact CB-CD2 4.4Å; M105-F107 HydrophobicContact CB-CE2 3.6Å; M105-F107 HydrophobicContact CB-CZ 4.11Å; M105-F107 HydrophobicContact CE-CE1 4.32Å; M105-F107 HydrophobicContact CE-CE2 4.4Å; M105-F107 HydrophobicContact CE-CZ 3.72Å; M105-F107 HydrophobicContact SD-CZ 4.36Å; M105-Y121 HydrophobicContact CE-CE1 4.29Å; M105-Y121 HydrophobicContact CE-CE2 4.29Å; M105-Y121 HydrophobicContact SD-CD1 4.38Å; M105-Y121 HydrophobicContact SD-CE1 4.47Å
106	L	95.6	Very high	89.8	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	140.6	172.7	-59.8	-175.1	0	0	0	109.8	V56 F59 K67 R68 Y70 L81 A85 L90 V104	V56-L106 HydrophobicContact CG2-CD1 3.77Å; F59-L106 HydrophobicContact CE1-CB 4.44Å; K67-L106 CarbonylContact C-O 3.58Å; K67-L106 VanDerWaalsContact CA-O 3.22Å; K67-L106 WeakPolarHBondContact CA-O 3.4Å; R68-L106 HydrophobicContact CB-CB 4.49Å; R68-L106 PolarHBondContact N-O 2.98Å; R68-L106 PolarHBondContact O-N 3.18Å; Y70-L106 HydrophobicContact CD2-CG 4.41Å; Y70-L106 HydrophobicContact CE2-CB 4.49Å; Y70-L106 HydrophobicContact CE2-CD1 3.62Å; Y70-L106 HydrophobicContact CE2-CG 3.75Å; L81-L106 HydrophobicContact CD1-CD1 4.18Å; A85-L106 HydrophobicContact CB-CD1 4.41Å; A85-L106 HydrophobicContact CB-CD2 3.49Å; A85-L106 VanDerWaalsContact CB-CD2 3.49Å; L90-L106 HydrophobicContact CD1-CD1 4.43Å; V104-L106 HydrophobicContact CG1-CD2 4.28Å
107	F	95	Very high	89.6	Confident	2 Å²	2	74.2 Å²	74.2	1%	0.009	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	138.3	177.8	-60.8	-99.3	0	0	0	108.5	K67 T91 F93 F95 M105 P113 Y121	K67-F107 HydrophobicContact CB-CD1 3.65Å; K67-F107 HydrophobicContact CB-CE1 3.9Å; K67-F107 HydrophobicContact CB-CG 4.32Å; K67-F107 HydrophobicContact CD-CD1 4.12Å; K67-F107 HydrophobicContact CD-CE1 3.64Å; K67-F107 HydrophobicContact CG-CE1 4.44Å; T91-F107 PolarHBondContact N-O 3.4Å; T91-F107 PolarHBondContact O-N 3.13Å; F93-F107 HydrophobicContact CD2-CD2 4.03Å; F93-F107 AromaticContact CD2-CE2 3.99Å; F93-F107 HydrophobicContact CD2-CE2 3.99Å; F95-F107 HydrophobicContact CE2-CE2 4.48Å; M105-F107 HydrophobicContact CB-CD2 4.4Å; M105-F107 HydrophobicContact CB-CE2 3.6Å; M105-F107 HydrophobicContact CB-CZ 4.11Å; M105-F107 HydrophobicContact CE-CE1 4.32Å; M105-F107 HydrophobicContact CE-CE2 4.4Å; M105-F107 HydrophobicContact CE-CZ 3.72Å; M105-F107 HydrophobicContact SD-CZ 4.36Å; F107-P113 HydrophobicContact CD1-CB 4.24Å; F107-P113 HydrophobicContact CD1-CG 4.01Å; F107-P113 HydrophobicContact CD2-CG 4.02Å; F107-P113 HydrophobicContact CE1-CB 3.92Å; F107-P113 HydrophobicContact CE1-CG 3.93Å; F107-P113 HydrophobicContact CE2-CG 3.96Å; F107-P113 HydrophobicContact CG-CG 4.05Å; F107-P113 HydrophobicContact CZ-CB 4.17Å; F107-P113 HydrophobicContact CZ-CG 3.91Å; F107-Y121 HydrophobicContact CE1-CE2 4.3Å; F107-Y121 HydrophobicContact CZ-CD2 4.39Å; F107-Y121 AromaticContact CZ-CE2 3.98Å; F107-Y121 HydrophobicContact CZ-CE2 3.98Å
108	K	94.6	Very high	89.8	Confident	25 Å²	25	66.5 Å²	66.5	11%	0.109	33%	0.331	C	S	.	.			trans	-66	148	169.8	-70.4	-171.8	-179.9	-170.1	0	109.7	F59 I60 D62 Q65 Q66 L90 E110 F111 A112	F59-K108 HydrophobicContact CE1-CG 3.81Å; F59-K108 HydrophobicContact CZ-CD 4.48Å; F59-K108 HydrophobicContact CZ-CG 3.82Å; F59-K108 WeakPolarHBondContact O-CE 3.45Å; F59-K108 PolarHBondContact O-NZ 3.12Å; F59-K108 VanDerWaalsContact O-NZ 3.17Å; I60-K108 PolarHBondContact O-NZ 3.37Å; D62-K108 PolarHBondContact O-NZ 3.43Å; Q65-K108 WeakPolarHBondContact O-CD 3.47Å; Q65-K108 WeakPolarHBondContact O-CE 3.33Å; Q65-K108 PolarHBondContact O-NZ 3.19Å; Q66-K108 PolarHBondContact O-N 3.28Å; Q66-K108 VanDerWaalsContact O-N 3.13Å; L90-K108 HydrophobicContact CD2-CG 4.25Å; K108-E110 PolarHBondContact O-N 3.44Å; K108-F111 HydrophobicContact CB-CD2 3.98Å; K108-F111 CarbonylContact O-C 3.5Å; K108-F111 WeakPolarHBondContact O-CA 3.43Å; K108-F111 PolarHBondContact O-N 3.22Å; K108-A112 PolarHBondContact O-N 3.02Å; K108-A112 VanDerWaalsContact O-N 3.07Å
109	K	90.4	Very high	89.8	Confident	169 Å²	169	66.3 Å²	66.3	74%	0.735	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-56.4	-36.9	-176.1	-172.6	173.9	-179.8	177.9	0	113.2	F111	K109-F111 VanDerWaalsContact C-N 3.29Å
110	E	87.8	Confident	90.1	Very high	174 Å²	174	61.2 Å²	61.2	81%	0.813	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-72.9	-22.4	177.3	-59.1	-177.7	143	0	0	113.2	K108	K108-E110 PolarHBondContact O-N 3.44Å
111	F	87.2	Confident	90.3	Very high	87 Å²	87	54.1 Å²	54.1	38%	0.382	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-117.2	34	-177.4	-56.9	-81.5	0	0	0	110.6	Q66 K108 K109	Q66-F111 HydrophobicContact CB-CB 4.06Å; Q66-F111 HydrophobicContact CB-CD1 4.28Å; Q66-F111 HydrophobicContact CB-CD2 4.26Å; Q66-F111 HydrophobicContact CB-CG 3.93Å; Q66-F111 HydrophobicContact CG-CB 4.49Å; Q66-F111 HydrophobicContact CG-CD1 3.81Å; Q66-F111 HydrophobicContact CG-CD2 4.03Å; Q66-F111 HydrophobicContact CG-CE1 3.98Å; Q66-F111 HydrophobicContact CG-CE2 4.19Å; Q66-F111 HydrophobicContact CG-CG 3.83Å; Q66-F111 HydrophobicContact CG-CZ 4.16Å; Q66-F111 VanDerWaalsContact NE2-CE1 3.27Å; K108-F111 HydrophobicContact CB-CD2 3.98Å; K108-F111 CarbonylContact O-C 3.5Å; K108-F111 WeakPolarHBondContact O-CA 3.43Å; K108-F111 PolarHBondContact O-N 3.22Å; K109-F111 VanDerWaalsContact C-N 3.29Å
112	A	87.8	Confident	90.3	Very high	51 Å²	51	60 Å²	60	42%	0.421	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-63	134.2	175.9	0	0	0	0	0	109.3	K108	K108-A112 PolarHBondContact O-N 3.02Å; K108-A112 VanDerWaalsContact O-N 3.07Å
113	P	89.4	Confident	90	Very high	14 Å²	14	62.2 Å²	62.2	9%	0.091	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-67.7	147	-175.4	29.1	-34.7	0	0	0	110.4	F93 F107 E117 L118	F93-P113 HydrophobicContact CD2-CG 3.92Å; F93-P113 HydrophobicContact CE2-CG 3.57Å; F107-P113 HydrophobicContact CD1-CB 4.24Å; F107-P113 HydrophobicContact CD1-CG 4.01Å; F107-P113 HydrophobicContact CD2-CG 4.02Å; F107-P113 HydrophobicContact CE1-CB 3.92Å; F107-P113 HydrophobicContact CE1-CG 3.93Å; F107-P113 HydrophobicContact CE2-CG 3.96Å; F107-P113 HydrophobicContact CG-CG 4.05Å; F107-P113 HydrophobicContact CZ-CB 4.17Å; F107-P113 HydrophobicContact CZ-CG 3.91Å; P113-E117 WeakPolarHBondContact CA-OE2 3.45Å; P113-E117 HydrophobicContact CB-CB 4.19Å; P113-E117 HydrophobicContact CB-CG 3.93Å; P113-E117 WeakPolarHBondContact CB-OE2 3.49Å; P113-L118 HydrophobicContact CB-CD2 4.06Å; P113-L118 HydrophobicContact CB-CG 4.16Å; P113-L118 HydrophobicContact CG-CD2 3.53Å; P113-L118 HydrophobicContact CG-CG 3.94Å
114	S	87.7	Confident	89.4	Confident	58 Å²	58	63.6 Å²	63.6	41%	0.406	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-72.4	161.4	172	66.9	0	0	0	0	111.1	E116 E117 L118	S114-E116 PolarHBondContact O-N 3.18Å; S114-E117 PolarHBondContact O-N 3.49Å; S114-E117 VanDerWaalsContact O-N 3.08Å; S114-E117 WeakPolarHBondContact OG-CB 3.41Å; S114-E117 PolarHBondContact OG-N 2.92Å; S114-L118 WeakPolarHBondContact O-CG 3.44Å; S114-L118 PolarHBondContact O-N 3Å
115	D	87.4	Confident	88.9	Confident	130 Å²	130	68.6 Å²	68.6	70%	0.695	35%	0.345	S	S	*	.	H	α-helix	trans	-57.3	-37	176.9	-68.6	-21.4	0	0	0	112.2	L118 E119	D115-L118 WeakPolarHBondContact O-CB 3.32Å; D115-L118 PolarHBondContact O-N 2.9Å; D115-E119 WeakPolarHBondContact O-CG 3.32Å; D115-E119 PolarHBondContact O-N 3.32Å
116	E	85.7	Confident	88.1	Confident	75 Å²	75	76.4 Å²	76.4	35%	0.35	38%	0.381	S	S	.	.	H	α-helix	trans	-66.9	-40.7	176.2	-164.9	-179	-174.5	0	0	112	S114 L118 E119 A120 W127	S114-E116 PolarHBondContact O-N 3.18Å; E116-L118 VanDerWaalsContact C-N 3.35Å; E116-E119 PolarHBondContact O-N 2.95Å; E116-A120 PolarHBondContact O-N 3.32Å; E116-W127 HydrophobicContact CB-CH2 3.93Å; E116-W127 HydrophobicContact CB-CZ3 4.28Å; E116-W127 HydrophobicContact CG-CH2 3.78Å; E116-W127 HydrophobicContact CG-CZ3 3.79Å
117	E	86.3	Confident	87.4	Confident	23 Å²	23	78.5 Å²	78.5	11%	0.107	39%	0.389	C	S	.	.	H	α-helix	trans	-64.7	-40	174.8	178.1	171.6	-165.5	0	0	111	K67 P113 S114 E119 A120 Y121 W127	K67-E117 IonicContact NZ-OE1 3.91Å; K67-E117 PolarHBondContact NZ-OE1 3Å; P113-E117 WeakPolarHBondContact CA-OE2 3.45Å; P113-E117 HydrophobicContact CB-CB 4.19Å; P113-E117 HydrophobicContact CB-CG 3.93Å; P113-E117 WeakPolarHBondContact CB-OE2 3.49Å; S114-E117 PolarHBondContact O-N 3.49Å; S114-E117 VanDerWaalsContact O-N 3.08Å; S114-E117 WeakPolarHBondContact OG-CB 3.41Å; S114-E117 PolarHBondContact OG-N 2.92Å; E117-E119 PolarHBondContact O-N 2.89Å; E117-A120 PolarHBondContact O-N 3.08Å; E117-Y121 HydrophobicContact CG-CD2 3.82Å; E117-Y121 HydrophobicContact CG-CE2 3.34Å; E117-Y121 WeakPolarHBondContact O-CD2 3.46Å; E117-Y121 PolarHBondContact O-N 3.16Å; E117-Y121 WeakPolarHBondContact OE1-CE2 3.49Å; E117-Y121 PolarHBondContact OE1-OH 3.35Å; E117-W127 HydrophobicContact CB-CD2 3.87Å; E117-W127 HydrophobicContact CB-CE3 4.36Å; E117-W127 HydrophobicContact CB-CG 4.19Å; E117-W127 HydrophobicContact CB-CH2 4.38Å; E117-W127 HydrophobicContact CB-CZ2 3.93Å; E117-W127 VanDerWaalsContact CD-CD1 3.42Å; E117-W127 HydrophobicContact CG-CB 4.27Å; E117-W127 HydrophobicContact CG-CD2 3.94Å; E117-W127 HydrophobicContact CG-CG 3.7Å
118	L	89.9	Confident	86.7	Confident	11 Å²	11	82.5 Å²	82.5	6%	0.058	41%	0.411	C	S	.	.	H	α-helix	trans	-62.3	-41.3	175.3	-71.9	177.1	0	0	0	112.4	F93 F95 P113 S114 D115 E116 Y121 R122	F93-L118 HydrophobicContact CB-CD2 4.46Å; F93-L118 HydrophobicContact CD1-CD2 4.15Å; F93-L118 HydrophobicContact CD2-CD2 3.54Å; F93-L118 HydrophobicContact CE1-CD1 4.02Å; F93-L118 HydrophobicContact CE1-CD2 4.26Å; F93-L118 HydrophobicContact CE2-CD1 4.08Å; F93-L118 HydrophobicContact CE2-CD2 3.64Å; F93-L118 HydrophobicContact CE2-CG 4.43Å; F93-L118 HydrophobicContact CG-CD2 3.79Å; F93-L118 HydrophobicContact CZ-CD1 3.7Å; F93-L118 HydrophobicContact CZ-CD2 4.02Å; F95-L118 HydrophobicContact CE1-CD2 4.15Å; F95-L118 HydrophobicContact CZ-CD2 3.65Å; P113-L118 HydrophobicContact CB-CD2 4.06Å; P113-L118 HydrophobicContact CB-CG 4.16Å; P113-L118 HydrophobicContact CG-CD2 3.53Å; P113-L118 HydrophobicContact CG-CG 3.94Å; S114-L118 WeakPolarHBondContact O-CG 3.44Å; S114-L118 PolarHBondContact O-N 3Å; D115-L118 WeakPolarHBondContact O-CB 3.32Å; D115-L118 PolarHBondContact O-N 2.9Å; E116-L118 VanDerWaalsContact C-N 3.35Å; L118-Y121 PolarHBondContact O-N 3.35Å; L118-R122 WeakPolarHBondContact O-CG 3.24Å; L118-R122 PolarHBondContact O-N 3.3Å
119	E	87.4	Confident	85.8	Confident	98 Å²	98	85.5 Å²	85.5	46%	0.458	43%	0.433	S	S	.	.	H	α-helix	trans	-64.9	-41.8	175.9	-75.3	-178.3	-167.6	0	0	112.3	D115 E116 E117 Y121 R122 K123	D115-E119 WeakPolarHBondContact O-CG 3.32Å; D115-E119 PolarHBondContact O-N 3.32Å; E116-E119 PolarHBondContact O-N 2.95Å; E117-E119 PolarHBondContact O-N 2.89Å; E119-Y121 VanDerWaalsContact C-N 3.3Å; E119-Y121 PolarHBondContact O-N 3.07Å; E119-R122 PolarHBondContact O-N 2.89Å; E119-K123 WeakPolarHBondContact O-CG 3.2Å; E119-K123 PolarHBondContact O-N 3.19Å
120	A	88.6	Confident	85.2	Confident	8 Å²	8	85 Å²	85	7%	0.066	43%	0.433	C	S	.	.	H	α-helix	trans	-58	-45.6	174.3	0	0	0	0	0	110.7	E116 E117 R122 K123 G124 E125 W127	E116-A120 PolarHBondContact O-N 3.32Å; E117-A120 PolarHBondContact O-N 3.08Å; A120-R122 PolarHBondContact O-N 2.94Å; A120-K123 CarbonylContact O-C 3.59Å; A120-K123 PolarHBondContact O-N 2.8Å; A120-G124 PolarHBondContact O-N 3.05Å; A120-E125 HydrophobicContact CB-CB 4.36Å; A120-E125 PolarHBondContact O-N 3.43Å; A120-W127 HydrophobicContact CB-CB 4.48Å; A120-W127 HydrophobicContact CB-CE3 3.81Å; A120-W127 HydrophobicContact CB-CZ3 4.48Å
121	Y	88.3	Confident	84.6	Confident	30 Å²	30	82 Å²	82	12%	0.118	42%	0.422	C	S	.	.	H	α-helix	trans	-64.8	-36	176.3	-73	-48.3	0	0	0	114	K67 F95 M105 F107 E117 L118 E119 K123 G124 W127	K67-Y121 PolarHBondContact NZ-OH 2.8Å; F95-Y121 VanDerWaalsContact CE1-CB 3.45Å; F95-Y121 HydrophobicContact CE1-CG 4.48Å; F95-Y121 HydrophobicContact CE2-CD2 4.5Å; F95-Y121 HydrophobicContact CE2-CG 4.47Å; F95-Y121 HydrophobicContact CZ-CD2 4.17Å; F95-Y121 HydrophobicContact CZ-CG 4.25Å; M105-Y121 HydrophobicContact CE-CE1 4.29Å; M105-Y121 HydrophobicContact CE-CE2 4.29Å; M105-Y121 HydrophobicContact SD-CD1 4.38Å; M105-Y121 HydrophobicContact SD-CE1 4.47Å; F107-Y121 HydrophobicContact CE1-CE2 4.3Å; F107-Y121 HydrophobicContact CZ-CD2 4.39Å; F107-Y121 AromaticContact CZ-CE2 3.98Å; F107-Y121 HydrophobicContact CZ-CE2 3.98Å; E117-Y121 HydrophobicContact CG-CD2 3.82Å; E117-Y121 HydrophobicContact CG-CE2 3.34Å; E117-Y121 WeakPolarHBondContact O-CD2 3.46Å; E117-Y121 PolarHBondContact O-N 3.16Å; E117-Y121 WeakPolarHBondContact OE1-CE2 3.49Å; E117-Y121 PolarHBondContact OE1-OH 3.35Å; L118-Y121 PolarHBondContact O-N 3.35Å; E119-Y121 VanDerWaalsContact C-N 3.3Å; E119-Y121 PolarHBondContact O-N 3.07Å; Y121-K123 VanDerWaalsContact C-N 3.31Å; Y121-G124 PolarHBondContact O-N 2.79Å; Y121-W127 HydrophobicContact CE1-CB 4.47Å
122	R	89.5	Confident	84	Confident	172 Å²	172	78.3 Å²	78.3	65%	0.649	41%	0.408	S	S	*	.	H	α-helix	trans	-66	-34.7	174	-74.1	172.7	-178	169.5	3.4	112.3	F95 L118 E119 A120 G124	F95-R122 HydrophobicContact CD1-CG 3.9Å; F95-R122 HydrophobicContact CE1-CG 4.02Å; L118-R122 WeakPolarHBondContact O-CG 3.24Å; L118-R122 PolarHBondContact O-N 3.3Å; E119-R122 PolarHBondContact O-N 2.89Å; A120-R122 PolarHBondContact O-N 2.94Å; R122-G124 VanDerWaalsContact C-N 3.29Å
123	K	87.4	Confident	83.5	Confident	137 Å²	137	79.9 Å²	79.9	60%	0.596	41%	0.407	S	S	*	.	H	α-helix	trans	-77.8	-13.8	175	-68.2	169.5	-175.9	167.5	0	113	E119 A120 Y121 E125	E119-K123 WeakPolarHBondContact O-CG 3.2Å; E119-K123 PolarHBondContact O-N 3.19Å; A120-K123 CarbonylContact O-C 3.59Å; A120-K123 PolarHBondContact O-N 2.8Å; Y121-K123 VanDerWaalsContact C-N 3.31Å; K123-E125 VanDerWaalsContact C-N 3.31Å; K123-E125 HydrophobicContact CB-CG 4.03Å
124	G	81.8	Confident	82.9	Confident	63 Å²	63	85 Å²	85	65%	0.649	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	15.9	-174.5	0	0	0	0	0	113.7	A120 Y121 R122	A120-G124 PolarHBondContact O-N 3.05Å; Y121-G124 PolarHBondContact O-N 2.79Å; R122-G124 VanDerWaalsContact C-N 3.29Å
125	E	83.8	Confident	82.5	Confident	104 Å²	104	90 Å²	90	49%	0.486	44%	0.439	S	S	.	.			trans	-79.1	149	177.3	-66.8	175.8	-172.5	0	0	110.8	A120 K123 W127	A120-E125 HydrophobicContact CB-CB 4.36Å; A120-E125 PolarHBondContact O-N 3.43Å; K123-E125 VanDerWaalsContact C-N 3.31Å; K123-E125 HydrophobicContact CB-CG 4.03Å; E125-W127 PolarHBondContact O-N 3.26Å
126	Q	78.5	Confident	82.1	Confident	174 Å²	174	90.8 Å²	90.8	81%	0.813	43%	0.432	S	S	*	.			trans	-78.2	118.8	174.1	-173.5	166.9	7.9	0	0	109.5	D128	Q126-D128 PolarHBondContact O-N 2.81Å
127	W	80.5	Confident	82	Confident	44 Å²	44	93.9 Å²	93.9	17%	0.167	44%	0.441	C	S	.	.			trans	-84.1	113.4	176.6	-179.3	-105.2	0	0	0	111.5	E116 E117 A120 Y121 E125 A132	E116-W127 HydrophobicContact CB-CH2 3.93Å; E116-W127 HydrophobicContact CB-CZ3 4.28Å; E116-W127 HydrophobicContact CG-CH2 3.78Å; E116-W127 HydrophobicContact CG-CZ3 3.79Å; E117-W127 HydrophobicContact CB-CD2 3.87Å; E117-W127 HydrophobicContact CB-CE3 4.36Å; E117-W127 HydrophobicContact CB-CG 4.19Å; E117-W127 HydrophobicContact CB-CH2 4.38Å; E117-W127 HydrophobicContact CB-CZ2 3.93Å; E117-W127 VanDerWaalsContact CD-CD1 3.42Å; E117-W127 HydrophobicContact CG-CB 4.27Å; E117-W127 HydrophobicContact CG-CD2 3.94Å; E117-W127 HydrophobicContact CG-CG 3.7Å; A120-W127 HydrophobicContact CB-CB 4.48Å; A120-W127 HydrophobicContact CB-CE3 3.81Å; A120-W127 HydrophobicContact CB-CZ3 4.48Å; Y121-W127 HydrophobicContact CE1-CB 4.47Å; E125-W127 PolarHBondContact O-N 3.26Å; W127-A132 HydrophobicContact CD2-CB 4.47Å; W127-A132 HydrophobicContact CE3-CB 4.38Å; W127-A132 HydrophobicContact CH2-CB 3.16Å; W127-A132 HydrophobicContact CZ2-CB 3.22Å; W127-A132 HydrophobicContact CZ3-CB 3.77Å
128	D	80.8	Confident	81.9	Confident	85 Å²	85	98.1 Å²	98.1	46%	0.455	46%	0.464	S	S	.	.			trans	-106	116.6	169.5	-79.6	-22.8	0	0	0	110.4	Q126 Q130 L131 A132	Q126-D128 PolarHBondContact O-N 2.81Å; D128-Q130 VanDerWaalsContact C-N 3.25Å; D128-Q130 PolarHBondContact O-N 2.83Å; D128-L131 HydrophobicContact CB-CB 4.07Å; D128-L131 PolarHBondContact O-N 2.78Å; D128-A132 PolarHBondContact O-N 3.44Å; D128-A132 VanDerWaalsContact O-N 3.08Å
129	P	75.9	Confident	81.7	Confident	88 Å²	88	105.4 Å²	105.4	57%	0.571	50%	0.495	S	S	*	.	H	α-helix	trans	-57.7	-34	-176.3	-26.9	34.1	0	0	0	114.5	E133	P129-E133 PolarHBondContact O-N 2.9Å; P129-E133 VanDerWaalsContact O-N 3.13Å
130	Q	77.1	Confident	81.6	Confident	158 Å²	158	106 Å²	106	74%	0.738	50%	0.498	S	S	*	.	H	α-helix	trans	-71.4	-41.6	-179.6	-67.7	-178.6	-26.7	0	0	112	D128 A132 E133 Q134	D128-Q130 VanDerWaalsContact C-N 3.25Å; D128-Q130 PolarHBondContact O-N 2.83Å; Q130-A132 VanDerWaalsContact C-N 3.31Å; Q130-E133 PolarHBondContact O-N 2.85Å; Q130-Q134 WeakPolarHBondContact O-CG 3.24Å; Q130-Q134 PolarHBondContact O-N 3.48Å; Q130-Q134 VanDerWaalsContact O-N 3.14Å
131	L	76.6	Confident	81.5	Confident	111 Å²	111	111 Å²	111	58%	0.581	52%	0.52	S	S	*	.	H	α-helix	trans	-66.9	-38.5	177.8	-170.8	69.6	0	0	0	110.6	D128 Q134 R135	D128-L131 HydrophobicContact CB-CB 4.07Å; D128-L131 PolarHBondContact O-N 2.78Å; L131-Q134 PolarHBondContact O-N 3.3Å; L131-R135 WeakPolarHBondContact O-CB 3.25Å; L131-R135 PolarHBondContact O-N 3.1Å
132	A	74.3	Confident	81.5	Confident	11 Å²	11	111.8 Å²	111.8	9%	0.091	53%	0.532	C	S	.	.	H	α-helix	trans	-60.8	-45.5	174.9	0	0	0	0	0	112.6	W127 D128 Q130 Q134 R135 R136	W127-A132 HydrophobicContact CD2-CB 4.47Å; W127-A132 HydrophobicContact CE3-CB 4.38Å; W127-A132 HydrophobicContact CH2-CB 3.16Å; W127-A132 HydrophobicContact CZ2-CB 3.22Å; W127-A132 HydrophobicContact CZ3-CB 3.77Å; D128-A132 PolarHBondContact O-N 3.44Å; D128-A132 VanDerWaalsContact O-N 3.08Å; Q130-A132 VanDerWaalsContact C-N 3.31Å; A132-Q134 VanDerWaalsContact C-N 3.34Å; A132-Q134 PolarHBondContact O-N 2.73Å; A132-R135 PolarHBondContact O-N 2.77Å; A132-R136 WeakPolarHBondContact O-CB 3.3Å; A132-R136 PolarHBondContact O-N 3.07Å
133	E	76.1	Confident	81.3	Confident	84 Å²	84	106.2 Å²	106.2	39%	0.393	52%	0.523	S	S	.	.	H	α-helix	trans	-64.5	-40.2	178.5	-162.3	-173.7	164.1	0	0	111.8	P129 Q130 R136 R137	P129-E133 PolarHBondContact O-N 2.9Å; P129-E133 VanDerWaalsContact O-N 3.13Å; Q130-E133 PolarHBondContact O-N 2.85Å; E133-R136 PolarHBondContact O-N 3.31Å; E133-R137 WeakPolarHBondContact O-CG 3.03Å; E133-R137 PolarHBondContact O-N 3.02Å; E133-R137 IonicContact OE1-CZ 3.97Å; E133-R137 IonicContact OE1-NE 3.65Å; E133-R137 IonicContact OE1-NH2 2.99Å; E133-R137 PolarHBondContact OE1-NH2 3.4Å
134	Q	76.6	Confident	81.2	Confident	120 Å²	120	105.1 Å²	105.1	56%	0.561	52%	0.523	S	S	*	.	H	α-helix	trans	-61.6	-44.8	173.6	-70.5	178.3	6.8	0	0	111.6	Q130 L131 A132 R136 R137 L138	Q130-Q134 WeakPolarHBondContact O-CG 3.24Å; Q130-Q134 PolarHBondContact O-N 3.48Å; Q130-Q134 VanDerWaalsContact O-N 3.14Å; L131-Q134 PolarHBondContact O-N 3.3Å; A132-Q134 VanDerWaalsContact C-N 3.34Å; A132-Q134 PolarHBondContact O-N 2.73Å; Q134-R136 VanDerWaalsContact C-N 3.32Å; Q134-R136 PolarHBondContact O-N 3.28Å; Q134-R137 PolarHBondContact O-N 3.11Å; Q134-L138 WeakPolarHBondContact O-CG 3.48Å; Q134-L138 PolarHBondContact O-N 2.8Å
135	R	80.4	Confident	81.4	Confident	163 Å²	163	108.7 Å²	108.7	62%	0.615	52%	0.523	S	S	*	.	H	α-helix	trans	-62.3	-40	177.3	-157.9	-177.5	-155.5	178.9	9.1	111.8	L131 A132 L138 K139	L131-R135 WeakPolarHBondContact O-CB 3.25Å; L131-R135 PolarHBondContact O-N 3.1Å; A132-R135 PolarHBondContact O-N 2.77Å; R135-L138 PolarHBondContact O-N 2.95Å; R135-K139 WeakPolarHBondContact O-CB 3.32Å; R135-K139 PolarHBondContact O-N 2.92Å
136	R	78.3	Confident	81.4	Confident	147 Å²	147	110.3 Å²	110.3	56%	0.555	53%	0.53	S	S	*	.	H	α-helix	trans	-62.4	-47.4	175	-167.5	-176.3	76.3	-170.9	-0	111.4	A132 E133 Q134 L138 K139 E140	A132-R136 WeakPolarHBondContact O-CB 3.3Å; A132-R136 PolarHBondContact O-N 3.07Å; E133-R136 PolarHBondContact O-N 3.31Å; Q134-R136 VanDerWaalsContact C-N 3.32Å; Q134-R136 PolarHBondContact O-N 3.28Å; R136-L138 VanDerWaalsContact C-N 3.35Å; R136-L138 PolarHBondContact O-N 3.05Å; R136-K139 PolarHBondContact O-N 3.38Å; R136-E140 WeakPolarHBondContact O-CB 3.26Å; R136-E140 PolarHBondContact O-N 2.93Å
137	R	83.9	Confident	81.5	Confident	141 Å²	141	104.4 Å²	104.4	53%	0.532	51%	0.511	S	S	.	.	H	α-helix	trans	-60.5	-43.3	177.5	-72.2	-179.8	-171.2	-168.2	3.9	111.8	E133 Q134 E140 Q141	E133-R137 WeakPolarHBondContact O-CG 3.03Å; E133-R137 PolarHBondContact O-N 3.02Å; E133-R137 IonicContact OE1-CZ 3.97Å; E133-R137 IonicContact OE1-NE 3.65Å; E133-R137 IonicContact OE1-NH2 2.99Å; E133-R137 PolarHBondContact OE1-NH2 3.4Å; Q134-R137 PolarHBondContact O-N 3.11Å; R137-E140 PolarHBondContact O-N 3.5Å; R137-Q141 WeakPolarHBondContact O-CB 3.36Å; R137-Q141 VanDerWaalsContact O-CG 3.28Å; R137-Q141 WeakPolarHBondContact O-CG 3.21Å; R137-Q141 PolarHBondContact O-N 2.93Å
138	L	84.5	Confident	81.6	Confident	112 Å²	112	104.7 Å²	104.7	59%	0.586	52%	0.523	S	S	*	.	H	α-helix	trans	-63.8	-42.7	176.4	-74.3	170.1	0	0	0	112.1	Q134 R135 R136 Q141 A142	Q134-L138 WeakPolarHBondContact O-CG 3.48Å; Q134-L138 PolarHBondContact O-N 2.8Å; R135-L138 PolarHBondContact O-N 2.95Å; R136-L138 VanDerWaalsContact C-N 3.35Å; R136-L138 PolarHBondContact O-N 3.05Å; L138-Q141 PolarHBondContact O-N 3.2Å; L138-A142 WeakPolarHBondContact O-CB 3.46Å; L138-A142 PolarHBondContact O-N 2.96Å
139	K	85.2	Confident	81.4	Confident	164 Å²	164	102.9 Å²	102.9	71%	0.713	52%	0.517	S	S	*	.	H	α-helix	trans	-65.6	-39.6	177.6	-171.1	178.4	-178.7	-178.6	0	112	R135 R136 A142 A143	R135-K139 WeakPolarHBondContact O-CB 3.32Å; R135-K139 PolarHBondContact O-N 2.92Å; R136-K139 PolarHBondContact O-N 3.38Å; K139-A142 PolarHBondContact O-N 3.42Å; K139-A143 WeakPolarHBondContact O-CB 3.5Å; K139-A143 PolarHBondContact O-N 3.42Å
140	E	85.8	Confident	81.2	Confident	111 Å²	111	101.7 Å²	101.7	52%	0.519	51%	0.508	S	S	.	.	H	α-helix	trans	-65.1	-45	175.5	-175.6	173.3	-164.9	0	0	111.2	R136 R137 A143 L144	R136-E140 WeakPolarHBondContact O-CB 3.26Å; R136-E140 PolarHBondContact O-N 2.93Å; R137-E140 PolarHBondContact O-N 3.5Å; E140-A143 PolarHBondContact O-N 3.22Å; E140-L144 HydrophobicContact CG-CD1 3.99Å; E140-L144 WeakPolarHBondContact O-CD1 3.48Å; E140-L144 PolarHBondContact O-N 3.13Å
141	Q	86.3	Confident	80.7	Confident	113 Å²	113	100.7 Å²	100.7	53%	0.528	50%	0.503	S	S	.	.	H	α-helix	trans	-59	-47.4	174	-75.2	174.8	-11.6	0	0	111.7	R137 L138 A143 L144 E145	R137-Q141 WeakPolarHBondContact O-CB 3.36Å; R137-Q141 VanDerWaalsContact O-CG 3.28Å; R137-Q141 WeakPolarHBondContact O-CG 3.21Å; R137-Q141 PolarHBondContact O-N 2.93Å; L138-Q141 PolarHBondContact O-N 3.2Å; Q141-A143 VanDerWaalsContact C-N 3.34Å; Q141-A143 PolarHBondContact O-N 2.98Å; Q141-L144 PolarHBondContact O-N 2.85Å; Q141-E145 WeakPolarHBondContact O-CG 3.22Å; Q141-E145 PolarHBondContact O-N 3.4Å
142	A	87.4	Confident	80	Confident	46 Å²	46	99 Å²	99	38%	0.38	50%	0.497	S	S	.	.	H	α-helix	trans	-61.6	-40.3	177.2	0	0	0	0	0	112.4	L138 K139 E145 E146	L138-A142 WeakPolarHBondContact O-CB 3.46Å; L138-A142 PolarHBondContact O-N 2.96Å; K139-A142 PolarHBondContact O-N 3.42Å; A142-E145 PolarHBondContact O-N 3.1Å; A142-E146 PolarHBondContact O-N 3.16Å
143	A	87.2	Confident	79.3	Confident	54 Å²	54	104.8 Å²	104.8	45%	0.446	52%	0.523	S	S	.	.	H	α-helix	trans	-66.9	-37.3	177	0	0	0	0	0	112.5	K139 E140 Q141 A147	K139-A143 WeakPolarHBondContact O-CB 3.5Å; K139-A143 PolarHBondContact O-N 3.42Å; E140-A143 PolarHBondContact O-N 3.22Å; Q141-A143 VanDerWaalsContact C-N 3.34Å; Q141-A143 PolarHBondContact O-N 2.98Å; A143-A147 VanDerWaalsContact O-CB 3.29Å; A143-A147 WeakPolarHBondContact O-CB 3.33Å; A143-A147 PolarHBondContact O-N 2.94Å
144	L	84.8	Confident	78.4	Confident	114 Å²	114	108.7 Å²	108.7	60%	0.597	54%	0.538	S	S	*	.	H	α-helix	trans	-65.3	-40.9	172.6	-97.3	126.9	0	0	0	111.7	E140 Q141 A147 A148	E140-L144 HydrophobicContact CG-CD1 3.99Å; E140-L144 WeakPolarHBondContact O-CD1 3.48Å; E140-L144 PolarHBondContact O-N 3.13Å; Q141-L144 PolarHBondContact O-N 2.85Å; L144-A147 PolarHBondContact O-N 2.98Å; L144-A148 VanDerWaalsContact O-CB 3.31Å; L144-A148 WeakPolarHBondContact O-CB 3.39Å; L144-A148 PolarHBondContact O-N 3.04Å
145	E	85.9	Confident	77.6	Confident	139 Å²	139	108.3 Å²	108.3	65%	0.65	54%	0.544	S	S	*	.	H	α-helix	trans	-64.9	-42.4	175.1	-74.1	178.3	-176.7	0	0	112.1	Q141 A142 A148 S149	Q141-E145 WeakPolarHBondContact O-CG 3.22Å; Q141-E145 PolarHBondContact O-N 3.4Å; A142-E145 PolarHBondContact O-N 3.1Å; E145-A148 PolarHBondContact O-N 3.37Å; E145-S149 WeakPolarHBondContact O-CB 3.43Å; E145-S149 PolarHBondContact O-N 3.2Å; E145-S149 PolarHBondContact O-OG 3.02Å
146	E	82.7	Confident	76.5	Confident	138 Å²	138	108.6 Å²	108.6	65%	0.645	55%	0.552	S	S	*	*	H	α-helix	trans	-65.6	-37.9	173.6	-77.3	-171.3	167.6	0	0	112.6	A142 A148 S149 T150	A142-E146 PolarHBondContact O-N 3.16Å; E146-A148 VanDerWaalsContact C-N 3.34Å; E146-S149 WeakPolarHBondContact CA-OG 3.32Å; E146-S149 PolarHBondContact O-N 2.94Å; E146-S149 PolarHBondContact O-OG 2.88Å; E146-T150 WeakPolarHBondContact O-CB 3.36Å; E146-T150 WeakPolarHBondContact O-CG2 3.34Å; E146-T150 PolarHBondContact O-N 3.34Å; E146-T150 PolarHBondContact O-OG1 3.32Å
147	A	82.3	Confident	75.7	Confident	49 Å²	49	105.4 Å²	105.4	41%	0.405	56%	0.558	S	S	.	*	H	α-helix	trans	-67.3	-37.8	174.8	0	0	0	0	0	111.6	A143 L144 T150 Q151	A143-A147 VanDerWaalsContact O-CB 3.29Å; A143-A147 WeakPolarHBondContact O-CB 3.33Å; A143-A147 PolarHBondContact O-N 2.94Å; L144-A147 PolarHBondContact O-N 2.98Å; A147-T150 WeakPolarHBondContact CA-OG1 3.27Å; A147-T150 PolarHBondContact O-OG1 3.14Å; A147-T150 VanDerWaalsContact O-OG1 3.09Å; A147-Q151 WeakPolarHBondContact O-CG 3.31Å; A147-Q151 PolarHBondContact O-N 3.46Å; A147-Q151 VanDerWaalsContact O-N 3.11Å
148	A	81.7	Confident	74.4	Confident	50 Å²	50	103.8 Å²	103.8	41%	0.413	57%	0.567	S	S	.	*	H	α-helix	trans	-69.1	-43.5	174.9	0	0	0	0	0	111.4	L144 E145 E146 Q151 T152	L144-A148 VanDerWaalsContact O-CB 3.31Å; L144-A148 WeakPolarHBondContact O-CB 3.39Å; L144-A148 PolarHBondContact O-N 3.04Å; E145-A148 PolarHBondContact O-N 3.37Å; E146-A148 VanDerWaalsContact C-N 3.34Å; A148-Q151 PolarHBondContact O-N 3.46Å; A148-T152 PolarHBondContact O-N 3.07Å; A148-T152 PolarHBondContact O-OG1 3.38Å
149	S	75.9	Confident	73.7	Confident	47 Å²	47	103.7 Å²	103.7	33%	0.329	57%	0.573	S	S	.	*	H	α-helix	trans	-64.8	-41.5	178.2	70	0	0	0	0	111.7	E145 E146 Q151 T152 E153	E145-S149 WeakPolarHBondContact O-CB 3.43Å; E145-S149 PolarHBondContact O-N 3.2Å; E145-S149 PolarHBondContact O-OG 3.02Å; E146-S149 WeakPolarHBondContact CA-OG 3.32Å; E146-S149 PolarHBondContact O-N 2.94Å; E146-S149 PolarHBondContact O-OG 2.88Å; S149-Q151 VanDerWaalsContact C-N 3.29Å; S149-Q151 PolarHBondContact O-N 3.03Å; S149-T152 WeakPolarHBondContact CA-OG1 3.46Å; S149-T152 PolarHBondContact O-N 2.9Å; S149-T152 PolarHBondContact O-OG1 3.09Å; S149-E153 WeakPolarHBondContact O-CB 3.47Å; S149-E153 VanDerWaalsContact O-CG 3.28Å; S149-E153 WeakPolarHBondContact O-CG 3.41Å; S149-E153 PolarHBondContact O-N 3.25Å
150	T	71.8	Confident	72.9	Confident	63 Å²	63	104.3 Å²	104.3	39%	0.387	58%	0.584	S	S	.	*	H	α-helix	trans	-68.9	-24.6	174.5	50.8	0	0	0	0	113.2	E146 A147 K154	E146-T150 WeakPolarHBondContact O-CB 3.36Å; E146-T150 WeakPolarHBondContact O-CG2 3.34Å; E146-T150 PolarHBondContact O-N 3.34Å; E146-T150 PolarHBondContact O-OG1 3.32Å; A147-T150 WeakPolarHBondContact CA-OG1 3.27Å; A147-T150 PolarHBondContact O-OG1 3.14Å; A147-T150 VanDerWaalsContact O-OG1 3.09Å; T150-K154 WeakPolarHBondContact O-CD 3.36Å; T150-K154 VanDerWaalsContact O-CG 3.24Å; T150-K154 WeakPolarHBondContact O-CG 3.25Å; T150-K154 PolarHBondContact O-N 2.97Å
151	Q	67.3	Low	72.3	Confident	138 Å²	138	103.5 Å²	103.5	65%	0.645	59%	0.591	S	S	*	*	H	α-helix	trans	-76.2	-39.7	169.5	-80.8	-177.4	11.1	0	0	112.7	A147 A148 S149 K154 T155	A147-Q151 WeakPolarHBondContact O-CG 3.31Å; A147-Q151 PolarHBondContact O-N 3.46Å; A147-Q151 VanDerWaalsContact O-N 3.11Å; A148-Q151 PolarHBondContact O-N 3.46Å; S149-Q151 VanDerWaalsContact C-N 3.29Å; S149-Q151 PolarHBondContact O-N 3.03Å; Q151-K154 PolarHBondContact O-N 3.38Å; Q151-T155 PolarHBondContact O-N 3.4Å; Q151-T155 PolarHBondContact O-OG1 3.2Å
152	T	62.3	Low	71.8	Confident	74 Å²	74	102.6 Å²	102.6	45%	0.454	59%	0.59	S	S	.	*	H	α-helix	trans	-70.7	-36.7	176.6	51.9	0	0	0	0	112.3	A148 S149 K154 T155 Q156	A148-T152 PolarHBondContact O-N 3.07Å; A148-T152 PolarHBondContact O-OG1 3.38Å; S149-T152 WeakPolarHBondContact CA-OG1 3.46Å; S149-T152 PolarHBondContact O-N 2.9Å; S149-T152 PolarHBondContact O-OG1 3.09Å; T152-K154 VanDerWaalsContact C-N 3.34Å; T152-K154 PolarHBondContact O-N 3.33Å; T152-T155 WeakPolarHBondContact CA-OG1 3.46Å; T152-T155 PolarHBondContact O-N 2.99Å; T152-T155 VanDerWaalsContact O-N 3.12Å; T152-T155 PolarHBondContact O-OG1 2.95Å; T152-Q156 WeakPolarHBondContact O-CG 3.31Å; T152-Q156 PolarHBondContact O-N 3.31Å; T152-Q156 VanDerWaalsContact O-N 3.07Å
153	E	59.3	Low	71.2	Confident	133 Å²	133	107.5 Å²	107.5	62%	0.621	60%	0.599	S	S	*	*	H	α-helix	trans	-63.5	-37.8	174.3	-76.5	179.5	179.2	0	0	112.3	S149 T155 Q156	S149-E153 WeakPolarHBondContact O-CB 3.47Å; S149-E153 VanDerWaalsContact O-CG 3.28Å; S149-E153 WeakPolarHBondContact O-CG 3.41Å; S149-E153 PolarHBondContact O-N 3.25Å; E153-T155 PolarHBondContact O-N 2.85Å; E153-Q156 PolarHBondContact O-N 2.95Å
154	K	57.8	Low	70.5	Confident	167 Å²	167	113.5 Å²	113.5	73%	0.726	61%	0.61	S	S	*	*	H	α-helix	trans	-66.4	-23.7	173.9	-75.1	172.7	-172.3	175.2	0	113.5	T150 Q151 T152	T150-K154 WeakPolarHBondContact O-CD 3.36Å; T150-K154 VanDerWaalsContact O-CG 3.24Å; T150-K154 WeakPolarHBondContact O-CG 3.25Å; T150-K154 PolarHBondContact O-N 2.97Å; Q151-K154 PolarHBondContact O-N 3.38Å; T152-K154 VanDerWaalsContact C-N 3.34Å; T152-K154 PolarHBondContact O-N 3.33Å
155	T	58.1	Low	70	Confident	111 Å²	111	113.1 Å²	113.1	68%	0.681	61%	0.609	S	S	*	*	H	α-helix	trans	-93.5	-20.1	179.9	30.9	0	0	0	0	113.3	Q151 T152 E153	Q151-T155 PolarHBondContact O-N 3.4Å; Q151-T155 PolarHBondContact O-OG1 3.2Å; T152-T155 WeakPolarHBondContact CA-OG1 3.46Å; T152-T155 PolarHBondContact O-N 2.99Å; T152-T155 VanDerWaalsContact O-N 3.12Å; T152-T155 PolarHBondContact O-OG1 2.95Å; E153-T155 PolarHBondContact O-N 2.85Å
156	Q	57.8	Low	69.6	Low	169 Å²	169	113 Å²	113	79%	0.79	61%	0.606	S	S	*	*	H	α-helix	trans	-93.6	-3.3	-174.5	-75.9	-171.8	-8.9	0	0	116	T152 E153	T152-Q156 WeakPolarHBondContact O-CG 3.31Å; T152-Q156 PolarHBondContact O-N 3.31Å; T152-Q156 VanDerWaalsContact O-N 3.07Å; E153-Q156 PolarHBondContact O-N 2.95Å
157	A	61.1	Low	69.5	Low	81 Å²	81	110.3 Å²	110.3	67%	0.669	59%	0.591	S	S	*	*			trans	-120.9	48	-174.6	0	0	0	0	0	114.3
158	C	57.1	Low	69.2	Low	106 Å²	106	110.1 Å²	110.1	72%	0.716	59%	0.587	S	S	*	*			trans	-113.8	106.6	163.8	-67.1	0	0	0	0	108.5	N160	C158-N160 PolarHBondContact O-N 3.34Å
159	P	70.1	Confident	68.8	Low	111 Å²	111	115 Å²	115	72%	0.721	60%	0.6	S	S	*	*			trans	-58.1	131.1	171.5	22.5	-30.4	0	0	0	109.4	S161	P159-S161 PolarHBondContact O-N 3.12Å
160	N	67.8	Low	68.6	Low	176 Å²	176	119.3 Å²	119.3	94%	0.941	62%	0.619	S	S	*	*	S	Bend	trans	-59.8	-10.8	-175.2	-168.8	15.7	0	0	0	113.9	C158	C158-N160 PolarHBondContact O-N 3.34Å
161	S	73.3	Confident	68.4	Low	95 Å²	95	121.1 Å²	121.1	66%	0.664	63%	0.625	S	S	*	*	S	Bend	trans	-141.4	134	170.5	60.8	0	0	0	0	109.6	P159 Y163	P159-S161 PolarHBondContact O-N 3.12Å; S161-Y163 PolarHBondContact O-N 3.47Å
162	N	76.3	Confident	68.4	Low	94 Å²	94	115.6 Å²	115.6	50%	0.503	61%	0.606	S	S	.	*			trans	-78.4	113.1	172.8	-169.3	-24.8	0	0	0	107.9	R164 D165	N162-R164 PolarHBondContact O-N 3.22Å; N162-R164 WeakPolarHBondContact OD1-CB 3.38Å; N162-R164 VanDerWaalsContact OD1-CG 3.26Å; N162-R164 WeakPolarHBondContact OD1-CG 3.37Å; N162-R164 PolarHBondContact OD1-N 3.49Å; N162-R164 VanDerWaalsContact OD1-N 3.13Å; N162-D165 WeakPolarHBondContact O-CB 3.34Å; N162-D165 PolarHBondContact O-N 3.47Å
163	Y	75.1	Confident	68.5	Low	149 Å²	149	117 Å²	117	58%	0.584	61%	0.614	S	S	*	*	H	α-helix	trans	-56	-22.2	-179.7	-171	-106.3	0	0	0	113.1	S161 D165 K166 Y167	S161-Y163 PolarHBondContact O-N 3.47Å; Y163-D165 PolarHBondContact O-N 3.17Å; Y163-K166 HydrophobicContact CD2-CD 4.46Å; Y163-K166 HydrophobicContact CE2-CD 3.99Å; Y163-K166 WeakPolarHBondContact O-CB 3.37Å; Y163-K166 PolarHBondContact O-N 2.61Å; Y163-Y167 HydrophobicContact CD1-CD2 4.41Å; Y163-Y167 HydrophobicContact CD1-CE2 4.16Å; Y163-Y167 HydrophobicContact CE1-CD2 4.07Å; Y163-Y167 AromaticContact CE1-CE2 3.44Å; Y163-Y167 HydrophobicContact CE1-CE2 3.44Å; Y163-Y167 VanDerWaalsContact CE1-CE2 3.44Å; Y163-Y167 HydrophobicContact CE2-CE2 4.2Å; Y163-Y167 AromaticContact CZ-CE2 3.47Å; Y163-Y167 VanDerWaalsContact CZ-CE2 3.47Å; Y163-Y167 WeakPolarHBondContact OH-CE2 3.25Å; Y163-Y167 PolarHBondContact OH-OH 3.23Å; Y163-Y167 VanDerWaalsContact OH-OH 3.09Å
164	R	71.4	Confident	68.6	Low	180 Å²	180	114.7 Å²	114.7	68%	0.679	61%	0.613	S	S	*	*	H	α-helix	trans	-59	-31.9	171.8	-67	-89.5	177.2	94.2	-4.6	112.4	N162 K166 Y167 S168	N162-R164 PolarHBondContact O-N 3.22Å; N162-R164 WeakPolarHBondContact OD1-CB 3.38Å; N162-R164 VanDerWaalsContact OD1-CG 3.26Å; N162-R164 WeakPolarHBondContact OD1-CG 3.37Å; N162-R164 PolarHBondContact OD1-N 3.49Å; N162-R164 VanDerWaalsContact OD1-N 3.13Å; R164-K166 VanDerWaalsContact C-N 3.31Å; R164-K166 PolarHBondContact O-N 3.24Å; R164-Y167 CarbonylContact O-C 3.15Å; R164-Y167 PolarHBondContact O-N 3.06Å; R164-Y167 VanDerWaalsContact O-N 3.14Å; R164-S168 PolarHBondContact O-N 2.89Å; R164-S168 VanDerWaalsContact O-N 3.12Å
165	D	74.6	Confident	68.7	Low	105 Å²	105	109.7 Å²	109.7	56%	0.561	60%	0.603	S	S	*	*	H	α-helix	trans	-68.1	-32	-177.6	-64.7	-22.8	0	0	0	112.1	N162 Y163 Y167 S168	N162-D165 WeakPolarHBondContact O-CB 3.34Å; N162-D165 PolarHBondContact O-N 3.47Å; Y163-D165 PolarHBondContact O-N 3.17Å; D165-Y167 PolarHBondContact O-N 3.47Å; D165-S168 VanDerWaalsContact O-CB 3.26Å; D165-S168 WeakPolarHBondContact O-CB 3.38Å; D165-S168 PolarHBondContact O-N 3.26Å; D165-S168 VanDerWaalsContact O-N 3.16Å; D165-S168 PolarHBondContact O-OG 2.85Å
166	K	79	Confident	68.8	Low	136 Å²	136	106.9 Å²	106.9	59%	0.591	59%	0.591	S	S	*	*	H	α-helix	trans	-60.7	-29.5	174.1	-171.9	-179.6	177.9	-172.5	0	112.6	Y163 R164 H169	Y163-K166 HydrophobicContact CD2-CD 4.46Å; Y163-K166 HydrophobicContact CE2-CD 3.99Å; Y163-K166 WeakPolarHBondContact O-CB 3.37Å; Y163-K166 PolarHBondContact O-N 2.61Å; R164-K166 VanDerWaalsContact C-N 3.31Å; R164-K166 PolarHBondContact O-N 3.24Å; K166-H169 PolarHBondContact O-CE1 3.33Å; K166-H169 PolarHBondContact O-ND1 3.38Å
167	Y	79.6	Confident	68.9	Low	82 Å²	82	106.4 Å²	106.4	32%	0.322	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	trans	-109.4	13	179.1	-61.2	-85.1	0	0	0	112.9	Y163 R164 D165 H169 L170 I171	Y163-Y167 HydrophobicContact CD1-CD2 4.41Å; Y163-Y167 HydrophobicContact CD1-CE2 4.16Å; Y163-Y167 HydrophobicContact CE1-CD2 4.07Å; Y163-Y167 AromaticContact CE1-CE2 3.44Å; Y163-Y167 HydrophobicContact CE1-CE2 3.44Å; Y163-Y167 VanDerWaalsContact CE1-CE2 3.44Å; Y163-Y167 HydrophobicContact CE2-CE2 4.2Å; Y163-Y167 AromaticContact CZ-CE2 3.47Å; Y163-Y167 VanDerWaalsContact CZ-CE2 3.47Å; Y163-Y167 WeakPolarHBondContact OH-CE2 3.25Å; Y163-Y167 PolarHBondContact OH-OH 3.23Å; Y163-Y167 VanDerWaalsContact OH-OH 3.09Å; R164-Y167 CarbonylContact O-C 3.15Å; R164-Y167 PolarHBondContact O-N 3.06Å; R164-Y167 VanDerWaalsContact O-N 3.14Å; D165-Y167 PolarHBondContact O-N 3.47Å; Y167-H169 PolarHBondContact O-N 3.42Å; Y167-L170 HydrophobicContact CD1-CD2 4.45Å; Y167-L170 WeakPolarHBondContact O-CA 3.3Å; Y167-L170 WeakPolarHBondContact O-CB 3.49Å; Y167-L170 PolarHBondContact O-N 2.94Å; Y167-I171 WeakPolarHBondContact O-CG1 3.49Å; Y167-I171 PolarHBondContact O-N 3.47Å
168	S	76.3	Confident	68.8	Low	46 Å²	46	108.2 Å²	108.2	32%	0.322	59%	0.585	S	S	.	*	H	α-helix	trans	-53.8	-37.7	178.5	57.2	0	0	0	0	113	R164 D165 L170 G172	R164-S168 PolarHBondContact O-N 2.89Å; R164-S168 VanDerWaalsContact O-N 3.12Å; D165-S168 VanDerWaalsContact O-CB 3.26Å; D165-S168 WeakPolarHBondContact O-CB 3.38Å; D165-S168 PolarHBondContact O-N 3.26Å; D165-S168 VanDerWaalsContact O-N 3.16Å; D165-S168 PolarHBondContact O-OG 2.85Å; S168-L170 VanDerWaalsContact C-N 3.29Å; S168-L170 PolarHBondContact O-N 3.37Å; S168-G172 PolarHBondContact O-N 2.95Å
169	H	72.9	Confident	68.8	Low	151 Å²	151	105.7 Å²	105.7	70%	0.699	57%	0.571	S	S	*	*	H	α-helix	trans	-63.7	-25.1	172.9	70.4	-39.4	0	0	0	115.2	K166 Y167	K166-H169 PolarHBondContact O-CE1 3.33Å; K166-H169 PolarHBondContact O-ND1 3.38Å; Y167-H169 PolarHBondContact O-N 3.42Å
170	L	71.5	Confident	68.2	Low	139 Å²	139	103.2 Å²	103.2	73%	0.728	56%	0.56	S	S	*	*	H	α-helix	trans	-96	-33.1	-179.4	-154.6	76.8	0	0	0	111.5	Y167 S168	Y167-L170 HydrophobicContact CD1-CD2 4.45Å; Y167-L170 WeakPolarHBondContact O-CA 3.3Å; Y167-L170 WeakPolarHBondContact O-CB 3.49Å; Y167-L170 PolarHBondContact O-N 2.94Å; S168-L170 VanDerWaalsContact C-N 3.29Å; S168-L170 PolarHBondContact O-N 3.37Å
171	I	68.9	Low	67.8	Low	100 Å²	100	101.8 Å²	101.8	51%	0.513	55%	0.548	S	S	.	.	H	α-helix	trans	-86.1	-25.8	-177.9	-61.7	171.1	0	0	0	111.4	Y167	Y167-I171 WeakPolarHBondContact O-CG1 3.49Å; Y167-I171 PolarHBondContact O-N 3.47Å
172	G	66.4	Low	67.1	Low	23 Å²	23	103 Å²	103	24%	0.237	55%	0.551	C	S	.	*			trans	72.7	102.5	179.4	0	0	0	0	0	112.3	S168 S174 A175 A176	S168-G172 PolarHBondContact O-N 2.95Å; G172-S174 PolarHBondContact O-N 3.32Å; G172-A175 PolarHBondContact O-N 3.42Å; G172-A176 PolarHBondContact O-N 3.27Å
173	T	64.9	Low	66.1	Low	102 Å²	102	105.6 Å²	105.6	63%	0.626	56%	0.564	S	S	*	*	H	α-helix	trans	-67.4	-24	179.2	51.4	0	0	0	0	113.4
174	S	60	Low	65.3	Low	85 Å²	85	105.4 Å²	105.4	59%	0.594	57%	0.569	S	S	*	*	H	α-helix	trans	-78.7	-46.1	176.3	48.6	0	0	0	0	112.4	G172 A176 K177 D178	G172-S174 PolarHBondContact O-N 3.32Å; S174-A176 VanDerWaalsContact C-N 3.27Å; S174-A176 PolarHBondContact O-N 3.13Å; S174-K177 PolarHBondContact O-N 2.82Å; S174-K177 VanDerWaalsContact O-N 3.16Å; S174-D178 PolarHBondContact O-N 2.61Å
175	A	60	Low	64.8	Low	62 Å²	62	101 Å²	101	51%	0.512	57%	0.571	S	S	.	*	H	α-helix	trans	-61.9	-34.9	179.6	0	0	0	0	0	112.4	G172 A179	G172-A175 PolarHBondContact O-N 3.42Å; A175-A179 VanDerWaalsContact O-CB 3.23Å; A175-A179 WeakPolarHBondContact O-CB 3.37Å; A175-A179 PolarHBondContact O-N 2.94Å
176	A	61.1	Low	64.2	Low	53 Å²	53	102.1 Å²	102.1	44%	0.438	58%	0.577	S	S	.	*	H	α-helix	trans	-68.5	-33.4	176.4	0	0	0	0	0	113.8	G172 S174 A180	G172-A176 PolarHBondContact O-N 3.27Å; S174-A176 VanDerWaalsContact C-N 3.27Å; S174-A176 PolarHBondContact O-N 3.13Å; A176-A180 WeakPolarHBondContact O-CB 3.39Å; A176-A180 PolarHBondContact O-N 2.74Å
177	K	59.1	Low	63.2	Low	159 Å²	159	107.4 Å²	107.4	69%	0.691	59%	0.593	S	S	*	*	H	α-helix	trans	-70.9	-40.8	177.5	-81	-178.2	175.9	179.1	0	111.9	S174 A180 H181	S174-K177 PolarHBondContact O-N 2.82Å; S174-K177 VanDerWaalsContact O-N 3.16Å; K177-A180 PolarHBondContact O-N 2.93Å; K177-H181 PolarHBondContact O-N 3.36Å
178	D	59.5	Low	62.1	Low	119 Å²	119	106.1 Å²	106.1	64%	0.636	60%	0.596	S	S	*	*	H	α-helix	trans	-70.2	-39.3	176.1	-70.7	-19.4	0	0	0	111.5	S174 H181 T182	S174-D178 PolarHBondContact O-N 2.61Å; D178-H181 PolarHBondContact O-N 2.94Å; D178-T182 PolarHBondContact O-N 3.38Å; D178-T182 PolarHBondContact O-OG1 3.13Å
179	A	57.8	Low	61.3	Low	52 Å²	52	114.7 Å²	114.7	43%	0.43	62%	0.623	S	S	.	*	H	α-helix	trans	-67.3	-34.6	174.5	0	0	0	0	0	112.8	A175 T182 L183	A175-A179 VanDerWaalsContact O-CB 3.23Å; A175-A179 WeakPolarHBondContact O-CB 3.37Å; A175-A179 PolarHBondContact O-N 2.94Å; A179-T182 WeakPolarHBondContact O-CA 3.37Å; A179-T182 WeakPolarHBondContact O-CB 3.42Å; A179-T182 PolarHBondContact O-N 3.12Å; A179-L183 PolarHBondContact O-N 2.85Å; A179-L183 VanDerWaalsContact O-N 3.15Å
180	A	57	Low	60.9	Low	60 Å²	60	111.2 Å²	111.2	50%	0.496	63%	0.628	S	S	.	*	H	α-helix	trans	-65.2	-37	176.5	0	0	0	0	0	112.5	A176 K177 T182 L183 E184	A176-A180 WeakPolarHBondContact O-CB 3.39Å; A176-A180 PolarHBondContact O-N 2.74Å; K177-A180 PolarHBondContact O-N 2.93Å; A180-T182 PolarHBondContact O-N 3.07Å; A180-L183 PolarHBondContact O-N 2.94Å; A180-E184 PolarHBondContact O-N 3.48Å
181	H	58.9	Low	60.7	Low	146 Å²	146	108.8 Å²	108.8	68%	0.676	62%	0.622	S	S	*	*	H	α-helix	trans	-63.8	-26.5	171.2	-111.2	-57.3	0	0	0	112.8	K177 D178	K177-H181 PolarHBondContact O-N 3.36Å; D178-H181 PolarHBondContact O-N 2.94Å
182	T	58.2	Low	60.6	Low	121 Å²	121	107.9 Å²	107.9	74%	0.742	62%	0.621	S	S	*	*	H	α-helix	trans	-81.7	-19.7	178.3	-39.4	0	0	0	0	112.2	D178 A179 A180	D178-T182 PolarHBondContact O-N 3.38Å; D178-T182 PolarHBondContact O-OG1 3.13Å; A179-T182 WeakPolarHBondContact O-CA 3.37Å; A179-T182 WeakPolarHBondContact O-CB 3.42Å; A179-T182 PolarHBondContact O-N 3.12Å; A180-T182 PolarHBondContact O-N 3.07Å
183	L	57	Low	61	Low	147 Å²	147	110.4 Å²	110.4	77%	0.77	63%	0.632	S	S	*	*			trans	-104.6	9.7	-176.8	-122.8	149.7	0	0	0	113.2	A179 A180 A185	A179-L183 PolarHBondContact O-N 2.85Å; A179-L183 VanDerWaalsContact O-N 3.15Å; A180-L183 PolarHBondContact O-N 2.94Å; L183-A185 PolarHBondContact O-N 3.44Å
184	E	57.7	Low	61.2	Low	145 Å²	145	109.8 Å²	109.8	68%	0.678	63%	0.628	S	S	*	*	S	Bend	trans	-64.4	101.5	159	-84.3	-167.4	144.7	0	0	108	A180 N186	A180-E184 PolarHBondContact O-N 3.48Å; E184-N186 PolarHBondContact O-N 3.43Å; E184-N186 VanDerWaalsContact O-N 3.16Å
185	A	60.6	Low	62	Low	87 Å²	87	110.1 Å²	110.1	72%	0.719	64%	0.637	S	S	*	*			trans	-52.4	125.6	170.8	0	0	0	0	0	108.7	L183 R187	L183-A185 PolarHBondContact O-N 3.44Å; A185-R187 VanDerWaalsContact C-N 3.33Å; A185-R187 PolarHBondContact O-N 2.93Å
186	N	61.8	Low	62.7	Low	129 Å²	129	113.1 Å²	113.1	69%	0.69	64%	0.644	S	S	*	*			trans	-51.1	94.8	175.2	-94.2	-39.9	0	0	0	109.9	E184 S188 Y189	E184-N186 PolarHBondContact O-N 3.43Å; E184-N186 VanDerWaalsContact O-N 3.16Å; N186-S188 WeakPolarHBondContact CB-OG 3.29Å; N186-S188 VanDerWaalsContact CG-OG 3.31Å; N186-S188 PolarHBondContact O-N 2.95Å; N186-S188 PolarHBondContact OD1-OG 2.89Å; N186-Y189 PolarHBondContact O-N 3.48Å
187	R	57.3	Low	63.5	Low	248 Å²	248	115.3 Å²	115.3	94%	0.936	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	-7.1	164.6	-75.7	-175.3	165.7	-175.4	-2.9	112	A185	A185-R187 VanDerWaalsContact C-N 3.33Å; A185-R187 PolarHBondContact O-N 2.93Å
188	S	57.4	Low	64.5	Low	55 Å²	55	120.2 Å²	120.2	39%	0.385	66%	0.658	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.8	-4.8	-177	52.5	0	0	0	0	114.4	N186 G190 C191	N186-S188 WeakPolarHBondContact CB-OG 3.29Å; N186-S188 VanDerWaalsContact CG-OG 3.31Å; N186-S188 PolarHBondContact O-N 2.95Å; N186-S188 PolarHBondContact OD1-OG 2.89Å; S188-G190 PolarHBondContact O-N 3.26Å; S188-C191 PolarHBondContact O-N 3.43Å
189	Y	59.3	Low	65.4	Low	226 Å²	226	118.2 Å²	118.2	89%	0.886	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	104.6	174.8	-166.7	-99.1	0	0	0	109.5	N186	N186-Y189 PolarHBondContact O-N 3.48Å
190	G	65.6	Low	66.6	Low	78 Å²	78	120.8 Å²	120.8	80%	0.804	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	98.2	-7.5	-175.1	0	0	0	0	0	115.7	S188	S188-G190 PolarHBondContact O-N 3.26Å
191	C	66.9	Low	67.8	Low	88 Å²	88	123 Å²	123	60%	0.595	65%	0.653	S	S	*	*			trans	-116.9	102.1	178.9	-79.5	0	0	0	0	110.9	S188	S188-C191 PolarHBondContact O-N 3.43Å
192	V	67	Low	69.1	Low	81 Å²	81	118.9 Å²	118.9	49%	0.491	64%	0.641	S	S	.	*			trans	-67.8	126.7	173.5	-176.7	0	0	0	0	109	N196 K197	V192-N196 HydrophobicContact CG1-CB 3.93Å; V192-K197 HydrophobicContact CB-CG 4.31Å; V192-K197 HydrophobicContact CG1-CG 4.04Å; V192-K197 WeakPolarHBondContact O-CE 3.44Å
193	P	73.5	Confident	70.3	Confident	75 Å²	75	119.8 Å²	119.8	49%	0.487	64%	0.64	S	S	.	*			trans	-56.8	141.8	174.3	-25.6	34.8	0	0	0	111.7	A195 N196 K197	P193-A195 PolarHBondContact O-N 3.44Å; P193-A195 VanDerWaalsContact O-N 3.16Å; P193-N196 PolarHBondContact O-N 3.32Å; P193-K197 PolarHBondContact O-N 2.92Å
194	V	70.3	Confident	71.7	Confident	89 Å²	89	119.7 Å²	119.7	54%	0.539	64%	0.635	S	S	.	*	G	3₁₀ helix	trans	-56.2	-34.1	-177.1	177.9	0	0	0	0	112.3	N196 K197	V194-N196 PolarHBondContact O-N 3.21Å; V194-K197 PolarHBondContact O-N 3.41Å; V194-K197 VanDerWaalsContact O-N 3.08Å
195	A	75.4	Confident	73.2	Confident	93 Å²	93	118.1 Å²	118.1	77%	0.769	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-59.8	-25.7	175.9	0	0	0	0	0	113.8	P193	P193-A195 PolarHBondContact O-N 3.44Å; P193-A195 VanDerWaalsContact O-N 3.16Å
196	N	76.3	Confident	74.6	Confident	124 Å²	124	115 Å²	115	66%	0.663	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-101.8	-0.5	-179.6	-65	-1	0	0	0	112.3	V192 P193 V194	V192-N196 HydrophobicContact CG1-CB 3.93Å; P193-N196 PolarHBondContact O-N 3.32Å; V194-N196 PolarHBondContact O-N 3.21Å
197	K	76.1	Confident	75.9	Confident	100 Å²	100	113 Å²	113	44%	0.435	59%	0.59	S	S	.	*			trans	-82.8	140.8	176.9	-65.4	-172.8	-170.9	-176.6	0	109.8	V192 P193 V194 D199	V192-K197 HydrophobicContact CB-CG 4.31Å; V192-K197 HydrophobicContact CG1-CG 4.04Å; V192-K197 WeakPolarHBondContact O-CE 3.44Å; P193-K197 PolarHBondContact O-N 2.92Å; V194-K197 PolarHBondContact O-N 3.41Å; V194-K197 VanDerWaalsContact O-N 3.08Å; K197-D199 VanDerWaalsContact C-N 3.26Å; K197-D199 PolarHBondContact O-N 3.39Å
198	R	80.1	Confident	77.5	Confident	261 Å²	261	105.8 Å²	105.8	99%	0.985	57%	0.569	S	S	*	*	S	Bend	trans	-68	-26	175.8	-170.8	173.6	-179.2	164.5	1.1	113
199	D	79.1	Confident	79	Confident	77 Å²	77	106.9 Å²	106.9	41%	0.412	57%	0.569	S	S	.	*			trans	-115.4	114.6	175.7	-163.6	-10.9	0	0	0	109.1	K197 R201	K197-D199 VanDerWaalsContact C-N 3.26Å; K197-D199 PolarHBondContact O-N 3.39Å; D199-R201 VanDerWaalsContact OD1-CB 3.29Å; D199-R201 WeakPolarHBondContact OD1-CB 3.41Å; D199-R201 WeakPolarHBondContact OD1-CG 3.44Å; D199-R201 IonicContact OD1-CZ 3.78Å; D199-R201 PolarHBondContact OD1-N 3.18Å; D199-R201 VanDerWaalsContact OD1-N 3.08Å; D199-R201 IonicContact OD1-NE 2.92Å; D199-R201 PolarHBondContact OD1-NE 3.35Å; D199-R201 IonicContact OD1-NH2 3.76Å; D199-R201 IonicContact OD2-CZ 3.51Å; D199-R201 IonicContact OD2-NE 3.4Å; D199-R201 PolarHBondContact OD2-NE 3.38Å; D199-R201 IonicContact OD2-NH2 2.76Å; D199-R201 PolarHBondContact OD2-NH2 2.89Å
200	T	82.7	Confident	80.4	Confident	106 Å²	106	100.2 Å²	100.2	65%	0.65	55%	0.547	S	S	*	.			trans	-99.4	-1.3	179.6	58.5	0	0	0	0	112.5
201	R	83.2	Confident	81.5	Confident	106 Å²	106	103.7 Å²	103.7	40%	0.4	54%	0.536	S	S	.	.	S	Bend	trans	-69	153	-178.9	-64.4	176.3	-63.8	169.3	4.1	111.1	D199 E205 E209	D199-R201 VanDerWaalsContact OD1-CB 3.29Å; D199-R201 WeakPolarHBondContact OD1-CB 3.41Å; D199-R201 WeakPolarHBondContact OD1-CG 3.44Å; D199-R201 IonicContact OD1-CZ 3.78Å; D199-R201 PolarHBondContact OD1-N 3.18Å; D199-R201 VanDerWaalsContact OD1-N 3.08Å; D199-R201 IonicContact OD1-NE 2.92Å; D199-R201 PolarHBondContact OD1-NE 3.35Å; D199-R201 IonicContact OD1-NH2 3.76Å; D199-R201 IonicContact OD2-CZ 3.51Å; D199-R201 IonicContact OD2-NE 3.4Å; D199-R201 PolarHBondContact OD2-NE 3.38Å; D199-R201 IonicContact OD2-NH2 2.76Å; D199-R201 PolarHBondContact OD2-NH2 2.89Å; R201-E205 HydrophobicContact CB-CB 4.34Å; R201-E209 IonicContact CZ-OE2 3.88Å; R201-E209 IonicContact NH1-OE1 3.21Å; R201-E209 IonicContact NH1-OE2 3.74Å; R201-E209 PolarHBondContact NH1-OE2 2.9Å
202	S	85.1	Confident	82.5	Confident	60 Å²	60	101.8 Å²	101.8	42%	0.42	53%	0.527	S	S	.	.			trans	-66.7	152.1	170.8	-178.9	0	0	0	0	110.6	E204 E205 A206	S202-E204 PolarHBondContact O-N 3.45Å; S202-E205 PolarHBondContact N-OE2 3.39Å; S202-E205 PolarHBondContact O-N 3.38Å; S202-E205 VanDerWaalsContact O-N 3.12Å; S202-A206 PolarHBondContact O-N 2.94Å
203	I	84.6	Confident	83.5	Confident	140 Å²	140	103.8 Å²	103.8	72%	0.718	53%	0.529	S	S	*	.	H	α-helix	trans	-55.7	-37.5	177.1	-62.9	172.8	0	0	0	110.4	M207	I203-M207 HydrophobicContact CG2-CG 4.43Å; I203-M207 WeakPolarHBondContact O-CB 3.32Å; I203-M207 WeakPolarHBondContact O-CG 3.48Å; I203-M207 PolarHBondContact O-N 2.88Å
204	E	86.9	Confident	84	Confident	146 Å²	146	107.1 Å²	107.1	68%	0.682	54%	0.536	S	S	*	.	H	α-helix	trans	-67.9	-40.9	179.7	-63.3	-176	167.1	0	0	112.4	S202 M207 N208	S202-E204 PolarHBondContact O-N 3.45Å; E204-M207 PolarHBondContact O-N 3.45Å; E204-N208 WeakPolarHBondContact O-CB 3.46Å; E204-N208 PolarHBondContact O-N 3.42Å; E204-N208 PolarHBondContact O-ND2 3.21Å
205	E	88.8	Confident	84.6	Confident	111 Å²	111	111.7 Å²	111.7	52%	0.519	54%	0.543	S	S	.	.	H	α-helix	trans	-64.5	-45.1	176.8	-67.6	176.1	150.9	0	0	110.9	R201 S202 M207 N208 E209	R201-E205 HydrophobicContact CB-CB 4.34Å; S202-E205 PolarHBondContact N-OE2 3.39Å; S202-E205 PolarHBondContact O-N 3.38Å; S202-E205 VanDerWaalsContact O-N 3.12Å; E205-M207 VanDerWaalsContact C-N 3.34Å; E205-M207 PolarHBondContact O-N 3.04Å; E205-N208 PolarHBondContact O-N 3.43Å; E205-E209 PolarHBondContact O-N 3.39Å
206	A	89.1	Confident	84.7	Confident	21 Å²	21	112.9 Å²	112.9	17%	0.174	53%	0.533	C	S	.	.	H	α-helix	trans	-61.3	-42.2	176	0	0	0	0	0	111.7	S202 E209 I210	S202-A206 PolarHBondContact O-N 2.94Å; A206-E209 PolarHBondContact O-N 3.45Å; A206-I210 VanDerWaalsContact O-CG1 3.25Å; A206-I210 WeakPolarHBondContact O-CG1 3.28Å; A206-I210 PolarHBondContact O-N 3.39Å
207	M	89.8	Confident	84.8	Confident	89 Å²	89	114.8 Å²	114.8	44%	0.438	54%	0.535	S	S	.	.	H	α-helix	trans	-66.6	-37.8	178.1	-74.9	-68.9	-84.2	0	0	112.5	I203 E204 E205 I210 R211	I203-M207 HydrophobicContact CG2-CG 4.43Å; I203-M207 WeakPolarHBondContact O-CB 3.32Å; I203-M207 WeakPolarHBondContact O-CG 3.48Å; I203-M207 PolarHBondContact O-N 2.88Å; E204-M207 PolarHBondContact O-N 3.45Å; E205-M207 VanDerWaalsContact C-N 3.34Å; E205-M207 PolarHBondContact O-N 3.04Å; M207-I210 PolarHBondContact O-N 3.08Å; M207-R211 VanDerWaalsContact O-CG 3.27Å; M207-R211 WeakPolarHBondContact O-CG 3.36Å; M207-R211 PolarHBondContact O-N 3.49Å
208	N	90.2	Very high	84.7	Confident	95 Å²	95	119.5 Å²	119.5	51%	0.508	55%	0.551	S	S	.	*	H	α-helix	trans	-68.5	-40	176.1	-75.5	-20.8	0	0	0	112	E204 E205 R211 A212	E204-N208 WeakPolarHBondContact O-CB 3.46Å; E204-N208 PolarHBondContact O-N 3.42Å; E204-N208 PolarHBondContact O-ND2 3.21Å; E205-N208 PolarHBondContact O-N 3.43Å; N208-R211 PolarHBondContact O-N 3.17Å; N208-A212 WeakPolarHBondContact O-CB 3.44Å; N208-A212 PolarHBondContact O-N 2.87Å
209	E	88.8	Confident	84.3	Confident	79 Å²	79	113.2 Å²	113.2	37%	0.369	53%	0.532	S	S	.	.	H	α-helix	trans	-66.4	-39.8	175	-164.1	-176.3	137.2	0	0	112	R201 E205 A206 R211 A212 K213	R201-E209 IonicContact CZ-OE2 3.88Å; R201-E209 IonicContact NH1-OE1 3.21Å; R201-E209 IonicContact NH1-OE2 3.74Å; R201-E209 PolarHBondContact NH1-OE2 2.9Å; E205-E209 PolarHBondContact O-N 3.39Å; A206-E209 PolarHBondContact O-N 3.45Å; E209-R211 VanDerWaalsContact C-N 3.31Å; E209-R211 PolarHBondContact O-N 3.04Å; E209-A212 PolarHBondContact O-N 2.97Å; E209-K213 WeakPolarHBondContact O-CB 3.34Å; E209-K213 PolarHBondContact O-N 3.4Å; E209-K213 IonicContact OE1-NZ 2.78Å; E209-K213 PolarHBondContact OE1-NZ 2.74Å
210	I	89	Confident	83.8	Confident	85 Å²	85	115.1 Å²	115.1	44%	0.436	54%	0.542	S	S	.	.	H	α-helix	trans	-60.7	-42.4	173.8	-69	164.9	0	0	0	110.6	A206 M207 K214	A206-I210 VanDerWaalsContact O-CG1 3.25Å; A206-I210 WeakPolarHBondContact O-CG1 3.28Å; A206-I210 PolarHBondContact O-N 3.39Å; M207-I210 PolarHBondContact O-N 3.08Å; I210-K214 HydrophobicContact CG2-CD 4.33Å; I210-K214 WeakPolarHBondContact O-CB 3.41Å; I210-K214 WeakPolarHBondContact O-CG 3.39Å; I210-K214 PolarHBondContact O-N 3.01Å
211	R	89	Confident	82.8	Confident	151 Å²	151	115.3 Å²	115.3	57%	0.57	54%	0.539	S	S	*	.	H	α-helix	trans	-64.3	-42.1	176.1	-73.4	171.9	-174.6	-178.6	1.5	111.6	M207 N208 E209 K214 R215	M207-R211 VanDerWaalsContact O-CG 3.27Å; M207-R211 WeakPolarHBondContact O-CG 3.36Å; M207-R211 PolarHBondContact O-N 3.49Å; N208-R211 PolarHBondContact O-N 3.17Å; E209-R211 VanDerWaalsContact C-N 3.31Å; E209-R211 PolarHBondContact O-N 3.04Å; R211-K214 PolarHBondContact O-N 3.33Å; R211-R215 WeakPolarHBondContact O-CG 3.33Å; R211-R215 PolarHBondContact O-N 3.01Å; R211-R215 VanDerWaalsContact O-N 3.14Å
212	A	87.7	Confident	81.7	Confident	48 Å²	48	114.8 Å²	114.8	40%	0.397	55%	0.548	S	S	.	.	H	α-helix	trans	-65	-48.5	177.9	0	0	0	0	0	111.9	N208 E209 K214 R215 Q216	N208-A212 WeakPolarHBondContact O-CB 3.44Å; N208-A212 PolarHBondContact O-N 2.87Å; E209-A212 PolarHBondContact O-N 2.97Å; A212-K214 VanDerWaalsContact C-N 3.3Å; A212-K214 PolarHBondContact O-N 3.44Å; A212-R215 WeakPolarHBondContact O-CB 3.29Å; A212-R215 PolarHBondContact O-N 2.95Å; A212-Q216 PolarHBondContact O-N 3.47Å
213	K	87.4	Confident	80.3	Confident	124 Å²	124	113.7 Å²	113.7	54%	0.539	55%	0.546	S	S	.	.	H	α-helix	trans	-60.1	-37.7	174.9	-87.6	177.3	172.8	148.8	0	112.7	E209 R215 K217	E209-K213 WeakPolarHBondContact O-CB 3.34Å; E209-K213 PolarHBondContact O-N 3.4Å; E209-K213 IonicContact OE1-NZ 2.78Å; E209-K213 PolarHBondContact OE1-NZ 2.74Å; K213-R215 VanDerWaalsContact C-N 3.3Å; K213-R215 PolarHBondContact O-N 2.93Å; K213-K217 WeakPolarHBondContact O-CB 3.06Å; K213-K217 PolarHBondContact O-N 3.01Å
214	K	85.1	Confident	79	Confident	145 Å²	145	109.8 Å²	109.8	63%	0.63	54%	0.535	S	S	*	.	H	α-helix	trans	-65.6	-30.7	174.7	-80.8	-176.6	178.2	-177	0	113	I210 R211 A212 R218	I210-K214 HydrophobicContact CG2-CD 4.33Å; I210-K214 WeakPolarHBondContact O-CB 3.41Å; I210-K214 WeakPolarHBondContact O-CG 3.39Å; I210-K214 PolarHBondContact O-N 3.01Å; R211-K214 PolarHBondContact O-N 3.33Å; A212-K214 VanDerWaalsContact C-N 3.3Å; A212-K214 PolarHBondContact O-N 3.44Å; K214-R218 WeakPolarHBondContact O-CG 3.49Å; K214-R218 PolarHBondContact O-N 3.3Å
215	R	82.4	Confident	77.4	Confident	184 Å²	184	109.8 Å²	109.8	69%	0.694	54%	0.535	S	S	*	.	H	α-helix	trans	-72.4	-50.1	174.3	-72.1	-179.4	-178.4	-157.7	0.3	111.1	R211 A212 K213 K217 R218 E219	R211-R215 WeakPolarHBondContact O-CG 3.33Å; R211-R215 PolarHBondContact O-N 3.01Å; R211-R215 VanDerWaalsContact O-N 3.14Å; A212-R215 WeakPolarHBondContact O-CB 3.29Å; A212-R215 PolarHBondContact O-N 2.95Å; K213-R215 VanDerWaalsContact C-N 3.3Å; K213-R215 PolarHBondContact O-N 2.93Å; R215-K217 PolarHBondContact O-N 3.26Å; R215-R218 WeakPolarHBondContact O-CB 3.34Å; R215-R218 PolarHBondContact O-N 2.9Å; R215-E219 PolarHBondContact O-N 2.99Å; R215-E219 VanDerWaalsContact O-N 3.12Å
216	Q	78.3	Confident	75.8	Confident	118 Å²	118	109 Å²	109	55%	0.551	54%	0.542	S	S	*	.	H	α-helix	trans	-57.9	-44.8	177.9	-73.7	177.1	-15	0	0	112.3	A212 R218 E219 D220	A212-Q216 PolarHBondContact O-N 3.47Å; Q216-R218 PolarHBondContact O-N 2.92Å; Q216-E219 PolarHBondContact O-N 3.3Å; Q216-D220 PolarHBondContact O-N 3.31Å
217	K	77.8	Confident	74.1	Confident	165 Å²	165	112.5 Å²	112.5	72%	0.717	57%	0.565	S	S	*	*	H	α-helix	trans	-61.4	-30.6	177	-171.2	173.3	-179.7	179.4	0	113.4	K213 R215 D221	K213-K217 WeakPolarHBondContact O-CB 3.06Å; K213-K217 PolarHBondContact O-N 3.01Å; R215-K217 PolarHBondContact O-N 3.26Å; K217-D221 WeakPolarHBondContact O-CB 3.38Å; K217-D221 PolarHBondContact O-N 2.93Å
218	R	73.2	Confident	72.2	Confident	199 Å²	199	112.7 Å²	112.7	75%	0.751	58%	0.575	S	S	*	*	H	α-helix	trans	-72.8	-38.6	174.8	-77.8	-176.7	176.7	-127.4	-0	111.6	K214 R215 Q216 T222	K214-R218 WeakPolarHBondContact O-CG 3.49Å; K214-R218 PolarHBondContact O-N 3.3Å; R215-R218 WeakPolarHBondContact O-CB 3.34Å; R215-R218 PolarHBondContact O-N 2.9Å; Q216-R218 PolarHBondContact O-N 2.92Å; R218-T222 WeakPolarHBondContact O-CG2 3.2Å; R218-T222 PolarHBondContact O-N 2.94Å; R218-T222 VanDerWaalsContact O-N 3.14Å; R218-T222 PolarHBondContact O-OG1 3.45Å
219	E	72.3	Confident	70.1	Confident	128 Å²	128	121 Å²	121	60%	0.598	61%	0.607	S	S	*	*	H	α-helix	trans	-67	-42.8	177.6	-69.2	168.5	-178.5	0	0	111	R215 Q216 D221 T222 G223	R215-E219 PolarHBondContact O-N 2.99Å; R215-E219 VanDerWaalsContact O-N 3.12Å; Q216-E219 PolarHBondContact O-N 3.3Å; E219-D221 PolarHBondContact O-N 2.98Å; E219-T222 WeakPolarHBondContact CA-OG1 3.43Å; E219-T222 PolarHBondContact O-N 3.06Å; E219-T222 PolarHBondContact O-OG1 3.26Å; E219-G223 PolarHBondContact O-N 2.96Å
220	D	68.4	Low	69.1	Low	117 Å²	117	123.1 Å²	123.1	63%	0.626	62%	0.619	S	S	*	*	H	α-helix	trans	-63.6	-39.2	176.2	-67.2	-28.8	0	0	0	112.6	Q216 T222 G223 A224	Q216-D220 PolarHBondContact O-N 3.31Å; D220-T222 VanDerWaalsContact C-N 3.35Å; D220-G223 PolarHBondContact O-N 2.91Å; D220-A224 PolarHBondContact O-N 2.71Å
221	D	61.9	Low	68.1	Low	110 Å²	110	125.1 Å²	125.1	59%	0.588	63%	0.628	S	S	*	*	H	α-helix	trans	-68.4	-34.2	177.6	-155.8	38.4	0	0	0	111.7	K217 E219	K217-D221 WeakPolarHBondContact O-CB 3.38Å; K217-D221 PolarHBondContact O-N 2.93Å; E219-D221 PolarHBondContact O-N 2.98Å
222	T	59.3	Low	66.9	Low	96 Å²	96	123.7 Å²	123.7	59%	0.589	63%	0.632	S	S	*	*	H	α-helix	trans	-74	-27.2	172.8	52.9	0	0	0	0	113.7	R218 E219 D220	R218-T222 WeakPolarHBondContact O-CG2 3.2Å; R218-T222 PolarHBondContact O-N 2.94Å; R218-T222 VanDerWaalsContact O-N 3.14Å; R218-T222 PolarHBondContact O-OG1 3.45Å; E219-T222 WeakPolarHBondContact CA-OG1 3.43Å; E219-T222 PolarHBondContact O-N 3.06Å; E219-T222 PolarHBondContact O-OG1 3.26Å; D220-T222 VanDerWaalsContact C-N 3.35Å
223	G	56.6	Low	65.7	Low	36 Å²	36	128.1 Å²	128.1	37%	0.371	65%	0.645	S	S	.	*	H	α-helix	trans	-78.1	-31.2	175.2	0	0	0	0	0	113.9	E219 D220 S226 S227	E219-G223 PolarHBondContact O-N 2.96Å; D220-G223 PolarHBondContact O-N 2.91Å; G223-S226 PolarHBondContact O-OG 3.06Å; G223-S226 VanDerWaalsContact O-OG 3.09Å; G223-S227 PolarHBondContact O-OG 2.74Å
224	A	56.1	Low	64.3	Low	58 Å²	58	128.4 Å²	128.4	48%	0.479	65%	0.652	S	S	.	*	H	α-helix	trans	-70.9	-30.8	176.1	0	0	0	0	0	112.8	D220 S227	D220-A224 PolarHBondContact O-N 2.71Å; A224-S227 PolarHBondContact O-OG 2.73Å
225	Q	53.3	Low	62.9	Low	147 Å²	147	127.3 Å²	127.3	69%	0.687	65%	0.653	S	S	*	*	H	α-helix	trans	-77.2	-19.8	177.4	-71.4	-172.4	-6.4	0	0	114.1
226	S	55.7	Low	61.6	Low	95 Å²	95	123.2 Å²	123.2	66%	0.664	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	-6.4	-179.1	61.9	0	0	0	0	114.6	G223	G223-S226 PolarHBondContact O-OG 3.06Å; G223-S226 VanDerWaalsContact O-OG 3.09Å
227	S	53.6	Low	60.3	Low	94 Å²	94	123.6 Å²	123.6	66%	0.657	66%	0.658	S	S	*	*	S	Bend	trans	-102.9	8.8	-179.4	49.7	0	0	0	0	114.2	G223 A224	G223-S227 PolarHBondContact O-OG 2.74Å; A224-S227 PolarHBondContact O-OG 2.73Å
228	S	50.7	Low	58.8	Low	92 Å²	92	120.2 Å²	120.2	64%	0.643	65%	0.653	S	S	*	*			trans	-117.8	66.2	174.7	-61.6	0	0	0	0	110.8
229	F	44.6	Very low	57.5	Low	270 Å²	270	113 Å²	113	100%	1.184	64%	0.644	S	S	*	*			trans	-147.1	0	162.5	-91.4	-76.3	0	0	0	110.1

Retrieved 229 of 229 residues in 101.8 ms (Link to these results)

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