A0A087Y916_POEFO Loading...

Scavenger receptor class A, member 5 (putative)

AlphaFold DB , UniProt , Accession A0A087Y916, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 422 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	L	38.2	Very low	33.6	Very low	215 Å²	215	142.1 Å²	142.1	100%	1.126	76%	0.761	S	S	*	*				0	96	0	-85.6	162	0	0	0	109
2	F	24.7	Very low	34	Very low	217 Å²	217	135.7 Å²	135.7	95%	0.952	74%	0.735	S	S	*	*			trans	-145.2	122.1	157.1	-92.6	-74	0	0	0	107.1
3	L	28.6	Very low	34.7	Very low	169 Å²	169	130 Å²	130	89%	0.885	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-91.8	129.5	174.8	-76.6	159.1	0	0	0	108
4	S	30.2	Very low	35.3	Very low	110 Å²	110	129.7 Å²	129.7	77%	0.769	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-85.7	136.3	164.6	-60.6	0	0	0	0	109.3
5	P	32.4	Very low	35.5	Very low	129 Å²	129	133.7 Å²	133.7	84%	0.838	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-79.6	123.5	179.4	31.1	-32.7	0	0	0	110.9
6	V	32.8	Very low	35.7	Very low	129 Å²	129	132.9 Å²	132.9	78%	0.782	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-77.5	128.3	166.4	178.1	0	0	0	0	108.6
7	S	33.8	Very low	36.4	Very low	64 Å²	64	132.4 Å²	132.4	45%	0.448	69%	0.689	S	S	.	*	P	Polyproline II helix	trans	-67.2	133.5	-172.4	-177.4	0	0	0	0	112.7	S9	S7-S9 PolarHBondContact O-N 3.06Å; S7-S9 PolarHBondContact OG-N 2.79Å; S7-S9 PolarHBondContact OG-OG 3.34Å
8	R	37.2	Very low	36.8	Very low	239 Å²	239	129.3 Å²	129.3	90%	0.902	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	-6.1	176	-148.4	176.7	-171.3	-176	2.3	113.5
9	S	37.3	Very low	36.7	Very low	76 Å²	76	128.4 Å²	128.4	53%	0.531	67%	0.671	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.7	-34.9	179.5	58	0	0	0	0	114.4	S7 V11 S12	S7-S9 PolarHBondContact O-N 3.06Å; S7-S9 PolarHBondContact OG-N 2.79Å; S7-S9 PolarHBondContact OG-OG 3.34Å; S9-V11 PolarHBondContact O-N 3.49Å; S9-S12 PolarHBondContact O-N 3.34Å
10	Q	39.3	Very low	37	Very low	121 Å²	121	128.9 Å²	128.9	57%	0.565	67%	0.672	S	S	*	*	H	α-helix	trans	-71.6	-32	-174.6	-72.9	179.1	-51.6	0	0	113.1	S12 S13 Q14	Q10-S12 PolarHBondContact O-N 3.36Å; Q10-S13 PolarHBondContact O-OG 3.36Å; Q10-Q14 PolarHBondContact O-N 3.33Å
11	V	35.7	Very low	37.4	Very low	94 Å²	94	127.7 Å²	127.7	57%	0.57	66%	0.663	S	S	*	*	H	α-helix	trans	-69.3	-22.4	178.7	-175.3	0	0	0	0	112.1	S9 R15	S9-V11 PolarHBondContact O-N 3.49Å; V11-R15 PolarHBondContact O-N 3.49Å
12	S	38.5	Very low	37.4	Very low	65 Å²	65	121.5 Å²	121.5	46%	0.455	63%	0.631	S	S	.	*	H	α-helix	trans	-79.3	-44	177.3	-163.4	0	0	0	0	112.4	S9 Q10 R15 Q16	S9-S12 PolarHBondContact O-N 3.34Å; Q10-S12 PolarHBondContact O-N 3.36Å; S12-R15 PolarHBondContact O-N 3.41Å; S12-Q16 PolarHBondContact O-N 3.45Å; S12-Q16 VanDerWaalsContact O-N 3.08Å; S12-Q16 PolarHBondContact OG-OE1 3.36Å
13	S	42.9	Very low	37.9	Very low	62 Å²	62	115.5 Å²	115.5	43%	0.434	61%	0.612	S	S	.	*	H	α-helix	trans	-66.2	-44.2	-178.9	69.5	0	0	0	0	111.2	Q10 R15 Q16 E17	Q10-S13 PolarHBondContact O-OG 3.36Å; S13-R15 VanDerWaalsContact C-N 3.28Å; S13-R15 PolarHBondContact O-N 3.5Å; S13-Q16 CarbonylContact O-C 3.6Å; S13-Q16 PolarHBondContact O-N 2.64Å; S13-E17 PolarHBondContact O-N 3.05Å
14	Q	43.1	Very low	38.7	Very low	126 Å²	126	111 Å²	111	59%	0.589	59%	0.592	S	S	*	*	H	α-helix	trans	-62.1	-33.8	177	-70.6	-178.8	-37.8	0	0	112.7	Q10 V18	Q10-Q14 PolarHBondContact O-N 3.33Å; Q14-V18 WeakPolarHBondContact O-CB 3.49Å; Q14-V18 VanDerWaalsContact O-CG2 3.31Å; Q14-V18 WeakPolarHBondContact O-CG2 3.46Å; Q14-V18 PolarHBondContact O-N 3.3Å; Q14-V18 VanDerWaalsContact O-N 3.07Å
15	R	37.7	Very low	39.3	Very low	190 Å²	190	112.6 Å²	112.6	72%	0.717	58%	0.581	S	S	*	*	H	α-helix	trans	-68.8	-35.5	171.9	-98	-170.6	172.4	-148.3	-2.2	112.9	V11 S12 S13 L19	V11-R15 PolarHBondContact O-N 3.49Å; S12-R15 PolarHBondContact O-N 3.41Å; S13-R15 VanDerWaalsContact C-N 3.28Å; S13-R15 PolarHBondContact O-N 3.5Å; R15-L19 WeakPolarHBondContact O-CB 3.34Å; R15-L19 WeakPolarHBondContact O-CD1 3.35Å; R15-L19 WeakPolarHBondContact O-CG 3.12Å; R15-L19 PolarHBondContact O-N 3.07Å
16	Q	39.5	Very low	39.4	Very low	121 Å²	121	111 Å²	111	57%	0.565	57%	0.568	S	S	*	*	H	α-helix	trans	-75.4	-35.1	177.1	-78.3	172.3	-86.3	0	0	112.4	S12 S13 L19 M20	S12-Q16 PolarHBondContact O-N 3.45Å; S12-Q16 VanDerWaalsContact O-N 3.08Å; S12-Q16 PolarHBondContact OG-OE1 3.36Å; S13-Q16 CarbonylContact O-C 3.6Å; S13-Q16 PolarHBondContact O-N 2.64Å; Q16-L19 PolarHBondContact O-N 3.07Å; Q16-M20 WeakPolarHBondContact O-CB 3.49Å; Q16-M20 WeakPolarHBondContact O-CG 3.31Å; Q16-M20 PolarHBondContact O-N 3Å
17	E	47.1	Very low	39.7	Very low	124 Å²	124	108.5 Å²	108.5	58%	0.579	56%	0.557	S	S	*	*	H	α-helix	trans	-61.7	-51.7	170.2	-76.7	171.1	132.7	0	0	110.9	S13 L19 M20 E21	S13-E17 PolarHBondContact O-N 3.05Å; E17-L19 VanDerWaalsContact C-N 3.29Å; E17-L19 PolarHBondContact O-N 2.83Å; E17-M20 PolarHBondContact O-N 3.08Å; E17-M20 VanDerWaalsContact O-N 3.14Å; E17-E21 VanDerWaalsContact O-CB 3.25Å; E17-E21 WeakPolarHBondContact O-CB 3.39Å; E17-E21 PolarHBondContact O-N 3.33Å
18	V	43.2	Very low	40.2	Very low	77 Å²	77	110.3 Å²	110.3	47%	0.467	56%	0.561	S	S	.	*	H	α-helix	trans	-64	-31.7	178.6	173	0	0	0	0	112.6	Q14 N22	Q14-V18 WeakPolarHBondContact O-CB 3.49Å; Q14-V18 VanDerWaalsContact O-CG2 3.31Å; Q14-V18 WeakPolarHBondContact O-CG2 3.46Å; Q14-V18 PolarHBondContact O-N 3.3Å; Q14-V18 VanDerWaalsContact O-N 3.07Å; V18-N22 VanDerWaalsContact O-CB 3.32Å; V18-N22 WeakPolarHBondContact O-CB 3.5Å; V18-N22 PolarHBondContact O-N 3.47Å; V18-N22 PolarHBondContact O-ND2 3.16Å
19	L	35.9	Very low	40.3	Very low	111 Å²	111	105.4 Å²	105.4	58%	0.581	55%	0.549	S	S	*	.	H	α-helix	trans	-70.8	-42.4	172.4	-88.2	161.3	0	0	0	112.3	R15 Q16 E17 V23	R15-L19 WeakPolarHBondContact O-CB 3.34Å; R15-L19 WeakPolarHBondContact O-CD1 3.35Å; R15-L19 WeakPolarHBondContact O-CG 3.12Å; R15-L19 PolarHBondContact O-N 3.07Å; Q16-L19 PolarHBondContact O-N 3.07Å; E17-L19 VanDerWaalsContact C-N 3.29Å; E17-L19 PolarHBondContact O-N 2.83Å; L19-V23 WeakPolarHBondContact O-CB 3.23Å; L19-V23 VanDerWaalsContact O-CG2 3.23Å; L19-V23 WeakPolarHBondContact O-CG2 3.5Å; L19-V23 PolarHBondContact O-N 2.97Å
20	M	41.8	Very low	40.2	Very low	139 Å²	139	104.3 Å²	104.3	69%	0.685	54%	0.544	S	S	*	.	H	α-helix	trans	-64.9	-43.8	175.7	-71.2	-99.8	-75.5	0	0	111.4	Q16 E17 N22 V23 T24	Q16-M20 WeakPolarHBondContact O-CB 3.49Å; Q16-M20 WeakPolarHBondContact O-CG 3.31Å; Q16-M20 PolarHBondContact O-N 3Å; E17-M20 PolarHBondContact O-N 3.08Å; E17-M20 VanDerWaalsContact O-N 3.14Å; M20-N22 PolarHBondContact O-N 2.96Å; M20-V23 PolarHBondContact O-N 3.41Å; M20-V23 VanDerWaalsContact O-N 3.16Å; M20-T24 WeakPolarHBondContact O-CG2 3.45Å; M20-T24 PolarHBondContact O-N 3.13Å; M20-T24 PolarHBondContact O-OG1 3.31Å
21	E	45.7	Very low	40.3	Very low	104 Å²	104	100.1 Å²	100.1	49%	0.486	53%	0.534	S	S	.	.	H	α-helix	trans	-68.7	-31.5	-179.1	-167.2	178.6	-144.6	0	0	112.6	E17 T24 R25	E17-E21 VanDerWaalsContact O-CB 3.25Å; E17-E21 WeakPolarHBondContact O-CB 3.39Å; E17-E21 PolarHBondContact O-N 3.33Å; E21-T24 WeakPolarHBondContact CA-OG1 3.32Å; E21-T24 PolarHBondContact O-OG1 2.83Å; E21-T24 VanDerWaalsContact O-OG1 3.07Å; E21-R25 WeakPolarHBondContact O-CB 3.25Å; E21-R25 WeakPolarHBondContact O-CG 3.42Å; E21-R25 PolarHBondContact O-N 3.13Å; E21-R25 VanDerWaalsContact O-N 3.13Å
22	N	37.3	Very low	40.6	Very low	84 Å²	84	99.5 Å²	99.5	45%	0.449	53%	0.53	S	S	.	.	H	α-helix	trans	-73.8	-38.5	168.5	-79.7	-21.6	0	0	0	112.2	V18 M20 R25 T26	V18-N22 VanDerWaalsContact O-CB 3.32Å; V18-N22 WeakPolarHBondContact O-CB 3.5Å; V18-N22 PolarHBondContact O-N 3.47Å; V18-N22 PolarHBondContact O-ND2 3.16Å; M20-N22 PolarHBondContact O-N 2.96Å; N22-R25 PolarHBondContact O-N 2.84Å; N22-T26 WeakPolarHBondContact O-CG2 3.39Å; N22-T26 PolarHBondContact O-N 3.22Å; N22-T26 PolarHBondContact O-OG1 2.89Å; N22-T26 VanDerWaalsContact O-OG1 3.13Å
23	V	35.9	Very low	40.4	Very low	92 Å²	92	101.6 Å²	101.6	56%	0.558	54%	0.535	S	S	*	.	H	α-helix	trans	-65.4	-41.9	177	166.5	0	0	0	0	111.2	L19 M20 T26 S27	L19-V23 WeakPolarHBondContact O-CB 3.23Å; L19-V23 VanDerWaalsContact O-CG2 3.23Å; L19-V23 WeakPolarHBondContact O-CG2 3.5Å; L19-V23 PolarHBondContact O-N 2.97Å; M20-V23 PolarHBondContact O-N 3.41Å; M20-V23 VanDerWaalsContact O-N 3.16Å; V23-T26 WeakPolarHBondContact CA-OG1 3.46Å; V23-T26 PolarHBondContact O-N 2.8Å; V23-T26 PolarHBondContact O-OG1 3.46Å; V23-S27 WeakPolarHBondContact O-CB 3.41Å; V23-S27 PolarHBondContact O-N 3.49Å
24	T	45.3	Very low	40.3	Very low	74 Å²	74	105.3 Å²	105.3	45%	0.454	55%	0.546	S	S	.	.	H	α-helix	trans	-63.5	-48	172.9	53.3	0	0	0	0	111.1	M20 E21 T26 S27 D28	M20-T24 WeakPolarHBondContact O-CG2 3.45Å; M20-T24 PolarHBondContact O-N 3.13Å; M20-T24 PolarHBondContact O-OG1 3.31Å; E21-T24 WeakPolarHBondContact CA-OG1 3.32Å; E21-T24 PolarHBondContact O-OG1 2.83Å; E21-T24 VanDerWaalsContact O-OG1 3.07Å; T24-T26 VanDerWaalsContact C-N 3.29Å; T24-T26 PolarHBondContact O-N 3.14Å; T24-S27 CarbonylContact O-C 3.59Å; T24-S27 WeakPolarHBondContact O-CA 3.39Å; T24-S27 WeakPolarHBondContact O-CB 3.4Å; T24-S27 PolarHBondContact O-N 3.3Å; T24-D28 VanDerWaalsContact O-CG 3.27Å; T24-D28 PolarHBondContact O-N 2.97Å
25	R	42.3	Very low	40.4	Very low	144 Å²	144	105.5 Å²	105.5	54%	0.543	55%	0.547	S	S	.	.	H	α-helix	trans	-55.5	-40.2	174.5	-84.3	-177.5	167.7	123.8	0.7	113.4	E21 N22 D28 H29	E21-R25 WeakPolarHBondContact O-CB 3.25Å; E21-R25 WeakPolarHBondContact O-CG 3.42Å; E21-R25 PolarHBondContact O-N 3.13Å; E21-R25 VanDerWaalsContact O-N 3.13Å; N22-R25 PolarHBondContact O-N 2.84Å; R25-D28 PolarHBondContact O-N 3.07Å; R25-H29 WeakPolarHBondContact O-CB 3.33Å; R25-H29 PolarHBondContact O-N 3.25Å
26	T	35.5	Very low	40.3	Very low	94 Å²	94	99.7 Å²	99.7	58%	0.577	53%	0.532	S	S	*	.	H	α-helix	trans	-70.2	-30.5	174.9	52.4	0	0	0	0	113.2	N22 V23 T24 A30	N22-T26 WeakPolarHBondContact O-CG2 3.39Å; N22-T26 PolarHBondContact O-N 3.22Å; N22-T26 PolarHBondContact O-OG1 2.89Å; N22-T26 VanDerWaalsContact O-OG1 3.13Å; V23-T26 WeakPolarHBondContact CA-OG1 3.46Å; V23-T26 PolarHBondContact O-N 2.8Å; V23-T26 PolarHBondContact O-OG1 3.46Å; T24-T26 VanDerWaalsContact C-N 3.29Å; T24-T26 PolarHBondContact O-N 3.14Å; T26-A30 WeakPolarHBondContact O-CB 3.34Å; T26-A30 PolarHBondContact O-N 2.91Å
27	S	38	Very low	40.1	Very low	77 Å²	77	99 Å²	99	54%	0.538	53%	0.532	S	S	.	.	H	α-helix	trans	-71.1	-39.6	173.6	-168.8	0	0	0	0	111.7	V23 T24 A30 G31	V23-S27 WeakPolarHBondContact O-CB 3.41Å; V23-S27 PolarHBondContact O-N 3.49Å; T24-S27 CarbonylContact O-C 3.59Å; T24-S27 WeakPolarHBondContact O-CA 3.39Å; T24-S27 WeakPolarHBondContact O-CB 3.4Å; T24-S27 PolarHBondContact O-N 3.3Å; S27-A30 PolarHBondContact O-N 3.48Å; S27-G31 PolarHBondContact O-N 2.99Å
28	D	45.4	Very low	39.7	Very low	102 Å²	102	94.6 Å²	94.6	55%	0.545	52%	0.52	S	S	.	.	H	α-helix	trans	-69.2	-41.9	177.6	-61.2	-32.1	0	0	0	110.7	T24 R25 A30 G31 V32	T24-D28 VanDerWaalsContact O-CG 3.27Å; T24-D28 PolarHBondContact O-N 2.97Å; R25-D28 PolarHBondContact O-N 3.07Å; D28-A30 VanDerWaalsContact C-N 3.33Å; D28-A30 PolarHBondContact O-N 2.82Å; D28-G31 PolarHBondContact O-N 3.36Å; D28-V32 WeakPolarHBondContact O-CG2 3.36Å; D28-V32 PolarHBondContact O-N 2.93Å
29	H	38.2	Very low	39.6	Very low	137 Å²	137	95.1 Å²	95.1	63%	0.634	52%	0.517	S	S	*	.	H	α-helix	trans	-63.5	-34.8	170.6	-82.7	23.8	0	0	0	113.1	R25 L33	R25-H29 WeakPolarHBondContact O-CB 3.33Å; R25-H29 PolarHBondContact O-N 3.25Å; H29-L33 WeakPolarHBondContact O-CB 3.48Å; H29-L33 PolarHBondContact O-N 3.36Å
30	A	35.5	Very low	39.5	Very low	52 Å²	52	92.6 Å²	92.6	43%	0.43	51%	0.512	S	S	.	.	H	α-helix	trans	-67.6	-37.3	172.4	0	0	0	0	0	112	T26 S27 D28 L33 Q34	T26-A30 WeakPolarHBondContact O-CB 3.34Å; T26-A30 PolarHBondContact O-N 2.91Å; S27-A30 PolarHBondContact O-N 3.48Å; D28-A30 VanDerWaalsContact C-N 3.33Å; D28-A30 PolarHBondContact O-N 2.82Å; A30-L33 PolarHBondContact O-N 3.1Å; A30-Q34 WeakPolarHBondContact O-CB 3.34Å; A30-Q34 PolarHBondContact O-N 2.76Å
31	G	42.4	Very low	39.5	Very low	34 Å²	34	88.8 Å²	88.8	35%	0.351	50%	0.499	S	S	.	.	H	α-helix	trans	-64.4	-43.5	173.7	0	0	0	0	0	112.9	S27 D28 Q34 Q35	S27-G31 PolarHBondContact O-N 2.99Å; D28-G31 PolarHBondContact O-N 3.36Å; G31-Q34 WeakPolarHBondContact O-CB 3.13Å; G31-Q34 PolarHBondContact O-N 2.82Å; G31-Q35 PolarHBondContact O-N 2.89Å
32	V	42.1	Very low	39.6	Very low	80 Å²	80	88 Å²	88	49%	0.485	50%	0.502	S	S	.	.	H	α-helix	trans	-66.4	-38.9	174.4	172.9	0	0	0	0	111.7	D28 Q34 Q35 T36	D28-V32 WeakPolarHBondContact O-CG2 3.36Å; D28-V32 PolarHBondContact O-N 2.93Å; V32-Q34 VanDerWaalsContact C-N 3.32Å; V32-Q34 PolarHBondContact O-N 3.12Å; V32-Q35 PolarHBondContact O-N 2.77Å; V32-T36 HydrophobicContact CG1-CG2 4.47Å; V32-T36 WeakPolarHBondContact O-CB 3.41Å; V32-T36 WeakPolarHBondContact O-CG2 3.42Å; V32-T36 PolarHBondContact O-N 2.79Å; V32-T36 PolarHBondContact O-OG1 3.23Å
33	L	33.3	Very low	39.8	Very low	109 Å²	109	90.1 Å²	90.1	57%	0.571	51%	0.509	S	S	*	.	H	α-helix	trans	-61	-38.5	169.5	-87.5	161.5	0	0	0	112.2	H29 A30 T36 L37	H29-L33 WeakPolarHBondContact O-CB 3.48Å; H29-L33 PolarHBondContact O-N 3.36Å; A30-L33 PolarHBondContact O-N 3.1Å; L33-T36 WeakPolarHBondContact CA-OG1 3.38Å; L33-T36 PolarHBondContact O-OG1 2.78Å; L33-L37 VanDerWaalsContact O-CB 3.25Å; L33-L37 WeakPolarHBondContact O-CB 3.21Å; L33-L37 WeakPolarHBondContact O-CD1 3.37Å; L33-L37 WeakPolarHBondContact O-CG 3.25Å; L33-L37 PolarHBondContact O-N 3.47Å
34	Q	40.5	Very low	40.3	Very low	141 Å²	141	88.3 Å²	88.3	66%	0.659	50%	0.503	S	S	*	.	H	α-helix	trans	-70.3	-37.1	177.5	-156.6	74.5	26.7	0	0	112.3	A30 G31 V32 G38	A30-Q34 WeakPolarHBondContact O-CB 3.34Å; A30-Q34 PolarHBondContact O-N 2.76Å; G31-Q34 WeakPolarHBondContact O-CB 3.13Å; G31-Q34 PolarHBondContact O-N 2.82Å; V32-Q34 VanDerWaalsContact C-N 3.32Å; V32-Q34 PolarHBondContact O-N 3.12Å; Q34-G38 PolarHBondContact O-N 3.15Å
35	Q	45.6	Very low	40.6	Very low	130 Å²	130	89.1 Å²	89.1	61%	0.607	51%	0.505	S	S	*	.	H	α-helix	trans	-68.8	-47.6	174.1	-77.1	-178.6	-52.4	0	0	111.8	G31 V32 L37 G38 E39	G31-Q35 PolarHBondContact O-N 2.89Å; V32-Q35 PolarHBondContact O-N 2.77Å; Q35-L37 VanDerWaalsContact C-N 3.3Å; Q35-L37 PolarHBondContact O-N 2.79Å; Q35-G38 CarbonylContact O-C 3.53Å; Q35-G38 WeakPolarHBondContact O-CA 3.36Å; Q35-G38 PolarHBondContact O-N 3.23Å; Q35-E39 PolarHBondContact O-N 2.62Å
36	T	36.1	Very low	40.9	Very low	67 Å²	67	86.7 Å²	86.7	41%	0.411	50%	0.502	S	S	.	.	H	α-helix	trans	-65.2	-30.2	176.1	49.2	0	0	0	0	113	V32 L33 A40	V32-T36 HydrophobicContact CG1-CG2 4.47Å; V32-T36 WeakPolarHBondContact O-CB 3.41Å; V32-T36 WeakPolarHBondContact O-CG2 3.42Å; V32-T36 PolarHBondContact O-N 2.79Å; V32-T36 PolarHBondContact O-OG1 3.23Å; L33-T36 WeakPolarHBondContact CA-OG1 3.38Å; L33-T36 PolarHBondContact O-OG1 2.78Å; T36-A40 WeakPolarHBondContact O-CB 3.46Å; T36-A40 PolarHBondContact O-N 2.97Å
37	L	34.5	Very low	41.6	Very low	107 Å²	107	87.3 Å²	87.3	56%	0.56	50%	0.502	S	S	*	.	H	α-helix	trans	-68	-35.7	168.1	-80.5	164.9	0	0	0	112.5	L33 Q35 S41	L33-L37 VanDerWaalsContact O-CB 3.25Å; L33-L37 WeakPolarHBondContact O-CB 3.21Å; L33-L37 WeakPolarHBondContact O-CD1 3.37Å; L33-L37 WeakPolarHBondContact O-CG 3.25Å; L33-L37 PolarHBondContact O-N 3.47Å; Q35-L37 VanDerWaalsContact C-N 3.3Å; Q35-L37 PolarHBondContact O-N 2.79Å; L37-S41 PolarHBondContact O-N 3.18Å
38	G	39.8	Very low	42.5	Very low	31 Å²	31	88.5 Å²	88.5	32%	0.32	50%	0.498	S	S	.	.	H	α-helix	trans	-66.5	-47.4	173.3	0	0	0	0	0	112	Q34 Q35 A40 S41 T42	Q34-G38 PolarHBondContact O-N 3.15Å; Q35-G38 CarbonylContact O-C 3.53Å; Q35-G38 WeakPolarHBondContact O-CA 3.36Å; Q35-G38 PolarHBondContact O-N 3.23Å; G38-A40 PolarHBondContact O-N 3.13Å; G38-S41 WeakPolarHBondContact O-CA 3.4Å; G38-S41 WeakPolarHBondContact O-CB 3.46Å; G38-S41 PolarHBondContact O-N 2.76Å; G38-S41 PolarHBondContact O-OG 3.42Å; G38-T42 PolarHBondContact O-N 3.48Å
39	E	39.8	Very low	42.9	Very low	89 Å²	89	87.5 Å²	87.5	42%	0.416	49%	0.493	S	S	.	.	H	α-helix	trans	-64.9	-37	175.4	-70.9	169.4	174.2	0	0	112.2	Q35 S41 T42 Q43 M202	Q35-E39 PolarHBondContact O-N 2.62Å; E39-S41 VanDerWaalsContact C-N 3.28Å; E39-S41 PolarHBondContact O-N 3.17Å; E39-T42 WeakPolarHBondContact CA-OG1 3.44Å; E39-T42 PolarHBondContact O-N 2.93Å; E39-T42 PolarHBondContact O-OG1 2.91Å; E39-T42 VanDerWaalsContact O-OG1 3.1Å; E39-Q43 VanDerWaalsContact O-CB 3.28Å; E39-Q43 WeakPolarHBondContact O-CB 3.35Å; E39-Q43 PolarHBondContact O-N 3.43Å; E39-M202 HydrophobicContact CG-CE 4.39Å; E39-M202 VanDerWaalsContact OE1-CE 3.22Å; E39-M202 WeakPolarHBondContact OE1-CE 3.3Å
40	A	35.3	Very low	43.8	Very low	58 Å²	58	83.6 Å²	83.6	48%	0.479	48%	0.477	S	S	.	.	H	α-helix	trans	-62.7	-34	170.2	0	0	0	0	0	112.3	T36 G38 A44	T36-A40 WeakPolarHBondContact O-CB 3.46Å; T36-A40 PolarHBondContact O-N 2.97Å; G38-A40 PolarHBondContact O-N 3.13Å; A40-A44 VanDerWaalsContact O-CB 3.3Å; A40-A44 WeakPolarHBondContact O-CB 3.39Å; A40-A44 PolarHBondContact O-N 2.89Å
41	S	41.7	Very low	44.8	Very low	59 Å²	59	89.1 Å²	89.1	41%	0.413	49%	0.486	S	S	.	.	H	α-helix	trans	-71.6	-42.6	173.8	72.2	0	0	0	0	113	L37 G38 E39 Q43 A44 D45	L37-S41 PolarHBondContact O-N 3.18Å; G38-S41 WeakPolarHBondContact O-CA 3.4Å; G38-S41 WeakPolarHBondContact O-CB 3.46Å; G38-S41 PolarHBondContact O-N 2.76Å; G38-S41 PolarHBondContact O-OG 3.42Å; E39-S41 VanDerWaalsContact C-N 3.28Å; E39-S41 PolarHBondContact O-N 3.17Å; S41-Q43 VanDerWaalsContact C-N 3.32Å; S41-Q43 PolarHBondContact O-N 2.9Å; S41-A44 WeakPolarHBondContact O-CB 3.33Å; S41-A44 PolarHBondContact O-N 2.92Å; S41-D45 PolarHBondContact O-N 2.72Å
42	T	47.3	Very low	45.3	Very low	87 Å²	87	91.5 Å²	91.5	53%	0.534	49%	0.487	S	S	.	.	H	α-helix	trans	-69	-32.2	177.4	56.5	0	0	0	0	112.2	G38 E39 D45 L46	G38-T42 PolarHBondContact O-N 3.48Å; E39-T42 WeakPolarHBondContact CA-OG1 3.44Å; E39-T42 PolarHBondContact O-N 2.93Å; E39-T42 PolarHBondContact O-OG1 2.91Å; E39-T42 VanDerWaalsContact O-OG1 3.1Å; T42-D45 PolarHBondContact O-N 2.77Å; T42-L46 WeakPolarHBondContact O-CB 3.39Å; T42-L46 PolarHBondContact O-N 2.73Å
43	Q	41.9	Very low	45.9	Very low	129 Å²	129	90.4 Å²	90.4	60%	0.603	48%	0.478	S	S	*	.	H	α-helix	trans	-73.3	-32	173.1	-170	162.2	-21.7	0	0	112.4	E39 S41 L47	E39-Q43 VanDerWaalsContact O-CB 3.28Å; E39-Q43 WeakPolarHBondContact O-CB 3.35Å; E39-Q43 PolarHBondContact O-N 3.43Å; S41-Q43 VanDerWaalsContact C-N 3.32Å; S41-Q43 PolarHBondContact O-N 2.9Å; Q43-L47 WeakPolarHBondContact O-CB 3.06Å; Q43-L47 WeakPolarHBondContact O-CG 3.14Å; Q43-L47 PolarHBondContact O-N 3.39Å
44	A	46.3	Very low	47	Very low	53 Å²	53	90 Å²	90	44%	0.438	47%	0.474	S	S	.	.	H	α-helix	trans	-66.7	-44.7	169	0	0	0	0	0	111.8	A40 S41 L46 L47 E48	A40-A44 VanDerWaalsContact O-CB 3.3Å; A40-A44 WeakPolarHBondContact O-CB 3.39Å; A40-A44 PolarHBondContact O-N 2.89Å; S41-A44 WeakPolarHBondContact O-CB 3.33Å; S41-A44 PolarHBondContact O-N 2.92Å; A44-L46 VanDerWaalsContact C-N 3.32Å; A44-L46 PolarHBondContact O-N 3.2Å; A44-L47 PolarHBondContact O-N 2.91Å; A44-E48 WeakPolarHBondContact O-CB 3.14Å; A44-E48 PolarHBondContact O-N 2.91Å
45	D	50.1	Low	48	Very low	92 Å²	92	86.1 Å²	86.1	49%	0.492	46%	0.461	S	S	.	.	H	α-helix	trans	-60.1	-41.3	175	-73.2	-23.4	0	0	0	111.5	S41 T42 E48 N49	S41-D45 PolarHBondContact O-N 2.72Å; T42-D45 PolarHBondContact O-N 2.77Å; D45-E48 PolarHBondContact O-N 2.69Å; D45-N49 WeakPolarHBondContact O-CB 3.01Å; D45-N49 PolarHBondContact O-N 3.36Å; D45-N49 PolarHBondContact O-ND2 3.2Å
46	L	49	Very low	48.5	Very low	92 Å²	92	84 Å²	84	48%	0.482	45%	0.454	S	S	.	.	H	α-helix	trans	-63.5	-45.9	176.3	-173.9	67.9	0	0	0	111.7	T42 A44 E48 N49 I50	T42-L46 WeakPolarHBondContact O-CB 3.39Å; T42-L46 PolarHBondContact O-N 2.73Å; A44-L46 VanDerWaalsContact C-N 3.32Å; A44-L46 PolarHBondContact O-N 3.2Å; L46-E48 VanDerWaalsContact C-N 3.35Å; L46-N49 PolarHBondContact O-N 3.3Å; L46-I50 HydrophobicContact CG-CD1 4.08Å; L46-I50 VanDerWaalsContact O-CG1 3.31Å; L46-I50 WeakPolarHBondContact O-CG1 3.29Å; L46-I50 PolarHBondContact O-N 2.98Å
47	L	51.3	Low	49.7	Very low	108 Å²	108	83.5 Å²	83.5	57%	0.565	45%	0.446	S	S	*	.	H	α-helix	trans	-63.6	-39	176	-75.5	167.2	0	0	0	112.1	Q43 A44 N49 I50 W51	Q43-L47 WeakPolarHBondContact O-CB 3.06Å; Q43-L47 WeakPolarHBondContact O-CG 3.14Å; Q43-L47 PolarHBondContact O-N 3.39Å; A44-L47 PolarHBondContact O-N 2.91Å; L47-N49 VanDerWaalsContact C-N 3.35Å; L47-I50 PolarHBondContact O-N 3.3Å; L47-W51 WeakPolarHBondContact O-CB 3.34Å; L47-W51 PolarHBondContact O-N 3.19Å
48	E	57	Low	51	Low	101 Å²	101	84.5 Å²	84.5	47%	0.472	45%	0.448	S	S	.	.	H	α-helix	trans	-66.2	-37.4	175.4	-165.5	-178.7	133.8	0	0	111.6	A44 D45 L46 K52	A44-E48 WeakPolarHBondContact O-CB 3.14Å; A44-E48 PolarHBondContact O-N 2.91Å; D45-E48 PolarHBondContact O-N 2.69Å; L46-E48 VanDerWaalsContact C-N 3.35Å; E48-K52 HydrophobicContact CG-CD 4.48Å; E48-K52 WeakPolarHBondContact O-CB 3.47Å; E48-K52 VanDerWaalsContact O-CG 3.24Å; E48-K52 WeakPolarHBondContact O-CG 3.31Å; E48-K52 PolarHBondContact O-N 3.25Å; E48-K52 WeakPolarHBondContact OE1-CE 3.36Å; E48-K52 IonicContact OE1-NZ 2.99Å; E48-K52 PolarHBondContact OE1-NZ 2.96Å
49	N	53.9	Low	52	Low	81 Å²	81	88.5 Å²	88.5	43%	0.433	46%	0.462	S	S	.	.	H	α-helix	trans	-70.6	-40.6	176.1	-70	-31.9	0	0	0	112.6	D45 L46 L47 K52 L53	D45-N49 WeakPolarHBondContact O-CB 3.01Å; D45-N49 PolarHBondContact O-N 3.36Å; D45-N49 PolarHBondContact O-ND2 3.2Å; L46-N49 PolarHBondContact O-N 3.3Å; L47-N49 VanDerWaalsContact C-N 3.35Å; N49-K52 PolarHBondContact O-N 2.02Å; N49-L53 WeakPolarHBondContact O-CG 3.29Å; N49-L53 PolarHBondContact O-N 2.97Å
50	I	55.5	Low	53.1	Low	56 Å²	56	89.1 Å²	89.1	29%	0.287	46%	0.464	S	S	.	.	H	α-helix	trans	-59.5	-47.7	171.8	-69.8	164.9	0	0	0	110.1	L46 L47 K52 L53 E54 F159	L46-I50 HydrophobicContact CG-CD1 4.08Å; L46-I50 VanDerWaalsContact O-CG1 3.31Å; L46-I50 WeakPolarHBondContact O-CG1 3.29Å; L46-I50 PolarHBondContact O-N 2.98Å; L47-I50 PolarHBondContact O-N 3.3Å; I50-K52 PolarHBondContact O-N 3.2Å; I50-L53 PolarHBondContact O-N 3.21Å; I50-E54 WeakPolarHBondContact O-CB 3.5Å; I50-E54 PolarHBondContact O-N 3.21Å; I50-F159 HydrophobicContact CG2-CZ 4.45Å
51	W	56.5	Low	54.7	Low	167 Å²	167	88.3 Å²	88.3	63%	0.633	46%	0.455	S	S	*	.	H	α-helix	trans	-63.6	-38.1	178.6	-176.1	80.8	0	0	0	112.9	L47 S55	L47-W51 WeakPolarHBondContact O-CB 3.34Å; L47-W51 PolarHBondContact O-N 3.19Å; W51-S55 VanDerWaalsContact O-CB 3.24Å; W51-S55 WeakPolarHBondContact O-CB 3.48Å; W51-S55 PolarHBondContact O-N 2.75Å
52	K	53.3	Low	56	Low	84 Å²	84	86.7 Å²	86.7	37%	0.365	44%	0.444	S	S	.	.	H	α-helix	trans	-62.6	-45.2	172.7	-76.8	165	-173.8	156.3	0	111.8	E48 N49 I50 S55 I56	E48-K52 HydrophobicContact CG-CD 4.48Å; E48-K52 WeakPolarHBondContact O-CB 3.47Å; E48-K52 VanDerWaalsContact O-CG 3.24Å; E48-K52 WeakPolarHBondContact O-CG 3.31Å; E48-K52 PolarHBondContact O-N 3.25Å; E48-K52 WeakPolarHBondContact OE1-CE 3.36Å; E48-K52 IonicContact OE1-NZ 2.99Å; E48-K52 PolarHBondContact OE1-NZ 2.96Å; N49-K52 PolarHBondContact O-N 2.02Å; I50-K52 PolarHBondContact O-N 3.2Å; K52-S55 PolarHBondContact O-N 3.23Å; K52-I56 WeakPolarHBondContact O-CB 3.5Å; K52-I56 WeakPolarHBondContact O-CD1 3.47Å; K52-I56 VanDerWaalsContact O-CG1 3.23Å; K52-I56 WeakPolarHBondContact O-CG1 3.25Å; K52-I56 PolarHBondContact O-N 3.43Å
53	L	55.5	Low	57.4	Low	58 Å²	58	89.4 Å²	89.4	30%	0.304	44%	0.444	S	S	.	.	H	α-helix	trans	-61.9	-48.1	176.7	-75.6	167.7	0	0	0	111.1	N49 I50 S55 I56 F57	N49-L53 WeakPolarHBondContact O-CG 3.29Å; N49-L53 PolarHBondContact O-N 2.97Å; I50-L53 PolarHBondContact O-N 3.21Å; L53-S55 VanDerWaalsContact C-N 3.34Å; L53-S55 PolarHBondContact O-N 3.42Å; L53-I56 WeakPolarHBondContact O-CB 3.34Å; L53-I56 PolarHBondContact O-N 2.94Å; L53-I56 VanDerWaalsContact O-N 3.11Å; L53-F57 HydrophobicContact CB-CE2 4.5Å; L53-F57 WeakPolarHBondContact O-CD2 3.37Å; L53-F57 PolarHBondContact O-N 2.82Å
54	E	57.1	Low	58.8	Low	101 Å²	101	83.7 Å²	83.7	47%	0.472	42%	0.418	S	S	.	.	H	α-helix	trans	-59	-44.1	177.3	-170	172.4	-162.7	0	0	111.7	I50 I56 F57 Q58	I50-E54 WeakPolarHBondContact O-CB 3.5Å; I50-E54 PolarHBondContact O-N 3.21Å; E54-I56 PolarHBondContact O-N 3Å; E54-F57 PolarHBondContact O-N 3.08Å; E54-Q58 WeakPolarHBondContact O-CB 3.18Å; E54-Q58 VanDerWaalsContact O-CG 3.24Å; E54-Q58 WeakPolarHBondContact O-CG 3.43Å; E54-Q58 PolarHBondContact O-N 2.9Å
55	S	60	Low	60.3	Low	58 Å²	58	84.5 Å²	84.5	41%	0.406	41%	0.413	S	S	.	.	H	α-helix	trans	-60.7	-39.9	173.6	-176.2	0	0	0	0	112.9	W51 K52 L53 N59	W51-S55 VanDerWaalsContact O-CB 3.24Å; W51-S55 WeakPolarHBondContact O-CB 3.48Å; W51-S55 PolarHBondContact O-N 2.75Å; K52-S55 PolarHBondContact O-N 3.23Å; L53-S55 VanDerWaalsContact C-N 3.34Å; L53-S55 PolarHBondContact O-N 3.42Å; S55-N59 VanDerWaalsContact O-CB 3.27Å; S55-N59 WeakPolarHBondContact O-CB 3.48Å; S55-N59 PolarHBondContact O-N 3.49Å
56	I	57.5	Low	61.6	Low	87 Å²	87	87 Å²	87	45%	0.446	42%	0.415	S	S	.	.	H	α-helix	trans	-64.1	-49.1	175	-72.7	164.1	0	0	0	110.4	K52 L53 E54 Q58 N59 H60	K52-I56 WeakPolarHBondContact O-CB 3.5Å; K52-I56 WeakPolarHBondContact O-CD1 3.47Å; K52-I56 VanDerWaalsContact O-CG1 3.23Å; K52-I56 WeakPolarHBondContact O-CG1 3.25Å; K52-I56 PolarHBondContact O-N 3.43Å; L53-I56 WeakPolarHBondContact O-CB 3.34Å; L53-I56 PolarHBondContact O-N 2.94Å; L53-I56 VanDerWaalsContact O-N 3.11Å; E54-I56 PolarHBondContact O-N 3Å; I56-Q58 PolarHBondContact O-N 3.25Å; I56-N59 PolarHBondContact O-N 2.89Å; I56-H60 PolarHBondContact O-CD2 2.71Å; I56-H60 PolarHBondContact O-N 3.47Å
57	F	59.4	Low	62.9	Low	56 Å²	56	85.2 Å²	85.2	25%	0.246	41%	0.406	C	S	.	.	H	α-helix	trans	-62.3	-43.2	178.2	-76.3	-66.8	0	0	0	112.6	L53 E54 N59 H60 S61 V155	L53-F57 HydrophobicContact CB-CE2 4.5Å; L53-F57 WeakPolarHBondContact O-CD2 3.37Å; L53-F57 PolarHBondContact O-N 2.82Å; E54-F57 PolarHBondContact O-N 3.08Å; F57-N59 PolarHBondContact O-N 3.22Å; F57-H60 PolarHBondContact O-N 2.77Å; F57-S61 WeakPolarHBondContact O-CB 3.37Å; F57-S61 PolarHBondContact O-N 3.35Å; F57-V155 HydrophobicContact CE1-CB 4.45Å; F57-V155 HydrophobicContact CE1-CG1 3.66Å; F57-V155 HydrophobicContact CE2-CG1 4.46Å; F57-V155 HydrophobicContact CZ-CG1 3.5Å
58	Q	62.2	Low	64.1	Low	127 Å²	127	83.2 Å²	83.2	59%	0.593	39%	0.394	S	S	*	.	H	α-helix	trans	-62.2	-41.5	175.9	-70.9	-68.5	-6.9	0	0	112	E54 I56 S61 S62	E54-Q58 WeakPolarHBondContact O-CB 3.18Å; E54-Q58 VanDerWaalsContact O-CG 3.24Å; E54-Q58 WeakPolarHBondContact O-CG 3.43Å; E54-Q58 PolarHBondContact O-N 2.9Å; I56-Q58 PolarHBondContact O-N 3.25Å; Q58-S61 PolarHBondContact O-N 3.1Å; Q58-S62 PolarHBondContact O-N 3.31Å
59	N	61.1	Low	65.2	Low	115 Å²	115	83.9 Å²	83.9	62%	0.615	40%	0.399	S	S	*	.	H	α-helix	trans	-67.5	-41.9	177.3	-167.9	25.7	0	0	0	112	S55 I56 F57 S62 W63	S55-N59 VanDerWaalsContact O-CB 3.27Å; S55-N59 WeakPolarHBondContact O-CB 3.48Å; S55-N59 PolarHBondContact O-N 3.49Å; I56-N59 PolarHBondContact O-N 2.89Å; F57-N59 PolarHBondContact O-N 3.22Å; N59-S62 PolarHBondContact O-N 2.92Å; N59-W63 PolarHBondContact O-N 3.06Å
60	H	63.2	Low	66.5	Low	102 Å²	102	85.2 Å²	85.2	47%	0.472	41%	0.406	S	S	.	.	H	α-helix	trans	-61.8	-42.8	172.9	-83	-71.6	0	0	0	112.2	I56 F57 S62 W63 L64	I56-H60 PolarHBondContact O-CD2 2.71Å; I56-H60 PolarHBondContact O-N 3.47Å; F57-H60 PolarHBondContact O-N 2.77Å; H60-S62 PolarHBondContact O-N 3.04Å; H60-W63 PolarHBondContact O-N 3.5Å; H60-W63 VanDerWaalsContact O-N 3.15Å; H60-L64 VanDerWaalsContact O-CG 3.3Å; H60-L64 WeakPolarHBondContact O-CG 3.48Å; H60-L64 PolarHBondContact O-N 2.85Å
61	S	68	Low	67.6	Low	42 Å²	42	83 Å²	83	29%	0.294	39%	0.394	S	S	.	.	H	α-helix	trans	-58.4	-45.9	174.6	-176.3	0	0	0	0	112	F57 Q58 W63 L64 Q65	F57-S61 WeakPolarHBondContact O-CB 3.37Å; F57-S61 PolarHBondContact O-N 3.35Å; Q58-S61 PolarHBondContact O-N 3.1Å; S61-W63 VanDerWaalsContact C-N 3.32Å; S61-W63 PolarHBondContact O-N 2.87Å; S61-L64 PolarHBondContact O-N 2.86Å; S61-Q65 VanDerWaalsContact O-CG 3.31Å; S61-Q65 WeakPolarHBondContact O-CG 3.49Å; S61-Q65 PolarHBondContact O-N 2.84Å
62	S	69.8	Low	68.8	Low	24 Å²	24	79.4 Å²	79.4	17%	0.168	38%	0.383	C	S	.	.	H	α-helix	trans	-61.1	-36.6	174.1	-179.7	0	0	0	0	113.2	Q58 N59 H60 R66	Q58-S62 PolarHBondContact O-N 3.31Å; N59-S62 PolarHBondContact O-N 2.92Å; H60-S62 PolarHBondContact O-N 3.04Å; S62-R66 WeakPolarHBondContact O-CD 3.34Å; S62-R66 VanDerWaalsContact O-CG 3.27Å; S62-R66 WeakPolarHBondContact O-CG 3.14Å; S62-R66 PolarHBondContact O-N 3.41Å
63	W	76.8	Confident	70.3	Confident	144 Å²	144	78.3 Å²	78.3	55%	0.545	39%	0.386	S	S	.	.	H	α-helix	trans	-69.5	-45.3	176.1	-179.1	84.5	0	0	0	112.1	N59 H60 S61 Q65 R66 L67	N59-W63 PolarHBondContact O-N 3.06Å; H60-W63 PolarHBondContact O-N 3.5Å; H60-W63 VanDerWaalsContact O-N 3.15Å; S61-W63 VanDerWaalsContact C-N 3.32Å; S61-W63 PolarHBondContact O-N 2.87Å; W63-Q65 PolarHBondContact O-N 2.99Å; W63-R66 PolarHBondContact O-N 3.38Å; W63-L67 HydrophobicContact CH2-CD2 3.58Å; W63-L67 HydrophobicContact CZ2-CD2 4.02Å; W63-L67 HydrophobicContact CZ3-CD2 3.92Å; W63-L67 PolarHBondContact O-N 3.43Å
64	L	71.8	Confident	71.7	Confident	10 Å²	10	79.9 Å²	79.9	5%	0.052	39%	0.394	C	S	.	.	H	α-helix	trans	-60.1	-45.5	177.2	-67	167.7	0	0	0	111.3	H60 S61 R66 L67 E68 L145 V148 V152	H60-L64 VanDerWaalsContact O-CG 3.3Å; H60-L64 WeakPolarHBondContact O-CG 3.48Å; H60-L64 PolarHBondContact O-N 2.85Å; S61-L64 PolarHBondContact O-N 2.86Å; L64-R66 VanDerWaalsContact C-N 3.33Å; L64-R66 PolarHBondContact O-N 2.83Å; L64-L67 PolarHBondContact O-N 3.31Å; L64-E68 WeakPolarHBondContact O-CB 3.47Å; L64-E68 PolarHBondContact O-N 2.66Å; L64-L145 HydrophobicContact CB-CD1 4.35Å; L64-L145 HydrophobicContact CD2-CD1 3.47Å; L64-L145 VanDerWaalsContact CD2-CD1 3.47Å; L64-V148 HydrophobicContact CD1-CG1 4.17Å; L64-V148 HydrophobicContact CD2-CB 4.35Å; L64-V148 HydrophobicContact CD2-CG1 3.62Å; L64-V152 HydrophobicContact CD1-CB 4.46Å; L64-V152 HydrophobicContact CD1-CG2 4.14Å
65	Q	76.7	Confident	72.9	Confident	69 Å²	69	75.9 Å²	75.9	32%	0.322	38%	0.376	S	S	.	.	H	α-helix	trans	-57.5	-42.8	174.9	-73	173.7	7.2	0	0	112.5	S61 W63 E68 I69 R341	S61-Q65 VanDerWaalsContact O-CG 3.31Å; S61-Q65 WeakPolarHBondContact O-CG 3.49Å; S61-Q65 PolarHBondContact O-N 2.84Å; W63-Q65 PolarHBondContact O-N 2.99Å; Q65-E68 PolarHBondContact O-N 3.04Å; Q65-I69 WeakPolarHBondContact O-CD1 3.43Å; Q65-I69 VanDerWaalsContact O-CG1 3.29Å; Q65-I69 WeakPolarHBondContact O-CG1 3.38Å; Q65-I69 PolarHBondContact O-N 2.8Å; Q65-I69 VanDerWaalsContact O-N 3.14Å; Q65-R341 VanDerWaalsContact OE1-NH2 3.1Å
66	R	77.3	Confident	74.3	Confident	144 Å²	144	77.4 Å²	77.4	54%	0.543	38%	0.382	S	S	.	.	H	α-helix	trans	-66.3	-40.6	177.4	-72.4	168	-175.8	-98.5	4.1	111.7	S62 W63 L64 I69 L70	S62-R66 WeakPolarHBondContact O-CD 3.34Å; S62-R66 VanDerWaalsContact O-CG 3.27Å; S62-R66 WeakPolarHBondContact O-CG 3.14Å; S62-R66 PolarHBondContact O-N 3.41Å; W63-R66 PolarHBondContact O-N 3.38Å; L64-R66 VanDerWaalsContact C-N 3.33Å; L64-R66 PolarHBondContact O-N 2.83Å; R66-I69 PolarHBondContact O-N 3.19Å; R66-L70 WeakPolarHBondContact O-CG 3.03Å; R66-L70 PolarHBondContact O-N 3.29Å; R66-L70 VanDerWaalsContact O-N 3.11Å
67	L	76	Confident	75.6	Confident	55 Å²	55	77.2 Å²	77.2	29%	0.288	38%	0.382	S	S	.	.	H	α-helix	trans	-65.6	-41.3	177.4	-175	59	0	0	0	111.5	W63 L64 I69 L70 I71 L145	W63-L67 HydrophobicContact CH2-CD2 3.58Å; W63-L67 HydrophobicContact CZ2-CD2 4.02Å; W63-L67 HydrophobicContact CZ3-CD2 3.92Å; W63-L67 PolarHBondContact O-N 3.43Å; L64-L67 PolarHBondContact O-N 3.31Å; L67-I69 PolarHBondContact O-N 3.44Å; L67-L70 PolarHBondContact O-N 2.76Å; L67-I71 HydrophobicContact CD1-CD1 4.4Å; L67-I71 HydrophobicContact CG-CD1 4.17Å; L67-I71 WeakPolarHBondContact O-CG1 3.28Å; L67-I71 PolarHBondContact O-N 2.87Å; L67-L145 HydrophobicContact CD2-CD1 4.16Å; L67-L145 HydrophobicContact CG-CD2 4.36Å
68	E	77.4	Confident	76.9	Confident	67 Å²	67	75.4 Å²	75.4	31%	0.313	38%	0.375	S	S	.	.	H	α-helix	trans	-60.4	-44	176.1	-160	-164.7	157.8	0	0	112.2	L64 Q65 L70 I71 K72 L145	L64-E68 WeakPolarHBondContact O-CB 3.47Å; L64-E68 PolarHBondContact O-N 2.66Å; Q65-E68 PolarHBondContact O-N 3.04Å; E68-L70 VanDerWaalsContact C-N 3.35Å; E68-L70 PolarHBondContact O-N 3.38Å; E68-I71 PolarHBondContact O-N 2.9Å; E68-K72 HydrophobicContact CG-CD 4.33Å; E68-K72 WeakPolarHBondContact O-CB 3.44Å; E68-K72 WeakPolarHBondContact O-CG 3.44Å; E68-K72 PolarHBondContact O-N 3.26Å; E68-K72 VanDerWaalsContact OE1-CE 3.25Å; E68-K72 WeakPolarHBondContact OE1-CE 3.41Å; E68-K72 IonicContact OE1-NZ 3.25Å; E68-K72 PolarHBondContact OE1-NZ 3.3Å; E68-L145 HydrophobicContact CB-CD2 3.82Å; E68-L145 HydrophobicContact CG-CD2 4.08Å
69	I	80.8	Confident	78	Confident	115 Å²	115	76.8 Å²	76.8	59%	0.59	38%	0.375	S	S	*	.	H	α-helix	trans	-62.3	-42.1	176.1	-68.8	164.9	0	0	0	111	Q65 R66 L67 K72 S73	Q65-I69 WeakPolarHBondContact O-CD1 3.43Å; Q65-I69 VanDerWaalsContact O-CG1 3.29Å; Q65-I69 WeakPolarHBondContact O-CG1 3.38Å; Q65-I69 PolarHBondContact O-N 2.8Å; Q65-I69 VanDerWaalsContact O-N 3.14Å; R66-I69 PolarHBondContact O-N 3.19Å; L67-I69 PolarHBondContact O-N 3.44Å; I69-K72 PolarHBondContact O-N 2.83Å; I69-S73 PolarHBondContact O-N 2.04Å
70	L	80.7	Confident	79.3	Confident	108 Å²	108	74.3 Å²	74.3	57%	0.565	37%	0.367	S	S	*	.	H	α-helix	trans	-65.1	-45.3	178.1	-72.5	168.9	0	0	0	112	R66 L67 E68 S73 L74	R66-L70 WeakPolarHBondContact O-CG 3.03Å; R66-L70 PolarHBondContact O-N 3.29Å; R66-L70 VanDerWaalsContact O-N 3.11Å; L67-L70 PolarHBondContact O-N 2.76Å; E68-L70 VanDerWaalsContact C-N 3.35Å; E68-L70 PolarHBondContact O-N 3.38Å; L70-S73 PolarHBondContact O-N 3.35Å; L70-L74 WeakPolarHBondContact O-CG 3.18Å; L70-L74 PolarHBondContact O-N 3.28Å
71	I	78.8	Confident	80.3	Confident	10 Å²	10	73.8 Å²	73.8	5%	0.051	37%	0.366	C	S	.	.	H	α-helix	trans	-61.1	-46.4	176.3	-68.3	172.4	0	0	0	110.4	L67 E68 S73 L74 E75 L138 L141 R142 L145	L67-I71 HydrophobicContact CD1-CD1 4.4Å; L67-I71 HydrophobicContact CG-CD1 4.17Å; L67-I71 WeakPolarHBondContact O-CG1 3.28Å; L67-I71 PolarHBondContact O-N 2.87Å; E68-I71 PolarHBondContact O-N 2.9Å; I71-S73 VanDerWaalsContact C-N 3.33Å; I71-S73 PolarHBondContact O-N 3.14Å; I71-L74 PolarHBondContact O-N 3.31Å; I71-E75 WeakPolarHBondContact O-CG 3.44Å; I71-E75 PolarHBondContact O-N 3Å; I71-L138 HydrophobicContact CG2-CD2 4.49Å; I71-L141 HydrophobicContact CD1-CB 4.11Å; I71-R142 HydrophobicContact CG2-CB 4.46Å; I71-L145 HydrophobicContact CD1-CD2 3.92Å
72	K	82.4	Confident	81.2	Confident	91 Å²	91	73.9 Å²	73.9	40%	0.396	36%	0.362	S	S	.	.	H	α-helix	trans	-59.8	-38.5	176	-77.2	170.6	169.2	173.2	0	113	E68 I69 V76	E68-K72 HydrophobicContact CG-CD 4.33Å; E68-K72 WeakPolarHBondContact O-CB 3.44Å; E68-K72 WeakPolarHBondContact O-CG 3.44Å; E68-K72 PolarHBondContact O-N 3.26Å; E68-K72 VanDerWaalsContact OE1-CE 3.25Å; E68-K72 WeakPolarHBondContact OE1-CE 3.41Å; E68-K72 IonicContact OE1-NZ 3.25Å; E68-K72 PolarHBondContact OE1-NZ 3.3Å; I69-K72 PolarHBondContact O-N 2.83Å; K72-V76 WeakPolarHBondContact O-CG2 3.41Å; K72-V76 PolarHBondContact O-N 3.28Å
73	S	84	Confident	81.9	Confident	61 Å²	61	75.4 Å²	75.4	43%	0.427	38%	0.376	S	S	.	.	H	α-helix	trans	-64.4	-48.7	174.6	-164.7	0	0	0	0	111.2	I69 L70 I71 E75 V76 D77	I69-S73 PolarHBondContact O-N 2.04Å; L70-S73 PolarHBondContact O-N 3.35Å; I71-S73 VanDerWaalsContact C-N 3.33Å; I71-S73 PolarHBondContact O-N 3.14Å; S73-E75 VanDerWaalsContact C-N 3.33Å; S73-E75 PolarHBondContact O-N 3.4Å; S73-V76 PolarHBondContact O-N 2.85Å; S73-V76 VanDerWaalsContact O-N 3.1Å; S73-D77 PolarHBondContact O-N 3.19Å
74	L	84.1	Confident	82.4	Confident	91 Å²	91	72.6 Å²	72.6	48%	0.476	37%	0.372	S	S	.	.	H	α-helix	trans	-62.7	-36.9	179.8	-69.5	169.1	0	0	0	112.4	L70 I71 V76 L78 L138	L70-L74 WeakPolarHBondContact O-CG 3.18Å; L70-L74 PolarHBondContact O-N 3.28Å; I71-L74 PolarHBondContact O-N 3.31Å; L74-V76 VanDerWaalsContact C-N 3.34Å; L74-V76 PolarHBondContact O-N 3.46Å; L74-L78 WeakPolarHBondContact O-CB 3.41Å; L74-L78 PolarHBondContact O-N 3.35Å; L74-L138 HydrophobicContact CB-CD1 3.94Å; L74-L138 HydrophobicContact CB-CD2 3.89Å; L74-L138 HydrophobicContact CD1-CD2 4.07Å
75	E	84	Confident	83.1	Confident	17 Å²	17	72.8 Å²	72.8	8%	0.079	37%	0.374	C	S	.	.	H	α-helix	trans	-60.2	-41.4	172.1	-77.5	-178.7	-166.5	0	0	112.7	I71 S73 R79 R142	I71-E75 WeakPolarHBondContact O-CG 3.44Å; I71-E75 PolarHBondContact O-N 3Å; S73-E75 VanDerWaalsContact C-N 3.33Å; S73-E75 PolarHBondContact O-N 3.4Å; E75-R79 WeakPolarHBondContact O-CB 3.45Å; E75-R79 VanDerWaalsContact O-CG 3.23Å; E75-R79 WeakPolarHBondContact O-CG 3.25Å; E75-R79 PolarHBondContact O-N 3.18Å; E75-R79 VanDerWaalsContact O-N 3.09Å; E75-R79 IonicContact OE2-NH2 2.83Å; E75-R79 PolarHBondContact OE2-NH2 3.08Å; E75-R142 IonicContact OE1-CZ 3.3Å; E75-R142 IonicContact OE1-NH1 3.14Å; E75-R142 PolarHBondContact OE1-NH1 3Å; E75-R142 IonicContact OE2-NH1 3.14Å; E75-R142 PolarHBondContact OE2-NH1 2.92Å
76	V	87.6	Confident	83.5	Confident	90 Å²	90	73.9 Å²	73.9	55%	0.545	38%	0.381	S	S	.	.	H	α-helix	trans	-69.5	-46.4	179.6	170.6	0	0	0	0	110.7	K72 S73 L74 L78 R79 S80	K72-V76 WeakPolarHBondContact O-CG2 3.41Å; K72-V76 PolarHBondContact O-N 3.28Å; S73-V76 PolarHBondContact O-N 2.85Å; S73-V76 VanDerWaalsContact O-N 3.1Å; L74-V76 VanDerWaalsContact C-N 3.34Å; L74-V76 PolarHBondContact O-N 3.46Å; V76-L78 VanDerWaalsContact C-N 3.34Å; V76-L78 PolarHBondContact O-N 2.76Å; V76-R79 PolarHBondContact O-N 2.9Å; V76-S80 WeakPolarHBondContact O-CB 3.34Å; V76-S80 PolarHBondContact O-N 2.83Å
77	D	85.9	Confident	84.1	Confident	83 Å²	83	71.8 Å²	71.8	44%	0.444	38%	0.378	S	S	.	.	H	α-helix	trans	-61	-44	177.5	-69.1	-34	0	0	0	111.1	S73 S80 I81	S73-D77 PolarHBondContact O-N 3.19Å; D77-S80 WeakPolarHBondContact O-CB 3.47Å; D77-S80 PolarHBondContact O-N 3.32Å; D77-I81 VanDerWaalsContact O-CG1 3.29Å; D77-I81 WeakPolarHBondContact O-CG1 3.37Å; D77-I81 PolarHBondContact O-N 2.91Å
78	L	86.8	Confident	84.6	Confident	19 Å²	19	71.8 Å²	71.8	10%	0.099	38%	0.382	C	S	.	.	H	α-helix	trans	-64.9	-42.1	179.5	-169	69.1	0	0	0	112.3	L74 V76 S80 I81 Q82 L131 A134 S135 L138	L74-L78 WeakPolarHBondContact O-CB 3.41Å; L74-L78 PolarHBondContact O-N 3.35Å; V76-L78 VanDerWaalsContact C-N 3.34Å; V76-L78 PolarHBondContact O-N 2.76Å; L78-S80 VanDerWaalsContact C-N 3.33Å; L78-S80 PolarHBondContact O-N 3.27Å; L78-I81 PolarHBondContact O-N 2.65Å; L78-Q82 WeakPolarHBondContact O-CB 3.29Å; L78-Q82 PolarHBondContact O-N 3.18Å; L78-L131 HydrophobicContact CD1-CB 4.35Å; L78-L131 HydrophobicContact CD1-CD2 3.56Å; L78-A134 HydrophobicContact CD1-CB 4.3Å; L78-A134 HydrophobicContact CD2-CB 4.33Å; L78-S135 VanDerWaalsContact CD2-CA 3.45Å; L78-L138 HydrophobicContact CD2-CD1 3.94Å
79	R	85.6	Confident	85	Confident	155 Å²	155	70.7 Å²	70.7	59%	0.585	38%	0.377	S	S	*	.	H	α-helix	trans	-62.1	-40	173.8	-74.1	172.1	-170.3	159.2	14.3	111.9	E75 V76 Q82 A83	E75-R79 WeakPolarHBondContact O-CB 3.45Å; E75-R79 VanDerWaalsContact O-CG 3.23Å; E75-R79 WeakPolarHBondContact O-CG 3.25Å; E75-R79 PolarHBondContact O-N 3.18Å; E75-R79 VanDerWaalsContact O-N 3.09Å; E75-R79 IonicContact OE2-NH2 2.83Å; E75-R79 PolarHBondContact OE2-NH2 3.08Å; V76-R79 PolarHBondContact O-N 2.9Å; R79-Q82 PolarHBondContact O-N 2.69Å; R79-A83 WeakPolarHBondContact O-CB 3.46Å; R79-A83 PolarHBondContact O-N 3.41Å
80	S	88.2	Confident	85.3	Confident	64 Å²	64	66.8 Å²	66.8	45%	0.448	37%	0.366	S	S	.	.	H	α-helix	trans	-62.5	-48.5	175.7	-177.3	0	0	0	0	111.5	V76 D77 L78 Q82 A83 N84	V76-S80 WeakPolarHBondContact O-CB 3.34Å; V76-S80 PolarHBondContact O-N 2.83Å; D77-S80 WeakPolarHBondContact O-CB 3.47Å; D77-S80 PolarHBondContact O-N 3.32Å; L78-S80 VanDerWaalsContact C-N 3.33Å; L78-S80 PolarHBondContact O-N 3.27Å; S80-Q82 VanDerWaalsContact C-N 3.35Å; S80-Q82 PolarHBondContact O-N 3.35Å; S80-A83 PolarHBondContact O-N 3.2Å; S80-N84 VanDerWaalsContact O-CG 3.32Å; S80-N84 PolarHBondContact O-N 2.69Å; S80-N84 PolarHBondContact O-ND2 2.9Å
81	I	83.7	Confident	85.7	Confident	90 Å²	90	68.1 Å²	68.1	46%	0.462	36%	0.364	S	S	.	.	H	α-helix	trans	-60.8	-43.5	177.2	-66.4	163.1	0	0	0	111	D77 L78 N84 S85 L131	D77-I81 VanDerWaalsContact O-CG1 3.29Å; D77-I81 WeakPolarHBondContact O-CG1 3.37Å; D77-I81 PolarHBondContact O-N 2.91Å; L78-I81 PolarHBondContact O-N 2.65Å; I81-N84 PolarHBondContact O-N 3.27Å; I81-S85 WeakPolarHBondContact O-CB 3.27Å; I81-S85 PolarHBondContact O-N 3.49Å; I81-L131 HydrophobicContact CG2-CD1 3.88Å; I81-L131 HydrophobicContact CG2-CD2 3.71Å; I81-L131 HydrophobicContact CG2-CG 4.49Å
82	Q	86.6	Confident	86	Confident	45 Å²	45	69 Å²	69	21%	0.21	37%	0.369	C	S	.	.	H	α-helix	trans	-65.7	-40.3	179.2	-167.1	168.6	28.1	0	0	112.5	L78 R79 S80 S85 L86 D128	L78-Q82 WeakPolarHBondContact O-CB 3.29Å; L78-Q82 PolarHBondContact O-N 3.18Å; R79-Q82 PolarHBondContact O-N 2.69Å; S80-Q82 VanDerWaalsContact C-N 3.35Å; S80-Q82 PolarHBondContact O-N 3.35Å; Q82-S85 WeakPolarHBondContact O-CB 3.42Å; Q82-S85 PolarHBondContact O-N 2.9Å; Q82-L86 HydrophobicContact CG-CD1 4.36Å; Q82-L86 WeakPolarHBondContact O-CG 3.36Å; Q82-L86 PolarHBondContact O-N 3.36Å; Q82-D128 PolarHBondContact NE2-OD1 3.13Å
83	A	85.8	Confident	86.2	Confident	55 Å²	55	68.7 Å²	68.7	46%	0.455	37%	0.374	S	S	.	.	H	α-helix	trans	-61.2	-44.4	174.1	0	0	0	0	0	112.1	R79 S80 S85 L86 Q87	R79-A83 WeakPolarHBondContact O-CB 3.46Å; R79-A83 PolarHBondContact O-N 3.41Å; S80-A83 PolarHBondContact O-N 3.2Å; A83-S85 VanDerWaalsContact C-N 3.34Å; A83-S85 PolarHBondContact O-N 3.15Å; A83-L86 PolarHBondContact O-N 3.11Å; A83-Q87 WeakPolarHBondContact O-CB 3.45Å; A83-Q87 PolarHBondContact O-N 3.3Å
84	N	86.5	Confident	86.5	Confident	85 Å²	85	71.2 Å²	71.2	46%	0.455	38%	0.379	S	S	.	.	H	α-helix	trans	-64.7	-36.5	176.4	-68.6	-38.8	0	0	0	112.4	S80 I81 S88	S80-N84 VanDerWaalsContact O-CG 3.32Å; S80-N84 PolarHBondContact O-N 2.69Å; S80-N84 PolarHBondContact O-ND2 2.9Å; I81-N84 PolarHBondContact O-N 3.27Å; N84-S88 WeakPolarHBondContact O-CB 3.22Å; N84-S88 PolarHBondContact O-N 3.41Å; N84-S88 PolarHBondContact O-OG 3.21Å
85	S	86.6	Confident	86.6	Confident	14 Å²	14	70.5 Å²	70.5	10%	0.098	38%	0.376	C	S	.	.	H	α-helix	trans	-63.6	-49.9	175	-169.9	0	0	0	0	111.5	I81 Q82 A83 Q87 S88 E89	I81-S85 WeakPolarHBondContact O-CB 3.27Å; I81-S85 PolarHBondContact O-N 3.49Å; Q82-S85 WeakPolarHBondContact O-CB 3.42Å; Q82-S85 PolarHBondContact O-N 2.9Å; A83-S85 VanDerWaalsContact C-N 3.34Å; A83-S85 PolarHBondContact O-N 3.15Å; S85-Q87 PolarHBondContact O-N 2.96Å; S85-S88 WeakPolarHBondContact O-CB 3.44Å; S85-S88 PolarHBondContact O-N 3.37Å; S85-S88 VanDerWaalsContact O-N 3.1Å; S85-E89 PolarHBondContact O-N 3.41Å
86	L	85.9	Confident	86.8	Confident	92 Å²	92	72.6 Å²	72.6	48%	0.482	39%	0.387	S	S	.	.	H	α-helix	trans	-60.9	-41.6	177.8	-71.7	167.4	0	0	0	112.3	Q82 A83 S88 E89 G90	Q82-L86 HydrophobicContact CG-CD1 4.36Å; Q82-L86 WeakPolarHBondContact O-CG 3.36Å; Q82-L86 PolarHBondContact O-N 3.36Å; A83-L86 PolarHBondContact O-N 3.11Å; L86-S88 VanDerWaalsContact C-N 3.32Å; L86-S88 PolarHBondContact O-N 2.85Å; L86-E89 PolarHBondContact O-N 3.14Å; L86-G90 PolarHBondContact O-N 3.48Å
87	Q	88.8	Confident	86.7	Confident	101 Å²	101	73.7 Å²	73.7	47%	0.472	39%	0.39	S	S	.	.	H	α-helix	trans	-62.8	-40.6	174.6	-172.9	-179	-5.5	0	0	111.5	A83 S85 G90 Y91	A83-Q87 WeakPolarHBondContact O-CB 3.45Å; A83-Q87 PolarHBondContact O-N 3.3Å; S85-Q87 PolarHBondContact O-N 2.96Å; Q87-G90 PolarHBondContact O-N 2.91Å; Q87-Y91 HydrophobicContact CG-CD2 4.19Å; Q87-Y91 HydrophobicContact CG-CE2 3.61Å; Q87-Y91 PolarHBondContact NE2-OH 3.28Å; Q87-Y91 VanDerWaalsContact NE2-OH 3.11Å; Q87-Y91 VanDerWaalsContact O-CD2 3.23Å; Q87-Y91 WeakPolarHBondContact O-CD2 3.3Å; Q87-Y91 PolarHBondContact O-N 3.07Å; Q87-Y91 VanDerWaalsContact O-N 3.13Å
88	S	86.6	Confident	86.7	Confident	54 Å²	54	78 Å²	78	38%	0.378	40%	0.4	S	S	.	.	H	α-helix	trans	-65.9	-41.5	177.8	-59.2	0	0	0	0	112.3	N84 S85 L86 G90 Y91 L92	N84-S88 WeakPolarHBondContact O-CB 3.22Å; N84-S88 PolarHBondContact O-N 3.41Å; N84-S88 PolarHBondContact O-OG 3.21Å; S85-S88 WeakPolarHBondContact O-CB 3.44Å; S85-S88 PolarHBondContact O-N 3.37Å; S85-S88 VanDerWaalsContact O-N 3.1Å; L86-S88 VanDerWaalsContact C-N 3.32Å; L86-S88 PolarHBondContact O-N 2.85Å; S88-G90 VanDerWaalsContact C-N 3.35Å; S88-Y91 PolarHBondContact O-N 2.98Å; S88-L92 PolarHBondContact O-N 3.07Å; S88-L92 VanDerWaalsContact O-N 3.13Å
89	E	86.2	Confident	86.6	Confident	45 Å²	45	78.1 Å²	78.1	21%	0.21	40%	0.4	C	S	.	.	H	α-helix	trans	-61.7	-43.6	173.7	-173.1	174.8	-156.5	0	0	111.2	S85 L86 Y91 L92 V93 R125	S85-E89 PolarHBondContact O-N 3.41Å; L86-E89 PolarHBondContact O-N 3.14Å; E89-Y91 VanDerWaalsContact C-N 3.33Å; E89-Y91 PolarHBondContact O-N 3.1Å; E89-L92 PolarHBondContact O-N 3.43Å; E89-L92 VanDerWaalsContact O-N 3.11Å; E89-V93 HydrophobicContact CG-CG2 4.49Å; E89-V93 WeakPolarHBondContact O-CG2 3.34Å; E89-V93 PolarHBondContact O-N 2.87Å; E89-R125 VanDerWaalsContact OE1-CD 3.31Å; E89-R125 WeakPolarHBondContact OE1-CD 3.39Å; E89-R125 WeakPolarHBondContact OE1-CG 3.2Å; E89-R125 IonicContact OE1-CZ 2.7Å; E89-R125 IonicContact OE1-NE 3.66Å; E89-R125 IonicContact OE1-NH1 2.71Å; E89-R125 PolarHBondContact OE1-NH1 2.89Å
90	G	86.3	Confident	86.4	Confident	33 Å²	33	73.6 Å²	73.6	34%	0.34	39%	0.393	S	S	.	.	H	α-helix	trans	-57.3	-41.2	176.3	0	0	0	0	0	113.7	L86 Q87 S88 Q94	L86-G90 PolarHBondContact O-N 3.48Å; Q87-G90 PolarHBondContact O-N 2.91Å; S88-G90 VanDerWaalsContact C-N 3.35Å; G90-Q94 WeakPolarHBondContact O-CG 3.49Å; G90-Q94 PolarHBondContact O-N 3Å
91	Y	88.6	Confident	86.2	Confident	136 Å²	136	73.3 Å²	73.3	53%	0.533	39%	0.391	S	S	.	.	H	α-helix	trans	-66.4	-39.8	174	-71.6	-54.3	0	0	0	112.9	Q87 S88 E89 Q94 L95	Q87-Y91 HydrophobicContact CG-CD2 4.19Å; Q87-Y91 HydrophobicContact CG-CE2 3.61Å; Q87-Y91 PolarHBondContact NE2-OH 3.28Å; Q87-Y91 VanDerWaalsContact NE2-OH 3.11Å; Q87-Y91 VanDerWaalsContact O-CD2 3.23Å; Q87-Y91 WeakPolarHBondContact O-CD2 3.3Å; Q87-Y91 PolarHBondContact O-N 3.07Å; Q87-Y91 VanDerWaalsContact O-N 3.13Å; S88-Y91 PolarHBondContact O-N 2.98Å; E89-Y91 VanDerWaalsContact C-N 3.33Å; E89-Y91 PolarHBondContact O-N 3.1Å; Y91-Q94 PolarHBondContact O-N 3.06Å; Y91-L95 WeakPolarHBondContact O-CB 3.47Å; Y91-L95 PolarHBondContact O-N 3.21Å
92	L	86.6	Confident	86.1	Confident	29 Å²	29	73.7 Å²	73.7	15%	0.152	39%	0.389	C	S	.	.	H	α-helix	trans	-66.3	-38	178	-69.1	-179.9	0	0	0	112.2	S88 E89 L95 D96 V117 T120 L124	S88-L92 PolarHBondContact O-N 3.07Å; S88-L92 VanDerWaalsContact O-N 3.13Å; E89-L92 PolarHBondContact O-N 3.43Å; E89-L92 VanDerWaalsContact O-N 3.11Å; L92-L95 PolarHBondContact O-N 2.91Å; L92-D96 PolarHBondContact O-N 3.44Å; L92-V117 HydrophobicContact CB-CG1 4.36Å; L92-V117 HydrophobicContact CD2-CG1 4.37Å; L92-T120 HydrophobicContact CD1-CG2 3.77Å; L92-L124 HydrophobicContact CD1-CD1 3.69Å
93	V	86.9	Confident	85.7	Confident	84 Å²	84	73.7 Å²	73.7	51%	0.509	39%	0.394	S	S	.	.	H	α-helix	trans	-62.7	-44.2	174.5	173	0	0	0	0	111.1	E89 L95 D96 D97	E89-V93 HydrophobicContact CG-CG2 4.49Å; E89-V93 WeakPolarHBondContact O-CG2 3.34Å; E89-V93 PolarHBondContact O-N 2.87Å; V93-L95 VanDerWaalsContact C-N 3.3Å; V93-L95 PolarHBondContact O-N 2.62Å; V93-D96 PolarHBondContact O-N 3.22Å; V93-D97 PolarHBondContact O-N 3.1Å
94	Q	88.6	Confident	85.3	Confident	114 Å²	114	75.9 Å²	75.9	53%	0.533	41%	0.406	S	S	.	.	H	α-helix	trans	-65.5	-32.3	174.9	-69.6	-178.9	13.6	0	0	113	G90 Y91 R98	G90-Q94 WeakPolarHBondContact O-CG 3.49Å; G90-Q94 PolarHBondContact O-N 3Å; Y91-Q94 PolarHBondContact O-N 3.06Å; Q94-R98 WeakPolarHBondContact O-CB 3.34Å; Q94-R98 VanDerWaalsContact O-CG 3.26Å; Q94-R98 WeakPolarHBondContact O-CG 3.49Å; Q94-R98 PolarHBondContact O-N 3.09Å
95	L	87.3	Confident	84.7	Confident	76 Å²	76	76.9 Å²	76.9	40%	0.398	42%	0.42	S	S	.	.	H	α-helix	trans	-70.7	-42.2	176.4	-176.9	61.6	0	0	0	111.3	Y91 L92 V93 R98 L99 V117	Y91-L95 WeakPolarHBondContact O-CB 3.47Å; Y91-L95 PolarHBondContact O-N 3.21Å; L92-L95 PolarHBondContact O-N 2.91Å; V93-L95 VanDerWaalsContact C-N 3.3Å; V93-L95 PolarHBondContact O-N 2.62Å; L95-R98 PolarHBondContact O-N 2.85Å; L95-L99 HydrophobicContact CD1-CD1 4.29Å; L95-L99 HydrophobicContact CD1-CG 4.34Å; L95-L99 HydrophobicContact CG-CD1 3.96Å; L95-L99 HydrophobicContact CG-CG 4.44Å; L95-L99 WeakPolarHBondContact O-CB 3.49Å; L95-L99 VanDerWaalsContact O-CG 3.23Å; L95-L99 WeakPolarHBondContact O-CG 3.3Å; L95-L99 PolarHBondContact O-N 3.5Å; L95-V117 HydrophobicContact CD2-CG2 3.81Å; L95-V117 HydrophobicContact CG-CG2 4.27Å
96	D	87.1	Confident	83.8	Confident	60 Å²	60	78.2 Å²	78.2	32%	0.321	43%	0.432	S	S	.	.	H	α-helix	trans	-63.8	-41.7	178.7	-165	57.8	0	0	0	112.4	L92 V93 L99 S100 V117	L92-D96 PolarHBondContact O-N 3.44Å; V93-D96 PolarHBondContact O-N 3.22Å; D96-L99 PolarHBondContact O-N 3.32Å; D96-S100 VanDerWaalsContact O-CB 3.3Å; D96-S100 WeakPolarHBondContact O-CB 3.28Å; D96-S100 PolarHBondContact O-N 3.48Å; D96-S100 PolarHBondContact O-OG 2.92Å; D96-V117 HydrophobicContact CB-CG1 3.95Å
97	D	86.4	Confident	82.8	Confident	113 Å²	113	77.3 Å²	77.3	60%	0.604	45%	0.445	S	S	*	.	H	α-helix	trans	-63.8	-42.6	174.2	-178.2	58	0	0	0	112.3	V93 S100 S101	V93-D97 PolarHBondContact O-N 3.1Å; D97-S100 PolarHBondContact O-N 3.38Å; D97-S101 WeakPolarHBondContact O-CB 3.34Å; D97-S101 PolarHBondContact O-N 2.97Å; D97-S101 PolarHBondContact O-OG 3.24Å
98	R	85.9	Confident	81.7	Confident	174 Å²	174	80.1 Å²	80.1	66%	0.657	45%	0.451	S	S	*	.	H	α-helix	trans	-64.9	-38	174.2	-75.7	174.1	179.9	-101.5	2.3	112.8	Q94 L95 S101 F102	Q94-R98 WeakPolarHBondContact O-CB 3.34Å; Q94-R98 VanDerWaalsContact O-CG 3.26Å; Q94-R98 WeakPolarHBondContact O-CG 3.49Å; Q94-R98 PolarHBondContact O-N 3.09Å; L95-R98 PolarHBondContact O-N 2.85Å; R98-S101 WeakPolarHBondContact CA-OG 3.49Å; R98-S101 PolarHBondContact O-OG 2.62Å; R98-S101 VanDerWaalsContact O-OG 3.14Å; R98-F102 VanDerWaalsContact O-CB 3.25Å; R98-F102 WeakPolarHBondContact O-CB 3.22Å; R98-F102 PolarHBondContact O-N 3.24Å
99	L	84.1	Confident	80.8	Confident	21 Å²	21	83.9 Å²	83.9	11%	0.11	47%	0.467	C	S	.	.	H	α-helix	trans	-70	-39.3	176.1	-72.1	169.3	0	0	0	111.5	L95 D96 F102 S103 L110 L113 V117	L95-L99 HydrophobicContact CD1-CD1 4.29Å; L95-L99 HydrophobicContact CD1-CG 4.34Å; L95-L99 HydrophobicContact CG-CD1 3.96Å; L95-L99 HydrophobicContact CG-CG 4.44Å; L95-L99 WeakPolarHBondContact O-CB 3.49Å; L95-L99 VanDerWaalsContact O-CG 3.23Å; L95-L99 WeakPolarHBondContact O-CG 3.3Å; L95-L99 PolarHBondContact O-N 3.5Å; D96-L99 PolarHBondContact O-N 3.32Å; L99-F102 PolarHBondContact O-N 3.15Å; L99-S103 WeakPolarHBondContact O-CB 3.1Å; L99-S103 PolarHBondContact O-N 2.89Å; L99-L110 HydrophobicContact CD2-CD1 4.14Å; L99-L113 HydrophobicContact CD1-CD2 3.93Å; L99-L113 HydrophobicContact CD1-CG 4.49Å; L99-L113 HydrophobicContact CD2-CD2 3.63Å; L99-L113 HydrophobicContact CG-CD2 4.46Å; L99-V117 HydrophobicContact CD1-CG2 3.95Å
100	S	82.9	Confident	80.2	Confident	61 Å²	61	84 Å²	84	43%	0.427	47%	0.469	S	S	.	.	H	α-helix	trans	-65.6	-44.7	177.5	-64.9	0	0	0	0	112.2	D96 D97 S104	D96-S100 VanDerWaalsContact O-CB 3.3Å; D96-S100 WeakPolarHBondContact O-CB 3.28Å; D96-S100 PolarHBondContact O-N 3.48Å; D96-S100 PolarHBondContact O-OG 2.92Å; D97-S100 PolarHBondContact O-N 3.38Å; S100-S104 PolarHBondContact O-N 3.05Å; S100-S104 PolarHBondContact O-OG 2.83Å
101	S	83.3	Confident	79.8	Confident	58 Å²	58	86.3 Å²	86.3	41%	0.406	48%	0.476	S	S	.	.	H	α-helix	trans	-69.3	-35.9	175.5	52.4	0	0	0	0	113.3	D97 R98 S104 S105	D97-S101 WeakPolarHBondContact O-CB 3.34Å; D97-S101 PolarHBondContact O-N 2.97Å; D97-S101 PolarHBondContact O-OG 3.24Å; R98-S101 WeakPolarHBondContact CA-OG 3.49Å; R98-S101 PolarHBondContact O-OG 2.62Å; R98-S101 VanDerWaalsContact O-OG 3.14Å; S101-S104 PolarHBondContact O-OG 2.83Å; S101-S104 VanDerWaalsContact O-OG 3.04Å; S101-S105 VanDerWaalsContact O-CB 3.31Å; S101-S105 WeakPolarHBondContact O-CB 3.39Å; S101-S105 PolarHBondContact O-N 2.72Å; S101-S105 VanDerWaalsContact O-N 3.07Å
102	F	81.1	Confident	79.5	Confident	97 Å²	97	85.5 Å²	85.5	43%	0.425	49%	0.485	S	S	.	.	H	α-helix	trans	-72.2	-37.7	174.5	-173.9	-90.9	0	0	0	112.6	R98 L99 S104 S105 A106 L110	R98-F102 VanDerWaalsContact O-CB 3.25Å; R98-F102 WeakPolarHBondContact O-CB 3.22Å; R98-F102 PolarHBondContact O-N 3.24Å; L99-F102 PolarHBondContact O-N 3.15Å; F102-S104 PolarHBondContact O-N 2.75Å; F102-S105 PolarHBondContact O-N 2.88Å; F102-A106 HydrophobicContact CD1-CB 4.16Å; F102-A106 HydrophobicContact CE1-CB 3.85Å; F102-A106 HydrophobicContact CE2-CB 4.26Å; F102-A106 HydrophobicContact CZ-CB 3.9Å; F102-A106 VanDerWaalsContact O-CB 3.24Å; F102-A106 WeakPolarHBondContact O-CB 3.04Å; F102-A106 PolarHBondContact O-N 2.83Å; F102-L110 HydrophobicContact CD1-CD1 3.61Å; F102-L110 HydrophobicContact CE1-CD1 4.19Å
103	S	78.4	Confident	79.2	Confident	45 Å²	45	88.6 Å²	88.6	32%	0.315	50%	0.501	S	S	.	.	H	α-helix	trans	-57.8	-47	174.5	-176.9	0	0	0	0	111.5	L99 G107 R108	L99-S103 WeakPolarHBondContact O-CB 3.1Å; L99-S103 PolarHBondContact O-N 2.89Å; S103-G107 PolarHBondContact O-N 3.3Å; S103-R108 PolarHBondContact OG-O 2.88Å
104	S	76.9	Confident	79	Confident	101 Å²	101	86.3 Å²	86.3	71%	0.706	49%	0.489	S	S	*	.	H	α-helix	trans	-71.5	-34.1	178.9	61.7	0	0	0	0	113.7	S100 S101 F102	S100-S104 PolarHBondContact O-N 3.05Å; S100-S104 PolarHBondContact O-OG 2.83Å; S101-S104 PolarHBondContact O-OG 2.83Å; S101-S104 VanDerWaalsContact O-OG 3.04Å; F102-S104 PolarHBondContact O-N 2.75Å
105	S	74.1	Confident	78.8	Confident	107 Å²	107	84.4 Å²	84.4	75%	0.748	49%	0.485	S	S	*	.	H	α-helix	trans	-79.3	-36.7	179.2	178.3	0	0	0	0	114	S101 F102	S101-S105 VanDerWaalsContact O-CB 3.31Å; S101-S105 WeakPolarHBondContact O-CB 3.39Å; S101-S105 PolarHBondContact O-N 2.72Å; S101-S105 VanDerWaalsContact O-N 3.07Å; F102-S105 PolarHBondContact O-N 2.88Å
106	A	68.6	Low	78.8	Confident	41 Å²	41	84.9 Å²	84.9	34%	0.339	49%	0.485	S	S	.	.	H	α-helix	trans	-97.2	-6.5	-172.3	0	0	0	0	0	114.5	F102 R108	F102-A106 HydrophobicContact CD1-CB 4.16Å; F102-A106 HydrophobicContact CE1-CB 3.85Å; F102-A106 HydrophobicContact CE2-CB 4.26Å; F102-A106 HydrophobicContact CZ-CB 3.9Å; F102-A106 VanDerWaalsContact O-CB 3.24Å; F102-A106 WeakPolarHBondContact O-CB 3.04Å; F102-A106 PolarHBondContact O-N 2.83Å; A106-R108 HydrophobicContact CB-CB 4.46Å; A106-R108 HydrophobicContact CB-CG 4.1Å; A106-R108 PolarHBondContact O-N 2.99Å
107	G	63.8	Low	78.8	Confident	73 Å²	73	82.6 Å²	82.6	75%	0.753	47%	0.473	S	S	*	.			trans	63.3	19.1	-176.1	0	0	0	0	0	114.1	S103	S103-G107 PolarHBondContact O-N 3.3Å
108	R	66.1	Low	78.8	Confident	161 Å²	161	79 Å²	79	61%	0.608	46%	0.46	S	S	*	.			trans	-97.4	128.3	-175.7	-70.1	178.4	-179	-175.8	1.6	110.5	S103 A106 L110	S103-R108 PolarHBondContact OG-O 2.88Å; A106-R108 HydrophobicContact CB-CB 4.46Å; A106-R108 HydrophobicContact CB-CG 4.1Å; A106-R108 PolarHBondContact O-N 2.99Å; R108-L110 PolarHBondContact O-N 3.39Å
109	N	67.1	Low	79	Confident	132 Å²	132	77 Å²	77	71%	0.706	45%	0.452	S	S	*	.			trans	-73.3	93.5	176.9	-173	-6	0	0	0	111.3	T111	N109-T111 WeakPolarHBondContact OD1-CB 3.49Å; N109-T111 WeakPolarHBondContact OD1-CG2 3.35Å; N109-T111 PolarHBondContact OD1-N 3.32Å; N109-T111 PolarHBondContact OD1-OG1 2.77Å
110	L	74.9	Confident	79.1	Confident	49 Å²	49	78.7 Å²	78.7	26%	0.257	46%	0.464	S	S	.	.			trans	-95.5	14.7	178.9	-76.6	176.4	0	0	0	114.4	L99 F102 R108 V112 L113 S114	L99-L110 HydrophobicContact CD2-CD1 4.14Å; F102-L110 HydrophobicContact CD1-CD1 3.61Å; F102-L110 HydrophobicContact CE1-CD1 4.19Å; R108-L110 PolarHBondContact O-N 3.39Å; L110-V112 PolarHBondContact O-N 2.81Å; L110-V112 VanDerWaalsContact O-N 3.07Å; L110-L113 PolarHBondContact O-N 2.02Å; L110-S114 PolarHBondContact O-N 3.2Å
111	T	77.4	Confident	79.3	Confident	80 Å²	80	76.4 Å²	76.4	49%	0.491	45%	0.447	S	S	.	.	H	α-helix	trans	-51.8	-34.2	-173.5	46	0	0	0	0	115.2	N109 L113 S114 V115	N109-T111 WeakPolarHBondContact OD1-CB 3.49Å; N109-T111 WeakPolarHBondContact OD1-CG2 3.35Å; N109-T111 PolarHBondContact OD1-N 3.32Å; N109-T111 PolarHBondContact OD1-OG1 2.77Å; T111-L113 PolarHBondContact O-N 3.39Å; T111-S114 PolarHBondContact O-OG 2.86Å; T111-V115 WeakPolarHBondContact O-CB 3.06Å; T111-V115 WeakPolarHBondContact O-CG2 3.4Å; T111-V115 PolarHBondContact O-N 2.88Å; T111-V115 VanDerWaalsContact O-N 3.08Å
112	V	81.1	Confident	79.5	Confident	119 Å²	119	80.2 Å²	80.2	72%	0.721	45%	0.453	S	S	*	.	H	α-helix	trans	-64.1	-40.3	177.2	-180	0	0	0	0	111.6	L110 E116	L110-V112 PolarHBondContact O-N 2.81Å; L110-V112 VanDerWaalsContact O-N 3.07Å; V112-E116 PolarHBondContact O-N 2.77Å
113	L	81.6	Confident	79.9	Confident	94 Å²	94	82.5 Å²	82.5	49%	0.492	46%	0.459	S	S	.	.	H	α-helix	trans	-75.5	-39.9	-176.1	-143.3	83.8	0	0	0	111.8	L99 L110 T111 E116 V117	L99-L113 HydrophobicContact CD1-CD2 3.93Å; L99-L113 HydrophobicContact CD1-CG 4.49Å; L99-L113 HydrophobicContact CD2-CD2 3.63Å; L99-L113 HydrophobicContact CG-CD2 4.46Å; L110-L113 PolarHBondContact O-N 2.02Å; T111-L113 PolarHBondContact O-N 3.39Å; L113-E116 PolarHBondContact O-N 3.41Å; L113-V117 WeakPolarHBondContact O-CG2 3.43Å; L113-V117 PolarHBondContact O-N 2.83Å
114	S	82.3	Confident	80.3	Confident	36 Å²	36	81.3 Å²	81.3	25%	0.252	45%	0.449	S	S	.	.	H	α-helix	trans	-68.7	-36.2	176.1	58.4	0	0	0	0	112.3	L110 T111 E116 V117 A118	L110-S114 PolarHBondContact O-N 3.2Å; T111-S114 PolarHBondContact O-OG 2.86Å; S114-E116 VanDerWaalsContact C-N 3.28Å; S114-E116 PolarHBondContact O-N 3.4Å; S114-V117 PolarHBondContact O-N 2.79Å; S114-A118 VanDerWaalsContact O-CB 3.23Å; S114-A118 WeakPolarHBondContact O-CB 3.35Å; S114-A118 PolarHBondContact O-N 2.56Å
115	V	85.5	Confident	80.6	Confident	74 Å²	74	81.4 Å²	81.4	45%	0.448	43%	0.434	S	S	.	.	H	α-helix	trans	-61.5	-37.2	172.4	166.8	0	0	0	0	111.7	T111 R119	T111-V115 WeakPolarHBondContact O-CB 3.06Å; T111-V115 WeakPolarHBondContact O-CG2 3.4Å; T111-V115 PolarHBondContact O-N 2.88Å; T111-V115 VanDerWaalsContact O-N 3.08Å; V115-R119 WeakPolarHBondContact O-CB 3.34Å; V115-R119 PolarHBondContact O-N 2.88Å
116	E	86.5	Confident	81.3	Confident	86 Å²	86	81.4 Å²	81.4	40%	0.402	43%	0.425	S	S	.	.	H	α-helix	trans	-69.9	-48.4	176.5	-156.3	61.3	-117	0	0	111.7	V112 L113 S114 A118 R119 T120	V112-E116 PolarHBondContact O-N 2.77Å; L113-E116 PolarHBondContact O-N 3.41Å; S114-E116 VanDerWaalsContact C-N 3.28Å; S114-E116 PolarHBondContact O-N 3.4Å; E116-A118 VanDerWaalsContact C-N 3.3Å; E116-A118 PolarHBondContact O-N 3.25Å; E116-R119 WeakPolarHBondContact O-CA 3.38Å; E116-R119 WeakPolarHBondContact O-CB 3.45Å; E116-R119 PolarHBondContact O-N 3.12Å; E116-R119 IonicContact OE1-CZ 3.64Å; E116-R119 IonicContact OE1-NH1 3.96Å; E116-R119 PolarHBondContact OE1-NH1 2.84Å; E116-R119 IonicContact OE2-CZ 3.7Å; E116-R119 IonicContact OE2-NH1 3.06Å; E116-R119 PolarHBondContact OE2-NH1 3Å; E116-T120 PolarHBondContact O-N 3.12Å; E116-T120 PolarHBondContact O-OG1 3.31Å
117	V	87.4	Confident	82.1	Confident	12 Å²	12	83.1 Å²	83.1	7%	0.073	43%	0.426	C	S	.	.	H	α-helix	trans	-56.9	-43.6	175.4	171.9	0	0	0	0	111.3	L92 L95 D96 L99 L113 S114 R119 T120 S121	L92-V117 HydrophobicContact CB-CG1 4.36Å; L92-V117 HydrophobicContact CD2-CG1 4.37Å; L95-V117 HydrophobicContact CD2-CG2 3.81Å; L95-V117 HydrophobicContact CG-CG2 4.27Å; D96-V117 HydrophobicContact CB-CG1 3.95Å; L99-V117 HydrophobicContact CD1-CG2 3.95Å; L113-V117 WeakPolarHBondContact O-CG2 3.43Å; L113-V117 PolarHBondContact O-N 2.83Å; S114-V117 PolarHBondContact O-N 2.79Å; V117-R119 VanDerWaalsContact C-N 3.27Å; V117-R119 PolarHBondContact O-N 2.96Å; V117-T120 PolarHBondContact O-N 2.99Å; V117-S121 VanDerWaalsContact O-CB 3.23Å; V117-S121 WeakPolarHBondContact O-CB 3.39Å; V117-S121 PolarHBondContact O-N 3.31Å
118	A	85.3	Confident	83.2	Confident	39 Å²	39	80.3 Å²	80.3	32%	0.322	39%	0.394	S	S	.	.	H	α-helix	trans	-68.6	-20.3	175.3	0	0	0	0	0	113.9	S114 E116 R122	S114-A118 VanDerWaalsContact O-CB 3.23Å; S114-A118 WeakPolarHBondContact O-CB 3.35Å; S114-A118 PolarHBondContact O-N 2.56Å; E116-A118 VanDerWaalsContact C-N 3.3Å; E116-A118 PolarHBondContact O-N 3.25Å; A118-R122 PolarHBondContact O-NE 3.01Å
119	R	89.6	Confident	84.2	Confident	130 Å²	130	77.2 Å²	77.2	49%	0.491	39%	0.393	S	S	.	.	H	α-helix	trans	-79.7	-49.3	171.2	-170.6	-174.8	-64.6	128.7	1.8	110.5	V115 E116 V117 S121 R122 W123	V115-R119 WeakPolarHBondContact O-CB 3.34Å; V115-R119 PolarHBondContact O-N 2.88Å; E116-R119 WeakPolarHBondContact O-CA 3.38Å; E116-R119 WeakPolarHBondContact O-CB 3.45Å; E116-R119 PolarHBondContact O-N 3.12Å; E116-R119 IonicContact OE1-CZ 3.64Å; E116-R119 IonicContact OE1-NH1 3.96Å; E116-R119 PolarHBondContact OE1-NH1 2.84Å; E116-R119 IonicContact OE2-CZ 3.7Å; E116-R119 IonicContact OE2-NH1 3.06Å; E116-R119 PolarHBondContact OE2-NH1 3Å; V117-R119 VanDerWaalsContact C-N 3.27Å; V117-R119 PolarHBondContact O-N 2.96Å; R119-S121 VanDerWaalsContact C-N 3.33Å; R119-S121 PolarHBondContact O-N 2.87Å; R119-R122 PolarHBondContact O-N 3.41Å; R119-W123 PolarHBondContact O-N 3.46Å
120	T	86.8	Confident	85.1	Confident	58 Å²	58	76 Å²	76	36%	0.356	39%	0.386	S	S	.	.	H	α-helix	trans	-61.4	-40.3	177.6	-45.4	0	0	0	0	111.9	L92 E116 V117 R122 W123 L124	L92-T120 HydrophobicContact CD1-CG2 3.77Å; E116-T120 PolarHBondContact O-N 3.12Å; E116-T120 PolarHBondContact O-OG1 3.31Å; V117-T120 PolarHBondContact O-N 2.99Å; T120-R122 VanDerWaalsContact C-N 3.35Å; T120-R122 PolarHBondContact O-N 3.16Å; T120-W123 PolarHBondContact O-N 2.95Å; T120-L124 PolarHBondContact O-N 2.86Å
121	S	87	Confident	85.7	Confident	12 Å²	12	74.7 Å²	74.7	8%	0.084	38%	0.379	C	S	.	.	H	α-helix	trans	-63.7	-36.5	176.4	-179.7	0	0	0	0	112.7	V117 R119 R125	V117-S121 VanDerWaalsContact O-CB 3.23Å; V117-S121 WeakPolarHBondContact O-CB 3.39Å; V117-S121 PolarHBondContact O-N 3.31Å; R119-S121 VanDerWaalsContact C-N 3.33Å; R119-S121 PolarHBondContact O-N 2.87Å; S121-R125 PolarHBondContact O-N 3.1Å; S121-R125 PolarHBondContact OG-NH1 3.35Å; S121-R125 PolarHBondContact OG-NH2 3.34Å
122	R	87.8	Confident	86.1	Confident	139 Å²	139	78.3 Å²	78.3	53%	0.525	38%	0.383	S	S	.	.	H	α-helix	trans	-68.4	-45.9	172.1	-82.4	178.6	-76.2	174	-4.9	111.9	A118 R119 T120 L124 R125 D126	A118-R122 PolarHBondContact O-NE 3.01Å; R119-R122 PolarHBondContact O-N 3.41Å; T120-R122 VanDerWaalsContact C-N 3.35Å; T120-R122 PolarHBondContact O-N 3.16Å; R122-L124 VanDerWaalsContact C-N 3.29Å; R122-L124 PolarHBondContact O-N 3.45Å; R122-R125 PolarHBondContact O-N 3.07Å; R122-R125 VanDerWaalsContact O-N 3.07Å; R122-D126 PolarHBondContact O-N 3.25Å
123	W	89.3	Confident	86.5	Confident	144 Å²	144	77 Å²	77	55%	0.545	37%	0.372	S	S	.	.	H	α-helix	trans	-58.5	-38.1	178.6	-179.8	87.2	0	0	0	113.1	R119 T120 H127	R119-W123 PolarHBondContact O-N 3.46Å; T120-W123 PolarHBondContact O-N 2.95Å; W123-H127 AromaticContact CE2-CE1 3.99Å; W123-H127 AromaticContact CE2-ND1 3.55Å; W123-H127 AromaticContact CH2-CE1 3.82Å; W123-H127 AromaticContact CH2-ND1 3.59Å; W123-H127 AromaticContact CZ2-CE1 3.38Å; W123-H127 WeakPolarHBondContact CZ2-CE1 3.07Å; W123-H127 AromaticContact CZ2-ND1 3.28Å; W123-H127 VanDerWaalsContact CZ2-ND1 3.28Å; W123-H127 WeakPolarHBondContact CZ2-ND1 2.95Å; W123-H127 PolarHBondContact O-N 2.98Å
124	L	86.4	Confident	86.7	Confident	20 Å²	20	74.4 Å²	74.4	11%	0.105	36%	0.364	C	S	.	.	H	α-helix	trans	-65.7	-40.1	173.9	-77.8	175.4	0	0	0	112.8	L92 T120 R122 H127 D128	L92-L124 HydrophobicContact CD1-CD1 3.69Å; T120-L124 PolarHBondContact O-N 2.86Å; R122-L124 VanDerWaalsContact C-N 3.29Å; R122-L124 PolarHBondContact O-N 3.45Å; L124-H127 WeakPolarHBondContact O-CB 3.5Å; L124-H127 PolarHBondContact O-N 2.91Å; L124-D128 PolarHBondContact O-N 2.9Å
125	R	85.2	Confident	86.9	Confident	103 Å²	103	74.6 Å²	74.6	39%	0.389	37%	0.366	S	S	.	.	H	α-helix	trans	-65.2	-41.7	175.7	-76.6	-171.9	-71.6	-85.1	-3.2	112.4	E89 S121 R122 H127 D128 V129	E89-R125 VanDerWaalsContact OE1-CD 3.31Å; E89-R125 WeakPolarHBondContact OE1-CD 3.39Å; E89-R125 WeakPolarHBondContact OE1-CG 3.2Å; E89-R125 IonicContact OE1-CZ 2.7Å; E89-R125 IonicContact OE1-NE 3.66Å; E89-R125 IonicContact OE1-NH1 2.71Å; E89-R125 PolarHBondContact OE1-NH1 2.89Å; S121-R125 PolarHBondContact O-N 3.1Å; S121-R125 PolarHBondContact OG-NH1 3.35Å; S121-R125 PolarHBondContact OG-NH2 3.34Å; R122-R125 PolarHBondContact O-N 3.07Å; R122-R125 VanDerWaalsContact O-N 3.07Å; R125-H127 PolarHBondContact O-N 3.43Å; R125-D128 PolarHBondContact O-N 2.95Å; R125-V129 PolarHBondContact O-N 3.4Å
126	D	87.8	Confident	87	Confident	108 Å²	108	73 Å²	73	58%	0.578	36%	0.364	S	S	*	.	H	α-helix	trans	-62	-35.7	174.9	-61.7	-24.6	0	0	0	110.8	R122	R122-D126 PolarHBondContact O-N 3.25Å
127	H	85.6	Confident	87.1	Confident	77 Å²	77	74.6 Å²	74.6	36%	0.356	37%	0.371	S	S	.	.	H	α-helix	trans	-69.1	-38.3	173	-114.5	102	0	0	0	113.9	W123 L124 R125 V129 L130 L131	W123-H127 AromaticContact CE2-CE1 3.99Å; W123-H127 AromaticContact CE2-ND1 3.55Å; W123-H127 AromaticContact CH2-CE1 3.82Å; W123-H127 AromaticContact CH2-ND1 3.59Å; W123-H127 AromaticContact CZ2-CE1 3.38Å; W123-H127 WeakPolarHBondContact CZ2-CE1 3.07Å; W123-H127 AromaticContact CZ2-ND1 3.28Å; W123-H127 VanDerWaalsContact CZ2-ND1 3.28Å; W123-H127 WeakPolarHBondContact CZ2-ND1 2.95Å; W123-H127 PolarHBondContact O-N 2.98Å; L124-H127 WeakPolarHBondContact O-CB 3.5Å; L124-H127 PolarHBondContact O-N 2.91Å; R125-H127 PolarHBondContact O-N 3.43Å; H127-V129 VanDerWaalsContact C-N 3.27Å; H127-V129 PolarHBondContact O-N 3.27Å; H127-L130 PolarHBondContact O-N 2.93Å; H127-L130 VanDerWaalsContact O-N 3.16Å; H127-L131 WeakPolarHBondContact O-CG 3.23Å; H127-L131 PolarHBondContact O-N 3.45Å
128	D	85.9	Confident	86.8	Confident	13 Å²	13	75 Å²	75	7%	0.07	37%	0.373	C	S	.	.	H	α-helix	trans	-62.9	-33.3	176.7	-175.5	61.7	0	0	0	112.1	Q82 L124 R125 L131 R132	Q82-D128 PolarHBondContact NE2-OD1 3.13Å; L124-D128 PolarHBondContact O-N 2.9Å; R125-D128 PolarHBondContact O-N 2.95Å; D128-L131 PolarHBondContact O-N 3.4Å; D128-R132 VanDerWaalsContact O-CG 3.32Å; D128-R132 WeakPolarHBondContact O-CG 3.3Å; D128-R132 PolarHBondContact O-N 3.48Å; D128-R132 IonicContact OD1-NE 3.81Å; D128-R132 IonicContact OD2-CZ 2.67Å; D128-R132 IonicContact OD2-NE 2.68Å; D128-R132 PolarHBondContact OD2-NE 2.9Å; D128-R132 IonicContact OD2-NH2 3.16Å; D128-R132 PolarHBondContact OD2-NH2 3.22Å
129	V	88.4	Confident	86.8	Confident	96 Å²	96	76.7 Å²	76.7	58%	0.582	38%	0.377	S	S	*	.	H	α-helix	trans	-61.5	-44.8	172.5	177.9	0	0	0	0	111.3	R125 H127 R132 D133	R125-V129 PolarHBondContact O-N 3.4Å; H127-V129 VanDerWaalsContact C-N 3.27Å; H127-V129 PolarHBondContact O-N 3.27Å; V129-R132 PolarHBondContact O-N 2.99Å; V129-D133 PolarHBondContact O-N 2.93Å
130	L	86.2	Confident	86.6	Confident	107 Å²	107	71.8 Å²	71.8	56%	0.56	37%	0.367	S	S	*	.	H	α-helix	trans	-65.7	-37.4	176.9	-63.5	174.2	0	0	0	112.4	H127 D133 A134	H127-L130 PolarHBondContact O-N 2.93Å; H127-L130 VanDerWaalsContact O-N 3.16Å; L130-D133 PolarHBondContact O-N 3.4Å; L130-A134 WeakPolarHBondContact O-CB 3.37Å; L130-A134 PolarHBondContact O-N 2.93Å
131	L	86.1	Confident	86.4	Confident	21 Å²	21	73.6 Å²	73.6	11%	0.11	37%	0.374	C	S	.	.	H	α-helix	trans	-66.1	-37.9	175.7	-66.9	168.7	0	0	0	111.8	L78 I81 H127 D128 S135	L78-L131 HydrophobicContact CD1-CB 4.35Å; L78-L131 HydrophobicContact CD1-CD2 3.56Å; I81-L131 HydrophobicContact CG2-CD1 3.88Å; I81-L131 HydrophobicContact CG2-CD2 3.71Å; I81-L131 HydrophobicContact CG2-CG 4.49Å; H127-L131 WeakPolarHBondContact O-CG 3.23Å; H127-L131 PolarHBondContact O-N 3.45Å; D128-L131 PolarHBondContact O-N 3.4Å; L131-S135 WeakPolarHBondContact O-CB 3.31Å; L131-S135 PolarHBondContact O-N 3.08Å
132	R	86.3	Confident	86.2	Confident	156 Å²	156	77.1 Å²	77.1	59%	0.589	39%	0.385	S	S	*	.	H	α-helix	trans	-66.6	-41.2	173.8	-70.3	175.5	-163.5	-143.1	5.7	112.3	D128 V129 S135 G136	D128-R132 VanDerWaalsContact O-CG 3.32Å; D128-R132 WeakPolarHBondContact O-CG 3.3Å; D128-R132 PolarHBondContact O-N 3.48Å; D128-R132 IonicContact OD1-NE 3.81Å; D128-R132 IonicContact OD2-CZ 2.67Å; D128-R132 IonicContact OD2-NE 2.68Å; D128-R132 PolarHBondContact OD2-NE 2.9Å; D128-R132 IonicContact OD2-NH2 3.16Å; D128-R132 PolarHBondContact OD2-NH2 3.22Å; V129-R132 PolarHBondContact O-N 2.99Å; R132-S135 WeakPolarHBondContact O-CB 3.14Å; R132-S135 PolarHBondContact O-N 2.97Å; R132-G136 PolarHBondContact O-N 3.03Å
133	D	90.1	Very high	86.1	Confident	92 Å²	92	77.2 Å²	77.2	49%	0.492	39%	0.392	S	S	.	.	H	α-helix	trans	-63.5	-44	176.2	-175.4	71.7	0	0	0	111.6	V129 L130 S135 G136 H137	V129-D133 PolarHBondContact O-N 2.93Å; L130-D133 PolarHBondContact O-N 3.4Å; D133-S135 VanDerWaalsContact C-N 3.29Å; D133-S135 PolarHBondContact O-N 3.14Å; D133-G136 PolarHBondContact O-N 3.44Å; D133-G136 VanDerWaalsContact O-N 3.17Å; D133-H137 PolarHBondContact O-N 3.18Å; D133-H137 PolarHBondContact O-ND1 3.38Å; D133-H137 IonicContact OD1-CE1 3.91Å; D133-H137 IonicContact OD2-CE1 2.76Å; D133-H137 PolarHBondContact OD2-CE1 3.02Å; D133-H137 IonicContact OD2-ND1 3.96Å; D133-H137 PolarHBondContact OD2-ND1 2.92Å
134	A	85.7	Confident	85.7	Confident	39 Å²	39	77.1 Å²	77.1	32%	0.322	40%	0.395	S	S	.	.	H	α-helix	trans	-60.1	-37.4	172	0	0	0	0	0	112.8	L78 L130 H137 L138	L78-A134 HydrophobicContact CD1-CB 4.3Å; L78-A134 HydrophobicContact CD2-CB 4.33Å; L130-A134 WeakPolarHBondContact O-CB 3.37Å; L130-A134 PolarHBondContact O-N 2.93Å; A134-H137 PolarHBondContact O-N 2.91Å; A134-L138 PolarHBondContact O-N 3.27Å
135	S	87	Confident	85.3	Confident	40 Å²	40	76.9 Å²	76.9	28%	0.28	39%	0.394	S	S	.	.	H	α-helix	trans	-65.5	-40.6	174.6	-166.3	0	0	0	0	111.9	L78 L131 R132 D133 L138 N139	L78-S135 VanDerWaalsContact CD2-CA 3.45Å; L131-S135 WeakPolarHBondContact O-CB 3.31Å; L131-S135 PolarHBondContact O-N 3.08Å; R132-S135 WeakPolarHBondContact O-CB 3.14Å; R132-S135 PolarHBondContact O-N 2.97Å; D133-S135 VanDerWaalsContact C-N 3.29Å; D133-S135 PolarHBondContact O-N 3.14Å; S135-L138 PolarHBondContact O-N 2.9Å; S135-N139 VanDerWaalsContact O-CG 3.26Å; S135-N139 PolarHBondContact O-N 3.41Å; S135-N139 PolarHBondContact O-ND2 2.91Å
136	G	86.4	Confident	84.9	Confident	41 Å²	41	76 Å²	76	42%	0.423	40%	0.397	S	S	.	.	H	α-helix	trans	-59.6	-45.3	173.2	0	0	0	0	0	112.4	R132 D133 N139 G140	R132-G136 PolarHBondContact O-N 3.03Å; D133-G136 PolarHBondContact O-N 3.44Å; D133-G136 VanDerWaalsContact O-N 3.17Å; G136-N139 PolarHBondContact O-N 2.9Å; G136-G140 PolarHBondContact O-N 3.18Å
137	H	88.2	Confident	84.3	Confident	119 Å²	119	77.2 Å²	77.2	55%	0.551	40%	0.399	S	S	*	.	H	α-helix	trans	-62.8	-40.2	175.5	-71.9	109.9	0	0	0	113.1	D133 A134 G140 L141	D133-H137 PolarHBondContact O-N 3.18Å; D133-H137 PolarHBondContact O-ND1 3.38Å; D133-H137 IonicContact OD1-CE1 3.91Å; D133-H137 IonicContact OD2-CE1 2.76Å; D133-H137 PolarHBondContact OD2-CE1 3.02Å; D133-H137 IonicContact OD2-ND1 3.96Å; D133-H137 PolarHBondContact OD2-ND1 2.92Å; A134-H137 PolarHBondContact O-N 2.91Å; H137-G140 PolarHBondContact O-N 3.17Å; H137-L141 WeakPolarHBondContact O-CG 3.08Å; H137-L141 PolarHBondContact O-N 3.36Å
138	L	82.6	Confident	83.7	Confident	20 Å²	20	76.5 Å²	76.5	11%	0.105	40%	0.4	C	S	.	.	H	α-helix	trans	-64.2	-42.3	174.5	-77.3	172.3	0	0	0	112.4	I71 L74 L78 A134 S135 G140 L141 R142	I71-L138 HydrophobicContact CG2-CD2 4.49Å; L74-L138 HydrophobicContact CB-CD1 3.94Å; L74-L138 HydrophobicContact CB-CD2 3.89Å; L74-L138 HydrophobicContact CD1-CD2 4.07Å; L78-L138 HydrophobicContact CD2-CD1 3.94Å; A134-L138 PolarHBondContact O-N 3.27Å; S135-L138 PolarHBondContact O-N 2.9Å; L138-G140 PolarHBondContact O-N 3.04Å; L138-L141 PolarHBondContact O-N 3.26Å; L138-R142 PolarHBondContact O-N 3.02Å
139	N	84.2	Confident	83	Confident	75 Å²	75	79.8 Å²	79.8	40%	0.401	42%	0.418	S	S	.	.	H	α-helix	trans	-61.2	-44.4	175.8	-66.3	-27.2	0	0	0	111.3	S135 G136 L141 R142 E143	S135-N139 VanDerWaalsContact O-CG 3.26Å; S135-N139 PolarHBondContact O-N 3.41Å; S135-N139 PolarHBondContact O-ND2 2.91Å; G136-N139 PolarHBondContact O-N 2.9Å; N139-L141 VanDerWaalsContact C-N 3.34Å; N139-L141 PolarHBondContact O-N 2.84Å; N139-R142 WeakPolarHBondContact O-CB 3.49Å; N139-R142 PolarHBondContact O-N 2.99Å; N139-R142 VanDerWaalsContact O-N 3.12Å; N139-E143 PolarHBondContact O-N 3.27Å
140	G	85.9	Confident	82.2	Confident	28 Å²	28	84.2 Å²	84.2	29%	0.289	42%	0.424	S	S	.	.	H	α-helix	trans	-66.5	-31	176.6	0	0	0	0	0	114.2	G136 H137 L138 K144	G136-G140 PolarHBondContact O-N 3.18Å; H137-G140 PolarHBondContact O-N 3.17Å; L138-G140 PolarHBondContact O-N 3.04Å; G140-K144 WeakPolarHBondContact O-CG 3.34Å; G140-K144 PolarHBondContact O-N 2.6Å
141	L	81.9	Confident	81.4	Confident	96 Å²	96	82 Å²	82	50%	0.503	42%	0.416	S	S	.	.	H	α-helix	trans	-68.9	-35.2	170.4	-75	171.5	0	0	0	112	I71 H137 L138 N139 L145	I71-L141 HydrophobicContact CD1-CB 4.11Å; H137-L141 WeakPolarHBondContact O-CG 3.08Å; H137-L141 PolarHBondContact O-N 3.36Å; L138-L141 PolarHBondContact O-N 3.26Å; N139-L141 VanDerWaalsContact C-N 3.34Å; N139-L141 PolarHBondContact O-N 2.84Å; L141-L145 WeakPolarHBondContact O-CB 3.31Å; L141-L145 PolarHBondContact O-N 2.67Å
142	R	84.3	Confident	80.5	Confident	85 Å²	85	82.7 Å²	82.7	32%	0.321	42%	0.42	S	S	.	.	H	α-helix	trans	-67.4	-47	176.8	-172.1	178.3	-168.8	143.8	2.6	112.2	I71 E75 L138 N139 K144 L145 D146	I71-R142 HydrophobicContact CG2-CB 4.46Å; E75-R142 IonicContact OE1-CZ 3.3Å; E75-R142 IonicContact OE1-NH1 3.14Å; E75-R142 PolarHBondContact OE1-NH1 3Å; E75-R142 IonicContact OE2-NH1 3.14Å; E75-R142 PolarHBondContact OE2-NH1 2.92Å; L138-R142 PolarHBondContact O-N 3.02Å; N139-R142 WeakPolarHBondContact O-CB 3.49Å; N139-R142 PolarHBondContact O-N 2.99Å; N139-R142 VanDerWaalsContact O-N 3.12Å; R142-K144 VanDerWaalsContact C-N 3.3Å; R142-K144 PolarHBondContact O-N 3.31Å; R142-L145 WeakPolarHBondContact O-CA 3.5Å; R142-L145 WeakPolarHBondContact O-CB 3.37Å; R142-L145 PolarHBondContact O-N 2.89Å; R142-D146 PolarHBondContact O-N 2.83Å
143	E	83.9	Confident	79.6	Confident	141 Å²	141	77 Å²	77	66%	0.659	41%	0.411	S	S	*	.	H	α-helix	trans	-57	-44	176.7	-71.1	174	173.3	0	0	111.6	N139 L145 D146 E147	N139-E143 PolarHBondContact O-N 3.27Å; E143-L145 PolarHBondContact O-N 3.34Å; E143-D146 PolarHBondContact O-N 2.66Å; E143-E147 PolarHBondContact O-N 3.06Å
144	K	81.1	Confident	78.3	Confident	143 Å²	143	74.6 Å²	74.6	62%	0.622	40%	0.403	S	S	*	.	H	α-helix	trans	-64.9	-36	174.1	-71.6	-178	176.6	-171.2	0	113.1	G140 R142 V148	G140-K144 WeakPolarHBondContact O-CG 3.34Å; G140-K144 PolarHBondContact O-N 2.6Å; R142-K144 VanDerWaalsContact C-N 3.3Å; R142-K144 PolarHBondContact O-N 3.31Å; K144-V148 WeakPolarHBondContact O-CG2 3.49Å; K144-V148 PolarHBondContact O-N 3.46Å; K144-V148 VanDerWaalsContact O-N 3.11Å
145	L	79.6	Confident	77.3	Confident	14 Å²	14	75.7 Å²	75.7	7%	0.073	41%	0.406	C	S	.	.	H	α-helix	trans	-67.2	-40.6	176	-179.6	57.7	0	0	0	111.3	L64 L67 E68 I71 L141 R142 E143 V148 N149	L64-L145 HydrophobicContact CB-CD1 4.35Å; L64-L145 HydrophobicContact CD2-CD1 3.47Å; L64-L145 VanDerWaalsContact CD2-CD1 3.47Å; L67-L145 HydrophobicContact CD2-CD1 4.16Å; L67-L145 HydrophobicContact CG-CD2 4.36Å; E68-L145 HydrophobicContact CB-CD2 3.82Å; E68-L145 HydrophobicContact CG-CD2 4.08Å; I71-L145 HydrophobicContact CD1-CD2 3.92Å; L141-L145 WeakPolarHBondContact O-CB 3.31Å; L141-L145 PolarHBondContact O-N 2.67Å; R142-L145 WeakPolarHBondContact O-CA 3.5Å; R142-L145 WeakPolarHBondContact O-CB 3.37Å; R142-L145 PolarHBondContact O-N 2.89Å; E143-L145 PolarHBondContact O-N 3.34Å; L145-V148 PolarHBondContact O-N 2.99Å; L145-N149 VanDerWaalsContact O-CB 3.27Å; L145-N149 WeakPolarHBondContact O-CB 3.5Å; L145-N149 PolarHBondContact O-N 2.8Å
146	D	76.2	Confident	76.2	Confident	84 Å²	84	77.8 Å²	77.8	45%	0.449	41%	0.414	S	S	.	.	H	α-helix	trans	-65.5	-38.5	176.9	-70.6	-30.7	0	0	0	111.6	R142 E143 N149 W150	R142-D146 PolarHBondContact O-N 2.83Å; E143-D146 PolarHBondContact O-N 2.66Å; D146-N149 PolarHBondContact O-N 3.04Å; D146-W150 WeakPolarHBondContact O-CB 3.35Å; D146-W150 PolarHBondContact O-N 3.47Å
147	E	75.4	Confident	75	Confident	134 Å²	134	81.9 Å²	81.9	63%	0.626	42%	0.422	S	S	*	.	H	α-helix	trans	-61.6	-46.4	172.7	-175.8	179.2	-165	0	0	112.4	E143 W150 T151	E143-E147 PolarHBondContact O-N 3.06Å; E147-W150 PolarHBondContact O-N 3.42Å; E147-T151 PolarHBondContact O-N 3.49Å; E147-T151 PolarHBondContact O-OG1 2.99Å
148	V	73.3	Confident	73.8	Confident	63 Å²	63	79.9 Å²	79.9	38%	0.382	42%	0.418	S	S	.	.	H	α-helix	trans	-66.3	-39.1	176.2	175.9	0	0	0	0	111.3	L64 K144 L145 T151 V152	L64-V148 HydrophobicContact CD1-CG1 4.17Å; L64-V148 HydrophobicContact CD2-CB 4.35Å; L64-V148 HydrophobicContact CD2-CG1 3.62Å; K144-V148 WeakPolarHBondContact O-CG2 3.49Å; K144-V148 PolarHBondContact O-N 3.46Å; K144-V148 VanDerWaalsContact O-N 3.11Å; L145-V148 PolarHBondContact O-N 2.99Å; V148-T151 WeakPolarHBondContact CA-OG1 3.46Å; V148-T151 PolarHBondContact O-N 3.37Å; V148-T151 PolarHBondContact O-OG1 3.33Å; V148-V152 HydrophobicContact CG1-CG2 4.37Å; V148-V152 WeakPolarHBondContact O-CB 3.37Å; V148-V152 VanDerWaalsContact O-CG2 3.32Å; V148-V152 WeakPolarHBondContact O-CG2 3.24Å; V148-V152 PolarHBondContact O-N 2.75Å
149	N	70.7	Confident	72.8	Confident	82 Å²	82	81.8 Å²	81.8	44%	0.439	43%	0.426	S	S	.	.	H	α-helix	trans	-66.5	-39.6	177.9	-164.1	23.6	0	0	0	111.6	L145 D146 G153	L145-N149 VanDerWaalsContact O-CB 3.27Å; L145-N149 WeakPolarHBondContact O-CB 3.5Å; L145-N149 PolarHBondContact O-N 2.8Å; D146-N149 PolarHBondContact O-N 3.04Å; N149-G153 PolarHBondContact O-N 2.92Å
150	W	71.3	Confident	71.5	Confident	188 Å²	188	81.5 Å²	81.5	71%	0.712	43%	0.427	S	S	*	.	H	α-helix	trans	-64.1	-46.1	175.1	-177	87.2	0	0	0	112.2	D146 E147 G153 A154	D146-W150 WeakPolarHBondContact O-CB 3.35Å; D146-W150 PolarHBondContact O-N 3.47Å; E147-W150 PolarHBondContact O-N 3.42Å; W150-G153 PolarHBondContact O-N 3.46Å; W150-A154 WeakPolarHBondContact O-CB 3.5Å; W150-A154 PolarHBondContact O-N 3.05Å
151	T	68.7	Low	70.1	Confident	62 Å²	62	83.4 Å²	83.4	38%	0.38	43%	0.43	S	S	.	.	H	α-helix	trans	-64.6	-43.7	178.4	48	0	0	0	0	112.3	E147 V148 G153 A154 V155	E147-T151 PolarHBondContact O-N 3.49Å; E147-T151 PolarHBondContact O-OG1 2.99Å; V148-T151 WeakPolarHBondContact CA-OG1 3.46Å; V148-T151 PolarHBondContact O-N 3.37Å; V148-T151 PolarHBondContact O-OG1 3.33Å; T151-G153 PolarHBondContact O-N 2.86Å; T151-A154 PolarHBondContact O-N 3.48Å; T151-V155 WeakPolarHBondContact O-CG2 3.24Å; T151-V155 PolarHBondContact O-N 2.99Å
152	V	68.4	Low	68.8	Low	34 Å²	34	82.9 Å²	82.9	21%	0.206	43%	0.428	C	S	.	.	H	α-helix	trans	-62.8	-41.6	174.2	171	0	0	0	0	111.4	L64 V148 V155 N156	L64-V152 HydrophobicContact CD1-CB 4.46Å; L64-V152 HydrophobicContact CD1-CG2 4.14Å; V148-V152 HydrophobicContact CG1-CG2 4.37Å; V148-V152 WeakPolarHBondContact O-CB 3.37Å; V148-V152 VanDerWaalsContact O-CG2 3.32Å; V148-V152 WeakPolarHBondContact O-CG2 3.24Å; V148-V152 PolarHBondContact O-N 2.75Å; V152-V155 PolarHBondContact O-N 2.83Å; V152-N156 WeakPolarHBondContact O-CB 3.31Å; V152-N156 PolarHBondContact O-N 3.31Å
153	G	66	Low	67.5	Low	38 Å²	38	82.6 Å²	82.6	39%	0.392	43%	0.432	S	S	.	.	H	α-helix	trans	-61.8	-42.5	175.5	0	0	0	0	0	113.1	N149 W150 T151 N156 H157	N149-G153 PolarHBondContact O-N 2.92Å; W150-G153 PolarHBondContact O-N 3.46Å; T151-G153 PolarHBondContact O-N 2.86Å; G153-N156 PolarHBondContact O-N 3.25Å; G153-H157 WeakPolarHBondContact O-CB 3.39Å; G153-H157 PolarHBondContact O-N 3.41Å
154	A	64.1	Low	66	Low	41 Å²	41	78.6 Å²	78.6	34%	0.339	42%	0.42	S	S	.	.	H	α-helix	trans	-62.3	-48.3	176.3	0	0	0	0	0	111.8	W150 T151 N156 H157 T158	W150-A154 WeakPolarHBondContact O-CB 3.5Å; W150-A154 PolarHBondContact O-N 3.05Å; T151-A154 PolarHBondContact O-N 3.48Å; A154-N156 PolarHBondContact O-N 2.89Å; A154-H157 PolarHBondContact O-N 3.43Å; A154-T158 PolarHBondContact O-N 3.22Å; A154-T158 PolarHBondContact O-OG1 3.3Å
155	V	64.4	Low	65.1	Low	61 Å²	61	75.8 Å²	75.8	37%	0.37	41%	0.41	S	S	.	.	H	α-helix	trans	-61.5	-43.9	178	173	0	0	0	0	111.5	F57 T151 V152 H157 T158 F159	F57-V155 HydrophobicContact CE1-CB 4.45Å; F57-V155 HydrophobicContact CE1-CG1 3.66Å; F57-V155 HydrophobicContact CE2-CG1 4.46Å; F57-V155 HydrophobicContact CZ-CG1 3.5Å; T151-V155 WeakPolarHBondContact O-CG2 3.24Å; T151-V155 PolarHBondContact O-N 2.99Å; V152-V155 PolarHBondContact O-N 2.83Å; V155-H157 VanDerWaalsContact C-N 3.34Å; V155-H157 PolarHBondContact O-N 2.88Å; V155-T158 WeakPolarHBondContact CA-OG1 3.45Å; V155-T158 PolarHBondContact O-N 2.96Å; V155-T158 PolarHBondContact O-OG1 3.31Å; V155-F159 WeakPolarHBondContact O-CB 3.38Å; V155-F159 PolarHBondContact O-N 3.44Å
156	N	62.9	Low	63.9	Low	84 Å²	84	78 Å²	78	45%	0.449	42%	0.42	S	S	.	.	H	α-helix	trans	-63.3	-39.9	177.8	-170.3	36.3	0	0	0	112	V152 G153 A154 F159 T160	V152-N156 WeakPolarHBondContact O-CB 3.31Å; V152-N156 PolarHBondContact O-N 3.31Å; G153-N156 PolarHBondContact O-N 3.25Å; A154-N156 PolarHBondContact O-N 2.89Å; N156-F159 PolarHBondContact O-N 3.11Å; N156-T160 VanDerWaalsContact O-CB 3.31Å; N156-T160 WeakPolarHBondContact O-CB 3.39Å; N156-T160 PolarHBondContact O-N 2.94Å; N156-T160 PolarHBondContact O-OG1 2.74Å
157	H	61.3	Low	62.8	Low	127 Å²	127	80.1 Å²	80.1	59%	0.588	43%	0.427	S	S	*	.	H	α-helix	trans	-66.5	-41.2	176.7	-177.8	-103	0	0	0	112.2	G153 A154 V155 N161	G153-H157 WeakPolarHBondContact O-CB 3.39Å; G153-H157 PolarHBondContact O-N 3.41Å; A154-H157 PolarHBondContact O-N 3.43Å; V155-H157 VanDerWaalsContact C-N 3.34Å; V155-H157 PolarHBondContact O-N 2.88Å; H157-N161 PolarHBondContact CE1-ND2 2.88Å; H157-N161 PolarHBondContact ND1-ND2 3.49Å; H157-N161 PolarHBondContact NE2-ND2 2.9Å; H157-N161 VanDerWaalsContact NE2-ND2 3.14Å; H157-N161 WeakPolarHBondContact O-CB 3.3Å; H157-N161 PolarHBondContact O-N 2.9Å; H157-N161 VanDerWaalsContact O-N 3.15Å; H157-N161 PolarHBondContact O-ND2 3.29Å
158	T	63.8	Low	62.2	Low	78 Å²	78	79.3 Å²	79.3	48%	0.479	43%	0.427	S	S	.	.	H	α-helix	trans	-64.5	-46.6	173.9	41.4	0	0	0	0	111.6	A154 V155 T160 N161 D162	A154-T158 PolarHBondContact O-N 3.22Å; A154-T158 PolarHBondContact O-OG1 3.3Å; V155-T158 WeakPolarHBondContact CA-OG1 3.45Å; V155-T158 PolarHBondContact O-N 2.96Å; V155-T158 PolarHBondContact O-OG1 3.31Å; T158-T160 PolarHBondContact O-N 3.35Å; T158-N161 PolarHBondContact O-N 2.88Å; T158-D162 PolarHBondContact O-N 3.3Å
159	F	61.2	Low	61.6	Low	59 Å²	59	81.9 Å²	81.9	26%	0.259	43%	0.433	S	S	.	.	H	α-helix	trans	-62.7	-42.7	-178.8	-164.6	-111.8	0	0	0	112	I50 V155 N156 N161 D162 I163	I50-F159 HydrophobicContact CG2-CZ 4.45Å; V155-F159 WeakPolarHBondContact O-CB 3.38Å; V155-F159 PolarHBondContact O-N 3.44Å; N156-F159 PolarHBondContact O-N 3.11Å; F159-N161 PolarHBondContact O-N 3.48Å; F159-D162 PolarHBondContact O-N 2.98Å; F159-I163 HydrophobicContact CD1-CD1 3.58Å; F159-I163 HydrophobicContact CE1-CD1 3.35Å; F159-I163 HydrophobicContact CE2-CD1 4.36Å; F159-I163 HydrophobicContact CG-CD1 4.2Å; F159-I163 HydrophobicContact CZ-CD1 3.78Å; F159-I163 WeakPolarHBondContact O-CB 3.5Å; F159-I163 VanDerWaalsContact O-CG1 3.31Å; F159-I163 WeakPolarHBondContact O-CG1 3.22Å; F159-I163 PolarHBondContact O-N 2.93Å
160	T	56.2	Low	61.1	Low	70 Å²	70	82.2 Å²	82.2	43%	0.429	43%	0.433	S	S	.	.	H	α-helix	trans	-63.7	-41.7	176.9	-57.6	0	0	0	0	112.1	N156 T158 S164	N156-T160 VanDerWaalsContact O-CB 3.31Å; N156-T160 WeakPolarHBondContact O-CB 3.39Å; N156-T160 PolarHBondContact O-N 2.94Å; N156-T160 PolarHBondContact O-OG1 2.74Å; T158-T160 PolarHBondContact O-N 3.35Å; T160-S164 VanDerWaalsContact O-CB 3.32Å; T160-S164 WeakPolarHBondContact O-CB 3.5Å; T160-S164 PolarHBondContact O-N 3.31Å; T160-S164 PolarHBondContact O-OG 2.87Å
161	N	56.6	Low	60.4	Low	67 Å²	67	77.5 Å²	77.5	36%	0.358	42%	0.418	S	S	.	.	H	α-helix	trans	-69.4	-44.5	178.2	-77.5	-52.2	0	0	0	112	H157 T158 F159 S164 I165	H157-N161 PolarHBondContact CE1-ND2 2.88Å; H157-N161 PolarHBondContact ND1-ND2 3.49Å; H157-N161 PolarHBondContact NE2-ND2 2.9Å; H157-N161 VanDerWaalsContact NE2-ND2 3.14Å; H157-N161 WeakPolarHBondContact O-CB 3.3Å; H157-N161 PolarHBondContact O-N 2.9Å; H157-N161 VanDerWaalsContact O-N 3.15Å; H157-N161 PolarHBondContact O-ND2 3.29Å; T158-N161 PolarHBondContact O-N 2.88Å; F159-N161 PolarHBondContact O-N 3.48Å; N161-S164 PolarHBondContact O-N 2.87Å; N161-I165 VanDerWaalsContact O-CG1 3.29Å; N161-I165 WeakPolarHBondContact O-CG1 3.11Å; N161-I165 PolarHBondContact O-N 2.99Å
162	D	55.3	Low	60.4	Low	86 Å²	86	78.7 Å²	78.7	46%	0.46	42%	0.422	S	S	.	.	H	α-helix	trans	-62.5	-46.3	177.6	-78.5	-29.9	0	0	0	111	T158 F159 S164 I165 H166	T158-D162 PolarHBondContact O-N 3.3Å; F159-D162 PolarHBondContact O-N 2.98Å; D162-S164 VanDerWaalsContact C-N 3.32Å; D162-S164 PolarHBondContact O-N 3.44Å; D162-I165 PolarHBondContact O-N 3.09Å; D162-H166 PolarHBondContact O-N 3.31Å; D162-H166 PolarHBondContact O-ND1 3.17Å
163	I	56.4	Low	60	Low	79 Å²	79	80.1 Å²	80.1	41%	0.405	43%	0.428	S	S	.	.	H	α-helix	trans	-57.3	-45.2	173.5	-73.2	173.4	0	0	0	111.2	F159 I165 H166 H167	F159-I163 HydrophobicContact CD1-CD1 3.58Å; F159-I163 HydrophobicContact CE1-CD1 3.35Å; F159-I163 HydrophobicContact CE2-CD1 4.36Å; F159-I163 HydrophobicContact CG-CD1 4.2Å; F159-I163 HydrophobicContact CZ-CD1 3.78Å; F159-I163 WeakPolarHBondContact O-CB 3.5Å; F159-I163 VanDerWaalsContact O-CG1 3.31Å; F159-I163 WeakPolarHBondContact O-CG1 3.22Å; F159-I163 PolarHBondContact O-N 2.93Å; I163-I165 PolarHBondContact O-N 2.98Å; I163-H166 PolarHBondContact O-N 2.64Å; I163-H167 VanDerWaalsContact O-CB 3.3Å; I163-H167 WeakPolarHBondContact O-CB 3.5Å; I163-H167 PolarHBondContact O-N 2.86Å
164	S	54	Low	59.7	Low	57 Å²	57	83.9 Å²	83.9	40%	0.399	44%	0.435	S	S	.	.	H	α-helix	trans	-62.6	-42.4	-179.9	-62	0	0	0	0	112.3	T160 N161 D162 H167 L168	T160-S164 VanDerWaalsContact O-CB 3.32Å; T160-S164 WeakPolarHBondContact O-CB 3.5Å; T160-S164 PolarHBondContact O-N 3.31Å; T160-S164 PolarHBondContact O-OG 2.87Å; N161-S164 PolarHBondContact O-N 2.87Å; D162-S164 VanDerWaalsContact C-N 3.32Å; D162-S164 PolarHBondContact O-N 3.44Å; S164-H167 PolarHBondContact O-N 3.35Å; S164-L168 WeakPolarHBondContact O-CG 3.39Å; S164-L168 PolarHBondContact O-N 3.02Å
165	I	61.1	Low	59.8	Low	83 Å²	83	87.2 Å²	87.2	43%	0.426	45%	0.446	S	S	.	.	H	α-helix	trans	-65.1	-43.5	176.6	-69.6	166.2	0	0	0	110.9	N161 D162 I163 L168 K169	N161-I165 VanDerWaalsContact O-CG1 3.29Å; N161-I165 WeakPolarHBondContact O-CG1 3.11Å; N161-I165 PolarHBondContact O-N 2.99Å; D162-I165 PolarHBondContact O-N 3.09Å; I163-I165 PolarHBondContact O-N 2.98Å; I165-L168 PolarHBondContact O-N 2.81Å; I165-K169 WeakPolarHBondContact O-CG 3.22Å; I165-K169 PolarHBondContact O-N 2.71Å
166	H	54.8	Low	59.8	Low	61 Å²	61	88.6 Å²	88.6	28%	0.282	45%	0.449	S	S	.	.	H	α-helix	trans	-68.7	-38.4	179	-71.8	72.1	0	0	0	111.6	D162 I163 L168 K169 I170	D162-H166 PolarHBondContact O-N 3.31Å; D162-H166 PolarHBondContact O-ND1 3.17Å; I163-H166 PolarHBondContact O-N 2.64Å; H166-L168 PolarHBondContact O-N 3.08Å; H166-K169 PolarHBondContact O-N 3.23Å; H166-I170 WeakPolarHBondContact O-CB 3.41Å; H166-I170 VanDerWaalsContact O-CG1 3.26Å; H166-I170 WeakPolarHBondContact O-CG1 3.42Å; H166-I170 PolarHBondContact O-N 3.48Å
167	H	54	Low	59.7	Low	128 Å²	128	89 Å²	89	59%	0.593	45%	0.45	S	S	*	.	H	α-helix	trans	-63.2	-38.7	174.4	-172.1	61.6	0	0	0	112.8	I163 S164 I170 K171	I163-H167 VanDerWaalsContact O-CB 3.3Å; I163-H167 WeakPolarHBondContact O-CB 3.5Å; I163-H167 PolarHBondContact O-N 2.86Å; S164-H167 PolarHBondContact O-N 3.35Å; H167-I170 PolarHBondContact O-N 3.16Å; H167-K171 PolarHBondContact NE2-NZ 3.06Å; H167-K171 VanDerWaalsContact NE2-NZ 3.16Å; H167-K171 WeakPolarHBondContact O-CG 3.25Å; H167-K171 PolarHBondContact O-N 3.35Å
168	L	60.9	Low	59.4	Low	117 Å²	117	88.3 Å²	88.3	61%	0.613	45%	0.447	S	S	*	.	H	α-helix	trans	-65.4	-43.2	173.2	-72.9	170.8	0	0	0	111.8	S164 I165 H166 K171 D172	S164-L168 WeakPolarHBondContact O-CG 3.39Å; S164-L168 PolarHBondContact O-N 3.02Å; I165-L168 PolarHBondContact O-N 2.81Å; H166-L168 PolarHBondContact O-N 3.08Å; L168-K171 PolarHBondContact O-N 3.22Å; L168-D172 PolarHBondContact O-N 3.19Å
169	K	62.3	Low	59.1	Low	118 Å²	118	89.6 Å²	89.6	51%	0.513	45%	0.451	S	S	.	.	H	α-helix	trans	-61.4	-42.5	173.6	-73.1	178.8	177.7	-178.8	0	112.5	I165 H166 K171 D172 L173	I165-K169 WeakPolarHBondContact O-CG 3.22Å; I165-K169 PolarHBondContact O-N 2.71Å; H166-K169 PolarHBondContact O-N 3.23Å; K169-K171 VanDerWaalsContact C-N 3.35Å; K169-D172 PolarHBondContact O-N 3.35Å; K169-L173 WeakPolarHBondContact O-CB 3.11Å; K169-L173 WeakPolarHBondContact O-CG 3.31Å; K169-L173 PolarHBondContact O-N 3.47Å
170	I	58.7	Low	58.9	Low	88 Å²	88	90.6 Å²	90.6	45%	0.451	46%	0.458	S	S	.	.	H	α-helix	trans	-62.7	-42.5	177	-70.6	163.1	0	0	0	110.5	H166 H167 L173 Q174	H166-I170 WeakPolarHBondContact O-CB 3.41Å; H166-I170 VanDerWaalsContact O-CG1 3.26Å; H166-I170 WeakPolarHBondContact O-CG1 3.42Å; H166-I170 PolarHBondContact O-N 3.48Å; H167-I170 PolarHBondContact O-N 3.16Å; I170-L173 PolarHBondContact O-N 2.79Å; I170-Q174 HydrophobicContact CG2-CG 4.49Å; I170-Q174 WeakPolarHBondContact O-CB 3.38Å; I170-Q174 VanDerWaalsContact O-CG 3.27Å; I170-Q174 WeakPolarHBondContact O-CG 3.09Å; I170-Q174 PolarHBondContact O-N 3.16Å
171	K	57.6	Low	58.7	Low	90 Å²	90	90.6 Å²	90.6	39%	0.391	46%	0.458	S	S	.	.	H	α-helix	trans	-63.7	-41.9	174.7	-81.4	177.5	170.9	175.3	0	112.8	H167 L168 K169 Q174 I175	H167-K171 PolarHBondContact NE2-NZ 3.06Å; H167-K171 VanDerWaalsContact NE2-NZ 3.16Å; H167-K171 WeakPolarHBondContact O-CG 3.25Å; H167-K171 PolarHBondContact O-N 3.35Å; L168-K171 PolarHBondContact O-N 3.22Å; K169-K171 VanDerWaalsContact C-N 3.35Å; K171-Q174 PolarHBondContact O-N 2.7Å; K171-I175 VanDerWaalsContact O-CG1 3.31Å; K171-I175 WeakPolarHBondContact O-CG1 3.48Å; K171-I175 PolarHBondContact O-N 2.92Å
172	D	68.3	Low	58.5	Low	86 Å²	86	91.8 Å²	91.8	46%	0.46	46%	0.464	S	S	.	.	H	α-helix	trans	-63.7	-45.8	176.6	-167.1	69.6	0	0	0	111.1	L168 K169 Q174 I175 Q176	L168-D172 PolarHBondContact O-N 3.19Å; K169-D172 PolarHBondContact O-N 3.35Å; D172-Q174 VanDerWaalsContact C-N 3.34Å; D172-Q174 PolarHBondContact O-N 2.73Å; D172-I175 PolarHBondContact O-N 2.99Å; D172-I175 VanDerWaalsContact O-N 3.14Å; D172-Q176 WeakPolarHBondContact O-CG 3.34Å; D172-Q176 PolarHBondContact O-N 2.91Å; D172-Q176 PolarHBondContact OD2-NE2 2.77Å
173	L	59.8	Low	58.1	Low	64 Å²	64	93 Å²	93	34%	0.335	47%	0.471	S	S	.	.	H	α-helix	trans	-59.7	-40.7	172.8	-72.4	169.6	0	0	0	112.5	K169 I170 I175 Q176 I177	K169-L173 WeakPolarHBondContact O-CB 3.11Å; K169-L173 WeakPolarHBondContact O-CG 3.31Å; K169-L173 PolarHBondContact O-N 3.47Å; I170-L173 PolarHBondContact O-N 2.79Å; L173-I175 VanDerWaalsContact C-N 3.35Å; L173-I175 PolarHBondContact O-N 3.39Å; L173-Q176 PolarHBondContact O-N 3.49Å; L173-I177 WeakPolarHBondContact O-CB 3.33Å; L173-I177 WeakPolarHBondContact O-CD1 3.3Å; L173-I177 WeakPolarHBondContact O-CG1 3.38Å; L173-I177 PolarHBondContact O-N 3.15Å
174	Q	60	Low	57.6	Low	117 Å²	117	92.6 Å²	92.6	55%	0.547	47%	0.472	S	S	.	.	H	α-helix	trans	-62.2	-39.8	174.3	-78.2	174.3	-16.5	0	0	112.3	I170 K171 D172 H178	I170-Q174 HydrophobicContact CG2-CG 4.49Å; I170-Q174 WeakPolarHBondContact O-CB 3.38Å; I170-Q174 VanDerWaalsContact O-CG 3.27Å; I170-Q174 WeakPolarHBondContact O-CG 3.09Å; I170-Q174 PolarHBondContact O-N 3.16Å; K171-Q174 PolarHBondContact O-N 2.7Å; D172-Q174 VanDerWaalsContact C-N 3.34Å; D172-Q174 PolarHBondContact O-N 2.73Å; Q174-H178 WeakPolarHBondContact O-CB 3.26Å; Q174-H178 PolarHBondContact O-N 3.26Å
175	I	67.3	Low	57.4	Low	111 Å²	111	95 Å²	95	57%	0.569	49%	0.489	S	S	*	.	H	α-helix	trans	-67.2	-44.3	175.3	-68.4	163.6	0	0	0	110.5	K171 D172 L173 I177 H178 N179	K171-I175 VanDerWaalsContact O-CG1 3.31Å; K171-I175 WeakPolarHBondContact O-CG1 3.48Å; K171-I175 PolarHBondContact O-N 2.92Å; D172-I175 PolarHBondContact O-N 2.99Å; D172-I175 VanDerWaalsContact O-N 3.14Å; L173-I175 VanDerWaalsContact C-N 3.35Å; L173-I175 PolarHBondContact O-N 3.39Å; I175-I177 PolarHBondContact O-N 3.23Å; I175-H178 PolarHBondContact O-N 3.5Å; I175-N179 WeakPolarHBondContact O-CB 3.34Å; I175-N179 PolarHBondContact O-N 2.96Å
176	Q	63.8	Low	56.7	Low	91 Å²	91	95 Å²	95	43%	0.425	50%	0.496	S	S	.	.	H	α-helix	trans	-60.4	-45	175.7	-68.5	-176.2	38	0	0	111.4	D172 L173 N179 I180	D172-Q176 WeakPolarHBondContact O-CG 3.34Å; D172-Q176 PolarHBondContact O-N 2.91Å; D172-Q176 PolarHBondContact OD2-NE2 2.77Å; L173-Q176 PolarHBondContact O-N 3.49Å; Q176-N179 PolarHBondContact O-N 3.39Å; Q176-I180 WeakPolarHBondContact O-CB 3.27Å; Q176-I180 WeakPolarHBondContact O-CD1 3.42Å; Q176-I180 VanDerWaalsContact O-CG1 3.22Å; Q176-I180 WeakPolarHBondContact O-CG1 2.96Å; Q176-I180 PolarHBondContact O-N 3.15Å
177	I	60.6	Low	56	Low	92 Å²	92	97.6 Å²	97.6	47%	0.472	51%	0.512	S	S	.	.	H	α-helix	trans	-62.3	-43.1	175.3	-69.9	163.4	0	0	0	111.1	L173 I175 I180 T181	L173-I177 WeakPolarHBondContact O-CB 3.33Å; L173-I177 WeakPolarHBondContact O-CD1 3.3Å; L173-I177 WeakPolarHBondContact O-CG1 3.38Å; L173-I177 PolarHBondContact O-N 3.15Å; I175-I177 PolarHBondContact O-N 3.23Å; I177-I180 PolarHBondContact O-N 2.98Å; I177-T181 WeakPolarHBondContact O-CB 3.41Å; I177-T181 WeakPolarHBondContact O-CG2 3.43Å; I177-T181 PolarHBondContact O-N 3.22Å; I177-T181 PolarHBondContact O-OG1 3.01Å
178	H	55.8	Low	55.6	Low	112 Å²	112	103.1 Å²	103.1	52%	0.519	53%	0.528	S	S	.	.	H	α-helix	trans	-62.9	-44.4	177.6	-173.6	16.4	0	0	0	111.6	Q174 I175 I180 T181 D182	Q174-H178 WeakPolarHBondContact O-CB 3.26Å; Q174-H178 PolarHBondContact O-N 3.26Å; I175-H178 PolarHBondContact O-N 3.5Å; H178-I180 PolarHBondContact O-N 3.43Å; H178-T181 VanDerWaalsContact CA-OG1 3.29Å; H178-T181 WeakPolarHBondContact CA-OG1 3.47Å; H178-T181 PolarHBondContact O-N 3.29Å; H178-T181 PolarHBondContact O-OG1 2.91Å; H178-D182 IonicContact CE1-OD1 2.77Å; H178-D182 PolarHBondContact CE1-OD1 2.74Å; H178-D182 IonicContact CE1-OD2 3.79Å; H178-D182 PolarHBondContact CE1-OD2 3.34Å; H178-D182 IonicContact ND1-OD1 2.72Å; H178-D182 IonicContact ND1-OD2 2.87Å; H178-D182 PolarHBondContact O-N 3Å
179	N	56.5	Low	54.8	Low	105 Å²	105	103.3 Å²	103.3	56%	0.561	53%	0.533	S	S	*	.	H	α-helix	trans	-66.6	-38.1	179.1	-158.2	55.7	0	0	0	111.8	I175 Q176 D183	I175-N179 WeakPolarHBondContact O-CB 3.34Å; I175-N179 PolarHBondContact O-N 2.96Å; Q176-N179 PolarHBondContact O-N 3.39Å; N179-D183 PolarHBondContact O-N 2.9Å; N179-D183 VanDerWaalsContact O-N 3.1Å
180	I	56.2	Low	54	Low	80 Å²	80	101 Å²	101	41%	0.41	53%	0.529	S	S	.	.	H	α-helix	trans	-65.3	-42.8	172	-69.1	164	0	0	0	110.8	Q176 I177 H178 D183 T184	Q176-I180 WeakPolarHBondContact O-CB 3.27Å; Q176-I180 WeakPolarHBondContact O-CD1 3.42Å; Q176-I180 VanDerWaalsContact O-CG1 3.22Å; Q176-I180 WeakPolarHBondContact O-CG1 2.96Å; Q176-I180 PolarHBondContact O-N 3.15Å; I177-I180 PolarHBondContact O-N 2.98Å; H178-I180 PolarHBondContact O-N 3.43Å; I180-D183 PolarHBondContact O-N 3.41Å; I180-T184 HydrophobicContact CG2-CG2 4.19Å; I180-T184 VanDerWaalsContact O-CG2 3.25Å; I180-T184 WeakPolarHBondContact O-CG2 3.31Å; I180-T184 PolarHBondContact O-N 3.5Å; I180-T184 PolarHBondContact O-OG1 3.2Å
181	T	53	Low	53.4	Low	70 Å²	70	102.8 Å²	102.8	43%	0.429	54%	0.535	S	S	.	.	H	α-helix	trans	-65.5	-41.2	179.8	42.5	0	0	0	0	112	I177 H178 T184 S185	I177-T181 WeakPolarHBondContact O-CB 3.41Å; I177-T181 WeakPolarHBondContact O-CG2 3.43Å; I177-T181 PolarHBondContact O-N 3.22Å; I177-T181 PolarHBondContact O-OG1 3.01Å; H178-T181 VanDerWaalsContact CA-OG1 3.29Å; H178-T181 WeakPolarHBondContact CA-OG1 3.47Å; H178-T181 PolarHBondContact O-N 3.29Å; H178-T181 PolarHBondContact O-OG1 2.91Å; T181-T184 WeakPolarHBondContact CA-OG1 3.24Å; T181-T184 PolarHBondContact O-N 3.46Å; T181-T184 PolarHBondContact O-OG1 3.34Å; T181-S185 PolarHBondContact O-N 2.92Å
182	D	52.6	Low	52.7	Low	92 Å²	92	105.2 Å²	105.2	49%	0.492	55%	0.551	S	S	.	*	H	α-helix	trans	-61.1	-45.3	173.5	-79.2	1.5	0	0	0	111.6	H178 T184 S185	H178-D182 IonicContact CE1-OD1 2.77Å; H178-D182 PolarHBondContact CE1-OD1 2.74Å; H178-D182 IonicContact CE1-OD2 3.79Å; H178-D182 PolarHBondContact CE1-OD2 3.34Å; H178-D182 IonicContact ND1-OD1 2.72Å; H178-D182 IonicContact ND1-OD2 2.87Å; H178-D182 PolarHBondContact O-N 3Å; D182-T184 PolarHBondContact O-N 3.37Å; D182-S185 WeakPolarHBondContact O-CB 3.27Å; D182-S185 PolarHBondContact O-N 3.36Å; D182-S185 PolarHBondContact O-OG 3.23Å
183	D	47.3	Very low	51.5	Low	113 Å²	113	107.6 Å²	107.6	60%	0.604	56%	0.559	S	S	*	*	H	α-helix	trans	-65.6	-34	175	-96.7	-17.7	0	0	0	113.2	N179 I180 S185 S186	N179-D183 PolarHBondContact O-N 2.9Å; N179-D183 VanDerWaalsContact O-N 3.1Å; I180-D183 PolarHBondContact O-N 3.41Å; D183-S185 PolarHBondContact O-N 2.9Å; D183-S185 VanDerWaalsContact O-N 3.15Å; D183-S186 WeakPolarHBondContact O-CB 3.23Å; D183-S186 PolarHBondContact O-N 3.19Å; D183-S186 PolarHBondContact O-OG 2.9Å
184	T	45.4	Very low	51	Low	69 Å²	69	106.4 Å²	106.4	42%	0.423	55%	0.554	S	S	.	*	H	α-helix	trans	-67.8	-10.2	176.6	58.5	0	0	0	0	114	I180 T181 D182 S186	I180-T184 HydrophobicContact CG2-CG2 4.19Å; I180-T184 VanDerWaalsContact O-CG2 3.25Å; I180-T184 WeakPolarHBondContact O-CG2 3.31Å; I180-T184 PolarHBondContact O-N 3.5Å; I180-T184 PolarHBondContact O-OG1 3.2Å; T181-T184 WeakPolarHBondContact CA-OG1 3.24Å; T181-T184 PolarHBondContact O-N 3.46Å; T181-T184 PolarHBondContact O-OG1 3.34Å; D182-T184 PolarHBondContact O-N 3.37Å; T184-S186 PolarHBondContact O-N 3.4Å; T184-S186 VanDerWaalsContact O-N 3.13Å
185	S	49.4	Very low	50.6	Low	107 Å²	107	105.6 Å²	105.6	75%	0.748	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.3	-18.2	164.2	-49.5	0	0	0	0	112.9	T181 D182 D183	T181-S185 PolarHBondContact O-N 2.92Å; D182-S185 WeakPolarHBondContact O-CB 3.27Å; D182-S185 PolarHBondContact O-N 3.36Å; D182-S185 PolarHBondContact O-OG 3.23Å; D183-S185 PolarHBondContact O-N 2.9Å; D183-S185 VanDerWaalsContact O-N 3.15Å
186	S	45.9	Very low	49.9	Very low	83 Å²	83	104 Å²	104	58%	0.58	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	-34.9	-166.9	75.3	0	0	0	0	116.7	D183 T184	D183-S186 WeakPolarHBondContact O-CB 3.23Å; D183-S186 PolarHBondContact O-N 3.19Å; D183-S186 PolarHBondContact O-OG 2.9Å; T184-S186 PolarHBondContact O-N 3.4Å; T184-S186 VanDerWaalsContact O-N 3.13Å
187	L	40.8	Very low	49.1	Very low	116 Å²	116	104.8 Å²	104.8	61%	0.607	55%	0.55	S	S	*	*			trans	-156.7	132.4	-177.8	-98	128.2	0	0	0	116.1	V189	L187-V189 HydrophobicContact CD2-CG2 3.8Å; L187-V189 PolarHBondContact O-N 2.89Å
188	W	46	Very low	48.7	Very low	245 Å²	245	105.7 Å²	105.7	93%	0.928	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	21.4	179.7	-82.4	74	0	0	0	116.1
189	V	43.6	Very low	48.7	Very low	120 Å²	120	107.9 Å²	107.9	73%	0.727	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	-16.9	-167.9	-179	0	0	0	0	113.5	L187	L187-V189 HydrophobicContact CD2-CG2 3.8Å; L187-V189 PolarHBondContact O-N 2.89Å
190	T	45.2	Very low	48.6	Very low	70 Å²	70	107.7 Å²	107.7	43%	0.429	56%	0.558	S	S	.	*	S	Bend	trans	-88.1	-15.5	-174.3	47.1	0	0	0	0	115.4	I192 H193 T194	T190-I192 VanDerWaalsContact C-N 3.33Å; T190-I192 PolarHBondContact O-N 3.11Å; T190-I192 VanDerWaalsContact O-N 3.1Å; T190-H193 PolarHBondContact O-N 2.95Å; T190-T194 PolarHBondContact O-N 3.01Å; T190-T194 PolarHBondContact O-OG1 3.14Å
191	H	45.8	Very low	48.4	Very low	126 Å²	126	107.5 Å²	107.5	58%	0.583	56%	0.555	S	S	*	*	H	α-helix	trans	-52.7	-40.9	-164.8	-163	57.4	0	0	0	114.9	T194 E195	H191-T194 PolarHBondContact O-OG1 3.5Å; H191-T194 VanDerWaalsContact O-OG1 3.07Å; H191-E195 WeakPolarHBondContact O-CB 3.48Å; H191-E195 PolarHBondContact O-N 3.23Å
192	I	43.1	Very low	48.5	Very low	140 Å²	140	108.6 Å²	108.6	72%	0.718	56%	0.557	S	S	*	*	H	α-helix	trans	-74.6	-29.4	-177.8	-63.5	177.6	0	0	0	112.4	T190 T196	T190-I192 VanDerWaalsContact C-N 3.33Å; T190-I192 PolarHBondContact O-N 3.11Å; T190-I192 VanDerWaalsContact O-N 3.1Å; I192-T196 PolarHBondContact O-OG1 2.8Å
193	H	43.3	Very low	48.8	Very low	136 Å²	136	110.4 Å²	110.4	63%	0.63	56%	0.562	S	S	*	*	H	α-helix	trans	-84.6	-35.7	179.9	-157.5	39.8	0	0	0	111.8	T190 T196 Q197	T190-H193 PolarHBondContact O-N 2.95Å; H193-T196 PolarHBondContact O-OG1 3.11Å; H193-T196 VanDerWaalsContact O-OG1 3.07Å; H193-Q197 WeakPolarHBondContact O-CB 3.45Å; H193-Q197 PolarHBondContact O-N 3.19Å; H193-Q197 VanDerWaalsContact O-N 3.1Å
194	T	50.3	Low	49.2	Very low	39 Å²	39	109 Å²	109	24%	0.239	55%	0.554	C	S	.	*	H	α-helix	trans	-67.5	-37	174.6	49.5	0	0	0	0	112.4	T190 H191 Q197 L198	T190-T194 PolarHBondContact O-N 3.01Å; T190-T194 PolarHBondContact O-OG1 3.14Å; H191-T194 PolarHBondContact O-OG1 3.5Å; H191-T194 VanDerWaalsContact O-OG1 3.07Å; T194-Q197 PolarHBondContact O-N 2.86Å; T194-L198 WeakPolarHBondContact O-CB 3.44Å; T194-L198 VanDerWaalsContact O-CG 3.3Å; T194-L198 WeakPolarHBondContact O-CG 3.42Å; T194-L198 PolarHBondContact O-N 3.04Å
195	E	51.8	Low	49.4	Very low	101 Å²	101	110 Å²	110	47%	0.472	56%	0.556	S	S	.	*	H	α-helix	trans	-67.4	-37.7	178.9	-161.2	-163.8	157.3	0	0	112.1	H191 R199	H191-E195 WeakPolarHBondContact O-CB 3.48Å; H191-E195 PolarHBondContact O-N 3.23Å; E195-R199 WeakPolarHBondContact O-CB 3.13Å; E195-R199 PolarHBondContact O-N 3.11Å; E195-R199 VanDerWaalsContact O-N 3.09Å; E195-R199 IonicContact OE1-NH2 3.42Å; E195-R199 PolarHBondContact OE1-NH2 3.14Å
196	T	51.4	Low	49.6	Very low	77 Å²	77	109.9 Å²	109.9	47%	0.472	55%	0.547	S	S	.	.	H	α-helix	trans	-71	-37.1	175.7	35.2	0	0	0	0	112.2	I192 H193 N200	I192-T196 PolarHBondContact O-OG1 2.8Å; H193-T196 PolarHBondContact O-OG1 3.11Å; H193-T196 VanDerWaalsContact O-OG1 3.07Å; T196-N200 PolarHBondContact O-N 3.47Å
197	Q	47.8	Very low	50.1	Low	108 Å²	108	109.7 Å²	109.7	51%	0.505	55%	0.546	S	S	.	.	H	α-helix	trans	-71	-43.4	176.1	-168.1	160.8	-22.1	0	0	112.5	H193 T194 R199 N200 E201	H193-Q197 WeakPolarHBondContact O-CB 3.45Å; H193-Q197 PolarHBondContact O-N 3.19Å; H193-Q197 VanDerWaalsContact O-N 3.1Å; T194-Q197 PolarHBondContact O-N 2.86Å; Q197-R199 VanDerWaalsContact C-N 3.29Å; Q197-R199 PolarHBondContact O-N 2.94Å; Q197-N200 PolarHBondContact O-N 3.47Å; Q197-E201 WeakPolarHBondContact O-CG 3.41Å; Q197-E201 PolarHBondContact O-N 3.34Å
198	L	51	Low	50.8	Low	110 Å²	110	107 Å²	107	58%	0.576	53%	0.531	S	S	*	.	H	α-helix	trans	-60.4	-37.9	174.1	-75.7	166.6	0	0	0	112.2	T194 E201 M202	T194-L198 WeakPolarHBondContact O-CB 3.44Å; T194-L198 VanDerWaalsContact O-CG 3.3Å; T194-L198 WeakPolarHBondContact O-CG 3.42Å; T194-L198 PolarHBondContact O-N 3.04Å; L198-E201 PolarHBondContact O-N 3.01Å; L198-M202 WeakPolarHBondContact O-CB 3.48Å; L198-M202 PolarHBondContact O-N 3Å
199	R	55.8	Low	51	Low	159 Å²	159	98.4 Å²	98.4	60%	0.6	51%	0.506	S	S	*	.	H	α-helix	trans	-66	-38.9	176.6	-166.1	178.7	-67.2	-113.8	3.8	112.3	E195 Q197 M202 E203	E195-R199 WeakPolarHBondContact O-CB 3.13Å; E195-R199 PolarHBondContact O-N 3.11Å; E195-R199 VanDerWaalsContact O-N 3.09Å; E195-R199 IonicContact OE1-NH2 3.42Å; E195-R199 PolarHBondContact OE1-NH2 3.14Å; Q197-R199 VanDerWaalsContact C-N 3.29Å; Q197-R199 PolarHBondContact O-N 2.94Å; R199-M202 PolarHBondContact O-N 3.46Å; R199-E203 PolarHBondContact O-N 3.47Å; R199-E203 VanDerWaalsContact O-N 3.08Å
200	N	55.1	Low	51.8	Low	100 Å²	100	96.4 Å²	96.4	54%	0.535	49%	0.489	S	S	.	.	H	α-helix	trans	-64.3	-45.9	172.2	-94.5	23	0	0	0	112.3	T196 Q197 M202 E203 I204	T196-N200 PolarHBondContact O-N 3.47Å; Q197-N200 PolarHBondContact O-N 3.47Å; N200-M202 VanDerWaalsContact C-N 3.27Å; N200-M202 PolarHBondContact O-N 3.27Å; N200-E203 PolarHBondContact O-N 3.48Å; N200-I204 WeakPolarHBondContact O-CG1 3.08Å; N200-I204 PolarHBondContact O-N 2.82Å
201	E	52.4	Low	52.2	Low	76 Å²	76	96.8 Å²	96.8	36%	0.355	49%	0.488	S	S	.	.	H	α-helix	trans	-64.6	-33.1	177.9	-66.1	-60	155.3	0	0	111.8	Q197 L198 I204 L205	Q197-E201 WeakPolarHBondContact O-CG 3.41Å; Q197-E201 PolarHBondContact O-N 3.34Å; L198-E201 PolarHBondContact O-N 3.01Å; E201-I204 PolarHBondContact O-N 3.06Å; E201-L205 WeakPolarHBondContact O-CB 3.48Å; E201-L205 PolarHBondContact O-N 3.19Å
202	M	53.7	Low	52.2	Low	94 Å²	94	95.1 Å²	95.1	46%	0.463	48%	0.483	S	S	.	.	H	α-helix	trans	-67.4	-37.1	173.1	-156.9	68.3	165.7	0	0	112.3	E39 L198 R199 N200 L205 N206	E39-M202 HydrophobicContact CG-CE 4.39Å; E39-M202 VanDerWaalsContact OE1-CE 3.22Å; E39-M202 WeakPolarHBondContact OE1-CE 3.3Å; L198-M202 WeakPolarHBondContact O-CB 3.48Å; L198-M202 PolarHBondContact O-N 3Å; R199-M202 PolarHBondContact O-N 3.46Å; N200-M202 VanDerWaalsContact C-N 3.27Å; N200-M202 PolarHBondContact O-N 3.27Å; M202-L205 PolarHBondContact O-N 3.2Å; M202-N206 VanDerWaalsContact O-CB 3.3Å; M202-N206 WeakPolarHBondContact O-CB 3.49Å; M202-N206 PolarHBondContact O-N 3.48Å
203	E	58.8	Low	52.8	Low	130 Å²	130	95.6 Å²	95.6	61%	0.607	48%	0.476	S	S	*	.	H	α-helix	trans	-65.7	-37.9	171	-76.5	-172.8	161.5	0	0	112.1	R199 N200 N206 S207	R199-E203 PolarHBondContact O-N 3.47Å; R199-E203 VanDerWaalsContact O-N 3.08Å; N200-E203 PolarHBondContact O-N 3.48Å; E203-N206 PolarHBondContact O-N 3.33Å; E203-S207 WeakPolarHBondContact O-CB 3.42Å; E203-S207 PolarHBondContact O-N 2.9Å
204	I	57	Low	53.1	Low	84 Å²	84	93.3 Å²	93.3	43%	0.431	47%	0.468	S	S	.	.	H	α-helix	trans	-64.6	-46.2	174.4	-67.3	167.4	0	0	0	110.7	N200 E201 N206 S207 I208	N200-I204 WeakPolarHBondContact O-CG1 3.08Å; N200-I204 PolarHBondContact O-N 2.82Å; E201-I204 PolarHBondContact O-N 3.06Å; I204-N206 PolarHBondContact O-N 3.37Å; I204-S207 WeakPolarHBondContact O-CB 3.32Å; I204-S207 PolarHBondContact O-N 2.89Å; I204-I208 HydrophobicContact CG2-CD1 3.87Å; I204-I208 VanDerWaalsContact O-CG1 3.3Å; I204-I208 WeakPolarHBondContact O-CG1 3.34Å; I204-I208 PolarHBondContact O-N 2.96Å
205	L	49.3	Very low	53.3	Low	88 Å²	88	96.3 Å²	96.3	46%	0.461	48%	0.478	S	S	.	.	H	α-helix	trans	-61.6	-41.7	175.5	-84.2	161.7	0	0	0	112.3	E201 M202 I208 T209	E201-L205 WeakPolarHBondContact O-CB 3.48Å; E201-L205 PolarHBondContact O-N 3.19Å; M202-L205 PolarHBondContact O-N 3.2Å; L205-I208 PolarHBondContact O-N 3.38Å; L205-T209 WeakPolarHBondContact O-CB 2.99Å; L205-T209 PolarHBondContact O-N 3.48Å; L205-T209 PolarHBondContact O-OG1 3.5Å
206	N	53.5	Low	53.2	Low	105 Å²	105	96.5 Å²	96.5	56%	0.561	48%	0.482	S	S	*	.	H	α-helix	trans	-67.7	-37.6	176.8	-160.2	33.8	0	0	0	111.6	M202 E203 I204 T209 E210	M202-N206 VanDerWaalsContact O-CB 3.3Å; M202-N206 WeakPolarHBondContact O-CB 3.49Å; M202-N206 PolarHBondContact O-N 3.48Å; E203-N206 PolarHBondContact O-N 3.33Å; I204-N206 PolarHBondContact O-N 3.37Å; N206-T209 PolarHBondContact O-N 3.48Å; N206-E210 PolarHBondContact O-N 2.85Å
207	S	57.4	Low	53	Low	80 Å²	80	100 Å²	100	56%	0.559	49%	0.487	S	S	*	.	H	α-helix	trans	-63.7	-42.3	172	-173.1	0	0	0	0	112.2	E203 I204 T209 D211	E203-S207 WeakPolarHBondContact O-CB 3.42Å; E203-S207 PolarHBondContact O-N 2.9Å; I204-S207 WeakPolarHBondContact O-CB 3.32Å; I204-S207 PolarHBondContact O-N 2.89Å; S207-T209 VanDerWaalsContact C-N 3.3Å; S207-D211 VanDerWaalsContact O-CB 3.29Å; S207-D211 WeakPolarHBondContact O-CB 3.39Å; S207-D211 PolarHBondContact O-N 3.15Å
208	I	53.6	Low	53.1	Low	58 Å²	58	100.2 Å²	100.2	30%	0.297	49%	0.487	S	S	.	.	H	α-helix	trans	-64.2	-39.6	175.3	-69.5	164.2	0	0	0	110.2	I204 L205 D211 L212	I204-I208 HydrophobicContact CG2-CD1 3.87Å; I204-I208 VanDerWaalsContact O-CG1 3.3Å; I204-I208 WeakPolarHBondContact O-CG1 3.34Å; I204-I208 PolarHBondContact O-N 2.96Å; L205-I208 PolarHBondContact O-N 3.38Å; I208-D211 PolarHBondContact O-N 2.96Å; I208-L212 HydrophobicContact CG2-CD1 3.93Å; I208-L212 HydrophobicContact CG2-CG 4.4Å; I208-L212 WeakPolarHBondContact O-CB 3.32Å; I208-L212 VanDerWaalsContact O-CG 3.3Å; I208-L212 WeakPolarHBondContact O-CG 3.31Å; I208-L212 PolarHBondContact O-N 3.44Å
209	T	51.1	Low	53.1	Low	66 Å²	66	100.7 Å²	100.7	41%	0.405	49%	0.486	S	S	.	.	H	α-helix	trans	-64.7	-45.8	179.6	-56.1	0	0	0	0	111.4	L205 N206 S207 R213	L205-T209 WeakPolarHBondContact O-CB 2.99Å; L205-T209 PolarHBondContact O-N 3.48Å; L205-T209 PolarHBondContact O-OG1 3.5Å; N206-T209 PolarHBondContact O-N 3.48Å; S207-T209 VanDerWaalsContact C-N 3.3Å; T209-R213 WeakPolarHBondContact O-CB 3.27Å; T209-R213 PolarHBondContact O-N 2.94Å
210	E	60.3	Low	52.6	Low	78 Å²	78	95.2 Å²	95.2	36%	0.364	47%	0.473	S	S	.	.	H	α-helix	trans	-70.5	-32.6	174.3	-76	-64.4	146	0	0	113.2	N206 R213 L214	N206-E210 PolarHBondContact O-N 2.85Å; E210-R213 VanDerWaalsContact CD-NE 3.28Å; E210-R213 CarbonylContact O-C 3.57Å; E210-R213 PolarHBondContact O-N 3.48Å; E210-R213 IonicContact OE1-CZ 2.62Å; E210-R213 IonicContact OE1-NE 3.89Å; E210-R213 PolarHBondContact OE1-NE 3.5Å; E210-R213 IonicContact OE1-NH2 3.69Å; E210-R213 IonicContact OE2-CZ 3.99Å; E210-R213 VanDerWaalsContact OE2-CZ 3.31Å; E210-R213 IonicContact OE2-NE 3.32Å; E210-R213 PolarHBondContact OE2-NE 3.4Å; E210-R213 IonicContact OE2-NH2 3.05Å; E210-R213 PolarHBondContact OE2-NH2 2.95Å; E210-L214 WeakPolarHBondContact O-CB 3.4Å; E210-L214 WeakPolarHBondContact O-CG 3.4Å; E210-L214 PolarHBondContact O-N 3.04Å
211	D	53.3	Low	52.3	Low	78 Å²	78	93.4 Å²	93.4	42%	0.417	46%	0.462	S	S	.	.	H	α-helix	trans	-68.7	-36.5	176.1	-159.6	63.2	0	0	0	111.9	S207 I208 K215	S207-D211 VanDerWaalsContact O-CB 3.29Å; S207-D211 WeakPolarHBondContact O-CB 3.39Å; S207-D211 PolarHBondContact O-N 3.15Å; I208-D211 PolarHBondContact O-N 2.96Å; D211-K215 WeakPolarHBondContact O-CG 3.39Å; D211-K215 PolarHBondContact O-N 2.65Å; D211-K215 VanDerWaalsContact O-N 3.11Å; D211-K215 WeakPolarHBondContact OD2-CE 3.29Å; D211-K215 IonicContact OD2-NZ 2.83Å; D211-K215 PolarHBondContact OD2-NZ 3.17Å
212	L	47.2	Very low	52.3	Low	90 Å²	90	93.3 Å²	93.3	47%	0.471	47%	0.466	S	S	.	.	H	α-helix	trans	-65.5	-44	167.8	-72.5	170	0	0	0	111.1	I208 L214 K215 D216	I208-L212 HydrophobicContact CG2-CD1 3.93Å; I208-L212 HydrophobicContact CG2-CG 4.4Å; I208-L212 WeakPolarHBondContact O-CB 3.32Å; I208-L212 VanDerWaalsContact O-CG 3.3Å; I208-L212 WeakPolarHBondContact O-CG 3.31Å; I208-L212 PolarHBondContact O-N 3.44Å; L212-L214 VanDerWaalsContact C-N 3.31Å; L212-L214 PolarHBondContact O-N 3.2Å; L212-K215 PolarHBondContact O-N 2.9Å; L212-D216 PolarHBondContact O-N 3.48Å
213	R	53.7	Low	52	Low	150 Å²	150	94.4 Å²	94.4	57%	0.566	47%	0.474	S	S	*	.	H	α-helix	trans	-64.4	-33.6	178.9	-153.7	177.5	75.1	74.4	9.3	112.9	T209 E210 W217	T209-R213 WeakPolarHBondContact O-CB 3.27Å; T209-R213 PolarHBondContact O-N 2.94Å; E210-R213 VanDerWaalsContact CD-NE 3.28Å; E210-R213 CarbonylContact O-C 3.57Å; E210-R213 PolarHBondContact O-N 3.48Å; E210-R213 IonicContact OE1-CZ 2.62Å; E210-R213 IonicContact OE1-NE 3.89Å; E210-R213 PolarHBondContact OE1-NE 3.5Å; E210-R213 IonicContact OE1-NH2 3.69Å; E210-R213 IonicContact OE2-CZ 3.99Å; E210-R213 VanDerWaalsContact OE2-CZ 3.31Å; E210-R213 IonicContact OE2-NE 3.32Å; E210-R213 PolarHBondContact OE2-NE 3.4Å; E210-R213 IonicContact OE2-NH2 3.05Å; E210-R213 PolarHBondContact OE2-NH2 2.95Å; R213-W217 WeakPolarHBondContact O-CB 3.47Å; R213-W217 PolarHBondContact O-N 3.35Å
214	L	50.6	Low	51.3	Low	89 Å²	89	93.4 Å²	93.4	47%	0.466	47%	0.467	S	S	.	.	H	α-helix	trans	-68.4	-44.8	171.9	-85.1	158.6	0	0	0	111.5	E210 L212 D216 W217 E218	E210-L214 WeakPolarHBondContact O-CB 3.4Å; E210-L214 WeakPolarHBondContact O-CG 3.4Å; E210-L214 PolarHBondContact O-N 3.04Å; L212-L214 VanDerWaalsContact C-N 3.31Å; L212-L214 PolarHBondContact O-N 3.2Å; L214-D216 PolarHBondContact O-N 2.87Å; L214-W217 WeakPolarHBondContact O-CB 3.27Å; L214-W217 PolarHBondContact O-N 2.83Å; L214-E218 WeakPolarHBondContact O-CG 3.42Å; L214-E218 PolarHBondContact O-N 2.98Å
215	K	54.2	Low	50.7	Low	102 Å²	102	93.6 Å²	93.6	44%	0.443	47%	0.469	S	S	.	.	H	α-helix	trans	-64.9	-36.7	176	-74	168.5	-169.4	153.9	0	113.1	D211 L212 E218 H219	D211-K215 WeakPolarHBondContact O-CG 3.39Å; D211-K215 PolarHBondContact O-N 2.65Å; D211-K215 VanDerWaalsContact O-N 3.11Å; D211-K215 WeakPolarHBondContact OD2-CE 3.29Å; D211-K215 IonicContact OD2-NZ 2.83Å; D211-K215 PolarHBondContact OD2-NZ 3.17Å; L212-K215 PolarHBondContact O-N 2.9Å; K215-E218 PolarHBondContact O-N 3.44Å; K215-H219 WeakPolarHBondContact O-CB 3.3Å; K215-H219 PolarHBondContact O-N 3.48Å; K215-H219 PolarHBondContact O-ND1 3.38Å
216	D	49.6	Very low	50.4	Low	105 Å²	105	95.9 Å²	95.9	56%	0.561	48%	0.481	S	S	*	.	H	α-helix	trans	-65.8	-39.6	171.9	-111.7	11.8	0	0	0	111.5	L212 L214 S220	L212-D216 PolarHBondContact O-N 3.48Å; L214-D216 PolarHBondContact O-N 2.87Å; D216-S220 VanDerWaalsContact O-CB 3.24Å; D216-S220 WeakPolarHBondContact O-CB 3.41Å; D216-S220 PolarHBondContact O-N 2.57Å
217	W	47.3	Very low	49.8	Very low	151 Å²	151	96 Å²	96	57%	0.572	49%	0.486	S	S	*	.	H	α-helix	trans	-66.9	-42	174.8	-179	85.2	0	0	0	112.1	R213 L214 S220 M221	R213-W217 WeakPolarHBondContact O-CB 3.47Å; R213-W217 PolarHBondContact O-N 3.35Å; L214-W217 WeakPolarHBondContact O-CB 3.27Å; L214-W217 PolarHBondContact O-N 2.83Å; W217-S220 PolarHBondContact O-N 2.99Å; W217-M221 HydrophobicContact CD2-CG 4.17Å; W217-M221 HydrophobicContact CE3-CG 4.5Å; W217-M221 HydrophobicContact CH2-CG 4.22Å; W217-M221 HydrophobicContact CZ2-CG 3.86Å; W217-M221 WeakPolarHBondContact O-CB 3.29Å; W217-M221 WeakPolarHBondContact O-CG 3.3Å; W217-M221 PolarHBondContact O-N 2.98Å
218	E	49.5	Very low	48.6	Very low	112 Å²	112	96.6 Å²	96.6	52%	0.523	49%	0.486	S	S	.	.	H	α-helix	trans	-63.8	-44.6	174.6	-73.3	-174.3	161	0	0	111.7	L214 K215 M221 T222	L214-E218 WeakPolarHBondContact O-CG 3.42Å; L214-E218 PolarHBondContact O-N 2.98Å; K215-E218 PolarHBondContact O-N 3.44Å; E218-M221 CarbonylContact O-C 3.59Å; E218-M221 PolarHBondContact O-N 3.1Å; E218-T222 WeakPolarHBondContact O-CG2 3.47Å; E218-T222 PolarHBondContact O-N 3.28Å; E218-T222 PolarHBondContact O-OG1 2.9Å
219	H	51.5	Low	47.8	Very low	119 Å²	119	101.1 Å²	101.1	55%	0.551	51%	0.51	S	S	*	.	H	α-helix	trans	-64.4	-38.2	173.3	-87.2	80.9	0	0	0	112.8	K215 M221 T222 L223	K215-H219 WeakPolarHBondContact O-CB 3.3Å; K215-H219 PolarHBondContact O-N 3.48Å; K215-H219 PolarHBondContact O-ND1 3.38Å; H219-M221 VanDerWaalsContact C-N 3.29Å; H219-M221 PolarHBondContact O-N 3.39Å; H219-T222 WeakPolarHBondContact CA-OG1 3.36Å; H219-T222 PolarHBondContact O-N 2.84Å; H219-T222 PolarHBondContact O-OG1 3.44Å; H219-T222 VanDerWaalsContact O-OG1 3.05Å; H219-L223 WeakPolarHBondContact O-CB 3.29Å; H219-L223 WeakPolarHBondContact O-CG 3.31Å; H219-L223 PolarHBondContact O-N 2.76Å
220	S	44.8	Very low	47.2	Very low	45 Å²	45	107 Å²	107	32%	0.315	53%	0.533	S	S	.	.	H	α-helix	trans	-63.4	-36.3	172.8	-169.9	0	0	0	0	111.7	D216 W217 K224	D216-S220 VanDerWaalsContact O-CB 3.24Å; D216-S220 WeakPolarHBondContact O-CB 3.41Å; D216-S220 PolarHBondContact O-N 2.57Å; W217-S220 PolarHBondContact O-N 2.99Å; S220-K224 WeakPolarHBondContact O-CB 3.38Å; S220-K224 WeakPolarHBondContact O-CD 3.37Å; S220-K224 VanDerWaalsContact O-CG 3.23Å; S220-K224 WeakPolarHBondContact O-CG 3.46Å; S220-K224 PolarHBondContact O-N 3.38Å; S220-K224 PolarHBondContact OG-NZ 3.22Å; S220-K224 VanDerWaalsContact OG-NZ 3.11Å
221	M	48.9	Very low	45.8	Very low	62 Å²	62	107.6 Å²	107.6	31%	0.305	55%	0.551	S	S	.	*	H	α-helix	trans	-76.8	-35.8	177.5	-78.4	-62.2	-65.5	0	0	113.1	W217 E218 H219 K224 N225	W217-M221 HydrophobicContact CD2-CG 4.17Å; W217-M221 HydrophobicContact CE3-CG 4.5Å; W217-M221 HydrophobicContact CH2-CG 4.22Å; W217-M221 HydrophobicContact CZ2-CG 3.86Å; W217-M221 WeakPolarHBondContact O-CB 3.29Å; W217-M221 WeakPolarHBondContact O-CG 3.3Å; W217-M221 PolarHBondContact O-N 2.98Å; E218-M221 CarbonylContact O-C 3.59Å; E218-M221 PolarHBondContact O-N 3.1Å; H219-M221 VanDerWaalsContact C-N 3.29Å; H219-M221 PolarHBondContact O-N 3.39Å; M221-K224 PolarHBondContact O-N 3.43Å; M221-K224 HydrophobicContact SD-CD 4.13Å; M221-N225 VanDerWaalsContact O-CB 3.26Å; M221-N225 WeakPolarHBondContact O-CB 3.49Å; M221-N225 PolarHBondContact O-N 3.38Å; M221-N225 PolarHBondContact O-ND2 3.27Å
222	T	53.1	Low	45.4	Very low	74 Å²	74	106.6 Å²	106.6	45%	0.454	56%	0.559	S	S	.	*	H	α-helix	trans	-67	-42.1	172.3	55.1	0	0	0	0	111	E218 H219 K224 N225 L226	E218-T222 WeakPolarHBondContact O-CG2 3.47Å; E218-T222 PolarHBondContact O-N 3.28Å; E218-T222 PolarHBondContact O-OG1 2.9Å; H219-T222 WeakPolarHBondContact CA-OG1 3.36Å; H219-T222 PolarHBondContact O-N 2.84Å; H219-T222 PolarHBondContact O-OG1 3.44Å; H219-T222 VanDerWaalsContact O-OG1 3.05Å; T222-K224 PolarHBondContact O-N 2.89Å; T222-N225 PolarHBondContact O-N 2.96Å; T222-L226 WeakPolarHBondContact O-CD1 3.38Å; T222-L226 PolarHBondContact O-N 3.39Å
223	L	47.5	Very low	45.1	Very low	117 Å²	117	108.2 Å²	108.2	61%	0.613	58%	0.575	S	S	*	*	H	α-helix	trans	-59.1	-45.9	170.9	-77.5	164.6	0	0	0	112	H219 N225 L226 T227	H219-L223 WeakPolarHBondContact O-CB 3.29Å; H219-L223 WeakPolarHBondContact O-CG 3.31Å; H219-L223 PolarHBondContact O-N 2.76Å; L223-N225 VanDerWaalsContact C-N 3.34Å; L223-N225 PolarHBondContact O-N 2.95Å; L223-L226 PolarHBondContact O-N 2.96Å; L223-T227 WeakPolarHBondContact O-CG2 3.35Å; L223-T227 PolarHBondContact O-N 3.47Å; L223-T227 PolarHBondContact O-OG1 2.85Å
224	K	44	Very low	44.7	Very low	109 Å²	109	107.4 Å²	107.4	47%	0.474	59%	0.589	S	S	.	*	H	α-helix	trans	-61.8	-39.5	175	-79.3	165.5	-177.7	149.2	0	112.7	S220 M221 T222 T227 T228	S220-K224 WeakPolarHBondContact O-CB 3.38Å; S220-K224 WeakPolarHBondContact O-CD 3.37Å; S220-K224 VanDerWaalsContact O-CG 3.23Å; S220-K224 WeakPolarHBondContact O-CG 3.46Å; S220-K224 PolarHBondContact O-N 3.38Å; S220-K224 PolarHBondContact OG-NZ 3.22Å; S220-K224 VanDerWaalsContact OG-NZ 3.11Å; M221-K224 PolarHBondContact O-N 3.43Å; M221-K224 HydrophobicContact SD-CD 4.13Å; T222-K224 PolarHBondContact O-N 2.89Å; K224-T227 WeakPolarHBondContact CA-OG1 3.4Å; K224-T227 PolarHBondContact O-N 3.11Å; K224-T227 PolarHBondContact O-OG1 3.34Å; K224-T228 PolarHBondContact O-N 2.89Å; K224-T228 VanDerWaalsContact O-N 3.1Å; K224-T228 PolarHBondContact O-OG1 3.04Å; K224-T228 VanDerWaalsContact O-OG1 3.07Å
225	N	44.5	Very low	44.4	Very low	87 Å²	87	106.1 Å²	106.1	47%	0.465	60%	0.597	S	S	.	*	H	α-helix	trans	-71.8	-31.7	179	-71.8	-14.7	0	0	0	112.8	M221 T222 L223 T228	M221-N225 VanDerWaalsContact O-CB 3.26Å; M221-N225 WeakPolarHBondContact O-CB 3.49Å; M221-N225 PolarHBondContact O-N 3.38Å; M221-N225 PolarHBondContact O-ND2 3.27Å; T222-N225 PolarHBondContact O-N 2.96Å; L223-N225 VanDerWaalsContact C-N 3.34Å; L223-N225 PolarHBondContact O-N 2.95Å; N225-T228 WeakPolarHBondContact CA-OG1 3.45Å; N225-T228 PolarHBondContact O-OG1 3.05Å
226	L	43.1	Very low	43.7	Very low	136 Å²	136	107.5 Å²	107.5	71%	0.712	62%	0.617	S	S	*	*	H	α-helix	trans	-65	-40.6	166.4	-93.6	89.9	0	0	0	111.3	T222 L223 T228	T222-L226 WeakPolarHBondContact O-CD1 3.38Å; T222-L226 PolarHBondContact O-N 3.39Å; L223-L226 PolarHBondContact O-N 2.96Å; L226-T228 VanDerWaalsContact C-N 3.3Å; L226-T228 PolarHBondContact O-N 2.99Å
227	T	39.7	Very low	43.4	Very low	108 Å²	108	112.6 Å²	112.6	66%	0.663	63%	0.634	S	S	*	*	H	α-helix	trans	-72.9	-13.5	179	58.6	0	0	0	0	115.2	L223 K224	L223-T227 WeakPolarHBondContact O-CG2 3.35Å; L223-T227 PolarHBondContact O-N 3.47Å; L223-T227 PolarHBondContact O-OG1 2.85Å; K224-T227 WeakPolarHBondContact CA-OG1 3.4Å; K224-T227 PolarHBondContact O-N 3.11Å; K224-T227 PolarHBondContact O-OG1 3.34Å
228	T	34	Very low	43.2	Very low	92 Å²	92	108.5 Å²	108.5	56%	0.564	64%	0.639	S	S	*	*	H	α-helix	trans	-97.1	-6.6	-179.2	42.9	0	0	0	0	115	K224 N225 L226	K224-T228 PolarHBondContact O-N 2.89Å; K224-T228 VanDerWaalsContact O-N 3.1Å; K224-T228 PolarHBondContact O-OG1 3.04Å; K224-T228 VanDerWaalsContact O-OG1 3.07Å; N225-T228 WeakPolarHBondContact CA-OG1 3.45Å; N225-T228 PolarHBondContact O-OG1 3.05Å; L226-T228 VanDerWaalsContact C-N 3.3Å; L226-T228 PolarHBondContact O-N 2.99Å
229	L	35.3	Very low	43	Very low	154 Å²	154	112.5 Å²	112.5	81%	0.806	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-10.8	-178.6	-86.4	164.5	0	0	0	115.6
230	E	38.2	Very low	42.7	Very low	189 Å²	189	116.4 Å²	116.4	88%	0.883	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.8	43.7	172.4	-69.5	-160	146.4	0	0	113.3	G232	E230-G232 PolarHBondContact O-N 3.33Å
231	A	32.2	Very low	42.5	Very low	91 Å²	91	117.4 Å²	117.4	75%	0.752	69%	0.69	S	S	*	*			trans	-72.5	77.7	163.8	0	0	0	0	0	110.7
232	G	44.8	Very low	42.3	Very low	56 Å²	56	122.5 Å²	122.5	58%	0.577	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-54.5	153.6	163.7	0	0	0	0	0	111.2	E230	E230-G232 PolarHBondContact O-N 3.33Å
233	P	40.1	Very low	42	Very low	124 Å²	124	125.4 Å²	125.4	81%	0.805	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-57.8	144.7	-173.1	23.5	-33.8	0	0	0	111.7	G235	P233-G235 PolarHBondContact O-N 3.36Å
234	P	46.7	Very low	41.5	Very low	133 Å²	133	122.8 Å²	122.8	86%	0.864	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-54.3	124.3	-173.4	-27	34.3	0	0	0	112.5
235	G	43	Very low	41.4	Very low	62 Å²	62	126.6 Å²	126.6	64%	0.639	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-57.6	149.6	172.7	0	0	0	0	0	111.3	P233 K237	P233-G235 PolarHBondContact O-N 3.36Å; G235-K237 PolarHBondContact O-N 3.04Å
236	P	40.7	Very low	41.3	Very low	132 Å²	132	128.9 Å²	128.9	86%	0.857	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-57.1	136.4	-178.6	24.2	-33.8	0	0	0	110.7	G238	P236-G238 PolarHBondContact O-N 3.2Å
237	K	43.4	Very low	41.2	Very low	211 Å²	211	125.4 Å²	125.4	92%	0.917	77%	0.771	S	S	*	*			trans	-57.3	112.4	-179.4	-175.7	177	-177	176.3	0	109.7	G235	G235-K237 PolarHBondContact O-N 3.04Å
238	G	42.5	Very low	41.4	Very low	65 Å²	65	128.8 Å²	128.8	67%	0.67	78%	0.779	S	S	*	*			trans	-56.1	146.7	-179	0	0	0	0	0	112.6	P236	P236-G238 PolarHBondContact O-N 3.2Å
239	E	45.2	Very low	42.1	Very low	197 Å²	197	130.3 Å²	130.3	92%	0.921	79%	0.791	S	S	*	*			trans	-60.7	146.3	177	-65.4	-173.5	138.5	0	0	110.9	G241	E239-G241 PolarHBondContact O-N 3.35Å; E239-G241 VanDerWaalsContact O-N 3.09Å
240	K	45.8	Very low	42.3	Very low	201 Å²	201	126.2 Å²	126.2	87%	0.874	79%	0.786	S	S	*	*			trans	-70.2	108.2	-178.8	-176.5	-175.4	179.6	-173	0	108.5
241	G	40.9	Very low	42.6	Very low	66 Å²	66	124.1 Å²	124.1	68%	0.68	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-53.1	142.9	-179.6	0	0	0	0	0	113.2	E239	E239-G241 PolarHBondContact O-N 3.35Å; E239-G241 VanDerWaalsContact O-N 3.09Å
242	D	43.8	Very low	43.4	Very low	168 Å²	168	125.3 Å²	125.3	90%	0.898	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-59.1	144.4	-178.1	-73	-52.7	0	0	0	112.5	G244	D242-G244 PolarHBondContact O-N 2.88Å
243	V	45.9	Very low	43.1	Very low	136 Å²	136	126 Å²	126	82%	0.824	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-67	119.2	175.5	176.9	0	0	0	0	108.8	Q245	V243-Q245 PolarHBondContact O-N 3.44Å
244	G	38.1	Very low	43.1	Very low	62 Å²	62	128.7 Å²	128.7	64%	0.639	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-55.6	137	177.1	0	0	0	0	0	111.9	D242 T246	D242-G244 PolarHBondContact O-N 2.88Å; G244-T246 PolarHBondContact O-N 3.38Å
245	Q	41.7	Very low	42.7	Very low	189 Å²	189	128.1 Å²	128.1	88%	0.883	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-62.7	126.1	-177.8	-66.8	-175.7	6.7	0	0	111.1	V243 G247	V243-Q245 PolarHBondContact O-N 3.44Å; Q245-G247 PolarHBondContact O-N 3.24Å
246	T	43.2	Very low	42.3	Very low	134 Å²	134	129 Å²	129	82%	0.822	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-60	130.5	173.7	-41	0	0	0	0	110.3	G244	G244-T246 PolarHBondContact O-N 3.38Å
247	G	39.4	Very low	42.4	Very low	64 Å²	64	131.4 Å²	131.4	66%	0.66	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-57.3	146	178.6	0	0	0	0	0	113	Q245	Q245-G247 PolarHBondContact O-N 3.24Å
248	H	44.1	Very low	42	Very low	178 Å²	178	131 Å²	131	82%	0.824	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-62	136.3	-177.3	-58.7	-45	0	0	0	112.1
249	P	49.9	Very low	41.7	Very low	125 Å²	125	131.5 Å²	131.5	81%	0.812	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-59.7	141.5	175.5	-24.6	34.5	0	0	0	112.8
250	G	39.5	Very low	41.7	Very low	68 Å²	68	131.7 Å²	131.7	70%	0.701	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-63.1	148.8	175.9	0	0	0	0	0	112.9	P252	G250-P252 WeakPolarHBondContact O-CD 3.35Å
251	V	44.2	Very low	41.2	Very low	145 Å²	145	132.1 Å²	132.1	88%	0.879	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-63.4	123.1	-175.1	-170.2	0	0	0	0	110.9
252	P	49.3	Very low	41.1	Very low	116 Å²	116	132.4 Å²	132.4	75%	0.753	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-66	143	175.9	-22.6	34.6	0	0	0	112.8	G250	G250-P252 WeakPolarHBondContact O-CD 3.35Å
253	G	37.9	Very low	40.7	Very low	70 Å²	70	132.7 Å²	132.7	72%	0.722	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-67.9	138.4	178.4	0	0	0	0	0	113.2	S255	G253-S255 PolarHBondContact O-N 2.82Å
254	I	40.7	Very low	40.4	Very low	180 Å²	180	135.2 Å²	135.2	92%	0.923	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-59.2	127.1	175.6	41.3	171.8	0	0	0	112
255	S	37.8	Very low	40.5	Very low	121 Å²	121	135.4 Å²	135.4	85%	0.846	83%	0.826	S	S	*	*			trans	-126.2	155.1	172.8	-70.6	0	0	0	0	110.5	G253	G253-S255 PolarHBondContact O-N 2.82Å
256	G	34.6	Very low	41	Very low	81 Å²	81	132.4 Å²	132.4	84%	0.835	82%	0.823	S	S	*	*			trans	-70.5	163.3	-154.5	0	0	0	0	0	118.7
257	L	41.8	Very low	40.9	Very low	182 Å²	182	137.2 Å²	137.2	95%	0.953	83%	0.826	S	S	*	*			trans	-81.3	122.7	178.9	-68.6	165.8	0	0	0	113.2
258	Q	36.8	Very low	41	Very low	204 Å²	204	137.7 Å²	137.7	95%	0.953	83%	0.831	S	S	*	*			trans	-172.2	137.6	156.1	-131.7	172.3	2.5	0	0	109
259	G	35.5	Very low	40.9	Very low	75 Å²	75	135.1 Å²	135.1	77%	0.773	83%	0.828	S	S	*	*			cis	-174.3	154.6	-10.5	0	0	0	0	0	108.8
260	E	43.9	Very low	40.4	Very low	201 Å²	201	138.2 Å²	138.2	94%	0.939	83%	0.831	S	S	*	*			trans	-83.1	151.7	-170.9	-67.3	-170.3	135.3	0	0	116.1
261	K	37	Very low	40.4	Very low	210 Å²	210	138.1 Å²	138.1	91%	0.913	83%	0.83	S	S	*	*			trans	-161.8	106.7	163.1	-141.1	173.6	-175.2	178.2	0	108.4
262	G	38	Very low	40.6	Very low	72 Å²	72	136.8 Å²	136.8	74%	0.742	83%	0.825	S	S	*	*				82.1	136.7	92	0	0	0	0	0	113.1
263	M	35.7	Very low	40.9	Very low	173 Å²	173	137.6 Å²	137.6	85%	0.852	83%	0.83	S	S	*	*			cis	-159.7	157.2	7	-58.1	-170.6	-63.5	0	0	112.8
264	Q	39	Very low	41	Very low	190 Å²	190	138 Å²	138	89%	0.888	84%	0.835	S	S	*	*			trans	55	143	137	-164.2	169.3	89.9	0	0	121.2
265	G	39.8	Very low	41.1	Very low	66 Å²	66	134 Å²	134	68%	0.68	83%	0.828	S	S	*	*			cis	175.9	-152.4	2.1	0	0	0	0	0	108.5
266	P	53.3	Low	41.5	Very low	126 Å²	126	136.2 Å²	136.2	82%	0.818	83%	0.83	S	S	*	*			cis	-139.4	173.5	-32.8	42.9	-26.5	0	0	0	116.2
267	R	41	Very low	41.8	Very low	235 Å²	235	135.3 Å²	135.3	89%	0.887	82%	0.821	S	S	*	*			trans	86.4	124.1	141.7	-156.2	175.8	-166.4	-174.1	3.4	123.1
268	G	41	Very low	42.4	Very low	73 Å²	73	133 Å²	133	75%	0.753	82%	0.817	S	S	*	*			trans	-168.5	133.2	152	0	0	0	0	0	111.1
269	V	41.6	Very low	43.1	Very low	125 Å²	125	132.9 Å²	132.9	76%	0.758	81%	0.808	S	S	*	*			trans	-135.7	147.8	178.2	-77.7	0	0	0	0	107
270	Q	40	Very low	43.5	Very low	189 Å²	189	132.9 Å²	132.9	88%	0.883	81%	0.808	S	S	*	*			cis	-170.8	167.1	46.9	-178.1	163.7	-24.8	0	0	107.4
271	G	39	Very low	43.8	Very low	66 Å²	66	130.8 Å²	130.8	68%	0.68	80%	0.799	S	S	*	*			cis	-175.7	-156.2	7.8	0	0	0	0	0	113.1
272	P	49.7	Very low	44.3	Very low	118 Å²	118	130.5 Å²	130.5	77%	0.766	80%	0.797	S	S	*	*			trans	-117.4	-170.2	-166.2	44	-34.7	0	0	0	114.4
273	P	55.9	Low	44.8	Very low	132 Å²	132	130.6 Å²	130.6	86%	0.857	80%	0.799	S	S	*	*			cis	-130	-176.3	-33.3	30	-9.6	0	0	0	113.6
274	G	39.7	Very low	45.4	Very low	80 Å²	80	131.8 Å²	131.8	83%	0.825	80%	0.802	S	S	*	*			trans	-162.1	132.5	161.4	0	0	0	0	0	113.6
275	A	42.3	Very low	46.2	Very low	95 Å²	95	134.3 Å²	134.3	79%	0.785	80%	0.803	S	S	*	*			trans	-107.7	167.8	169.3	0	0	0	0	0	108.7
276	D	46.3	Very low	46.9	Very low	167 Å²	167	134 Å²	134	89%	0.893	80%	0.8	S	S	*	*			cis	-159.1	172.9	13.3	-134.9	-26	0	0	0	109.2
277	G	41	Very low	47.3	Very low	63 Å²	63	134.3 Å²	134.3	65%	0.649	80%	0.802	S	S	*	*			trans	176.9	121	170.7	0	0	0	0	0	116.6
278	P	53.5	Low	48.5	Very low	133 Å²	133	130.1 Å²	130.1	86%	0.864	80%	0.802	S	S	*	*			trans	-94.4	141.8	-169.5	34.8	-35.1	0	0	0	117.1
279	R	52.4	Low	49	Very low	201 Å²	201	129.5 Å²	129.5	76%	0.758	80%	0.796	S	S	*	*			trans	17.9	130	149.7	-171.7	174.1	176.2	168.7	-2.5	120.8	E281	R279-E281 HydrophobicContact CG-CG 4.48Å; R279-E281 IonicContact CZ-OE1 2.83Å; R279-E281 IonicContact NE-OE1 2.66Å; R279-E281 PolarHBondContact NE-OE1 3.35Å; R279-E281 IonicContact NH2-OE1 3.31Å; R279-E281 PolarHBondContact NH2-OE1 2.84Å
280	G	44.5	Very low	49.8	Very low	76 Å²	76	130 Å²	130	78%	0.784	80%	0.802	S	S	*	*			trans	-116.2	148.9	149.3	0	0	0	0	0	111.1
281	E	49.3	Very low	50.3	Low	157 Å²	157	130.2 Å²	130.2	73%	0.734	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-92.8	165.3	-171.5	-61.9	-157.9	116.4	0	0	115.3	R279	R279-E281 HydrophobicContact CG-CG 4.48Å; R279-E281 IonicContact CZ-OE1 2.83Å; R279-E281 IonicContact NE-OE1 2.66Å; R279-E281 PolarHBondContact NE-OE1 3.35Å; R279-E281 IonicContact NH2-OE1 3.31Å; R279-E281 PolarHBondContact NH2-OE1 2.84Å
282	K	46.8	Very low	50.8	Low	203 Å²	203	130.4 Å²	130.4	88%	0.883	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-87.4	116.7	-171.9	-175.2	-176.3	-175.9	-176.3	0	110.9
283	G	49.7	Very low	50.5	Low	75 Å²	75	132 Å²	132	77%	0.773	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-75.3	138.8	172.9	0	0	0	0	0	113
284	E	48.6	Very low	50.2	Low	198 Å²	198	135.5 Å²	135.5	93%	0.925	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-80.3	160.2	177.6	-63.1	-168.8	140.9	0	0	112.9
285	R	55.6	Low	50.2	Low	243 Å²	243	135.4 Å²	135.4	92%	0.917	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-97.4	122.3	-175	-168.4	-173.4	-50.4	-102.2	-4.4	110
286	G	54.8	Low	50.7	Low	60 Å²	60	136.1 Å²	136.1	62%	0.619	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-63.6	151.6	177.8	0	0	0	0	0	113.6
287	P	60.3	Low	50.5	Low	132 Å²	132	140.4 Å²	140.4	86%	0.857	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-73.4	149.6	-177.6	30	-35.2	0	0	0	113.1
288	V	65.8	Low	50.2	Low	146 Å²	146	140.7 Å²	140.7	89%	0.885	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-81.3	135	174.7	176.6	0	0	0	0	109.9
289	G	53.3	Low	50	Low	61 Å²	61	144.1 Å²	144.1	63%	0.629	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-73	156.9	-179.9	0	0	0	0	0	114.2
290	P	58.1	Low	49.3	Very low	136 Å²	136	145.9 Å²	145.9	88%	0.883	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-71.3	146.1	-176.7	29	-34.9	0	0	0	113.3
291	K	50.5	Low	48.9	Very low	192 Å²	192	145 Å²	145	84%	0.835	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-75.3	134	175.8	-175.6	-177.7	179.1	-173.7	0	110.3
292	G	47.9	Very low	48.7	Very low	70 Å²	70	145.2 Å²	145.2	72%	0.722	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-88.7	145	175.8	0	0	0	0	0	113.1
293	D	44.5	Very low	48.3	Very low	153 Å²	153	145.1 Å²	145.1	82%	0.818	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-101	135	-178.2	-79	-39.7	0	0	0	113.9
294	R	50.2	Low	47.6	Very low	205 Å²	205	144.6 Å²	144.6	77%	0.774	80%	0.796	S	S	*	*			trans	48.8	138.3	141.7	-156.2	170.3	-169.8	175.2	-3.3	121.9	D296	R294-D296 IonicContact CZ-OD1 3.55Å; R294-D296 VanDerWaalsContact CZ-OD1 3.25Å; R294-D296 IonicContact CZ-OD2 3.16Å; R294-D296 IonicContact NE-OD1 3.9Å; R294-D296 PolarHBondContact NE-OD1 3.07Å; R294-D296 IonicContact NE-OD2 2.71Å; R294-D296 PolarHBondContact NE-OD2 3.1Å; R294-D296 IonicContact NH1-OD2 2.77Å; R294-D296 VanDerWaalsContact NH2-CG 3.31Å; R294-D296 IonicContact NH2-OD1 2.86Å; R294-D296 PolarHBondContact NH2-OD1 3.28Å; R294-D296 IonicContact NH2-OD2 3.06Å; R294-D296 PolarHBondContact NH2-OD2 3.19Å
295	G	38.4	Very low	47.4	Very low	77 Å²	77	142.5 Å²	142.5	79%	0.794	79%	0.791	S	S	*	*			trans	-140.9	121.5	152.5	0	0	0	0	0	111.4
296	D	52.8	Low	46.7	Very low	110 Å²	110	142.1 Å²	142.1	59%	0.588	79%	0.789	S	S	*	*			trans	-99	135.9	174.8	-62.8	-48	0	0	0	111.7	R294	R294-D296 IonicContact CZ-OD1 3.55Å; R294-D296 VanDerWaalsContact CZ-OD1 3.25Å; R294-D296 IonicContact CZ-OD2 3.16Å; R294-D296 IonicContact NE-OD1 3.9Å; R294-D296 PolarHBondContact NE-OD1 3.07Å; R294-D296 IonicContact NE-OD2 2.71Å; R294-D296 PolarHBondContact NE-OD2 3.1Å; R294-D296 IonicContact NH1-OD2 2.77Å; R294-D296 VanDerWaalsContact NH2-CG 3.31Å; R294-D296 IonicContact NH2-OD1 2.86Å; R294-D296 PolarHBondContact NH2-OD1 3.28Å; R294-D296 IonicContact NH2-OD2 3.06Å; R294-D296 PolarHBondContact NH2-OD2 3.19Å
297	R	41.7	Very low	45.7	Very low	258 Å²	258	142.4 Å²	142.4	97%	0.974	79%	0.792	S	S	*	*			trans	-172	141	158.3	-138.5	172.2	-73.4	-152.6	-0.4	109.4
298	G	34.6	Very low	45	Very low	68 Å²	68	144.4 Å²	144.4	70%	0.701	80%	0.796	S	S	*	*			cis	-174	170.8	-5.3	0	0	0	0	0	110.9
299	F	49.3	Very low	43.8	Very low	205 Å²	205	148 Å²	148	90%	0.899	79%	0.793	S	S	*	*			trans	-100.7	140.9	-166.4	-67.7	-93.4	0	0	0	117
300	R	37.8	Very low	42.8	Very low	239 Å²	239	148 Å²	148	90%	0.902	79%	0.794	S	S	*	*			trans	179.1	142.2	140.9	-129.4	166.2	-75.1	-103.8	-0.1	107.8
301	G	36.5	Very low	41.9	Very low	58 Å²	58	150.8 Å²	150.8	60%	0.598	80%	0.795	S	S	*	*			cis	108.8	127.8	21.7	0	0	0	0	0	108.9
302	D	46.1	Very low	41.2	Very low	160 Å²	160	152.2 Å²	152.2	86%	0.856	80%	0.795	S	S	*	*			cis	-157.4	179.8	10	-71.5	-46.6	0	0	0	111.9
303	K	37.4	Very low	40.7	Very low	201 Å²	201	155.6 Å²	155.6	87%	0.874	80%	0.802	S	S	*	*			trans	71.2	134.8	171.1	-103.2	175.4	175.6	179.5	0	116.5
304	G	35.9	Very low	40.6	Very low	64 Å²	64	154.1 Å²	154.1	66%	0.66	80%	0.798	S	S	*	*			cis	172.9	159.8	-2.4	0	0	0	0	0	109.7
305	D	44.2	Very low	40	Very low	154 Å²	154	151.3 Å²	151.3	82%	0.824	80%	0.798	S	S	*	*			cis	-138.5	-93	-3.1	-79.2	-63.3	0	0	0	114
306	R	40.8	Very low	40.2	Very low	235 Å²	235	158.1 Å²	158.1	89%	0.887	80%	0.8	S	S	*	*			trans	-161.5	136.3	-158.8	-162.4	179.8	-168	173.1	2.6	118.3
307	G	34.6	Very low	39.9	Very low	66 Å²	66	161 Å²	161	68%	0.68	81%	0.807	S	S	*	*			trans	128.5	123.5	167.9	0	0	0	0	0	111.9
308	D	45	Very low	40.7	Very low	175 Å²	175	154.2 Å²	154.2	94%	0.936	79%	0.787	S	S	*	*			cis	-132.5	168.9	5.8	-99.3	-43	0	0	0	114.9
309	R	39.1	Very low	42.4	Very low	220 Å²	220	154.3 Å²	154.3	83%	0.83	78%	0.781	S	S	*	*			trans	-109.3	116.7	-159.4	177.6	-171.4	-73.3	-164	-8.1	112.8
310	G	33.1	Very low	44.5	Very low	62 Å²	62	147.4 Å²	147.4	64%	0.639	75%	0.753	S	S	*	*			trans	75.9	85.3	143.7	0	0	0	0	0	115.8	R312	G310-R312 VanDerWaalsContact C-N 3.28Å; G310-R312 PolarHBondContact O-N 3.03Å
311	E	38.6	Very low	47.3	Very low	194 Å²	194	136.2 Å²	136.2	91%	0.907	71%	0.712	S	S	*	*			trans	-58.7	96.4	150.6	-170.6	164.9	-154.3	0	0	108	T313	E311-T313 PolarHBondContact O-N 3.44Å
312	R	36.2	Very low	50.1	Low	223 Å²	223	138.2 Å²	138.2	84%	0.842	70%	0.701	S	S	*	*			trans	-66	123.8	169.6	-78.8	-179.9	173.5	166.2	-2.1	106.7	G310 V314	G310-R312 VanDerWaalsContact C-N 3.28Å; G310-R312 PolarHBondContact O-N 3.03Å; R312-V314 PolarHBondContact O-N 3.33Å
313	T	38.8	Very low	52.5	Low	140 Å²	140	132.1 Å²	132.1	86%	0.859	67%	0.669	S	S	*	*			trans	-62.6	84.1	165.6	51.5	0	0	0	0	109.1	E311	E311-T313 PolarHBondContact O-N 3.44Å
314	V	41.5	Very low	55.4	Low	122 Å²	122	124.1 Å²	124.1	74%	0.739	64%	0.636	S	S	*	*			trans	-76.1	127.9	158.1	-174.7	0	0	0	0	105.4	R312 R316	R312-V314 PolarHBondContact O-N 3.33Å; V314-R316 PolarHBondContact O-N 3.05Å
315	D	37.6	Very low	58.2	Low	146 Å²	146	126 Å²	126	78%	0.781	63%	0.631	S	S	*	*			trans	-49.6	135.5	172.3	-67.8	-68.8	0	0	0	109.7	K317	D315-K317 PolarHBondContact O-N 2.92Å
316	R	43.2	Very low	60.5	Low	220 Å²	220	119.9 Å²	119.9	83%	0.83	61%	0.605	S	S	*	*			trans	-71.6	63.8	-173.3	-170.6	-177.4	164.9	179.6	-3.4	112	V314 E318	V314-R316 PolarHBondContact O-N 3.05Å; R316-E318 PolarHBondContact O-N 3.38Å
317	K	45.5	Very low	63	Low	170 Å²	170	114.4 Å²	114.4	74%	0.739	60%	0.602	S	S	*	*			trans	-64.7	113.1	149.7	-148.1	178.9	-172.6	-175.1	0	104.2	D315 A319	D315-K317 PolarHBondContact O-N 2.92Å; K317-A319 PolarHBondContact O-N 3.24Å
318	E	58.5	Low	65.7	Low	116 Å²	116	112.4 Å²	112.4	54%	0.542	58%	0.582	S	S	.	*			trans	-54.7	126.3	-176.9	-60.2	-173.5	139.7	0	0	108.9	R316 L320	R316-E318 PolarHBondContact O-N 3.38Å; E318-L320 WeakPolarHBondContact O-CG 3.32Å; E318-L320 PolarHBondContact O-N 3.48Å
319	A	71.6	Confident	67.9	Low	71 Å²	71	109 Å²	109	59%	0.587	57%	0.569	S	S	*	*			trans	-65.3	104	-176.2	0	0	0	0	0	108.9	K317 V321 W342	K317-A319 PolarHBondContact O-N 3.24Å; A319-V321 VanDerWaalsContact C-N 3.27Å; A319-V321 PolarHBondContact O-N 2.99Å; A319-W342 VanDerWaalsContact O-CH2 3.23Å; A319-W342 WeakPolarHBondContact O-CH2 3.44Å
320	L	92.6	Very high	70.6	Confident	59 Å²	59	100.8 Å²	100.8	31%	0.309	54%	0.54	S	S	.	.			trans	-78.2	-9.9	-171.9	-67.8	-175.9	0	0	0	113.9	E318 L337 M361	E318-L320 WeakPolarHBondContact O-CG 3.32Å; E318-L320 PolarHBondContact O-N 3.48Å; L320-L337 PolarHBondContact O-N 3Å; L320-M361 HydrophobicContact CB-CE 3.91Å
321	V	96.3	Very high	73.7	Confident	5 Å²	5	99.4 Å²	99.4	3%	0.03	52%	0.517	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	149	179	74.7	0	0	0	0	109.7	A319 V334 E335 V336 V358 M361 L362	A319-V321 VanDerWaalsContact C-N 3.27Å; A319-V321 PolarHBondContact O-N 2.99Å; V321-V334 HydrophobicContact CG2-CG1 3.77Å; V321-E335 CarbonylContact C-O 3.59Å; V321-E335 VanDerWaalsContact CA-O 3.31Å; V321-E335 WeakPolarHBondContact CA-O 3.24Å; V321-E335 WeakPolarHBondContact CG2-O 3.41Å; V321-V336 HydrophobicContact CG2-CG2 4.24Å; V321-V358 HydrophobicContact CG1-CG1 4.5Å; V321-V358 HydrophobicContact CG2-CG1 3.99Å; V321-V358 HydrophobicContact CG2-CG2 4.49Å; V321-M361 HydrophobicContact CB-CE 3.98Å; V321-M361 HydrophobicContact CB-SD 4.42Å; V321-M361 HydrophobicContact CG1-CB 3.85Å; V321-M361 HydrophobicContact CG1-CE 3.77Å; V321-M361 HydrophobicContact CG1-SD 3.99Å; V321-L362 HydrophobicContact CG1-CD1 4.38Å; V321-L362 HydrophobicContact CG1-CD2 3.91Å; V321-L362 HydrophobicContact CG1-CG 3.87Å
322	R	96.1	Very high	76.5	Confident	99 Å²	99	90.1 Å²	90.1	37%	0.374	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	159.2	172.8	71.5	-177.1	-176.4	-179.4	1.6	110.8	V324 E335 W342	R322-V324 HydrophobicContact CG-CG2 3.89Å; R322-E335 HydrophobicContact CG-CB 3.86Å; R322-E335 IonicContact CZ-OE2 3.43Å; R322-E335 PolarHBondContact N-O 3.38Å; R322-E335 IonicContact NE-OE2 3.62Å; R322-E335 PolarHBondContact NE-OE2 3.47Å; R322-E335 IonicContact NH2-OE2 2.89Å; R322-E335 PolarHBondContact NH2-OE2 3.06Å; R322-E335 PolarHBondContact O-N 3.09Å; R322-W342 HydrophobicContact CB-CH2 3.9Å; R322-W342 HydrophobicContact CB-CZ3 3.92Å; R322-W342 HydrophobicContact CG-CD2 4.31Å; R322-W342 HydrophobicContact CG-CE3 3.76Å; R322-W342 HydrophobicContact CG-CH2 3.85Å; R322-W342 HydrophobicContact CG-CZ2 4.4Å; R322-W342 HydrophobicContact CG-CZ3 3.51Å; R322-W342 VanDerWaalsContact CZ-CG 3.49Å
323	L	97.1	Very high	79.5	Confident	33 Å²	33	80.1 Å²	80.1	17%	0.173	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	135.3	170.4	-55.4	-178.5	0	0	0	109.4	E331 R333 V334 V358 L362 V418	L323-E331 WeakPolarHBondContact CB-O 3.42Å; L323-R333 WeakPolarHBondContact CA-O 3.4Å; L323-V334 HydrophobicContact CD2-CG2 4.09Å; L323-V358 HydrophobicContact CD2-CG1 4.21Å; L323-L362 HydrophobicContact CD1-CD1 3.77Å; L323-L362 HydrophobicContact CD2-CD1 4.01Å; L323-L362 HydrophobicContact CG-CD1 3.59Å; L323-V418 HydrophobicContact CD1-CG2 3.98Å; L323-V418 HydrophobicContact CD2-CG2 3.49Å; L323-V418 VanDerWaalsContact CD2-CG2 3.49Å; L323-V418 HydrophobicContact CG-CG2 4.41Å
324	V	97.4	Very high	82.3	Confident	32 Å²	32	73.5 Å²	73.5	19%	0.194	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	146.1	-176	-172.7	0	0	0	0	110.3	R322 G326 G332 R333 E335	R322-V324 HydrophobicContact CG-CG2 3.89Å; V324-G326 PolarHBondContact O-N 3.49Å; V324-G326 VanDerWaalsContact O-N 3.16Å; V324-G332 CarbonylContact O-C 3.42Å; V324-G332 VanDerWaalsContact O-CA 3.25Å; V324-G332 WeakPolarHBondContact O-CA 3.23Å; V324-R333 PolarHBondContact N-O 2.92Å; V324-R333 PolarHBondContact O-N 3.34Å; V324-E335 HydrophobicContact CG2-CB 4.48Å; V324-E335 HydrophobicContact CG2-CG 4.24Å
325	N	94.6	Very high	85	Confident	104 Å²	104	68.3 Å²	68.3	56%	0.556	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	59.6	17.8	177.5	-63.5	-7.8	0	0	0	116.7	R333 F376	N325-R333 PolarHBondContact ND2-NH1 3.49Å; N325-F376 HydrophobicContact CB-CB 4.19Å; N325-F376 WeakPolarHBondContact CB-O 3.49Å; N325-F376 PolarHBondContact ND2-O 2.87Å
326	G	93	Very high	87.8	Confident	26 Å²	26	61.3 Å²	61.3	27%	0.268	33%	0.326	S	S	.	.			trans	-77.6	165.1	166.2	0	0	0	0	0	112.9	V324 G328 E331	V324-G326 PolarHBondContact O-N 3.49Å; V324-G326 VanDerWaalsContact O-N 3.16Å; G326-G328 PolarHBondContact O-N 2.89Å; G326-E331 WeakPolarHBondContact CA-O 3.47Å
327	S	92.6	Very high	90.3	Very high	119 Å²	119	52.4 Å²	52.4	83%	0.832	29%	0.294	S	S	*	.	S	Bend	trans	-72.2	-12	176.3	-34.7	0	0	0	0	112.9	E331	S327-E331 WeakPolarHBondContact CA-OE1 3.35Å; S327-E331 WeakPolarHBondContact CB-OE1 3.42Å; S327-E331 PolarHBondContact N-OE1 3.01Å; S327-E331 PolarHBondContact OG-OE1 3.49Å
328	G	90.9	Very high	92.6	Very high	24 Å²	24	46.1 Å²	46.1	25%	0.247	27%	0.267	C	S	.	.	S	Bend	trans	-165.1	176.6	179	0	0	0	0	0	111.7	G326 H330 E331	G326-G328 PolarHBondContact O-N 2.89Å; G328-H330 PolarHBondContact O-N 2.67Å; G328-E331 PolarHBondContact O-N 3.12Å
329	P	92.2	Very high	94.1	Very high	104 Å²	104	47.4 Å²	47.4	68%	0.675	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-3	-169.5	30.5	-38	0	0	0	114.9	Y364	P329-Y364 PolarHBondContact O-OH 3.45Å
330	H	95.9	Very high	94.9	Very high	47 Å²	47	55.4 Å²	55.4	22%	0.218	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	4.4	-178.4	64.5	-84.4	0	0	0	112.6	G328 Y364 C420 M422	G328-H330 PolarHBondContact O-N 2.67Å; H330-Y364 HydrophobicContact CB-CD1 4.42Å; H330-Y364 HydrophobicContact CB-CE1 3.78Å; H330-Y364 HydrophobicContact CB-CE2 4.17Å; H330-Y364 PolarHBondContact N-OH 2.97Å; H330-C420 HydrophobicContact CB-CB 4.38Å; H330-C420 WeakPolarHBondContact O-CB 3.36Å; H330-C420 PolarHBondContact O-N 3.24Å; H330-M422 HydrophobicContact CB-CG 4.43Å
331	E	97.3	Very high	94.8	Very high	33 Å²	33	56.2 Å²	56.2	15%	0.154	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	161.2	174.2	56.6	166	-154.9	0	0	112	L323 G326 S327 G328 F376 V418 T419	L323-E331 WeakPolarHBondContact CB-O 3.42Å; G326-E331 WeakPolarHBondContact CA-O 3.47Å; S327-E331 WeakPolarHBondContact CA-OE1 3.35Å; S327-E331 WeakPolarHBondContact CB-OE1 3.42Å; S327-E331 PolarHBondContact N-OE1 3.01Å; S327-E331 PolarHBondContact OG-OE1 3.49Å; G328-E331 PolarHBondContact O-N 3.12Å; E331-F376 HydrophobicContact CB-CE1 4.23Å; E331-F376 HydrophobicContact CB-CZ 4.05Å; E331-F376 HydrophobicContact CG-CE1 4.32Å; E331-V418 CarbonylContact C-O 3.54Å; E331-V418 VanDerWaalsContact CA-O 3.22Å; E331-V418 WeakPolarHBondContact CA-O 3.37Å; E331-V418 WeakPolarHBondContact CB-O 3.45Å; E331-T419 HydrophobicContact CB-CG2 4.17Å; E331-T419 PolarHBondContact OE2-OG1 3.27Å
332	G	97.9	Very high	94.8	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	149.9	178.4	175.6	0	0	0	0	0	113.8	V324 F376 G417 V418	V324-G332 CarbonylContact O-C 3.42Å; V324-G332 VanDerWaalsContact O-CA 3.25Å; V324-G332 WeakPolarHBondContact O-CA 3.23Å; G332-F376 WeakPolarHBondContact O-CD2 3.5Å; G332-G417 CarbonylContact O-C 3.51Å; G332-G417 WeakPolarHBondContact O-CA 3.19Å; G332-V418 PolarHBondContact N-O 3.2Å; G332-V418 PolarHBondContact O-N 3.4Å
333	R	98.4	Very high	94.9	Very high	13 Å²	13	55.2 Å²	55.2	5%	0.049	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	135.8	166.1	-179.4	177.9	62.1	-103	-2.8	108.8	L323 V324 N325 E335 T344 F376 G377 Q378 D415 A416	L323-R333 WeakPolarHBondContact CA-O 3.4Å; V324-R333 PolarHBondContact N-O 2.92Å; V324-R333 PolarHBondContact O-N 3.34Å; N325-R333 PolarHBondContact ND2-NH1 3.49Å; R333-E335 IonicContact CZ-OE1 3.24Å; R333-E335 IonicContact NE-OE1 3.09Å; R333-E335 PolarHBondContact NE-OE1 2.89Å; R333-E335 VanDerWaalsContact NE-OE1 3.16Å; R333-E335 IonicContact NH2-OE1 2.89Å; R333-E335 PolarHBondContact NH2-OE1 3.35Å; R333-T344 HydrophobicContact CG-CG2 4.33Å; R333-F376 HydrophobicContact CB-CB 4.13Å; R333-F376 PolarHBondContact NH1-O 3.34Å; R333-G377 PolarHBondContact NH1-O 3.03Å; R333-Q378 PolarHBondContact NH1-O 3.36Å; R333-D415 HydrophobicContact CG-CB 4.11Å; R333-A416 WeakPolarHBondContact CA-O 3.35Å
334	V	98.3	Very high	94.9	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	123.4	177.3	-177.9	0	0	0	0	109.1	V321 L323 V336 V345 W350 V358 A416 V418	V321-V334 HydrophobicContact CG2-CG1 3.77Å; L323-V334 HydrophobicContact CD2-CG2 4.09Å; V334-V336 HydrophobicContact CG1-CG2 4.35Å; V334-V345 HydrophobicContact CG1-CG2 4.03Å; V334-W350 HydrophobicContact CG2-CH2 4.42Å; V334-W350 HydrophobicContact CG2-CZ2 3.96Å; V334-V358 HydrophobicContact CG1-CG1 4.23Å; V334-V358 HydrophobicContact CG1-CG2 4.1Å; V334-V358 HydrophobicContact CG2-CG1 4.22Å; V334-A416 PolarHBondContact N-O 3.08Å; V334-V418 HydrophobicContact CG2-CB 4.48Å; V334-V418 HydrophobicContact CG2-CG1 3.83Å; V334-V418 HydrophobicContact CG2-CG2 4.01Å
335	E	98.1	Very high	95	Very high	13 Å²	13	52.2 Å²	52.2	6%	0.061	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	133.7	169.7	-74	177.6	-162.7	0	0	110.3	V321 R322 V324 R333 W342 G343 T344	V321-E335 CarbonylContact C-O 3.59Å; V321-E335 VanDerWaalsContact CA-O 3.31Å; V321-E335 WeakPolarHBondContact CA-O 3.24Å; V321-E335 WeakPolarHBondContact CG2-O 3.41Å; R322-E335 HydrophobicContact CG-CB 3.86Å; R322-E335 IonicContact CZ-OE2 3.43Å; R322-E335 PolarHBondContact N-O 3.38Å; R322-E335 IonicContact NE-OE2 3.62Å; R322-E335 PolarHBondContact NE-OE2 3.47Å; R322-E335 IonicContact NH2-OE2 2.89Å; R322-E335 PolarHBondContact NH2-OE2 3.06Å; R322-E335 PolarHBondContact O-N 3.09Å; V324-E335 HydrophobicContact CG2-CB 4.48Å; V324-E335 HydrophobicContact CG2-CG 4.24Å; R333-E335 IonicContact CZ-OE1 3.24Å; R333-E335 IonicContact NE-OE1 3.09Å; R333-E335 PolarHBondContact NE-OE1 2.89Å; R333-E335 VanDerWaalsContact NE-OE1 3.16Å; R333-E335 IonicContact NH2-OE1 2.89Å; R333-E335 PolarHBondContact NH2-OE1 3.35Å; E335-W342 HydrophobicContact CB-CE3 4.06Å; E335-W342 WeakPolarHBondContact O-CZ3 3.41Å; E335-G343 CarbonylContact C-O 3.52Å; E335-G343 VanDerWaalsContact CA-O 3.27Å; E335-G343 WeakPolarHBondContact CA-O 3.44Å; E335-T344 HydrophobicContact CG-CG2 3.96Å
336	V	97.3	Very high	95.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	140.9	-176.1	176.9	0	0	0	0	109.4	V321 V334 G343 V345 W384 M385 I397 H398 W405	V321-V336 HydrophobicContact CG2-CG2 4.24Å; V334-V336 HydrophobicContact CG1-CG2 4.35Å; V336-G343 PolarHBondContact N-O 2.99Å; V336-G343 PolarHBondContact O-N 3.04Å; V336-G343 VanDerWaalsContact O-N 3.12Å; V336-V345 HydrophobicContact CG2-CG2 3.63Å; V336-W384 VanDerWaalsContact O-CD1 3.32Å; V336-M385 HydrophobicContact CG1-SD 4.19Å; V336-M385 HydrophobicContact CG2-SD 4.11Å; V336-I397 HydrophobicContact CG1-CG2 4.44Å; V336-I397 HydrophobicContact CG2-CD1 4.39Å; V336-I397 HydrophobicContact CG2-CG2 4.04Å; V336-H398 VanDerWaalsContact CG1-CE1 3.41Å; V336-H398 WeakPolarHBondContact CG1-CE1 3.23Å; V336-W405 HydrophobicContact CG1-CZ3 4.41Å
337	L	94.9	Very high	95.3	Very high	32 Å²	32	46.7 Å²	46.7	17%	0.168	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	116.1	172.8	-172.7	64.1	0	0	0	109.5	L320 W342 H398	L320-L337 PolarHBondContact O-N 3Å; L337-W342 HydrophobicContact CB-CD2 4.4Å; L337-W342 HydrophobicContact CB-CE3 4.07Å; L337-W342 HydrophobicContact CB-CH2 3.96Å; L337-W342 HydrophobicContact CB-CZ2 4.26Å; L337-W342 HydrophobicContact CB-CZ3 3.83Å; L337-W342 HydrophobicContact CD1-CD2 4.17Å; L337-W342 HydrophobicContact CD1-CG 4.45Å; L337-W342 HydrophobicContact CD1-CZ2 4.38Å; L337-W342 HydrophobicContact CD2-CZ2 4.46Å; L337-H398 PolarHBondContact O-NE2 3.42Å; L337-H398 VanDerWaalsContact O-NE2 3.13Å
338	H	93.3	Very high	95.4	Very high	38 Å²	38	43.8 Å²	43.8	18%	0.176	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	143.1	172.3	-170.5	75.8	0	0	0	109.1	R340 R341 W384 W405	H338-R340 PolarHBondContact O-N 3.11Å; H338-R341 PolarHBondContact N-O 2.89Å; H338-R341 VanDerWaalsContact N-O 3.12Å; H338-R341 PolarHBondContact O-N 3.34Å; H338-W384 HydrophobicContact CB-CD2 3.9Å; H338-W384 HydrophobicContact CB-CE3 4.44Å; H338-W384 HydrophobicContact CB-CG 4.1Å; H338-W384 HydrophobicContact CB-CZ2 4.1Å; H338-W384 AromaticContact CD2-CE3 3.95Å; H338-W384 AromaticContact CD2-CH2 3.86Å; H338-W384 AromaticContact CD2-CZ3 3.77Å; H338-W384 WeakPolarHBondContact O-CZ2 3.48Å; H338-W405 HydrophobicContact CB-CE3 4.06Å; H338-W405 HydrophobicContact CB-CH2 4.49Å; H338-W405 HydrophobicContact CB-CZ3 3.93Å; H338-W405 AromaticContact CD2-CD2 3.76Å; H338-W405 AromaticContact CD2-CE3 3.8Å; H338-W405 AromaticContact CD2-CG 3.99Å; H338-W405 AromaticContact CE1-CD1 3.68Å; H338-W405 AromaticContact CE1-CD2 3.39Å; H338-W405 AromaticContact CE1-CE2 3.24Å; H338-W405 AromaticContact CE1-CE3 3.98Å; H338-W405 AromaticContact CE1-CG 3.69Å; H338-W405 AromaticContact CE1-CZ2 3.77Å; H338-W405 AromaticContact CE1-NE1 3.41Å; H338-W405 PolarHBondContact CE1-NE1 2.98Å; H338-W405 AromaticContact CG-CD2 3.81Å; H338-W405 AromaticContact CG-CE3 3.59Å; H338-W405 AromaticContact CG-CZ3 3.8Å; H338-W405 AromaticContact ND1-CD2 3.57Å; H338-W405 AromaticContact ND1-CE2 3.45Å; H338-W405 AromaticContact ND1-CE3 3.7Å; H338-W405 AromaticContact ND1-CH2 3.72Å; H338-W405 AromaticContact ND1-CZ2 3.54Å; H338-W405 AromaticContact ND1-CZ3 3.77Å; H338-W405 AromaticContact NE2-CD1 3.71Å; H338-W405 AromaticContact NE2-CD2 3.52Å; H338-W405 AromaticContact NE2-CE2 3.85Å; H338-W405 AromaticContact NE2-CG 3.47Å; H338-W405 AromaticContact NE2-NE1 3.93Å
339	E	90.7	Very high	95.6	Very high	144 Å²	144	46.5 Å²	46.5	67%	0.673	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.2	35.9	-175.9	-67	-173.2	155.9	0	0	115.5	R341 W384	E339-R341 PolarHBondContact O-N 3Å; E339-W384 HydrophobicContact CB-CH2 4.35Å; E339-W384 HydrophobicContact CB-CZ2 4.4Å
340	R	88.6	Confident	95.9	Very high	238 Å²	238	41.7 Å²	41.7	90%	0.898	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.8	19.4	-175.4	-53.8	179.4	170.6	-174.1	-2.7	114.9	H338	H338-R340 PolarHBondContact O-N 3.11Å
341	R	90.8	Very high	95.9	Very high	76 Å²	76	42.1 Å²	42.1	29%	0.287	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	141.5	171.6	-56.8	173	68.6	172	7.5	110.1	Q65 H338 E339 W384	Q65-R341 VanDerWaalsContact OE1-NH2 3.1Å; H338-R341 PolarHBondContact N-O 2.89Å; H338-R341 VanDerWaalsContact N-O 3.12Å; H338-R341 PolarHBondContact O-N 3.34Å; E339-R341 PolarHBondContact O-N 3Å; R341-W384 HydrophobicContact CB-CZ2 4.09Å; R341-W384 PolarHBondContact O-NE1 3.19Å
342	W	96.3	Very high	95.9	Very high	82 Å²	82	45.2 Å²	45.2	31%	0.311	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	142.3	165.4	-66.1	99.9	0	0	0	109.6	A319 R322 E335 L337	A319-W342 VanDerWaalsContact O-CH2 3.23Å; A319-W342 WeakPolarHBondContact O-CH2 3.44Å; R322-W342 HydrophobicContact CB-CH2 3.9Å; R322-W342 HydrophobicContact CB-CZ3 3.92Å; R322-W342 HydrophobicContact CG-CD2 4.31Å; R322-W342 HydrophobicContact CG-CE3 3.76Å; R322-W342 HydrophobicContact CG-CH2 3.85Å; R322-W342 HydrophobicContact CG-CZ2 4.4Å; R322-W342 HydrophobicContact CG-CZ3 3.51Å; R322-W342 VanDerWaalsContact CZ-CG 3.49Å; E335-W342 HydrophobicContact CB-CE3 4.06Å; E335-W342 WeakPolarHBondContact O-CZ3 3.41Å; L337-W342 HydrophobicContact CB-CD2 4.4Å; L337-W342 HydrophobicContact CB-CE3 4.07Å; L337-W342 HydrophobicContact CB-CH2 3.96Å; L337-W342 HydrophobicContact CB-CZ2 4.26Å; L337-W342 HydrophobicContact CB-CZ3 3.83Å; L337-W342 HydrophobicContact CD1-CD2 4.17Å; L337-W342 HydrophobicContact CD1-CG 4.45Å; L337-W342 HydrophobicContact CD1-CZ2 4.38Å; L337-W342 HydrophobicContact CD2-CZ2 4.46Å
343	G	96.9	Very high	95.9	Very high	2 Å²	2	49.6 Å²	49.6	2%	0.021	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	161.3	173.5	0	0	0	0	0	109.9	E335 V336 V382 W384	E335-G343 CarbonylContact C-O 3.52Å; E335-G343 VanDerWaalsContact CA-O 3.27Å; E335-G343 WeakPolarHBondContact CA-O 3.44Å; V336-G343 PolarHBondContact N-O 2.99Å; V336-G343 PolarHBondContact O-N 3.04Å; V336-G343 VanDerWaalsContact O-N 3.12Å; G343-V382 CarbonylContact C-O 3.44Å; G343-V382 WeakPolarHBondContact CA-O 3.41Å; G343-W384 VanDerWaalsContact N-CD1 3.34Å
344	T	98.1	Very high	95.9	Very high	2 Å²	2	49 Å²	49	1%	0.012	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-179.1	-174.2	57	0	0	0	0	111.9	R333 E335 V382 I383 W384 H412 D415	R333-T344 HydrophobicContact CG-CG2 4.33Å; E335-T344 HydrophobicContact CG-CG2 3.96Å; T344-V382 PolarHBondContact N-O 3.24Å; T344-I383 CarbonylContact O-C 2.98Å; T344-W384 PolarHBondContact O-N 3.21Å; T344-H412 PolarHBondContact OG1-CE1 3.47Å; T344-H412 PolarHBondContact OG1-ND1 3.42Å; T344-D415 WeakPolarHBondContact CB-OD1 3.18Å; T344-D415 PolarHBondContact OG1-OD1 2.86Å
345	V	98.3	Very high	95.9	Very high	0 Å²	0	49 Å²	49	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	134.1	176.2	179.7	0	0	0	0	107.1	V334 V336 W350 M385 V388 I397 A416	V334-V345 HydrophobicContact CG1-CG2 4.03Å; V336-V345 HydrophobicContact CG2-CG2 3.63Å; V345-W350 HydrophobicContact CG1-CE3 3.91Å; V345-W350 HydrophobicContact CG1-CH2 4.38Å; V345-W350 HydrophobicContact CG1-CZ3 3.64Å; V345-M385 WeakPolarHBondContact CA-O 3.36Å; V345-M385 HydrophobicContact CG1-CB 4.16Å; V345-M385 HydrophobicContact CG2-CB 4.28Å; V345-V388 HydrophobicContact CG1-CG2 3.67Å; V345-I397 HydrophobicContact CG2-CD1 4.47Å; V345-A416 HydrophobicContact CB-CB 4.36Å; V345-A416 HydrophobicContact CG1-CB 4.44Å; V345-A416 WeakPolarHBondContact O-CB 3.37Å; V345-A416 PolarHBondContact O-N 2.99Å
346	C	97.9	Very high	95.8	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-71.9	149.6	174	-174.5	0	0	0	0	111.2	D348 I383 M385 D386 C410 E414	C346-D348 VanDerWaalsContact C-N 3.33Å; C346-D348 PolarHBondContact SG-N 2.92Å; C346-D348 VanDerWaalsContact SG-N 3.39Å; C346-I383 HydrophobicContact CB-CG2 4.2Å; C346-M385 PolarHBondContact N-O 3.46Å; C346-D386 HydrophobicContact CB-CB 4.14Å; C346-D386 WeakPolarHBondContact CB-OD1 3.36Å; C346-C410 HydrophobicContact CB-CB 3.67Å; C346-C410 WeakPolarHBondContact CB-SG 3.25Å; C346-C410 WeakPolarHBondContact SG-CB 3.39Å; C346-C410 CovalentContact SG-SG 2.02Å; C346-C410 PolarHBondContact SG-SG 3.32Å; C346-E414 CarbonylContact C-O 3.6Å; C346-E414 WeakPolarHBondContact CA-O 3.4Å
347	D	97.1	Very high	95.9	Very high	13 Å²	13	50.1 Å²	50.1	7%	0.07	23%	0.226	C	C	.	.			trans	-83	-2.9	176.4	76.1	47.6	0	0	0	114.6	V349 W350 K372 T373 E414 A416	D347-V349 PolarHBondContact O-N 3.29Å; D347-W350 HydrophobicContact CB-CB 4.3Å; D347-W350 WeakPolarHBondContact O-CB 3.35Å; D347-W350 PolarHBondContact O-N 2.99Å; D347-W350 VanDerWaalsContact O-N 3.08Å; D347-K372 HydrophobicContact CB-CB 3.87Å; D347-K372 HydrophobicContact CB-CD 3.93Å; D347-K372 HydrophobicContact CB-CG 3.84Å; D347-K372 PolarHBondContact O-NZ 2.97Å; D347-K372 WeakPolarHBondContact OD2-CA 3.43Å; D347-K372 WeakPolarHBondContact OD2-CB 3.49Å; D347-T373 PolarHBondContact OD2-N 3.33Å; D347-E414 WeakPolarHBondContact CB-O 3.47Å; D347-E414 VanDerWaalsContact CG-O 3.3Å; D347-E414 PolarHBondContact N-O 2.74Å; D347-E414 VanDerWaalsContact OD2-CA 3.31Å; D347-E414 WeakPolarHBondContact OD2-CA 3.34Å; D347-A416 HydrophobicContact CB-CB 4.1Å
348	D	95.1	Very high	96	Very high	59 Å²	59	48.6 Å²	48.6	32%	0.316	22%	0.218	S	C	.	.	S	Bend	trans	-58.1	128.9	171.9	-101.8	-19.2	0	0	0	109.8	C346 W350 D386 N409	C346-D348 VanDerWaalsContact C-N 3.33Å; C346-D348 PolarHBondContact SG-N 2.92Å; C346-D348 VanDerWaalsContact SG-N 3.39Å; D348-W350 PolarHBondContact O-N 2.93Å; D348-D386 WeakPolarHBondContact CB-OD1 3.38Å; D348-N409 PolarHBondContact OD2-ND2 3.01Å
349	V	94.9	Very high	96.2	Very high	80 Å²	80	46.8 Å²	46.8	49%	0.485	21%	0.21	S	C	.	.	S	Bend	trans	61	-18.3	-170.5	-173.5	0	0	0	0	116.1	D347 D351 D387	D347-V349 PolarHBondContact O-N 3.29Å; V349-D351 PolarHBondContact O-N 3.34Å; V349-D387 VanDerWaalsContact CG2-OD1 3.25Å; V349-D387 WeakPolarHBondContact CG2-OD1 3.49Å
350	W	97.9	Very high	96.4	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.015	20%	0.195	C	C	.	.			trans	-42.1	115.1	-176.2	-168.9	-110.5	0	0	0	114	V334 V345 D347 D348 D354 V358 K372 V388 I397 A416 G417 V418	V334-W350 HydrophobicContact CG2-CH2 4.42Å; V334-W350 HydrophobicContact CG2-CZ2 3.96Å; V345-W350 HydrophobicContact CG1-CE3 3.91Å; V345-W350 HydrophobicContact CG1-CH2 4.38Å; V345-W350 HydrophobicContact CG1-CZ3 3.64Å; D347-W350 HydrophobicContact CB-CB 4.3Å; D347-W350 WeakPolarHBondContact O-CB 3.35Å; D347-W350 PolarHBondContact O-N 2.99Å; D347-W350 VanDerWaalsContact O-N 3.08Å; D348-W350 PolarHBondContact O-N 2.93Å; W350-D354 HydrophobicContact CD2-CB 4.01Å; W350-D354 HydrophobicContact CE3-CB 3.59Å; W350-D354 HydrophobicContact CH2-CB 3.7Å; W350-D354 HydrophobicContact CZ2-CB 4.13Å; W350-D354 HydrophobicContact CZ3-CB 3.43Å; W350-D354 VanDerWaalsContact CZ3-CB 3.43Å; W350-V358 HydrophobicContact CH2-CG2 3.93Å; W350-V358 HydrophobicContact CZ2-CG2 4.44Å; W350-K372 WeakPolarHBondContact O-CE 3.45Å; W350-K372 PolarHBondContact O-NZ 3.16Å; W350-V388 HydrophobicContact CE3-CB 4.03Å; W350-V388 HydrophobicContact CE3-CG1 4.44Å; W350-V388 HydrophobicContact CE3-CG2 4.48Å; W350-V388 HydrophobicContact CZ3-CB 4.03Å; W350-V388 HydrophobicContact CZ3-CG1 4.03Å; W350-V388 HydrophobicContact CZ3-CG2 4.32Å; W350-I397 HydrophobicContact CH2-CD1 3.92Å; W350-I397 HydrophobicContact CZ3-CD1 3.96Å; W350-A416 HydrophobicContact CD2-CB 3.81Å; W350-A416 HydrophobicContact CE3-CB 4.36Å; W350-A416 HydrophobicContact CG-CB 3.91Å; W350-A416 HydrophobicContact CZ2-CB 4.43Å; W350-G417 PolarHBondContact NE1-O 3.26Å; W350-V418 HydrophobicContact CZ2-CG1 3.78Å
351	D	96.7	Very high	96.7	Very high	55 Å²	55	35.6 Å²	35.6	29%	0.294	16%	0.164	S	C	.	.			trans	-125	177.5	-176.2	98.1	5.3	0	0	0	112.7	V349 K353 D354 G355	V349-D351 PolarHBondContact O-N 3.34Å; D351-K353 VanDerWaalsContact C-N 3.27Å; D351-K353 PolarHBondContact O-N 3Å; D351-K353 WeakPolarHBondContact OD1-CA 3.42Å; D351-K353 WeakPolarHBondContact OD1-CB 3.27Å; D351-K353 WeakPolarHBondContact OD1-CG 3.42Å; D351-K353 PolarHBondContact OD1-N 3.33Å; D351-K353 IonicContact OD2-NZ 3.33Å; D351-K353 PolarHBondContact OD2-NZ 3.02Å; D351-D354 PolarHBondContact N-OD2 3.02Å; D351-D354 PolarHBondContact O-N 2.93Å; D351-G355 PolarHBondContact O-N 3.42Å
352	K	97.3	Very high	96.9	Very high	99 Å²	99	34.8 Å²	34.8	43%	0.43	17%	0.165	S	C	.	.	H	α-helix	trans	-62.8	-29.5	-176.5	-169.3	-171.6	174.8	-52.8	0	113.3	G355 D356 A367	K352-G355 CarbonylContact O-C 3.55Å; K352-G355 PolarHBondContact O-N 2.98Å; K352-D356 IonicContact NZ-OD1 2.64Å; K352-D356 PolarHBondContact NZ-OD1 3.22Å; K352-D356 IonicContact NZ-OD2 3.45Å; K352-D356 PolarHBondContact NZ-OD2 3.37Å; K352-D356 WeakPolarHBondContact O-CB 3.49Å; K352-D356 VanDerWaalsContact O-CG 3.24Å; K352-D356 PolarHBondContact O-N 3Å; K352-A367 WeakPolarHBondContact CE-O 3.35Å; K352-A367 HydrophobicContact CG-CB 4.38Å; K352-A367 PolarHBondContact NZ-O 3.27Å
353	K	98.1	Very high	96.8	Very high	92 Å²	92	34.1 Å²	34.1	40%	0.4	18%	0.184	S	C	.	.	H	α-helix	trans	-66.8	-39.5	178.6	-56.2	172	-160.8	115.1	0	111.1	D351 G355 D356 V357 C390	D351-K353 VanDerWaalsContact C-N 3.27Å; D351-K353 PolarHBondContact O-N 3Å; D351-K353 WeakPolarHBondContact OD1-CA 3.42Å; D351-K353 WeakPolarHBondContact OD1-CB 3.27Å; D351-K353 WeakPolarHBondContact OD1-CG 3.42Å; D351-K353 PolarHBondContact OD1-N 3.33Å; D351-K353 IonicContact OD2-NZ 3.33Å; D351-K353 PolarHBondContact OD2-NZ 3.02Å; K353-G355 VanDerWaalsContact C-N 3.33Å; K353-D356 PolarHBondContact O-N 3.32Å; K353-V357 WeakPolarHBondContact O-CG2 3.35Å; K353-V357 PolarHBondContact O-N 3.14Å; K353-C390 HydrophobicContact CB-CB 4.47Å; K353-C390 WeakPolarHBondContact CD-O 3.42Å
354	D	98	Very high	96.7	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-63	-46	176.1	-46.4	-52.1	0	0	0	109.8	W350 D351 D356 V357 V358 V388 C390	W350-D354 HydrophobicContact CD2-CB 4.01Å; W350-D354 HydrophobicContact CE3-CB 3.59Å; W350-D354 HydrophobicContact CH2-CB 3.7Å; W350-D354 HydrophobicContact CZ2-CB 4.13Å; W350-D354 HydrophobicContact CZ3-CB 3.43Å; W350-D354 VanDerWaalsContact CZ3-CB 3.43Å; D351-D354 PolarHBondContact N-OD2 3.02Å; D351-D354 PolarHBondContact O-N 2.93Å; D354-D356 PolarHBondContact O-N 3.44Å; D354-V357 PolarHBondContact O-N 3.3Å; D354-V358 PolarHBondContact O-N 3.4Å; D354-V388 HydrophobicContact CB-CG1 4.34Å; D354-C390 WeakPolarHBondContact OD1-CB 3.46Å; D354-C390 PolarHBondContact OD1-N 3.17Å; D354-C390 PolarHBondContact OD1-SG 3.39Å
355	G	97.4	Very high	96.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.3	-40.6	171	0	0	0	0	0	113.7	D351 K352 K353 V357 V358 C359 A367	D351-G355 PolarHBondContact O-N 3.42Å; K352-G355 CarbonylContact O-C 3.55Å; K352-G355 PolarHBondContact O-N 2.98Å; K353-G355 VanDerWaalsContact C-N 3.33Å; G355-V357 VanDerWaalsContact C-N 3.25Å; G355-V357 PolarHBondContact O-N 2.94Å; G355-V358 PolarHBondContact O-N 3.13Å; G355-C359 VanDerWaalsContact O-CB 3.28Å; G355-C359 WeakPolarHBondContact O-CB 3.22Å; G355-C359 PolarHBondContact O-N 3.1Å; G355-C359 PolarHBondContact O-SG 3.35Å; G355-A367 VanDerWaalsContact C-CB 3.48Å
356	D	97.5	Very high	96.3	Very high	36 Å²	36	46.8 Å²	46.8	19%	0.193	23%	0.233	C	C	.	.	H	α-helix	trans	-65.4	-26.5	177	-77.9	-33	0	0	0	112.4	K352 K353 D354 R360 G366 A367	K352-D356 IonicContact NZ-OD1 2.64Å; K352-D356 PolarHBondContact NZ-OD1 3.22Å; K352-D356 IonicContact NZ-OD2 3.45Å; K352-D356 PolarHBondContact NZ-OD2 3.37Å; K352-D356 WeakPolarHBondContact O-CB 3.49Å; K352-D356 VanDerWaalsContact O-CG 3.24Å; K352-D356 PolarHBondContact O-N 3Å; K353-D356 PolarHBondContact O-N 3.32Å; D354-D356 PolarHBondContact O-N 3.44Å; D356-R360 VanDerWaalsContact O-CB 3.29Å; D356-R360 WeakPolarHBondContact O-CB 3.39Å; D356-R360 PolarHBondContact O-NH2 3.15Å; D356-G366 WeakPolarHBondContact OD1-CA 3.38Å; D356-A367 PolarHBondContact OD1-N 2.96Å
357	V	97.8	Very high	96.2	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-76.3	-51.4	170.3	173.2	0	0	0	0	110.3	K353 D354 G355 C359 R360 M361 C390 E394 I397	K353-V357 WeakPolarHBondContact O-CG2 3.35Å; K353-V357 PolarHBondContact O-N 3.14Å; D354-V357 PolarHBondContact O-N 3.3Å; G355-V357 VanDerWaalsContact C-N 3.25Å; G355-V357 PolarHBondContact O-N 2.94Å; V357-C359 PolarHBondContact O-N 3.01Å; V357-R360 PolarHBondContact O-N 3.05Å; V357-R360 VanDerWaalsContact O-N 3.14Å; V357-M361 HydrophobicContact CG1-CG 4.49Å; V357-M361 HydrophobicContact CG1-SD 4.37Å; V357-M361 WeakPolarHBondContact O-CG 3.44Å; V357-M361 PolarHBondContact O-N 3Å; V357-C390 HydrophobicContact CG2-CB 4.06Å; V357-E394 HydrophobicContact CG1-CB 4.18Å; V357-E394 HydrophobicContact CG2-CB 4.06Å; V357-I397 HydrophobicContact CG1-CB 4.46Å
358	V	97.6	Very high	96.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-57.1	-48.3	179.4	171	0	0	0	0	112.1	V321 L323 V334 W350 D354 G355 R360 M361 L362 I397 V418	V321-V358 HydrophobicContact CG1-CG1 4.5Å; V321-V358 HydrophobicContact CG2-CG1 3.99Å; V321-V358 HydrophobicContact CG2-CG2 4.49Å; L323-V358 HydrophobicContact CD2-CG1 4.21Å; V334-V358 HydrophobicContact CG1-CG1 4.23Å; V334-V358 HydrophobicContact CG1-CG2 4.1Å; V334-V358 HydrophobicContact CG2-CG1 4.22Å; W350-V358 HydrophobicContact CH2-CG2 3.93Å; W350-V358 HydrophobicContact CZ2-CG2 4.44Å; D354-V358 PolarHBondContact O-N 3.4Å; G355-V358 PolarHBondContact O-N 3.13Å; V358-R360 VanDerWaalsContact C-N 3.28Å; V358-R360 PolarHBondContact O-N 3.43Å; V358-M361 WeakPolarHBondContact O-CB 3.39Å; V358-M361 PolarHBondContact O-N 3.36Å; V358-L362 HydrophobicContact CG1-CD1 4.05Å; V358-L362 WeakPolarHBondContact O-CG 3.48Å; V358-L362 PolarHBondContact O-N 3.35Å; V358-I397 HydrophobicContact CG2-CD1 3.78Å; V358-V418 HydrophobicContact CG1-CG2 4.21Å
359	C	96.9	Very high	96.2	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62.4	-36.6	179.5	-70.6	0	0	0	0	111.8	G355 V357 L362 G363 Y364 G366 C420	G355-C359 VanDerWaalsContact O-CB 3.28Å; G355-C359 WeakPolarHBondContact O-CB 3.22Å; G355-C359 PolarHBondContact O-N 3.1Å; G355-C359 PolarHBondContact O-SG 3.35Å; V357-C359 PolarHBondContact O-N 3.01Å; C359-L362 CarbonylContact O-C 3.52Å; C359-L362 PolarHBondContact O-N 3.49Å; C359-G363 PolarHBondContact O-N 3.39Å; C359-Y364 WeakPolarHBondContact O-CA 3.48Å; C359-Y364 WeakPolarHBondContact O-CB 3.29Å; C359-Y364 PolarHBondContact O-N 2.99Å; C359-G366 WeakPolarHBondContact CB-O 3.2Å; C359-C420 WeakPolarHBondContact CA-SG 3.23Å; C359-C420 HydrophobicContact CB-CB 3.72Å; C359-C420 WeakPolarHBondContact CB-SG 3.31Å; C359-C420 WeakPolarHBondContact SG-CA 3.26Å; C359-C420 WeakPolarHBondContact SG-CB 3.4Å; C359-C420 CovalentContact SG-SG 2.04Å; C359-C420 PolarHBondContact SG-SG 3.42Å
360	R	95.4	Very high	96.4	Very high	97 Å²	97	52 Å²	52	37%	0.366	26%	0.257	S	S	.	.	H	α-helix	trans	-71.6	-37.6	177.1	-164.9	-168.8	-39.9	136.8	20.7	112.7	D356 V357 V358 L362 G363 G392 E394	D356-R360 VanDerWaalsContact O-CB 3.29Å; D356-R360 WeakPolarHBondContact O-CB 3.39Å; D356-R360 PolarHBondContact O-NH2 3.15Å; V357-R360 PolarHBondContact O-N 3.05Å; V357-R360 VanDerWaalsContact O-N 3.14Å; V358-R360 VanDerWaalsContact C-N 3.28Å; V358-R360 PolarHBondContact O-N 3.43Å; R360-L362 PolarHBondContact O-N 2.9Å; R360-G363 PolarHBondContact O-N 2.9Å; R360-G392 PolarHBondContact NH1-O 3.13Å; R360-G392 PolarHBondContact NH2-O 3.24Å; R360-E394 PolarHBondContact NH1-O 2.84Å
361	M	94.9	Very high	96.3	Very high	49 Å²	49	52.3 Å²	52.3	24%	0.241	26%	0.258	C	S	.	.	H	α-helix	trans	-56.5	-35.3	170.9	-70.3	174.9	73	0	0	111.9	L320 V321 V357 V358 G363 E395 T396 I397	L320-M361 HydrophobicContact CB-CE 3.91Å; V321-M361 HydrophobicContact CB-CE 3.98Å; V321-M361 HydrophobicContact CB-SD 4.42Å; V321-M361 HydrophobicContact CG1-CB 3.85Å; V321-M361 HydrophobicContact CG1-CE 3.77Å; V321-M361 HydrophobicContact CG1-SD 3.99Å; V357-M361 HydrophobicContact CG1-CG 4.49Å; V357-M361 HydrophobicContact CG1-SD 4.37Å; V357-M361 WeakPolarHBondContact O-CG 3.44Å; V357-M361 PolarHBondContact O-N 3Å; V358-M361 WeakPolarHBondContact O-CB 3.39Å; V358-M361 PolarHBondContact O-N 3.36Å; M361-G363 VanDerWaalsContact C-N 3.32Å; M361-E395 VanDerWaalsContact CG-O 3.31Å; M361-E395 WeakPolarHBondContact CG-O 3.26Å; M361-T396 HydrophobicContact CE-CG2 4.1Å; M361-I397 HydrophobicContact CE-CG2 4.21Å; M361-I397 HydrophobicContact SD-CB 3.99Å; M361-I397 HydrophobicContact SD-CG2 3.88Å; M361-I397 PolarHBondContact SD-N 2.87Å
362	L	94.4	Very high	96.2	Very high	59 Å²	59	53.6 Å²	53.6	31%	0.309	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-1.2	178.2	-65.8	166.6	0	0	0	113.7	V321 L323 V358 C359 R360 Y364	V321-L362 HydrophobicContact CG1-CD1 4.38Å; V321-L362 HydrophobicContact CG1-CD2 3.91Å; V321-L362 HydrophobicContact CG1-CG 3.87Å; L323-L362 HydrophobicContact CD1-CD1 3.77Å; L323-L362 HydrophobicContact CD2-CD1 4.01Å; L323-L362 HydrophobicContact CG-CD1 3.59Å; V358-L362 HydrophobicContact CG1-CD1 4.05Å; V358-L362 WeakPolarHBondContact O-CG 3.48Å; V358-L362 PolarHBondContact O-N 3.35Å; C359-L362 CarbonylContact O-C 3.52Å; C359-L362 PolarHBondContact O-N 3.49Å; R360-L362 PolarHBondContact O-N 2.9Å; L362-Y364 HydrophobicContact CB-CD2 3.75Å; L362-Y364 HydrophobicContact CB-CE2 3.89Å
363	G	94.4	Very high	95.9	Very high	69 Å²	69	54.2 Å²	54.2	71%	0.711	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.6	8.9	178.3	0	0	0	0	0	115.8	C359 R360 M361	C359-G363 PolarHBondContact O-N 3.39Å; R360-G363 PolarHBondContact O-N 2.9Å; M361-G363 VanDerWaalsContact C-N 3.32Å
364	Y	95.6	Very high	95.5	Very high	53 Å²	53	50.3 Å²	50.3	21%	0.208	26%	0.26	C	S	.	.	S	Bend	trans	-86.4	167.7	174.1	-60.3	-67.4	0	0	0	112.3	P329 H330 C359 L362 G366 C420	P329-Y364 PolarHBondContact O-OH 3.45Å; H330-Y364 HydrophobicContact CB-CD1 4.42Å; H330-Y364 HydrophobicContact CB-CE1 3.78Å; H330-Y364 HydrophobicContact CB-CE2 4.17Å; H330-Y364 PolarHBondContact N-OH 2.97Å; C359-Y364 WeakPolarHBondContact O-CA 3.48Å; C359-Y364 WeakPolarHBondContact O-CB 3.29Å; C359-Y364 PolarHBondContact O-N 2.99Å; L362-Y364 HydrophobicContact CB-CD2 3.75Å; L362-Y364 HydrophobicContact CB-CE2 3.89Å; Y364-G366 VanDerWaalsContact C-N 3.33Å; Y364-G366 PolarHBondContact O-N 3.31Å; Y364-C420 HydrophobicContact CD1-CB 4.42Å; Y364-C420 HydrophobicContact CD2-CB 3.64Å; Y364-C420 HydrophobicContact CE2-CB 4.35Å; Y364-C420 HydrophobicContact CG-CB 3.69Å
365	R	92.6	Very high	95.2	Very high	210 Å²	210	58 Å²	58	79%	0.792	29%	0.289	S	S	*	.	S	Bend	trans	-72.8	-22.8	-177	-71.8	-169.1	-87.6	-176.2	-7.8	114.4	A421 M422	R365-A421 PolarHBondContact N-O 3.29Å; R365-M422 PolarHBondContact NE-O 3.19Å; R365-M422 PolarHBondContact NH2-O 3.28Å
366	G	94.3	Very high	95.1	Very high	6 Å²	6	59.2 Å²	59.2	6%	0.062	29%	0.294	C	S	.	.			trans	155.8	-179.9	-177.6	0	0	0	0	0	110.9	D356 C359 Y364 C420 A421	D356-G366 WeakPolarHBondContact OD1-CA 3.38Å; C359-G366 WeakPolarHBondContact CB-O 3.2Å; Y364-G366 VanDerWaalsContact C-N 3.33Å; Y364-G366 PolarHBondContact O-N 3.31Å; G366-C420 CarbonylContact O-C 3.57Å; G366-C420 WeakPolarHBondContact O-CA 3.23Å; G366-A421 PolarHBondContact O-N 2.93Å
367	A	96.8	Very high	94.9	Very high	5 Å²	5	59 Å²	59	4%	0.041	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	130.8	170.4	0	0	0	0	0	110.6	K352 G355 D356 V370	K352-A367 WeakPolarHBondContact CE-O 3.35Å; K352-A367 HydrophobicContact CG-CB 4.38Å; K352-A367 PolarHBondContact NZ-O 3.27Å; G355-A367 VanDerWaalsContact C-CB 3.48Å; D356-A367 PolarHBondContact OD1-N 2.96Å; A367-V370 HydrophobicContact CB-CG1 4.14Å
368	L	96.4	Very high	94.7	Very high	115 Å²	115	64.8 Å²	64.8	60%	0.602	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	-49.8	164	-176.1	70.5	0	0	0	109.4	T419	L368-T419 WeakPolarHBondContact CA-O 3.39Å; L368-T419 WeakPolarHBondContact CB-O 3.39Å; L368-T419 HydrophobicContact CD2-CG2 4.47Å; L368-T419 PolarHBondContact N-O 3.21Å
369	E	96.3	Very high	94.4	Very high	102 Å²	102	65 Å²	65	48%	0.477	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	152.6	177.3	-65.7	-174.2	173.3	0	0	110.4	H371 T419	E369-H371 IonicContact OE2-CE1 3.36Å; E369-H371 PolarHBondContact OE2-CE1 3.07Å; E369-H371 VanDerWaalsContact OE2-CE1 3.24Å; E369-H371 IonicContact OE2-NE2 3.76Å; E369-T419 PolarHBondContact N-O 3.36Å; E369-T419 VanDerWaalsContact N-O 3.15Å; E369-T419 PolarHBondContact O-N 3.07Å
370	V	97.5	Very high	94	Very high	41 Å²	41	71.1 Å²	71.1	25%	0.248	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	143.9	167.7	-61	0	0	0	0	108.8	A367 V418	A367-V370 HydrophobicContact CB-CG1 4.14Å; V370-V418 HydrophobicContact CG1-CG1 4.22Å
371	H	96.8	Very high	93.8	Very high	10 Å²	10	69.1 Å²	69.1	5%	0.046	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	141.8	-170.7	-58.5	-76.3	0	0	0	110.5	E369 R375 F376 G417 T419	E369-H371 IonicContact OE2-CE1 3.36Å; E369-H371 PolarHBondContact OE2-CE1 3.07Å; E369-H371 VanDerWaalsContact OE2-CE1 3.24Å; E369-H371 IonicContact OE2-NE2 3.76Å; H371-R375 HydrophobicContact CB-CB 3.97Å; H371-R375 PolarHBondContact CE1-NH1 2.99Å; H371-R375 VanDerWaalsContact CG-CD 3.46Å; H371-R375 WeakPolarHBondContact ND1-CD 3.45Å; H371-R375 PolarHBondContact ND1-NH1 3.07Å; H371-F376 HydrophobicContact CB-CE2 4.15Å; H371-F376 AromaticContact CD2-CE2 3.5Å; H371-F376 VanDerWaalsContact CD2-CE2 3.5Å; H371-F376 WeakPolarHBondContact CD2-CE2 3.37Å; H371-F376 AromaticContact CD2-CZ 3.79Å; H371-F376 AromaticContact CG-CE2 3.95Å; H371-G417 PolarHBondContact N-O 3.24Å; H371-G417 PolarHBondContact O-N 3.38Å; H371-T419 PolarHBondContact NE2-OG1 3.04Å
372	K	94.4	Very high	93.7	Very high	82 Å²	82	68 Å²	68	36%	0.357	37%	0.373	S	S	.	.			trans	-115.1	180	178.4	-55.7	-148.8	176.3	-148.8	0	109.9	D347 W350 G374 R375	D347-K372 HydrophobicContact CB-CB 3.87Å; D347-K372 HydrophobicContact CB-CD 3.93Å; D347-K372 HydrophobicContact CB-CG 3.84Å; D347-K372 PolarHBondContact O-NZ 2.97Å; D347-K372 WeakPolarHBondContact OD2-CA 3.43Å; D347-K372 WeakPolarHBondContact OD2-CB 3.49Å; W350-K372 WeakPolarHBondContact O-CE 3.45Å; W350-K372 PolarHBondContact O-NZ 3.16Å; K372-G374 VanDerWaalsContact C-N 3.31Å; K372-G374 PolarHBondContact O-N 3.26Å; K372-R375 PolarHBondContact O-N 2.76Å
373	T	91.6	Very high	93.7	Very high	111 Å²	111	65.8 Å²	65.8	68%	0.681	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	43.5	173.2	62.2	0	0	0	0	113.4	D347 R375 V413	D347-T373 PolarHBondContact OD2-N 3.33Å; T373-R375 VanDerWaalsContact C-N 3.33Å; T373-R375 PolarHBondContact O-N 2.67Å; T373-V413 CarbonylContact C-O 3.58Å; T373-V413 WeakPolarHBondContact CA-O 3.25Å
374	G	88.9	Confident	93.9	Very high	11 Å²	11	63.1 Å²	63.1	11%	0.113	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	33.7	173.2	0	0	0	0	0	114.9	K372 F376 G377 V413 D415	K372-G374 VanDerWaalsContact C-N 3.31Å; K372-G374 PolarHBondContact O-N 3.26Å; G374-F376 PolarHBondContact O-N 3.03Å; G374-F376 VanDerWaalsContact O-N 3.08Å; G374-G377 CarbonylContact O-C 3.59Å; G374-G377 VanDerWaalsContact O-CA 3.27Å; G374-G377 WeakPolarHBondContact O-CA 3.39Å; G374-G377 PolarHBondContact O-N 2.93Å; G374-V413 PolarHBondContact N-O 2.93Å; G374-V413 VanDerWaalsContact N-O 3.17Å; G374-D415 WeakPolarHBondContact CA-O 3.45Å; G374-D415 PolarHBondContact N-O 3.46Å
375	R	92.6	Very high	94	Very high	162 Å²	162	60.7 Å²	60.7	61%	0.611	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	-39	-173.1	-177.2	-178.5	-179.7	142.7	-0.4	114.7	H371 K372 T373 G377	H371-R375 HydrophobicContact CB-CB 3.97Å; H371-R375 PolarHBondContact CE1-NH1 2.99Å; H371-R375 VanDerWaalsContact CG-CD 3.46Å; H371-R375 WeakPolarHBondContact ND1-CD 3.45Å; H371-R375 PolarHBondContact ND1-NH1 3.07Å; K372-R375 PolarHBondContact O-N 2.76Å; T373-R375 VanDerWaalsContact C-N 3.33Å; T373-R375 PolarHBondContact O-N 2.67Å; R375-G377 PolarHBondContact O-N 2.68Å
376	F	95.4	Very high	94.2	Very high	25 Å²	25	50.7 Å²	50.7	11%	0.11	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	27.2	178.9	-58.4	-80.1	0	0	0	112.3	N325 E331 G332 R333 H371 G374	N325-F376 HydrophobicContact CB-CB 4.19Å; N325-F376 WeakPolarHBondContact CB-O 3.49Å; N325-F376 PolarHBondContact ND2-O 2.87Å; E331-F376 HydrophobicContact CB-CE1 4.23Å; E331-F376 HydrophobicContact CB-CZ 4.05Å; E331-F376 HydrophobicContact CG-CE1 4.32Å; G332-F376 WeakPolarHBondContact O-CD2 3.5Å; R333-F376 HydrophobicContact CB-CB 4.13Å; R333-F376 PolarHBondContact NH1-O 3.34Å; H371-F376 HydrophobicContact CB-CE2 4.15Å; H371-F376 AromaticContact CD2-CE2 3.5Å; H371-F376 VanDerWaalsContact CD2-CE2 3.5Å; H371-F376 WeakPolarHBondContact CD2-CE2 3.37Å; H371-F376 AromaticContact CD2-CZ 3.79Å; H371-F376 AromaticContact CG-CE2 3.95Å; G374-F376 PolarHBondContact O-N 3.03Å; G374-F376 VanDerWaalsContact O-N 3.08Å
377	G	93	Very high	94.4	Very high	33 Å²	33	54 Å²	54	34%	0.34	30%	0.299	S	S	.	.			trans	76.8	157.1	-169.8	0	0	0	0	0	112.5	R333 G374 R375	R333-G377 PolarHBondContact NH1-O 3.03Å; G374-G377 CarbonylContact O-C 3.59Å; G374-G377 VanDerWaalsContact O-CA 3.27Å; G374-G377 WeakPolarHBondContact O-CA 3.39Å; G374-G377 PolarHBondContact O-N 2.93Å; R375-G377 PolarHBondContact O-N 2.68Å
378	Q	93.6	Very high	94.4	Very high	120 Å²	120	53.7 Å²	53.7	56%	0.561	30%	0.297	S	S	*	.			trans	-69.9	142.4	176.9	-58.1	-177.9	8.7	0	0	110.3	R333 H412 V413	R333-Q378 PolarHBondContact NH1-O 3.36Å; Q378-H412 HydrophobicContact CB-CB 3.95Å; Q378-H412 HydrophobicContact CG-CB 4.49Å; Q378-H412 WeakPolarHBondContact CG-O 3.46Å; Q378-V413 VanDerWaalsContact NE2-CG1 3.34Å
379	G	90.6	Very high	94.4	Very high	6 Å²	6	50.3 Å²	50.3	6%	0.062	29%	0.285	C	S	.	.			trans	-79.2	-171.2	166.4	0	0	0	0	0	111.9	H412 D415	G379-H412 PolarHBondContact O-CD2 3.43Å; G379-D415 WeakPolarHBondContact CA-OD2 3.3Å; G379-D415 PolarHBondContact N-OD2 2.67Å
380	T	87.8	Confident	94.5	Very high	128 Å²	128	45.8 Å²	45.8	79%	0.785	27%	0.265	S	S	*	.			trans	-143.9	146.4	176.6	55.7	0	0	0	0	110.7	H412	T380-H412 VanDerWaalsContact C-NE2 3.35Å; T380-H412 WeakPolarHBondContact CA-NE2 3.24Å
381	G	92.6	Very high	94.4	Very high	55 Å²	55	48.3 Å²	48.3	57%	0.567	28%	0.281	S	S	*	.	S	Bend	trans	98.6	-116.1	175.7	0	0	0	0	0	112.7	H412	G381-H412 PolarHBondContact N-NE2 3.33Å; G381-H412 VanDerWaalsContact N-NE2 3.19Å
382	V	92.6	Very high	94.1	Very high	25 Å²	25	48.7 Å²	48.7	15%	0.152	29%	0.287	C	S	.	.			trans	-103.4	134.1	-173.1	62.9	0	0	0	0	110.8	G343 T344 W384 A406	G343-V382 CarbonylContact C-O 3.44Å; G343-V382 WeakPolarHBondContact CA-O 3.41Å; T344-V382 PolarHBondContact N-O 3.24Å; V382-W384 HydrophobicContact CG1-CD2 3.87Å; V382-W384 HydrophobicContact CG1-CE3 4.44Å; V382-W384 HydrophobicContact CG1-CG 4.28Å; V382-W384 HydrophobicContact CG1-CH2 4.43Å; V382-W384 HydrophobicContact CG1-CZ2 3.87Å; V382-W384 HydrophobicContact CG2-CD2 3.99Å; V382-W384 HydrophobicContact CG2-CE3 3.81Å; V382-W384 HydrophobicContact CG2-CH2 4.45Å; V382-W384 HydrophobicContact CG2-CZ3 4.04Å; V382-A406 HydrophobicContact CG2-CB 3.9Å
383	I	94.6	Very high	94.1	Very high	13 Å²	13	50.4 Å²	50.4	7%	0.067	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	113.6	163.7	-51.3	179.4	0	0	0	105.5	T344 C346 A406 T408 C410	T344-I383 CarbonylContact O-C 2.98Å; C346-I383 HydrophobicContact CB-CG2 4.2Å; I383-A406 WeakPolarHBondContact O-CA 3.43Å; I383-T408 HydrophobicContact CB-CG2 4Å; I383-T408 HydrophobicContact CD1-CG2 4.37Å; I383-T408 HydrophobicContact CG2-CG2 4.34Å; I383-C410 HydrophobicContact CD1-CB 4.2Å; I383-C410 WeakPolarHBondContact CD1-O 3.37Å
384	W	97.6	Very high	94.3	Very high	13 Å²	13	46.1 Å²	46.1	5%	0.049	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	-31.4	-170.5	-87.7	139.8	0	0	0	113.9	V336 H338 E339 R341 G343 T344 V382 W405 A406	V336-W384 VanDerWaalsContact O-CD1 3.32Å; H338-W384 HydrophobicContact CB-CD2 3.9Å; H338-W384 HydrophobicContact CB-CE3 4.44Å; H338-W384 HydrophobicContact CB-CG 4.1Å; H338-W384 HydrophobicContact CB-CZ2 4.1Å; H338-W384 AromaticContact CD2-CE3 3.95Å; H338-W384 AromaticContact CD2-CH2 3.86Å; H338-W384 AromaticContact CD2-CZ3 3.77Å; H338-W384 WeakPolarHBondContact O-CZ2 3.48Å; E339-W384 HydrophobicContact CB-CH2 4.35Å; E339-W384 HydrophobicContact CB-CZ2 4.4Å; R341-W384 HydrophobicContact CB-CZ2 4.09Å; R341-W384 PolarHBondContact O-NE1 3.19Å; G343-W384 VanDerWaalsContact N-CD1 3.34Å; T344-W384 PolarHBondContact O-N 3.21Å; V382-W384 HydrophobicContact CG1-CD2 3.87Å; V382-W384 HydrophobicContact CG1-CE3 4.44Å; V382-W384 HydrophobicContact CG1-CG 4.28Å; V382-W384 HydrophobicContact CG1-CH2 4.43Å; V382-W384 HydrophobicContact CG1-CZ2 3.87Å; V382-W384 HydrophobicContact CG2-CD2 3.99Å; V382-W384 HydrophobicContact CG2-CE3 3.81Å; V382-W384 HydrophobicContact CG2-CH2 4.45Å; V382-W384 HydrophobicContact CG2-CZ3 4.04Å; W384-W405 HydrophobicContact CB-CE3 4.24Å; W384-W405 HydrophobicContact CB-CZ3 4.31Å; W384-W405 HydrophobicContact CE3-CE3 4.46Å; W384-W405 WeakPolarHBondContact O-CA 3.45Å; W384-A406 HydrophobicContact CE3-CB 3.89Å; W384-A406 HydrophobicContact CZ3-CB 3.87Å; W384-A406 PolarHBondContact O-N 3.37Å
385	M	97.9	Very high	94.5	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	142.3	-170.4	-53.3	-177.1	71.4	0	0	110.4	V336 V345 C346 V388 I397 F402 W405	V336-M385 HydrophobicContact CG1-SD 4.19Å; V336-M385 HydrophobicContact CG2-SD 4.11Å; V345-M385 WeakPolarHBondContact CA-O 3.36Å; V345-M385 HydrophobicContact CG1-CB 4.16Å; V345-M385 HydrophobicContact CG2-CB 4.28Å; C346-M385 PolarHBondContact N-O 3.46Å; M385-V388 HydrophobicContact CB-CG2 3.75Å; M385-V388 HydrophobicContact CE-CG2 4.35Å; M385-I397 HydrophobicContact CE-CG1 4Å; M385-I397 HydrophobicContact SD-CD1 4.18Å; M385-I397 HydrophobicContact SD-CG1 4.07Å; M385-I397 HydrophobicContact SD-CG2 4.33Å; M385-F402 HydrophobicContact CB-CD2 4.11Å; M385-F402 HydrophobicContact CE-CB 4.25Å; M385-F402 HydrophobicContact CE-CD1 3.55Å; M385-F402 HydrophobicContact CE-CD2 3.93Å; M385-F402 HydrophobicContact CE-CE1 3.77Å; M385-F402 HydrophobicContact CE-CE2 4.08Å; M385-F402 HydrophobicContact CE-CG 3.67Å; M385-F402 HydrophobicContact CE-CZ 4.03Å; M385-F402 HydrophobicContact CG-CD2 4.16Å; M385-F402 HydrophobicContact CG-CE2 4.16Å; M385-W405 HydrophobicContact CE-CH2 4.39Å; M385-W405 HydrophobicContact CG-CE3 4.12Å; M385-W405 HydrophobicContact CG-CH2 4.35Å; M385-W405 HydrophobicContact CG-CZ3 3.6Å; M385-W405 HydrophobicContact SD-CH2 4.05Å; M385-W405 HydrophobicContact SD-CZ3 3.84Å
386	D	97.4	Very high	94.6	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	28%	0.28	C	S	.	.			trans	-149.7	158	-178.1	-167.1	3.1	0	0	0	109.1	C346 D348 V388 F402 S403 T408 N409 C410	C346-D386 HydrophobicContact CB-CB 4.14Å; C346-D386 WeakPolarHBondContact CB-OD1 3.36Å; D348-D386 WeakPolarHBondContact CB-OD1 3.38Å; D386-V388 PolarHBondContact O-N 2.91Å; D386-F402 WeakPolarHBondContact O-CA 3.44Å; D386-F402 VanDerWaalsContact O-CB 3.29Å; D386-F402 WeakPolarHBondContact O-CB 3.44Å; D386-S403 PolarHBondContact O-N 3.2Å; D386-S403 PolarHBondContact O-OG 3.29Å; D386-T408 VanDerWaalsContact CG-OG1 3.29Å; D386-T408 WeakPolarHBondContact OD2-CA 3.23Å; D386-T408 WeakPolarHBondContact OD2-CB 3.36Å; D386-T408 PolarHBondContact OD2-OG1 3.4Å; D386-N409 PolarHBondContact OD2-N 2.87Å; D386-C410 PolarHBondContact OD2-SG 3.49Å; D386-C410 VanDerWaalsContact OD2-SG 3.39Å
387	D	97.1	Very high	94.6	Very high	74 Å²	74	44.5 Å²	44.5	40%	0.396	28%	0.275	S	S	.	.	S	Bend	trans	49.1	40.2	-168.2	-81.5	-40.6	0	0	0	112.5	V349 A389 F402	V349-D387 VanDerWaalsContact CG2-OD1 3.25Å; V349-D387 WeakPolarHBondContact CG2-OD1 3.49Å; D387-A389 PolarHBondContact O-N 2.97Å; D387-F402 WeakPolarHBondContact O-CA 3.28Å
388	V	97.9	Very high	94.7	Very high	0 Å²	0	45 Å²	45	0%	0	27%	0.269	C	S	.	.			trans	-67	123.3	-178.3	-172.3	0	0	0	0	109.2	V345 W350 D354 M385 D386 I397 C400 F402	V345-V388 HydrophobicContact CG1-CG2 3.67Å; W350-V388 HydrophobicContact CE3-CB 4.03Å; W350-V388 HydrophobicContact CE3-CG1 4.44Å; W350-V388 HydrophobicContact CE3-CG2 4.48Å; W350-V388 HydrophobicContact CZ3-CB 4.03Å; W350-V388 HydrophobicContact CZ3-CG1 4.03Å; W350-V388 HydrophobicContact CZ3-CG2 4.32Å; D354-V388 HydrophobicContact CB-CG1 4.34Å; M385-V388 HydrophobicContact CB-CG2 3.75Å; M385-V388 HydrophobicContact CE-CG2 4.35Å; D386-V388 PolarHBondContact O-N 2.91Å; V388-I397 HydrophobicContact CG1-CD1 4.4Å; V388-I397 HydrophobicContact CG1-CG1 4.27Å; V388-C400 HydrophobicContact CG1-CB 4.24Å; V388-F402 HydrophobicContact CG2-CB 4.16Å
389	A	96.6	Very high	94.8	Very high	43 Å²	43	44.7 Å²	44.7	36%	0.355	27%	0.267	S	S	.	.	B	Isolated β-bridge	trans	-138.1	73.1	-174.6	0	0	0	0	0	109.7	D387 K401	D387-A389 PolarHBondContact O-N 2.97Å; A389-K401 PolarHBondContact N-O 2.93Å
390	C	97.7	Very high	95	Very high	7 Å²	7	44.7 Å²	44.7	5%	0.047	27%	0.266	C	S	.	.			trans	-66.2	144.1	171.2	-61.8	0	0	0	0	111	K353 D354 V357 C400	K353-C390 HydrophobicContact CB-CB 4.47Å; K353-C390 WeakPolarHBondContact CD-O 3.42Å; D354-C390 WeakPolarHBondContact OD1-CB 3.46Å; D354-C390 PolarHBondContact OD1-N 3.17Å; D354-C390 PolarHBondContact OD1-SG 3.39Å; V357-C390 HydrophobicContact CG2-CB 4.06Å; C390-C400 VanDerWaalsContact CA-SG 3.57Å; C390-C400 HydrophobicContact CB-CB 3.88Å; C390-C400 WeakPolarHBondContact CB-SG 3.23Å; C390-C400 WeakPolarHBondContact SG-CB 3.4Å; C390-C400 CovalentContact SG-SG 2.02Å; C390-C400 PolarHBondContact SG-SG 3.35Å
391	T	95.7	Very high	95.5	Very high	95 Å²	95	46.5 Å²	46.5	58%	0.583	26%	0.263	S	S	*	.			trans	-71.5	-21.3	165.6	63.2	0	0	0	0	111.9	T393 E394	T391-T393 PolarHBondContact OG1-N 3.02Å; T391-T393 PolarHBondContact OG1-OG1 3.42Å; T391-T393 VanDerWaalsContact OG1-OG1 3.1Å; T391-E394 WeakPolarHBondContact CB-OE1 3.47Å; T391-E394 PolarHBondContact N-OE1 3.11Å; T391-E394 PolarHBondContact N-OE2 2.7Å; T391-E394 PolarHBondContact OG1-OE1 2.71Å; T391-E394 PolarHBondContact OG1-OE2 3.49Å; T391-E394 VanDerWaalsContact OG1-OE2 3.12Å
392	G	91.4	Very high	95.7	Very high	17 Å²	17	45.9 Å²	45.9	18%	0.175	25%	0.245	C	C	.	.	S	Bend	trans	97.8	-6.8	-177.9	0	0	0	0	0	113	R360 E394	R360-G392 PolarHBondContact NH1-O 3.13Å; R360-G392 PolarHBondContact NH2-O 3.24Å; G392-E394 WeakPolarHBondContact CA-OE2 3.32Å; G392-E394 PolarHBondContact N-OE2 2.93Å
393	T	92.9	Very high	95.6	Very high	118 Å²	118	46.9 Å²	46.9	72%	0.724	25%	0.253	S	S	*	.			trans	-100.6	-8.2	-178.9	61.4	0	0	0	0	114.2	T391	T391-T393 PolarHBondContact OG1-N 3.02Å; T391-T393 PolarHBondContact OG1-OG1 3.42Å; T391-T393 VanDerWaalsContact OG1-OG1 3.1Å
394	E	96.8	Very high	95.6	Very high	22 Å²	22	47.1 Å²	47.1	10%	0.103	26%	0.258	C	S	.	.			trans	-59.6	145.9	-178.7	-63.8	80.1	-175.2	0	0	112.2	V357 R360 T391 G392 Q399	V357-E394 HydrophobicContact CG1-CB 4.18Å; V357-E394 HydrophobicContact CG2-CB 4.06Å; R360-E394 PolarHBondContact NH1-O 2.84Å; T391-E394 WeakPolarHBondContact CB-OE1 3.47Å; T391-E394 PolarHBondContact N-OE1 3.11Å; T391-E394 PolarHBondContact N-OE2 2.7Å; T391-E394 PolarHBondContact OG1-OE1 2.71Å; T391-E394 PolarHBondContact OG1-OE2 3.49Å; T391-E394 VanDerWaalsContact OG1-OE2 3.12Å; G392-E394 WeakPolarHBondContact CA-OE2 3.32Å; G392-E394 PolarHBondContact N-OE2 2.93Å; E394-Q399 HydrophobicContact CB-CB 4.13Å; E394-Q399 HydrophobicContact CG-CB 3.97Å
395	E	92.5	Very high	95.5	Very high	139 Å²	139	50.4 Å²	50.4	65%	0.65	27%	0.271	S	S	*	.	S	Bend	trans	-79.9	-29	172.4	-70.3	-167.6	175.6	0	0	112.1	M361	M361-E395 VanDerWaalsContact CG-O 3.31Å; M361-E395 WeakPolarHBondContact CG-O 3.26Å
396	T	94.7	Very high	95.3	Very high	24 Å²	24	52.8 Å²	52.8	15%	0.147	29%	0.291	C	S	.	.	S	Bend	trans	-138.6	148.7	178.3	68.3	0	0	0	0	111.9	M361 H398 Q399	M361-T396 HydrophobicContact CE-CG2 4.1Å; T396-H398 PolarHBondContact O-N 3.31Å; T396-Q399 WeakPolarHBondContact O-CB 3.43Å; T396-Q399 PolarHBondContact O-N 3.29Å
397	I	96.2	Very high	95	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-58.7	-31.1	177.1	-167.9	172.3	0	0	0	112.2	V336 V345 W350 V357 V358 M361 M385 V388 Q399 C400	V336-I397 HydrophobicContact CG1-CG2 4.44Å; V336-I397 HydrophobicContact CG2-CD1 4.39Å; V336-I397 HydrophobicContact CG2-CG2 4.04Å; V345-I397 HydrophobicContact CG2-CD1 4.47Å; W350-I397 HydrophobicContact CH2-CD1 3.92Å; W350-I397 HydrophobicContact CZ3-CD1 3.96Å; V357-I397 HydrophobicContact CG1-CB 4.46Å; V358-I397 HydrophobicContact CG2-CD1 3.78Å; M361-I397 HydrophobicContact CE-CG2 4.21Å; M361-I397 HydrophobicContact SD-CB 3.99Å; M361-I397 HydrophobicContact SD-CG2 3.88Å; M361-I397 PolarHBondContact SD-N 2.87Å; M385-I397 HydrophobicContact CE-CG1 4Å; M385-I397 HydrophobicContact SD-CD1 4.18Å; M385-I397 HydrophobicContact SD-CG1 4.07Å; M385-I397 HydrophobicContact SD-CG2 4.33Å; V388-I397 HydrophobicContact CG1-CD1 4.4Å; V388-I397 HydrophobicContact CG1-CG1 4.27Å; I397-Q399 PolarHBondContact O-N 3.33Å; I397-Q399 VanDerWaalsContact O-N 3.08Å; I397-C400 WeakPolarHBondContact O-CB 3.39Å; I397-C400 PolarHBondContact O-N 2.88Å
398	H	94.7	Very high	94.8	Very high	45 Å²	45	58.5 Å²	58.5	21%	0.208	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-59.8	-16	173.3	-55.5	60.9	0	0	0	114.5	V336 L337 T396 W405	V336-H398 VanDerWaalsContact CG1-CE1 3.41Å; V336-H398 WeakPolarHBondContact CG1-CE1 3.23Å; L337-H398 PolarHBondContact O-NE2 3.42Å; L337-H398 VanDerWaalsContact O-NE2 3.13Å; T396-H398 PolarHBondContact O-N 3.31Å; H398-W405 HydrophobicContact CB-CH2 4.37Å; H398-W405 HydrophobicContact CB-CZ2 4.39Å; H398-W405 AromaticContact CD2-CH2 3.34Å; H398-W405 WeakPolarHBondContact CD2-CH2 3.31Å; H398-W405 AromaticContact CD2-CZ2 3.7Å; H398-W405 AromaticContact CG-CH2 3.93Å; H398-W405 AromaticContact NE2-CH2 3.86Å
399	Q	94.8	Very high	94.5	Very high	112 Å²	112	64.4 Å²	64.4	52%	0.523	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-91.4	-15.6	175.7	-64.9	169.2	-11.6	0	0	113	E394 T396 I397	E394-Q399 HydrophobicContact CB-CB 4.13Å; E394-Q399 HydrophobicContact CG-CB 3.97Å; T396-Q399 WeakPolarHBondContact O-CB 3.43Å; T396-Q399 PolarHBondContact O-N 3.29Å; I397-Q399 PolarHBondContact O-N 3.33Å; I397-Q399 VanDerWaalsContact O-N 3.08Å
400	C	96.4	Very high	94.4	Very high	7 Å²	7	63.1 Å²	63.1	5%	0.047	34%	0.336	C	S	.	.	S	Bend	trans	-68.3	162.7	178.7	-58.1	0	0	0	0	110.9	V388 C390 I397 F402	V388-C400 HydrophobicContact CG1-CB 4.24Å; C390-C400 VanDerWaalsContact CA-SG 3.57Å; C390-C400 HydrophobicContact CB-CB 3.88Å; C390-C400 WeakPolarHBondContact CB-SG 3.23Å; C390-C400 WeakPolarHBondContact SG-CB 3.4Å; C390-C400 CovalentContact SG-SG 2.02Å; C390-C400 PolarHBondContact SG-SG 3.35Å; I397-C400 WeakPolarHBondContact O-CB 3.39Å; I397-C400 PolarHBondContact O-N 2.88Å; C400-F402 WeakPolarHBondContact O-CD1 3.43Å
401	K	96.5	Very high	94.1	Very high	165 Å²	165	64.2 Å²	64.2	72%	0.717	35%	0.349	S	S	*	.	B	Isolated β-bridge	trans	-77.8	139.4	169.6	-171.9	-174.7	173.9	-162.9	0	109.1	A389	A389-K401 PolarHBondContact N-O 2.93Å
402	F	97.1	Very high	94.1	Very high	42 Å²	42	61.4 Å²	61.4	18%	0.184	33%	0.329	C	S	.	.			trans	-157.7	171.5	175.6	66.1	-75	0	0	0	109.6	M385 D386 D387 V388 C400 G404 W405	M385-F402 HydrophobicContact CB-CD2 4.11Å; M385-F402 HydrophobicContact CE-CB 4.25Å; M385-F402 HydrophobicContact CE-CD1 3.55Å; M385-F402 HydrophobicContact CE-CD2 3.93Å; M385-F402 HydrophobicContact CE-CE1 3.77Å; M385-F402 HydrophobicContact CE-CE2 4.08Å; M385-F402 HydrophobicContact CE-CG 3.67Å; M385-F402 HydrophobicContact CE-CZ 4.03Å; M385-F402 HydrophobicContact CG-CD2 4.16Å; M385-F402 HydrophobicContact CG-CE2 4.16Å; D386-F402 WeakPolarHBondContact O-CA 3.44Å; D386-F402 VanDerWaalsContact O-CB 3.29Å; D386-F402 WeakPolarHBondContact O-CB 3.44Å; D387-F402 WeakPolarHBondContact O-CA 3.28Å; V388-F402 HydrophobicContact CG2-CB 4.16Å; C400-F402 WeakPolarHBondContact O-CD1 3.43Å; F402-G404 PolarHBondContact O-N 2.83Å; F402-W405 HydrophobicContact CE1-CZ2 4.39Å; F402-W405 AromaticContact CE2-CD2 3.84Å; F402-W405 HydrophobicContact CE2-CD2 3.84Å; F402-W405 AromaticContact CE2-CE3 4Å; F402-W405 HydrophobicContact CE2-CE3 4Å; F402-W405 HydrophobicContact CE2-CG 4.18Å; F402-W405 HydrophobicContact CE2-CZ2 4.46Å; F402-W405 HydrophobicContact CE2-CZ3 4.36Å; F402-W405 AromaticContact CZ-CD2 3.75Å; F402-W405 HydrophobicContact CZ-CD2 3.75Å; F402-W405 AromaticContact CZ-CE2 3.5Å; F402-W405 VanDerWaalsContact CZ-CE2 3.5Å; F402-W405 HydrophobicContact CZ-CE3 4.15Å; F402-W405 HydrophobicContact CZ-CG 4.22Å; F402-W405 HydrophobicContact CZ-CH2 4.06Å; F402-W405 AromaticContact CZ-CZ2 3.67Å; F402-W405 HydrophobicContact CZ-CZ2 3.67Å; F402-W405 HydrophobicContact CZ-CZ3 4.3Å; F402-W405 AromaticContact CZ-NE1 3.83Å
403	S	92.2	Very high	94.3	Very high	46 Å²	46	64.2 Å²	64.2	32%	0.322	34%	0.343	S	S	.	.	S	Bend	trans	-59	-25.8	-178.2	62.7	0	0	0	0	115	D386 K407	D386-S403 PolarHBondContact O-N 3.2Å; D386-S403 PolarHBondContact O-OG 3.29Å; S403-K407 WeakPolarHBondContact CB-O 3.17Å; S403-K407 PolarHBondContact OG-O 2.89Å
404	G	93.8	Very high	94.5	Very high	18 Å²	18	61.6 Å²	61.6	19%	0.186	32%	0.322	C	S	.	.			trans	118.7	157.5	-174.1	0	0	0	0	0	112.6	F402 A406 K407	F402-G404 PolarHBondContact O-N 2.83Å; G404-A406 PolarHBondContact O-N 3.38Å; G404-K407 PolarHBondContact O-N 3.05Å; G404-K407 VanDerWaalsContact O-N 3.11Å
405	W	95.6	Very high	94.5	Very high	83 Å²	83	60.6 Å²	60.6	31%	0.314	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	126.9	-172.6	-63.4	111.1	0	0	0	112.5	V336 H338 W384 M385 H398 F402 K407	V336-W405 HydrophobicContact CG1-CZ3 4.41Å; H338-W405 HydrophobicContact CB-CE3 4.06Å; H338-W405 HydrophobicContact CB-CH2 4.49Å; H338-W405 HydrophobicContact CB-CZ3 3.93Å; H338-W405 AromaticContact CD2-CD2 3.76Å; H338-W405 AromaticContact CD2-CE3 3.8Å; H338-W405 AromaticContact CD2-CG 3.99Å; H338-W405 AromaticContact CE1-CD1 3.68Å; H338-W405 AromaticContact CE1-CD2 3.39Å; H338-W405 AromaticContact CE1-CE2 3.24Å; H338-W405 AromaticContact CE1-CE3 3.98Å; H338-W405 AromaticContact CE1-CG 3.69Å; H338-W405 AromaticContact CE1-CZ2 3.77Å; H338-W405 AromaticContact CE1-NE1 3.41Å; H338-W405 PolarHBondContact CE1-NE1 2.98Å; H338-W405 AromaticContact CG-CD2 3.81Å; H338-W405 AromaticContact CG-CE3 3.59Å; H338-W405 AromaticContact CG-CZ3 3.8Å; H338-W405 AromaticContact ND1-CD2 3.57Å; H338-W405 AromaticContact ND1-CE2 3.45Å; H338-W405 AromaticContact ND1-CE3 3.7Å; H338-W405 AromaticContact ND1-CH2 3.72Å; H338-W405 AromaticContact ND1-CZ2 3.54Å; H338-W405 AromaticContact ND1-CZ3 3.77Å; H338-W405 AromaticContact NE2-CD1 3.71Å; H338-W405 AromaticContact NE2-CD2 3.52Å; H338-W405 AromaticContact NE2-CE2 3.85Å; H338-W405 AromaticContact NE2-CG 3.47Å; H338-W405 AromaticContact NE2-NE1 3.93Å; W384-W405 HydrophobicContact CB-CE3 4.24Å; W384-W405 HydrophobicContact CB-CZ3 4.31Å; W384-W405 HydrophobicContact CE3-CE3 4.46Å; W384-W405 WeakPolarHBondContact O-CA 3.45Å; M385-W405 HydrophobicContact CE-CH2 4.39Å; M385-W405 HydrophobicContact CG-CE3 4.12Å; M385-W405 HydrophobicContact CG-CH2 4.35Å; M385-W405 HydrophobicContact CG-CZ3 3.6Å; M385-W405 HydrophobicContact SD-CH2 4.05Å; M385-W405 HydrophobicContact SD-CZ3 3.84Å; H398-W405 HydrophobicContact CB-CH2 4.37Å; H398-W405 HydrophobicContact CB-CZ2 4.39Å; H398-W405 AromaticContact CD2-CH2 3.34Å; H398-W405 WeakPolarHBondContact CD2-CH2 3.31Å; H398-W405 AromaticContact CD2-CZ2 3.7Å; H398-W405 AromaticContact CG-CH2 3.93Å; H398-W405 AromaticContact NE2-CH2 3.86Å; F402-W405 HydrophobicContact CE1-CZ2 4.39Å; F402-W405 AromaticContact CE2-CD2 3.84Å; F402-W405 HydrophobicContact CE2-CD2 3.84Å; F402-W405 AromaticContact CE2-CE3 4Å; F402-W405 HydrophobicContact CE2-CE3 4Å; F402-W405 HydrophobicContact CE2-CG 4.18Å; F402-W405 HydrophobicContact CE2-CZ2 4.46Å; F402-W405 HydrophobicContact CE2-CZ3 4.36Å; F402-W405 AromaticContact CZ-CD2 3.75Å; F402-W405 HydrophobicContact CZ-CD2 3.75Å; F402-W405 AromaticContact CZ-CE2 3.5Å; F402-W405 VanDerWaalsContact CZ-CE2 3.5Å; F402-W405 HydrophobicContact CZ-CE3 4.15Å; F402-W405 HydrophobicContact CZ-CG 4.22Å; F402-W405 HydrophobicContact CZ-CH2 4.06Å; F402-W405 AromaticContact CZ-CZ2 3.67Å; F402-W405 HydrophobicContact CZ-CZ2 3.67Å; F402-W405 HydrophobicContact CZ-CZ3 4.3Å; F402-W405 AromaticContact CZ-NE1 3.83Å; W405-K407 PolarHBondContact O-N 2.86Å; W405-K407 VanDerWaalsContact O-N 3.15Å
406	A	92.3	Very high	94.8	Very high	51 Å²	51	54 Å²	54	42%	0.421	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	21.9	-177.2	0	0	0	0	0	115.1	V382 I383 W384 G404	V382-A406 HydrophobicContact CG2-CB 3.9Å; I383-A406 WeakPolarHBondContact O-CA 3.43Å; W384-A406 HydrophobicContact CE3-CB 3.89Å; W384-A406 HydrophobicContact CZ3-CB 3.87Å; W384-A406 PolarHBondContact O-N 3.37Å; G404-A406 PolarHBondContact O-N 3.38Å
407	K	92.6	Very high	94.9	Very high	142 Å²	142	52.9 Å²	52.9	62%	0.617	28%	0.28	S	S	*	.			trans	-100	100.5	172.6	-64.7	-175.1	180	-176.2	0	109	S403 G404 W405	S403-K407 WeakPolarHBondContact CB-O 3.17Å; S403-K407 PolarHBondContact OG-O 2.89Å; G404-K407 PolarHBondContact O-N 3.05Å; G404-K407 VanDerWaalsContact O-N 3.11Å; W405-K407 PolarHBondContact O-N 2.86Å; W405-K407 VanDerWaalsContact O-N 3.15Å
408	T	93.3	Very high	95	Very high	52 Å²	52	52.9 Å²	52.9	32%	0.319	28%	0.28	S	S	.	.			trans	-144.4	152.6	-177.9	-177	0	0	0	0	111.7	I383 D386 C410	I383-T408 HydrophobicContact CB-CG2 4Å; I383-T408 HydrophobicContact CD1-CG2 4.37Å; I383-T408 HydrophobicContact CG2-CG2 4.34Å; D386-T408 VanDerWaalsContact CG-OG1 3.29Å; D386-T408 WeakPolarHBondContact OD2-CA 3.23Å; D386-T408 WeakPolarHBondContact OD2-CB 3.36Å; D386-T408 PolarHBondContact OD2-OG1 3.4Å; T408-C410 VanDerWaalsContact OG1-CB 3.3Å; T408-C410 WeakPolarHBondContact OG1-CB 3.42Å; T408-C410 PolarHBondContact OG1-N 3.49Å; T408-C410 PolarHBondContact OG1-SG 3.14Å; T408-C410 VanDerWaalsContact OG1-SG 3.41Å
409	N	91.6	Very high	95.2	Very high	124 Å²	124	51.5 Å²	51.5	66%	0.663	28%	0.275	S	S	*	.	S	Bend	trans	-99.2	-1.8	164.9	48.9	-98.2	0	0	0	113.2	D348 D386	D348-N409 PolarHBondContact OD2-ND2 3.01Å; D386-N409 PolarHBondContact OD2-N 2.87Å
410	C	93.8	Very high	95.3	Very high	16 Å²	16	46.3 Å²	46.3	11%	0.108	25%	0.251	C	S	.	.			trans	-86.1	158.1	-172.2	-51.3	0	0	0	0	113.5	C346 I383 D386 T408 E414	C346-C410 HydrophobicContact CB-CB 3.67Å; C346-C410 WeakPolarHBondContact CB-SG 3.25Å; C346-C410 WeakPolarHBondContact SG-CB 3.39Å; C346-C410 CovalentContact SG-SG 2.02Å; C346-C410 PolarHBondContact SG-SG 3.32Å; I383-C410 HydrophobicContact CD1-CB 4.2Å; I383-C410 WeakPolarHBondContact CD1-O 3.37Å; D386-C410 PolarHBondContact OD2-SG 3.49Å; D386-C410 VanDerWaalsContact OD2-SG 3.39Å; T408-C410 VanDerWaalsContact OG1-CB 3.3Å; T408-C410 WeakPolarHBondContact OG1-CB 3.42Å; T408-C410 PolarHBondContact OG1-N 3.49Å; T408-C410 PolarHBondContact OG1-SG 3.14Å; T408-C410 VanDerWaalsContact OG1-SG 3.41Å; C410-E414 WeakPolarHBondContact CA-OE2 3.4Å; C410-E414 HydrophobicContact CB-CB 4.13Å
411	G	90.9	Very high	95.2	Very high	30 Å²	30	47.5 Å²	47.5	31%	0.309	26%	0.262	S	S	.	.			trans	-104.2	170.6	161.3	0	0	0	0	0	111.8	V413 E414	G411-V413 PolarHBondContact O-N 2.8Å; G411-E414 PolarHBondContact N-OE2 3.39Å; G411-E414 PolarHBondContact O-N 3.37Å
412	H	96.6	Very high	94.7	Very high	36 Å²	36	47.3 Å²	47.3	17%	0.167	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-63	-10.5	176.6	-71.7	-55	0	0	0	114.5	T344 Q378 G379 T380 G381 E414 D415	T344-H412 PolarHBondContact OG1-CE1 3.47Å; T344-H412 PolarHBondContact OG1-ND1 3.42Å; Q378-H412 HydrophobicContact CB-CB 3.95Å; Q378-H412 HydrophobicContact CG-CB 4.49Å; Q378-H412 WeakPolarHBondContact CG-O 3.46Å; G379-H412 PolarHBondContact O-CD2 3.43Å; T380-H412 VanDerWaalsContact C-NE2 3.35Å; T380-H412 WeakPolarHBondContact CA-NE2 3.24Å; G381-H412 PolarHBondContact N-NE2 3.33Å; G381-H412 VanDerWaalsContact N-NE2 3.19Å; H412-E414 PolarHBondContact O-N 3.17Å; H412-D415 WeakPolarHBondContact CB-OD2 3.15Å; H412-D415 IonicContact CG-OD1 2.57Å; H412-D415 IonicContact CG-OD2 3.32Å; H412-D415 IonicContact ND1-OD1 2.65Å; H412-D415 PolarHBondContact ND1-OD1 2.86Å; H412-D415 IonicContact ND1-OD2 2.67Å; H412-D415 PolarHBondContact ND1-OD2 3.33Å; H412-D415 PolarHBondContact O-N 3Å
413	V	94.9	Very high	94.6	Very high	77 Å²	77	47.6 Å²	47.6	47%	0.467	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-60	-25.5	166.4	-72.3	0	0	0	0	112.7	T373 G374 Q378 G411	T373-V413 CarbonylContact C-O 3.58Å; T373-V413 WeakPolarHBondContact CA-O 3.25Å; G374-V413 PolarHBondContact N-O 2.93Å; G374-V413 VanDerWaalsContact N-O 3.17Å; Q378-V413 VanDerWaalsContact NE2-CG1 3.34Å; G411-V413 PolarHBondContact O-N 2.8Å
414	E	96.9	Very high	94.7	Very high	62 Å²	62	47.7 Å²	47.7	29%	0.29	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-104.2	19.6	-179.4	-66.9	140	143.9	0	0	111.8	C346 D347 C410 G411 H412 A416	C346-E414 CarbonylContact C-O 3.6Å; C346-E414 WeakPolarHBondContact CA-O 3.4Å; D347-E414 WeakPolarHBondContact CB-O 3.47Å; D347-E414 VanDerWaalsContact CG-O 3.3Å; D347-E414 PolarHBondContact N-O 2.74Å; D347-E414 VanDerWaalsContact OD2-CA 3.31Å; D347-E414 WeakPolarHBondContact OD2-CA 3.34Å; C410-E414 WeakPolarHBondContact CA-OE2 3.4Å; C410-E414 HydrophobicContact CB-CB 4.13Å; G411-E414 PolarHBondContact N-OE2 3.39Å; G411-E414 PolarHBondContact O-N 3.37Å; H412-E414 PolarHBondContact O-N 3.17Å; E414-A416 PolarHBondContact O-N 3.07Å
415	D	97.4	Very high	94.8	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-65.9	124.4	178	-76.4	-28.1	0	0	0	111.6	R333 T344 G374 G379 H412	R333-D415 HydrophobicContact CG-CB 4.11Å; T344-D415 WeakPolarHBondContact CB-OD1 3.18Å; T344-D415 PolarHBondContact OG1-OD1 2.86Å; G374-D415 WeakPolarHBondContact CA-O 3.45Å; G374-D415 PolarHBondContact N-O 3.46Å; G379-D415 WeakPolarHBondContact CA-OD2 3.3Å; G379-D415 PolarHBondContact N-OD2 2.67Å; H412-D415 WeakPolarHBondContact CB-OD2 3.15Å; H412-D415 IonicContact CG-OD1 2.57Å; H412-D415 IonicContact CG-OD2 3.32Å; H412-D415 IonicContact ND1-OD1 2.65Å; H412-D415 PolarHBondContact ND1-OD1 2.86Å; H412-D415 IonicContact ND1-OD2 2.67Å; H412-D415 PolarHBondContact ND1-OD2 3.33Å; H412-D415 PolarHBondContact O-N 3Å
416	A	98.3	Very high	94.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.268	C	S	.	.			trans	-72.1	147.9	-178.8	0	0	0	0	0	113.4	R333 V334 V345 D347 W350 E414	R333-A416 WeakPolarHBondContact CA-O 3.35Å; V334-A416 PolarHBondContact N-O 3.08Å; V345-A416 HydrophobicContact CB-CB 4.36Å; V345-A416 HydrophobicContact CG1-CB 4.44Å; V345-A416 WeakPolarHBondContact O-CB 3.37Å; V345-A416 PolarHBondContact O-N 2.99Å; D347-A416 HydrophobicContact CB-CB 4.1Å; W350-A416 HydrophobicContact CD2-CB 3.81Å; W350-A416 HydrophobicContact CE3-CB 4.36Å; W350-A416 HydrophobicContact CG-CB 3.91Å; W350-A416 HydrophobicContact CZ2-CB 4.43Å; E414-A416 PolarHBondContact O-N 3.07Å
417	G	98.1	Very high	94.9	Very high	2 Å²	2	47.1 Å²	47.1	2%	0.021	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	168.6	175.3	0	0	0	0	0	113.2	G332 W350 H371	G332-G417 CarbonylContact O-C 3.51Å; G332-G417 WeakPolarHBondContact O-CA 3.19Å; W350-G417 PolarHBondContact NE1-O 3.26Å; H371-G417 PolarHBondContact N-O 3.24Å; H371-G417 PolarHBondContact O-N 3.38Å
418	V	98.2	Very high	95	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	154	176.3	-59.7	0	0	0	0	111.4	L323 E331 G332 V334 W350 V358 V370	L323-V418 HydrophobicContact CD1-CG2 3.98Å; L323-V418 HydrophobicContact CD2-CG2 3.49Å; L323-V418 VanDerWaalsContact CD2-CG2 3.49Å; L323-V418 HydrophobicContact CG-CG2 4.41Å; E331-V418 CarbonylContact C-O 3.54Å; E331-V418 VanDerWaalsContact CA-O 3.22Å; E331-V418 WeakPolarHBondContact CA-O 3.37Å; E331-V418 WeakPolarHBondContact CB-O 3.45Å; G332-V418 PolarHBondContact N-O 3.2Å; G332-V418 PolarHBondContact O-N 3.4Å; V334-V418 HydrophobicContact CG2-CB 4.48Å; V334-V418 HydrophobicContact CG2-CG1 3.83Å; V334-V418 HydrophobicContact CG2-CG2 4.01Å; W350-V418 HydrophobicContact CZ2-CG1 3.78Å; V358-V418 HydrophobicContact CG1-CG2 4.21Å; V370-V418 HydrophobicContact CG1-CG1 4.22Å
419	T	98.1	Very high	95.1	Very high	16 Å²	16	40 Å²	40	10%	0.098	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	117.7	161.7	-61.1	0	0	0	0	107.4	E331 L368 E369 H371	E331-T419 HydrophobicContact CB-CG2 4.17Å; E331-T419 PolarHBondContact OE2-OG1 3.27Å; L368-T419 WeakPolarHBondContact CA-O 3.39Å; L368-T419 WeakPolarHBondContact CB-O 3.39Å; L368-T419 HydrophobicContact CD2-CG2 4.47Å; L368-T419 PolarHBondContact N-O 3.21Å; E369-T419 PolarHBondContact N-O 3.36Å; E369-T419 VanDerWaalsContact N-O 3.15Å; E369-T419 PolarHBondContact O-N 3.07Å; H371-T419 PolarHBondContact NE2-OG1 3.04Å
420	C	97.8	Very high	95.4	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.02	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	147.9	-175.2	-57.8	0	0	0	0	112.5	H330 C359 Y364 G366	H330-C420 HydrophobicContact CB-CB 4.38Å; H330-C420 WeakPolarHBondContact O-CB 3.36Å; H330-C420 PolarHBondContact O-N 3.24Å; C359-C420 WeakPolarHBondContact CA-SG 3.23Å; C359-C420 HydrophobicContact CB-CB 3.72Å; C359-C420 WeakPolarHBondContact CB-SG 3.31Å; C359-C420 WeakPolarHBondContact SG-CA 3.26Å; C359-C420 WeakPolarHBondContact SG-CB 3.4Å; C359-C420 CovalentContact SG-SG 2.04Å; C359-C420 PolarHBondContact SG-SG 3.42Å; Y364-C420 HydrophobicContact CD1-CB 4.42Å; Y364-C420 HydrophobicContact CD2-CB 3.64Å; Y364-C420 HydrophobicContact CE2-CB 4.35Å; Y364-C420 HydrophobicContact CG-CB 3.69Å; G366-C420 CarbonylContact O-C 3.57Å; G366-C420 WeakPolarHBondContact O-CA 3.23Å
421	A	94.1	Very high	95.5	Very high	32 Å²	32	35 Å²	35	26%	0.264	20%	0.203	S	C	.	.			trans	-79.6	118.1	172.1	0	0	0	0	0	111.1	R365 G366	R365-A421 PolarHBondContact N-O 3.29Å; G366-A421 PolarHBondContact O-N 2.93Å
422	M	85.1	Confident	96	Very high	161 Å²	161	35.5 Å²	35.5	79%	0.793	19%	0.193	S	C	*	.			trans	-59.9	0	173.9	-66.9	-173.6	-79.4	0	0	113	H330 R365	H330-M422 HydrophobicContact CB-CG 4.43Å; R365-M422 PolarHBondContact NE-O 3.19Å; R365-M422 PolarHBondContact NH2-O 3.28Å

Retrieved 422 of 422 residues in 98.7 ms (Link to these results)

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