A0A5K4EFB2_SCHMA Loading...

START domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EFB2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 588 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.4	Very low	33.2	Very low	222 Å²	222	119.6 Å²	119.6	100%	1.094	65%	0.654	S	S	*	*				0	-38.2	0	-79.3	-67.6	-150.3	0	0	114.3	V3	M1-V3 PolarHBondContact O-N 3.22Å
2	G	33	Very low	33.7	Very low	60 Å²	60	119.8 Å²	119.8	62%	0.619	65%	0.651	S	S	*	*	H	α-helix	trans	-66	-36.4	-174.4	0	0	0	0	0	116.7	L4 K5	G2-L4 VanDerWaalsContact C-N 3.32Å; G2-L4 PolarHBondContact O-N 3.43Å; G2-K5 PolarHBondContact O-N 3.16Å
3	V	31.1	Very low	33.8	Very low	120 Å²	120	113.4 Å²	113.4	73%	0.727	62%	0.621	S	S	*	*	H	α-helix	trans	-66.2	-32.5	-175.4	-177.5	0	0	0	0	112.6	M1 K5 H6 V7	M1-V3 PolarHBondContact O-N 3.22Å; V3-K5 VanDerWaalsContact C-N 3.26Å; V3-K5 PolarHBondContact O-N 3.11Å; V3-H6 PolarHBondContact O-N 2.96Å; V3-V7 HydrophobicContact CG1-CG2 4.49Å; V3-V7 WeakPolarHBondContact O-CG2 3.28Å; V3-V7 PolarHBondContact O-N 2.91Å
4	L	27.1	Very low	34.6	Very low	128 Å²	128	111.2 Å²	111.2	67%	0.67	61%	0.613	S	S	*	*	H	α-helix	trans	-66.6	-30.3	179.8	-158.7	74.4	0	0	0	112.1	G2	G2-L4 VanDerWaalsContact C-N 3.32Å; G2-L4 PolarHBondContact O-N 3.43Å
5	K	28.1	Very low	35.1	Very low	157 Å²	157	112.8 Å²	112.8	68%	0.683	61%	0.614	S	S	*	*	H	α-helix	trans	-75	-35.2	-178.5	-135.4	177.6	-175.5	-178.9	0	112.3	G2 V3 Q9	G2-K5 PolarHBondContact O-N 3.16Å; V3-K5 VanDerWaalsContact C-N 3.26Å; V3-K5 PolarHBondContact O-N 3.11Å; K5-Q9 PolarHBondContact O-N 3.15Å
6	H	30.2	Very low	35.4	Very low	144 Å²	144	113.4 Å²	113.4	67%	0.667	62%	0.616	S	S	*	*	H	α-helix	trans	-76.6	-32.1	177.9	-86	-8.9	0	0	0	113.8	V3 L8 Q9 S10	V3-H6 PolarHBondContact O-N 2.96Å; H6-L8 PolarHBondContact O-N 2.67Å; H6-Q9 PolarHBondContact O-N 3.47Å; H6-S10 PolarHBondContact O-N 3.43Å
7	V	31.5	Very low	35.7	Very low	92 Å²	92	114.1 Å²	114.1	56%	0.558	61%	0.613	S	S	*	*	H	α-helix	trans	-68.7	-37.3	179.4	176.9	0	0	0	0	111.7	V3 Q9 S10 S13	V3-V7 HydrophobicContact CG1-CG2 4.49Å; V3-V7 WeakPolarHBondContact O-CG2 3.28Å; V3-V7 PolarHBondContact O-N 2.91Å; V7-Q9 VanDerWaalsContact C-N 3.25Å; V7-Q9 PolarHBondContact O-N 3.34Å; V7-S10 PolarHBondContact O-N 3.32Å; V7-S10 PolarHBondContact O-OG 3.18Å; V7-S13 PolarHBondContact O-OG 3.38Å
8	L	31	Very low	36.2	Very low	125 Å²	125	111.6 Å²	111.6	65%	0.654	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-13.1	174.9	-71	172.4	0	0	0	114	H6 S13	H6-L8 PolarHBondContact O-N 2.67Å; L8-S13 PolarHBondContact O-OG 3.19Å
9	Q	34.9	Very low	36.5	Very low	129 Å²	129	111.6 Å²	111.6	60%	0.603	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	1.2	173.6	-78.4	-176.2	-31.3	0	0	113	K5 H6 V7	K5-Q9 PolarHBondContact O-N 3.15Å; H6-Q9 PolarHBondContact O-N 3.47Å; V7-Q9 VanDerWaalsContact C-N 3.25Å; V7-Q9 PolarHBondContact O-N 3.34Å
10	S	39.9	Very low	36.9	Very low	42 Å²	42	109.1 Å²	109.1	29%	0.294	60%	0.6	S	S	.	*			trans	-61.1	131.8	175	72.8	0	0	0	0	109.2	H6 V7 I12 S13 V14	H6-S10 PolarHBondContact O-N 3.43Å; V7-S10 PolarHBondContact O-N 3.32Å; V7-S10 PolarHBondContact O-OG 3.18Å; S10-I12 PolarHBondContact O-N 2.78Å; S10-S13 PolarHBondContact O-N 3.38Å; S10-S13 PolarHBondContact O-OG 2.71Å; S10-S13 WeakPolarHBondContact OG-CB 3.25Å; S10-S13 PolarHBondContact OG-N 3.18Å; S10-S13 PolarHBondContact OG-OG 3.35Å; S10-V14 PolarHBondContact O-N 3.15Å
11	P	42.8	Very low	37.2	Very low	97 Å²	97	108.7 Å²	108.7	63%	0.63	60%	0.597	S	S	*	*	H	α-helix	trans	-53.5	-32.8	-178.2	-27.9	35.1	0	0	0	112.6	V14 Q15	P11-V14 PolarHBondContact O-N 3.26Å; P11-Q15 WeakPolarHBondContact O-CB 3.33Å; P11-Q15 WeakPolarHBondContact O-CG 3.38Å; P11-Q15 PolarHBondContact O-N 3.06Å
12	I	38.8	Very low	37.8	Very low	121 Å²	121	102.5 Å²	102.5	62%	0.621	57%	0.568	S	S	*	*	H	α-helix	trans	-65.7	-42.3	178.2	-58.5	171.5	0	0	0	111.1	S10 Q15 L16	S10-I12 PolarHBondContact O-N 2.78Å; I12-Q15 PolarHBondContact O-N 3.44Å; I12-L16 PolarHBondContact O-N 3.13Å
13	S	35.5	Very low	38.2	Very low	37 Å²	37	104.4 Å²	104.4	26%	0.259	56%	0.56	S	S	.	*	H	α-helix	trans	-68.7	-37.9	178.2	65.6	0	0	0	0	112.7	V7 L8 S10 L16 H17	V7-S13 PolarHBondContact O-OG 3.38Å; L8-S13 PolarHBondContact O-OG 3.19Å; S10-S13 PolarHBondContact O-N 3.38Å; S10-S13 PolarHBondContact O-OG 2.71Å; S10-S13 WeakPolarHBondContact OG-CB 3.25Å; S10-S13 PolarHBondContact OG-N 3.18Å; S10-S13 PolarHBondContact OG-OG 3.35Å; S13-L16 PolarHBondContact O-N 3.48Å; S13-H17 WeakPolarHBondContact O-CB 3.26Å; S13-H17 PolarHBondContact O-N 3.43Å
14	V	44.9	Very low	38.7	Very low	83 Å²	83	102 Å²	102	50%	0.503	55%	0.548	S	S	.	.	H	α-helix	trans	-67.3	-41.1	174.9	179.4	0	0	0	0	110.5	S10 P11 H17 S18	S10-V14 PolarHBondContact O-N 3.15Å; P11-V14 PolarHBondContact O-N 3.26Å; V14-H17 PolarHBondContact O-N 3.22Å; V14-S18 VanDerWaalsContact O-CB 3.3Å; V14-S18 WeakPolarHBondContact O-CB 3.37Å; V14-S18 PolarHBondContact O-N 3.21Å
15	Q	41.8	Very low	39.5	Very low	135 Å²	135	98.3 Å²	98.3	63%	0.631	53%	0.533	S	S	*	.	H	α-helix	trans	-61.7	-44.5	173	-81.6	178.9	-19.2	0	0	111.6	P11 I12 H17 S18 L19	P11-Q15 WeakPolarHBondContact O-CB 3.33Å; P11-Q15 WeakPolarHBondContact O-CG 3.38Å; P11-Q15 PolarHBondContact O-N 3.06Å; I12-Q15 PolarHBondContact O-N 3.44Å; Q15-H17 PolarHBondContact O-N 3.23Å; Q15-S18 PolarHBondContact O-N 3.09Å; Q15-L19 WeakPolarHBondContact O-CB 3.38Å; Q15-L19 PolarHBondContact O-N 3.17Å
16	L	40.1	Very low	40.2	Very low	122 Å²	122	96.4 Å²	96.4	64%	0.639	53%	0.526	S	S	*	.	H	α-helix	trans	-64.5	-40.8	179.4	-133.5	93.8	0	0	0	112.1	I12 S13 L19 A20	I12-L16 PolarHBondContact O-N 3.13Å; S13-L16 PolarHBondContact O-N 3.48Å; L16-L19 PolarHBondContact O-N 2.88Å; L16-A20 WeakPolarHBondContact O-CB 3.12Å; L16-A20 PolarHBondContact O-N 3.43Å
17	H	40.6	Very low	40.6	Very low	125 Å²	125	92.6 Å²	92.6	58%	0.579	51%	0.51	S	S	*	.	H	α-helix	trans	-67.6	-42.6	177.3	-173.6	-88.8	0	0	0	111.9	S13 V14 Q15 L19 A20 L21	S13-H17 WeakPolarHBondContact O-CB 3.26Å; S13-H17 PolarHBondContact O-N 3.43Å; V14-H17 PolarHBondContact O-N 3.22Å; Q15-H17 PolarHBondContact O-N 3.23Å; H17-L19 VanDerWaalsContact C-N 3.33Å; H17-A20 PolarHBondContact O-N 2.92Å; H17-L21 WeakPolarHBondContact CE1-CD1 3.28Å; H17-L21 WeakPolarHBondContact O-CG 3.44Å; H17-L21 PolarHBondContact O-N 3.47Å
18	S	45.1	Very low	41.1	Very low	69 Å²	69	95 Å²	95	48%	0.483	52%	0.515	S	S	.	.	H	α-helix	trans	-61.6	-42.7	173.4	179.9	0	0	0	0	111.4	V14 Q15 L21 N22	V14-S18 VanDerWaalsContact O-CB 3.3Å; V14-S18 WeakPolarHBondContact O-CB 3.37Å; V14-S18 PolarHBondContact O-N 3.21Å; Q15-S18 PolarHBondContact O-N 3.09Å; S18-L21 PolarHBondContact O-N 3.42Å; S18-N22 VanDerWaalsContact O-CB 3.25Å; S18-N22 WeakPolarHBondContact O-CB 3.35Å; S18-N22 PolarHBondContact O-N 3.32Å
19	L	42.3	Very low	41.7	Very low	113 Å²	113	96.7 Å²	96.7	59%	0.592	52%	0.517	S	S	*	.	H	α-helix	trans	-66.9	-40.2	179.1	-153.9	145.8	0	0	0	110.9	Q15 L16 H17 N22 F23	Q15-L19 WeakPolarHBondContact O-CB 3.38Å; Q15-L19 PolarHBondContact O-N 3.17Å; L16-L19 PolarHBondContact O-N 2.88Å; H17-L19 VanDerWaalsContact C-N 3.33Å; L19-N22 PolarHBondContact O-N 3.19Å; L19-F23 HydrophobicContact CD2-CD2 4.33Å; L19-F23 WeakPolarHBondContact O-CB 3.12Å; L19-F23 PolarHBondContact O-N 3.18Å
20	A	43.1	Very low	41.9	Very low	60 Å²	60	91.9 Å²	91.9	50%	0.496	50%	0.5	S	S	.	.	H	α-helix	trans	-64.1	-43.1	173.8	0	0	0	0	0	112.7	L16 H17 F23 S24	L16-A20 WeakPolarHBondContact O-CB 3.12Å; L16-A20 PolarHBondContact O-N 3.43Å; H17-A20 PolarHBondContact O-N 2.92Å; A20-F23 PolarHBondContact O-N 3.35Å; A20-S24 WeakPolarHBondContact O-CB 3.23Å; A20-S24 PolarHBondContact O-N 3.34Å
21	L	44.9	Very low	41.7	Very low	102 Å²	102	93.7 Å²	93.7	53%	0.534	51%	0.512	S	S	.	.	H	α-helix	trans	-66	-41.8	175.7	-79	176	0	0	0	112.2	H17 S18 F23 S24 S25	H17-L21 WeakPolarHBondContact CE1-CD1 3.28Å; H17-L21 WeakPolarHBondContact O-CG 3.44Å; H17-L21 PolarHBondContact O-N 3.47Å; S18-L21 PolarHBondContact O-N 3.42Å; L21-F23 VanDerWaalsContact C-N 3.35Å; L21-S24 PolarHBondContact O-N 2.95Å; L21-S25 WeakPolarHBondContact O-CB 3.22Å; L21-S25 PolarHBondContact O-N 3.1Å
22	N	46.8	Very low	41.8	Very low	92 Å²	92	94.1 Å²	94.1	49%	0.492	52%	0.515	S	S	.	.	H	α-helix	trans	-66.4	-40.2	178	-159.2	-13.4	0	0	0	110.6	S18 L19 S25 Q26	S18-N22 VanDerWaalsContact O-CB 3.25Å; S18-N22 WeakPolarHBondContact O-CB 3.35Å; S18-N22 PolarHBondContact O-N 3.32Å; L19-N22 PolarHBondContact O-N 3.19Å; N22-S25 PolarHBondContact O-N 2.88Å; N22-Q26 WeakPolarHBondContact O-CB 3.45Å; N22-Q26 WeakPolarHBondContact O-CG 3.21Å; N22-Q26 PolarHBondContact O-N 2.71Å
23	F	41.9	Very low	42.1	Very low	100 Å²	100	94.9 Å²	94.9	44%	0.439	52%	0.516	S	S	.	.	H	α-helix	trans	-64.1	-44.1	173	-127	-90.3	0	0	0	112	L19 A20 L21 S25 Q26 I27	L19-F23 HydrophobicContact CD2-CD2 4.33Å; L19-F23 WeakPolarHBondContact O-CB 3.12Å; L19-F23 PolarHBondContact O-N 3.18Å; A20-F23 PolarHBondContact O-N 3.35Å; L21-F23 VanDerWaalsContact C-N 3.35Å; F23-S25 VanDerWaalsContact C-N 3.34Å; F23-S25 PolarHBondContact O-N 3.08Å; F23-Q26 PolarHBondContact O-N 3.39Å; F23-I27 HydrophobicContact CD1-CD1 3.99Å; F23-I27 HydrophobicContact CD1-CG1 4.34Å; F23-I27 VanDerWaalsContact O-CG1 3.26Å; F23-I27 WeakPolarHBondContact O-CG1 3.28Å; F23-I27 PolarHBondContact O-N 2.74Å
24	S	41.9	Very low	42.4	Very low	68 Å²	68	99 Å²	99	48%	0.476	54%	0.542	S	S	.	.	H	α-helix	trans	-59.4	-45.1	176.1	-167.6	0	0	0	0	111.2	A20 L21 Q26 I27 E28	A20-S24 WeakPolarHBondContact O-CB 3.23Å; A20-S24 PolarHBondContact O-N 3.34Å; L21-S24 PolarHBondContact O-N 2.95Å; S24-Q26 PolarHBondContact O-N 3.03Å; S24-I27 PolarHBondContact O-N 2.87Å; S24-E28 WeakPolarHBondContact O-CB 3.49Å; S24-E28 PolarHBondContact O-N 3.21Å
25	S	43.6	Very low	42.3	Very low	51 Å²	51	100.2 Å²	100.2	36%	0.357	55%	0.546	S	S	.	.	H	α-helix	trans	-65.4	-36.7	177.3	-176.5	0	0	0	0	112.5	L21 N22 F23 E28 K29	L21-S25 WeakPolarHBondContact O-CB 3.22Å; L21-S25 PolarHBondContact O-N 3.1Å; N22-S25 PolarHBondContact O-N 2.88Å; F23-S25 VanDerWaalsContact C-N 3.34Å; F23-S25 PolarHBondContact O-N 3.08Å; S25-E28 PolarHBondContact O-N 3.16Å; S25-K29 PolarHBondContact O-N 3.27Å
26	Q	42.2	Very low	42.7	Very low	118 Å²	118	97.2 Å²	97.2	55%	0.551	54%	0.54	S	S	*	.	H	α-helix	trans	-69.2	-38.5	174.6	-76.4	-166.8	53.3	0	0	112.4	N22 F23 S24 K29 A30	N22-Q26 WeakPolarHBondContact O-CB 3.45Å; N22-Q26 WeakPolarHBondContact O-CG 3.21Å; N22-Q26 PolarHBondContact O-N 2.71Å; F23-Q26 PolarHBondContact O-N 3.39Å; S24-Q26 PolarHBondContact O-N 3.03Å; Q26-K29 PolarHBondContact O-N 2.72Å; Q26-A30 WeakPolarHBondContact O-CB 3.45Å; Q26-A30 PolarHBondContact O-N 3.43Å
27	I	39.4	Very low	42.8	Very low	63 Å²	63	95.9 Å²	95.9	32%	0.323	54%	0.537	S	S	.	.	H	α-helix	trans	-61	-47	172.2	-69.8	165.4	0	0	0	109.6	F23 S24 K29 A30 C31	F23-I27 HydrophobicContact CD1-CD1 3.99Å; F23-I27 HydrophobicContact CD1-CG1 4.34Å; F23-I27 VanDerWaalsContact O-CG1 3.26Å; F23-I27 WeakPolarHBondContact O-CG1 3.28Å; F23-I27 PolarHBondContact O-N 2.74Å; S24-I27 PolarHBondContact O-N 2.87Å; I27-K29 PolarHBondContact O-N 2.84Å; I27-A30 PolarHBondContact O-N 3.2Å; I27-A30 VanDerWaalsContact O-N 3.14Å; I27-C31 WeakPolarHBondContact O-CB 3.46Å; I27-C31 PolarHBondContact O-N 3.02Å; I27-C31 PolarHBondContact O-SG 2.74Å
28	E	40.9	Very low	42.8	Very low	142 Å²	142	94.9 Å²	94.9	66%	0.664	53%	0.531	S	S	*	.	H	α-helix	trans	-61.5	-43.3	-179.6	-138.6	174.9	-165.2	0	0	112	S24 S25 A30	S24-E28 WeakPolarHBondContact O-CB 3.49Å; S24-E28 PolarHBondContact O-N 3.21Å; S25-E28 PolarHBondContact O-N 3.16Å; E28-A30 VanDerWaalsContact C-N 3.35Å; E28-A30 PolarHBondContact O-N 3.24Å
29	K	43.6	Very low	42.5	Very low	161 Å²	161	96.2 Å²	96.2	70%	0.7	53%	0.532	S	S	*	.	H	α-helix	trans	-65.6	-35.9	174.2	-81.9	-179.3	175.9	176.1	0	113	S25 Q26 I27	S25-K29 PolarHBondContact O-N 3.27Å; Q26-K29 PolarHBondContact O-N 2.72Å; I27-K29 PolarHBondContact O-N 2.84Å
30	A	40	Very low	42.4	Very low	28 Å²	28	99.8 Å²	99.8	23%	0.231	54%	0.538	C	S	.	.	H	α-helix	trans	-80.3	-32	-177	0	0	0	0	0	113.1	Q26 I27 E28 C32 Q33 F38	Q26-A30 WeakPolarHBondContact O-CB 3.45Å; Q26-A30 PolarHBondContact O-N 3.43Å; I27-A30 PolarHBondContact O-N 3.2Å; I27-A30 VanDerWaalsContact O-N 3.14Å; E28-A30 VanDerWaalsContact C-N 3.35Å; E28-A30 PolarHBondContact O-N 3.24Å; A30-C32 PolarHBondContact O-N 3.35Å; A30-C32 VanDerWaalsContact O-N 3.15Å; A30-Q33 PolarHBondContact O-N 3.37Å; A30-F38 HydrophobicContact CB-CE1 4.15Å
31	C	36.4	Very low	42.2	Very low	81 Å²	81	103 Å²	103	55%	0.547	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-16.5	174.3	-75.9	0	0	0	0	113.2	I27 Q33	I27-C31 WeakPolarHBondContact O-CB 3.46Å; I27-C31 PolarHBondContact O-N 3.02Å; I27-C31 PolarHBondContact O-SG 2.74Å; C31-Q33 PolarHBondContact O-N 3.25Å
32	C	43.5	Very low	41.8	Very low	105 Å²	105	100.1 Å²	100.1	71%	0.709	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	2.6	172.6	-65.5	0	0	0	0	114.1	A30	A30-C32 PolarHBondContact O-N 3.35Å; A30-C32 VanDerWaalsContact O-N 3.15Å
33	Q	45	Very low	41.4	Very low	137 Å²	137	98 Å²	98	64%	0.64	52%	0.518	S	S	*	.	S	Bend	trans	-107.3	131	177	-72.5	-76.8	-33.1	0	0	111	A30 C31 D35	A30-Q33 PolarHBondContact O-N 3.37Å; C31-Q33 PolarHBondContact O-N 3.25Å; Q33-D35 VanDerWaalsContact C-N 3.27Å; Q33-D35 PolarHBondContact O-N 2.91Å; Q33-D35 VanDerWaalsContact O-N 3.12Å
34	P	41.6	Very low	41.3	Very low	123 Å²	123	96.4 Å²	96.4	80%	0.799	52%	0.519	S	S	*	.			trans	-83.8	15.3	-164	-6.9	26.5	0	0	0	115.3
35	D	43.3	Very low	41	Very low	109 Å²	109	95.9 Å²	95.9	58%	0.583	51%	0.513	S	S	*	.			trans	-91.2	120.6	-166.6	-133	-15.1	0	0	0	113.7	Q33 T37 F38 L39	Q33-D35 VanDerWaalsContact C-N 3.27Å; Q33-D35 PolarHBondContact O-N 2.91Å; Q33-D35 VanDerWaalsContact O-N 3.12Å; D35-T37 PolarHBondContact O-N 2.62Å; D35-F38 PolarHBondContact O-N 3.22Å; D35-L39 PolarHBondContact O-N 2.84Å
36	S	49.8	Very low	40.9	Very low	72 Å²	72	97.7 Å²	97.7	50%	0.503	52%	0.516	S	S	.	.	H	α-helix	trans	-73.9	-26.4	-164.3	70	0	0	0	0	114.9	R40	S36-R40 PolarHBondContact O-N 3.09Å
37	T	41.9	Very low	40.8	Very low	94 Å²	94	100.6 Å²	100.6	58%	0.577	52%	0.522	S	S	*	.	H	α-helix	trans	-74.2	-37.5	178.8	49.1	0	0	0	0	111.3	D35 R40 F41	D35-T37 PolarHBondContact O-N 2.62Å; T37-R40 PolarHBondContact O-N 2.94Å; T37-F41 PolarHBondContact O-N 3.13Å
38	F	40.5	Very low	40.7	Very low	104 Å²	104	101 Å²	101	46%	0.456	53%	0.528	S	S	.	.	H	α-helix	trans	-69.7	-35.5	176.4	-168.2	-108.6	0	0	0	112.1	A30 D35 R40 F41 L42	A30-F38 HydrophobicContact CB-CE1 4.15Å; D35-F38 PolarHBondContact O-N 3.22Å; F38-R40 PolarHBondContact O-N 3.35Å; F38-F41 HydrophobicContact CD2-CD1 4.49Å; F38-F41 HydrophobicContact CE2-CD1 4.3Å; F38-F41 PolarHBondContact O-N 3.49Å; F38-L42 HydrophobicContact CD1-CD1 3.63Å; F38-L42 HydrophobicContact CD1-CG 4.2Å; F38-L42 HydrophobicContact CE1-CD1 3.39Å; F38-L42 HydrophobicContact CE1-CG 3.88Å; F38-L42 HydrophobicContact CZ-CD1 4.21Å; F38-L42 HydrophobicContact CZ-CG 4.24Å; F38-L42 WeakPolarHBondContact O-CB 3.28Å; F38-L42 PolarHBondContact O-N 3.4Å
39	L	39.2	Very low	40.5	Very low	97 Å²	97	97.9 Å²	97.9	51%	0.508	52%	0.515	S	S	.	.	H	α-helix	trans	-61.6	-40.1	171.6	-106.5	152	0	0	0	112.6	D35 S43	D35-L39 PolarHBondContact O-N 2.84Å; L39-S43 WeakPolarHBondContact O-CB 3.28Å; L39-S43 PolarHBondContact O-N 2.9Å
40	R	41.1	Very low	40.3	Very low	188 Å²	188	92.7 Å²	92.7	71%	0.709	50%	0.495	S	S	*	.	H	α-helix	trans	-66.8	-41.1	172.9	-76	-171.5	-167.1	132.6	3.4	112.2	S36 T37 F38 S43 S44	S36-R40 PolarHBondContact O-N 3.09Å; T37-R40 PolarHBondContact O-N 2.94Å; F38-R40 PolarHBondContact O-N 3.35Å; R40-S43 PolarHBondContact O-N 2.9Å; R40-S44 WeakPolarHBondContact O-CB 3.3Å; R40-S44 PolarHBondContact O-N 2.86Å
41	F	37.9	Very low	40.2	Very low	127 Å²	127	93 Å²	93	56%	0.557	50%	0.498	S	S	*	.	H	α-helix	trans	-59.5	-53.1	174.1	179.1	-101.7	0	0	0	110.3	T37 F38 S43 S44 T45	T37-F41 PolarHBondContact O-N 3.13Å; F38-F41 HydrophobicContact CD2-CD1 4.49Å; F38-F41 HydrophobicContact CE2-CD1 4.3Å; F38-F41 PolarHBondContact O-N 3.49Å; F41-S43 VanDerWaalsContact C-N 3.34Å; F41-S43 PolarHBondContact O-N 3.45Å; F41-S44 CarbonylContact O-C 3.58Å; F41-S44 WeakPolarHBondContact O-CA 3.4Å; F41-S44 WeakPolarHBondContact O-CB 3.41Å; F41-S44 PolarHBondContact O-N 3.27Å; F41-T45 PolarHBondContact O-N 3.11Å; F41-T45 PolarHBondContact O-OG1 3.36Å
42	L	36.3	Very low	40.1	Very low	42 Å²	42	94.6 Å²	94.6	22%	0.22	50%	0.5	C	S	.	.	H	α-helix	trans	-57.1	-42.7	176.6	-83.3	169.8	0	0	0	112.8	F38 S44 T45 H46	F38-L42 HydrophobicContact CD1-CD1 3.63Å; F38-L42 HydrophobicContact CD1-CG 4.2Å; F38-L42 HydrophobicContact CE1-CD1 3.39Å; F38-L42 HydrophobicContact CE1-CG 3.88Å; F38-L42 HydrophobicContact CZ-CD1 4.21Å; F38-L42 HydrophobicContact CZ-CG 4.24Å; F38-L42 WeakPolarHBondContact O-CB 3.28Å; F38-L42 PolarHBondContact O-N 3.4Å; L42-S44 VanDerWaalsContact C-N 3.31Å; L42-S44 PolarHBondContact O-N 2.86Å; L42-T45 PolarHBondContact O-N 2.96Å; L42-H46 WeakPolarHBondContact O-CB 3.38Å; L42-H46 PolarHBondContact O-N 3.32Å
43	S	40	Very low	39.8	Very low	47 Å²	47	93.6 Å²	93.6	33%	0.329	49%	0.488	S	S	.	.	H	α-helix	trans	-65	-36.6	175.8	-177.8	0	0	0	0	111.8	L39 R40 F41 R47	L39-S43 WeakPolarHBondContact O-CB 3.28Å; L39-S43 PolarHBondContact O-N 2.9Å; R40-S43 PolarHBondContact O-N 2.9Å; F41-S43 VanDerWaalsContact C-N 3.34Å; F41-S43 PolarHBondContact O-N 3.45Å; S43-R47 VanDerWaalsContact O-CB 3.27Å; S43-R47 WeakPolarHBondContact O-CB 3.41Å; S43-R47 WeakPolarHBondContact O-CG 3.34Å; S43-R47 PolarHBondContact O-N 3.45Å
44	S	38.3	Very low	39.5	Very low	67 Å²	67	92.5 Å²	92.5	47%	0.469	48%	0.481	S	S	.	.	H	α-helix	trans	-68.9	-47	175.6	-176.1	0	0	0	0	110.9	R40 F41 L42 H46 R47 T48	R40-S44 WeakPolarHBondContact O-CB 3.3Å; R40-S44 PolarHBondContact O-N 2.86Å; F41-S44 CarbonylContact O-C 3.58Å; F41-S44 WeakPolarHBondContact O-CA 3.4Å; F41-S44 WeakPolarHBondContact O-CB 3.41Å; F41-S44 PolarHBondContact O-N 3.27Å; L42-S44 VanDerWaalsContact C-N 3.31Å; L42-S44 PolarHBondContact O-N 2.86Å; S44-H46 VanDerWaalsContact C-N 3.33Å; S44-H46 PolarHBondContact O-N 3.23Å; S44-R47 PolarHBondContact O-N 3.38Å; S44-T48 WeakPolarHBondContact O-CB 3.42Å; S44-T48 PolarHBondContact O-N 2.86Å; S44-T48 PolarHBondContact O-OG1 3.43Å
45	T	36.9	Very low	39.5	Very low	57 Å²	57	92.9 Å²	92.9	35%	0.35	48%	0.476	S	S	.	.	H	α-helix	trans	-66.2	-37.2	179	-34.3	0	0	0	0	111	F41 L42 T48 L49	F41-T45 PolarHBondContact O-N 3.11Å; F41-T45 PolarHBondContact O-OG1 3.36Å; L42-T45 PolarHBondContact O-N 2.96Å; T45-T48 PolarHBondContact O-N 3.21Å; T45-L49 WeakPolarHBondContact O-CA 3.31Å; T45-L49 WeakPolarHBondContact O-CB 3.14Å; T45-L49 PolarHBondContact O-N 2.94Å
46	H	40.9	Very low	39.4	Very low	90 Å²	90	91.3 Å²	91.3	42%	0.417	47%	0.472	S	S	.	.	H	α-helix	trans	-66.5	-44.2	172.3	179.7	-105	0	0	0	111.6	L42 S44 T48 L49 L50	L42-H46 WeakPolarHBondContact O-CB 3.38Å; L42-H46 PolarHBondContact O-N 3.32Å; S44-H46 VanDerWaalsContact C-N 3.33Å; S44-H46 PolarHBondContact O-N 3.23Å; H46-T48 VanDerWaalsContact C-N 3.34Å; H46-T48 PolarHBondContact O-N 2.93Å; H46-L49 PolarHBondContact O-N 3.22Å; H46-L50 WeakPolarHBondContact CE1-CD1 3.42Å; H46-L50 VanDerWaalsContact O-CB 3.25Å; H46-L50 WeakPolarHBondContact O-CB 3.49Å; H46-L50 VanDerWaalsContact O-CG 3.26Å; H46-L50 WeakPolarHBondContact O-CG 3.33Å; H46-L50 PolarHBondContact O-N 2.98Å
47	R	40.5	Very low	38.9	Very low	178 Å²	178	98.1 Å²	98.1	67%	0.672	49%	0.487	S	S	*	.	H	α-helix	trans	-62	-40.9	173.9	-77.8	172.1	-172.5	-175.9	2.3	111.7	S43 S44 A51	S43-R47 VanDerWaalsContact O-CB 3.27Å; S43-R47 WeakPolarHBondContact O-CB 3.41Å; S43-R47 WeakPolarHBondContact O-CG 3.34Å; S43-R47 PolarHBondContact O-N 3.45Å; S44-R47 PolarHBondContact O-N 3.38Å; R47-A51 WeakPolarHBondContact O-CA 3.28Å; R47-A51 WeakPolarHBondContact O-CB 3.42Å; R47-A51 PolarHBondContact O-N 3.36Å
48	T	37	Very low	38.8	Very low	72 Å²	72	100.7 Å²	100.7	44%	0.442	49%	0.492	S	S	.	.	H	α-helix	trans	-71.4	-36.6	177.1	-61.1	0	0	0	0	111.8	S44 T45 H46 A51 N52	S44-T48 WeakPolarHBondContact O-CB 3.42Å; S44-T48 PolarHBondContact O-N 2.86Å; S44-T48 PolarHBondContact O-OG1 3.43Å; T45-T48 PolarHBondContact O-N 3.21Å; H46-T48 VanDerWaalsContact C-N 3.34Å; H46-T48 PolarHBondContact O-N 2.93Å; T48-A51 CarbonylContact O-C 3.58Å; T48-A51 PolarHBondContact O-N 3.08Å; T48-N52 VanDerWaalsContact O-CB 3.27Å; T48-N52 WeakPolarHBondContact O-CB 3.43Å; T48-N52 PolarHBondContact O-N 3.16Å; T48-N52 PolarHBondContact O-ND2 2.85Å
49	L	36.7	Very low	38.9	Very low	76 Å²	76	97 Å²	97	40%	0.398	48%	0.48	S	S	.	.	H	α-helix	trans	-74.1	-39	178	-172.9	133.1	0	0	0	111.2	T45 H46 N52 L53	T45-L49 WeakPolarHBondContact O-CA 3.31Å; T45-L49 WeakPolarHBondContact O-CB 3.14Å; T45-L49 PolarHBondContact O-N 2.94Å; H46-L49 PolarHBondContact O-N 3.22Å; L49-N52 PolarHBondContact O-N 3.22Å; L49-L53 HydrophobicContact CD2-CD1 3.58Å; L49-L53 HydrophobicContact CG-CD1 4.28Å; L49-L53 VanDerWaalsContact O-CB 3.26Å; L49-L53 WeakPolarHBondContact O-CB 3.44Å; L49-L53 PolarHBondContact O-N 3.09Å
50	L	38.9	Very low	38.9	Very low	53 Å²	53	92.8 Å²	92.8	28%	0.277	46%	0.459	S	S	.	.	H	α-helix	trans	-66.6	-43.6	168.1	-72.1	-179.4	0	0	0	110.9	H46 N52 L53 F54	H46-L50 WeakPolarHBondContact CE1-CD1 3.42Å; H46-L50 VanDerWaalsContact O-CB 3.25Å; H46-L50 WeakPolarHBondContact O-CB 3.49Å; H46-L50 VanDerWaalsContact O-CG 3.26Å; H46-L50 WeakPolarHBondContact O-CG 3.33Å; H46-L50 PolarHBondContact O-N 2.98Å; L50-N52 PolarHBondContact O-N 2.83Å; L50-L53 CarbonylContact O-C 3.59Å; L50-L53 PolarHBondContact O-N 2.87Å; L50-F54 HydrophobicContact CB-CD2 4.21Å; L50-F54 HydrophobicContact CD2-CD2 4.12Å; L50-F54 HydrophobicContact CD2-CE2 3.78Å; L50-F54 WeakPolarHBondContact O-CA 2.96Å; L50-F54 WeakPolarHBondContact O-CB 3.44Å; L50-F54 VanDerWaalsContact O-CD2 3.27Å; L50-F54 WeakPolarHBondContact O-CD2 3.26Å; L50-F54 PolarHBondContact O-N 2.87Å
51	A	38	Very low	38.9	Very low	35 Å²	35	87.9 Å²	87.9	29%	0.289	45%	0.45	S	S	.	.	H	α-helix	trans	-57.6	-39.5	171.8	0	0	0	0	0	110	R47 T48 L55	R47-A51 WeakPolarHBondContact O-CA 3.28Å; R47-A51 WeakPolarHBondContact O-CB 3.42Å; R47-A51 PolarHBondContact O-N 3.36Å; T48-A51 CarbonylContact O-C 3.58Å; T48-A51 PolarHBondContact O-N 3.08Å; A51-L55 HydrophobicContact CB-CD1 3.87Å; A51-L55 VanDerWaalsContact O-CA 3.25Å; A51-L55 WeakPolarHBondContact O-CA 3.21Å; A51-L55 WeakPolarHBondContact O-CB 3.3Å; A51-L55 WeakPolarHBondContact O-CD1 3.11Å; A51-L55 PolarHBondContact O-N 2.93Å
52	N	35.7	Very low	39.3	Very low	113 Å²	113	85.5 Å²	85.5	60%	0.604	44%	0.443	S	S	*	.	H	α-helix	trans	-77.3	-34.2	177.5	-74.8	-35.3	0	0	0	113.5	T48 L49 L50 F54	T48-N52 VanDerWaalsContact O-CB 3.27Å; T48-N52 WeakPolarHBondContact O-CB 3.43Å; T48-N52 PolarHBondContact O-N 3.16Å; T48-N52 PolarHBondContact O-ND2 2.85Å; L49-N52 PolarHBondContact O-N 3.22Å; L50-N52 PolarHBondContact O-N 2.83Å; N52-F54 VanDerWaalsContact C-N 3.33Å
53	L	35.8	Very low	39.8	Very low	85 Å²	85	87.1 Å²	87.1	45%	0.445	45%	0.451	S	S	.	.	H	α-helix	trans	-69	-30.6	172.3	-95.3	153.9	0	0	0	111.8	L49 L50 S59	L49-L53 HydrophobicContact CD2-CD1 3.58Å; L49-L53 HydrophobicContact CG-CD1 4.28Å; L49-L53 VanDerWaalsContact O-CB 3.26Å; L49-L53 WeakPolarHBondContact O-CB 3.44Å; L49-L53 PolarHBondContact O-N 3.09Å; L50-L53 CarbonylContact O-C 3.59Å; L50-L53 PolarHBondContact O-N 2.87Å; L53-S59 VanDerWaalsContact O-CB 3.28Å; L53-S59 WeakPolarHBondContact O-CB 3.26Å; L53-S59 PolarHBondContact O-OG 3.4Å
54	F	39.3	Very low	40.2	Very low	113 Å²	113	89.9 Å²	89.9	50%	0.496	46%	0.457	S	S	.	.	H	α-helix	trans	-107.1	-27.5	-175.5	-72.8	-71.3	0	0	0	115	L50 N52 C56 Y174	L50-F54 HydrophobicContact CB-CD2 4.21Å; L50-F54 HydrophobicContact CD2-CD2 4.12Å; L50-F54 HydrophobicContact CD2-CE2 3.78Å; L50-F54 WeakPolarHBondContact O-CA 2.96Å; L50-F54 WeakPolarHBondContact O-CB 3.44Å; L50-F54 VanDerWaalsContact O-CD2 3.27Å; L50-F54 WeakPolarHBondContact O-CD2 3.26Å; L50-F54 PolarHBondContact O-N 2.87Å; N52-F54 VanDerWaalsContact C-N 3.33Å; F54-C56 PolarHBondContact O-N 3.25Å; F54-C56 PolarHBondContact O-SG 2.86Å; F54-Y174 AromaticContact CD1-CE2 3.97Å; F54-Y174 HydrophobicContact CD1-CE2 3.97Å; F54-Y174 HydrophobicContact CE1-CE2 4.41Å
55	L	40.8	Very low	40.9	Very low	131 Å²	131	91.4 Å²	91.4	69%	0.686	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	47.4	167.4	-84.9	78.6	0	0	0	111.4	A51 R57	A51-L55 HydrophobicContact CB-CD1 3.87Å; A51-L55 VanDerWaalsContact O-CA 3.25Å; A51-L55 WeakPolarHBondContact O-CA 3.21Å; A51-L55 WeakPolarHBondContact O-CB 3.3Å; A51-L55 WeakPolarHBondContact O-CD1 3.11Å; A51-L55 PolarHBondContact O-N 2.93Å; L55-R57 VanDerWaalsContact C-N 3.35Å; L55-R57 PolarHBondContact O-N 2.81Å
56	C	42.2	Very low	41.6	Very low	76 Å²	76	97.1 Å²	97.1	51%	0.514	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	2.4	142.4	-61.2	0	0	0	0	119.6	F54	F54-C56 PolarHBondContact O-N 3.25Å; F54-C56 PolarHBondContact O-SG 2.86Å
57	R	38.4	Very low	42.1	Very low	216 Å²	216	93.3 Å²	93.3	82%	0.815	45%	0.45	S	S	*	.	S	Bend	trans	-75.8	-51.4	177	-149.9	171.5	108.6	98.9	-2.1	112.9	L55 T61	L55-R57 VanDerWaalsContact C-N 3.35Å; L55-R57 PolarHBondContact O-N 2.81Å; R57-T61 PolarHBondContact O-OG1 2.89Å
58	H	39.3	Very low	42.7	Very low	147 Å²	147	92.4 Å²	92.4	68%	0.681	45%	0.447	S	S	*	.	H	α-helix	trans	-97.2	-46.1	179	-113.3	-55.9	0	0	0	113.2	T61 L62	H58-T61 WeakPolarHBondContact O-CB 3.44Å; H58-T61 PolarHBondContact O-N 3.49Å; H58-L62 WeakPolarHBondContact O-CG 3.47Å; H58-L62 PolarHBondContact O-N 3.36Å
59	S	42.7	Very low	43.8	Very low	28 Å²	28	93.7 Å²	93.7	20%	0.196	45%	0.448	C	S	.	.	H	α-helix	trans	-69.9	-34.3	-178.8	-51.6	0	0	0	0	112.6	L53 T61 L62 I63	L53-S59 VanDerWaalsContact O-CB 3.28Å; L53-S59 WeakPolarHBondContact O-CB 3.26Å; L53-S59 PolarHBondContact O-OG 3.4Å; S59-T61 VanDerWaalsContact C-N 3.31Å; S59-T61 PolarHBondContact O-N 2.96Å; S59-L62 CarbonylContact O-C 3.59Å; S59-L62 PolarHBondContact O-N 3.45Å; S59-L62 VanDerWaalsContact O-N 3.12Å; S59-I63 WeakPolarHBondContact O-CB 3.36Å; S59-I63 VanDerWaalsContact O-CG1 3.25Å; S59-I63 WeakPolarHBondContact O-CG1 3.12Å; S59-I63 PolarHBondContact O-N 2.88Å
60	G	40.9	Very low	44.6	Very low	8 Å²	8	95.7 Å²	95.7	8%	0.082	45%	0.454	C	S	.	.	H	α-helix	trans	-53.2	-54.2	170.2	0	0	0	0	0	109.5	L62 I63 F64	G60-L62 VanDerWaalsContact C-N 3.32Å; G60-L62 PolarHBondContact O-N 3.34Å; G60-I63 PolarHBondContact O-N 2.89Å; G60-I63 VanDerWaalsContact O-N 3.1Å; G60-F64 WeakPolarHBondContact O-CB 3.39Å; G60-F64 WeakPolarHBondContact O-CD2 3.36Å; G60-F64 PolarHBondContact O-N 2.98Å
61	T	41.3	Very low	45.3	Very low	84 Å²	84	94.4 Å²	94.4	52%	0.515	45%	0.445	S	S	.	.	H	α-helix	trans	-56.2	-41.3	175.6	-48.4	0	0	0	0	113	R57 H58 S59 R65	R57-T61 PolarHBondContact O-OG1 2.89Å; H58-T61 WeakPolarHBondContact O-CB 3.44Å; H58-T61 PolarHBondContact O-N 3.49Å; S59-T61 VanDerWaalsContact C-N 3.31Å; S59-T61 PolarHBondContact O-N 2.96Å; T61-R65 WeakPolarHBondContact O-CB 3.41Å; T61-R65 PolarHBondContact O-N 3.24Å
62	L	46.4	Very low	46.3	Very low	77 Å²	77	97.1 Å²	97.1	40%	0.403	45%	0.451	S	S	.	.	H	α-helix	trans	-67.1	-39.9	176.2	-62.7	176.2	0	0	0	112.6	H58 S59 G60 R65 R66	H58-L62 WeakPolarHBondContact O-CG 3.47Å; H58-L62 PolarHBondContact O-N 3.36Å; S59-L62 CarbonylContact O-C 3.59Å; S59-L62 PolarHBondContact O-N 3.45Å; S59-L62 VanDerWaalsContact O-N 3.12Å; G60-L62 VanDerWaalsContact C-N 3.32Å; G60-L62 PolarHBondContact O-N 3.34Å; L62-R65 PolarHBondContact O-N 3.44Å; L62-R66 VanDerWaalsContact O-CB 3.32Å; L62-R66 WeakPolarHBondContact O-CB 3.45Å; L62-R66 WeakPolarHBondContact O-CG 3.45Å; L62-R66 PolarHBondContact O-N 2.83Å
63	I	46.7	Very low	47.4	Very low	77 Å²	77	96.3 Å²	96.3	40%	0.395	45%	0.454	S	S	.	.	H	α-helix	trans	-68.1	-47.8	177.2	-69.1	165.6	0	0	0	109.4	S59 G60 R65 R66 L67	S59-I63 WeakPolarHBondContact O-CB 3.36Å; S59-I63 VanDerWaalsContact O-CG1 3.25Å; S59-I63 WeakPolarHBondContact O-CG1 3.12Å; S59-I63 PolarHBondContact O-N 2.88Å; G60-I63 PolarHBondContact O-N 2.89Å; G60-I63 VanDerWaalsContact O-N 3.1Å; I63-R65 VanDerWaalsContact C-N 3.3Å; I63-R65 PolarHBondContact O-N 2.8Å; I63-R66 PolarHBondContact O-N 3.05Å; I63-L67 HydrophobicContact CG2-CD1 3.75Å; I63-L67 HydrophobicContact CG2-CG 4.3Å; I63-L67 VanDerWaalsContact O-CB 3.32Å; I63-L67 WeakPolarHBondContact O-CB 3.33Å; I63-L67 WeakPolarHBondContact O-CG 3.48Å; I63-L67 PolarHBondContact O-N 3.09Å
64	F	48.5	Very low	48.2	Very low	105 Å²	105	96 Å²	96	46%	0.461	45%	0.452	S	S	.	.	H	α-helix	trans	-57.2	-44.9	173.2	-90.3	-78.4	0	0	0	111.3	G60 L67 R68 L96	G60-F64 WeakPolarHBondContact O-CB 3.39Å; G60-F64 WeakPolarHBondContact O-CD2 3.36Å; G60-F64 PolarHBondContact O-N 2.98Å; F64-L67 PolarHBondContact O-N 3.45Å; F64-R68 WeakPolarHBondContact O-CB 3.37Å; F64-R68 PolarHBondContact O-N 3.1Å; F64-L96 HydrophobicContact CD1-CD1 4.21Å; F64-L96 HydrophobicContact CE1-CD1 3.15Å; F64-L96 HydrophobicContact CE1-CD2 3.98Å; F64-L96 HydrophobicContact CE1-CG 4.18Å; F64-L96 HydrophobicContact CE2-CD2 4.11Å; F64-L96 HydrophobicContact CZ-CD1 3.35Å; F64-L96 HydrophobicContact CZ-CD2 3.63Å; F64-L96 HydrophobicContact CZ-CG 4.03Å
65	R	51.5	Low	49	Very low	99 Å²	99	92.7 Å²	92.7	37%	0.374	44%	0.438	S	S	.	.	H	α-helix	trans	-66.5	-41.3	177.7	-174.2	179	48.9	67.6	2.7	111.2	T61 L62 I63 R68 E69	T61-R65 WeakPolarHBondContact O-CB 3.41Å; T61-R65 PolarHBondContact O-N 3.24Å; L62-R65 PolarHBondContact O-N 3.44Å; I63-R65 VanDerWaalsContact C-N 3.3Å; I63-R65 PolarHBondContact O-N 2.8Å; R65-R68 PolarHBondContact O-N 3.26Å; R65-E69 WeakPolarHBondContact CD-OE1 3.31Å; R65-E69 HydrophobicContact CG-CG 4.31Å; R65-E69 VanDerWaalsContact CG-OE1 3.22Å; R65-E69 WeakPolarHBondContact CG-OE1 3.36Å; R65-E69 IonicContact CZ-OE1 2.75Å; R65-E69 IonicContact NH1-OE1 2.82Å; R65-E69 PolarHBondContact NH1-OE1 3.33Å; R65-E69 IonicContact NH1-OE2 3.33Å; R65-E69 PolarHBondContact NH1-OE2 3.29Å; R65-E69 VanDerWaalsContact O-CB 3.23Å; R65-E69 WeakPolarHBondContact O-CB 3.32Å; R65-E69 WeakPolarHBondContact O-CG 3.42Å; R65-E69 PolarHBondContact O-N 2.89Å
66	R	51.4	Low	49.8	Very low	177 Å²	177	90.9 Å²	90.9	67%	0.668	44%	0.436	S	S	*	.	H	α-helix	trans	-65.8	-42.6	174.4	-84.3	-179.1	170.8	162.4	-1.2	112.7	L62 I63 K70	L62-R66 VanDerWaalsContact O-CB 3.32Å; L62-R66 WeakPolarHBondContact O-CB 3.45Å; L62-R66 WeakPolarHBondContact O-CG 3.45Å; L62-R66 PolarHBondContact O-N 2.83Å; I63-R66 PolarHBondContact O-N 3.05Å; R66-K70 WeakPolarHBondContact O-CB 3.45Å; R66-K70 PolarHBondContact O-N 3.16Å
67	L	51.3	Low	50.6	Low	9 Å²	9	94.6 Å²	94.6	5%	0.047	45%	0.451	C	S	.	.	H	α-helix	trans	-62.8	-45.3	175.2	-79	167.5	0	0	0	109.9	I63 F64 Y71 L163 M166 I167 L170	I63-L67 HydrophobicContact CG2-CD1 3.75Å; I63-L67 HydrophobicContact CG2-CG 4.3Å; I63-L67 VanDerWaalsContact O-CB 3.32Å; I63-L67 WeakPolarHBondContact O-CB 3.33Å; I63-L67 WeakPolarHBondContact O-CG 3.48Å; I63-L67 PolarHBondContact O-N 3.09Å; F64-L67 PolarHBondContact O-N 3.45Å; L67-Y71 WeakPolarHBondContact O-CB 3.05Å; L67-Y71 PolarHBondContact O-N 3.24Å; L67-L163 HydrophobicContact CD2-CD1 3.89Å; L67-M166 HydrophobicContact CD2-CE 4.06Å; L67-I167 HydrophobicContact CD1-CG1 4.37Å; L67-I167 HydrophobicContact CD2-CG1 4.18Å; L67-L170 HydrophobicContact CD2-CD1 4.02Å
68	R	54.7	Low	51.4	Low	159 Å²	159	86.5 Å²	86.5	60%	0.6	42%	0.424	S	S	*	.	H	α-helix	trans	-61.5	-52.4	175.1	-175.8	179.2	-177.8	-103	-0.8	111.1	F64 R65 K70 Y71 F72	F64-R68 WeakPolarHBondContact O-CB 3.37Å; F64-R68 PolarHBondContact O-N 3.1Å; R65-R68 PolarHBondContact O-N 3.26Å; R68-K70 PolarHBondContact O-N 2.95Å; R68-Y71 PolarHBondContact O-N 2.97Å; R68-F72 HydrophobicContact CG-CD2 3.53Å; R68-F72 HydrophobicContact CG-CE2 3.7Å; R68-F72 WeakPolarHBondContact O-CB 3.29Å; R68-F72 VanDerWaalsContact O-CD2 3.32Å; R68-F72 WeakPolarHBondContact O-CD2 3.38Å; R68-F72 PolarHBondContact O-N 3.09Å
69	E	58.7	Low	52.3	Low	99 Å²	99	84.4 Å²	84.4	46%	0.463	42%	0.418	S	S	.	.	H	α-helix	trans	-57.6	-47.3	178.6	-78.5	167.7	-169.6	0	0	111	R65 S73	R65-E69 WeakPolarHBondContact CD-OE1 3.31Å; R65-E69 HydrophobicContact CG-CG 4.31Å; R65-E69 VanDerWaalsContact CG-OE1 3.22Å; R65-E69 WeakPolarHBondContact CG-OE1 3.36Å; R65-E69 IonicContact CZ-OE1 2.75Å; R65-E69 IonicContact NH1-OE1 2.82Å; R65-E69 PolarHBondContact NH1-OE1 3.33Å; R65-E69 IonicContact NH1-OE2 3.33Å; R65-E69 PolarHBondContact NH1-OE2 3.29Å; R65-E69 VanDerWaalsContact O-CB 3.23Å; R65-E69 WeakPolarHBondContact O-CB 3.32Å; R65-E69 WeakPolarHBondContact O-CG 3.42Å; R65-E69 PolarHBondContact O-N 2.89Å; E69-S73 WeakPolarHBondContact O-CB 3.4Å; E69-S73 PolarHBondContact O-N 3.08Å
70	K	54.3	Low	53	Low	119 Å²	119	86.9 Å²	86.9	52%	0.517	43%	0.432	S	S	.	.	H	α-helix	trans	-67.9	-40.4	179.6	-171.3	160.9	171.3	-176.6	0	112	R66 R68 S73 L74 M166	R66-K70 WeakPolarHBondContact O-CB 3.45Å; R66-K70 PolarHBondContact O-N 3.16Å; R68-K70 PolarHBondContact O-N 2.95Å; K70-S73 PolarHBondContact O-N 3.21Å; K70-L74 PolarHBondContact O-N 2.99Å; K70-M166 HydrophobicContact CB-CE 4.46Å; K70-M166 HydrophobicContact CD-CE 3.53Å; K70-M166 HydrophobicContact CD-SD 4.32Å; K70-M166 HydrophobicContact CG-CE 4Å
71	Y	53.7	Low	53.7	Low	25 Å²	25	92.9 Å²	92.9	10%	0.098	46%	0.462	C	S	.	.	H	α-helix	trans	-64.6	-50.2	175.5	174.2	-93.4	0	0	0	111.8	L67 R68 S73 L74 H75 F85 Q88 L163	L67-Y71 WeakPolarHBondContact O-CB 3.05Å; L67-Y71 PolarHBondContact O-N 3.24Å; R68-Y71 PolarHBondContact O-N 2.97Å; Y71-S73 VanDerWaalsContact C-N 3.28Å; Y71-S73 PolarHBondContact O-N 3Å; Y71-L74 PolarHBondContact O-N 3.29Å; Y71-L74 VanDerWaalsContact O-N 3.11Å; Y71-H75 AromaticContact CD2-CE1 3.77Å; Y71-H75 AromaticContact CD2-ND1 3.38Å; Y71-H75 WeakPolarHBondContact CD2-ND1 3.29Å; Y71-H75 HydrophobicContact CE1-CB 4.34Å; Y71-H75 HydrophobicContact CE2-CB 4.43Å; Y71-H75 AromaticContact CE2-CE1 3.77Å; Y71-H75 AromaticContact CE2-CG 3.88Å; Y71-H75 AromaticContact CE2-ND1 3.46Å; Y71-H75 WeakPolarHBondContact CE2-ND1 3.45Å; Y71-H75 AromaticContact CG-ND1 3.95Å; Y71-H75 VanDerWaalsContact O-CB 3.26Å; Y71-H75 WeakPolarHBondContact O-CB 3.5Å; Y71-H75 PolarHBondContact O-N 2.92Å; Y71-H75 PolarHBondContact O-ND1 2.97Å; Y71-F85 HydrophobicContact CE1-CD2 4.36Å; Y71-F85 HydrophobicContact CE1-CE2 4.08Å; Y71-F85 VanDerWaalsContact OH-CD2 3.32Å; Y71-F85 WeakPolarHBondContact OH-CD2 3.26Å; Y71-Q88 HydrophobicContact CE2-CB 4.23Å; Y71-Q88 HydrophobicContact CE2-CG 4.44Å; Y71-Q88 VanDerWaalsContact CE2-OE1 3.25Å; Y71-Q88 VanDerWaalsContact CZ-OE1 3.25Å; Y71-Q88 PolarHBondContact OH-OE1 2.81Å; Y71-L163 HydrophobicContact CD2-CD2 4.11Å
72	F	58.8	Low	54.8	Low	93 Å²	93	90.5 Å²	90.5	41%	0.408	45%	0.448	S	S	.	.	H	α-helix	trans	-64.2	-33.3	176.8	-90	-85.1	0	0	0	112.2	R68 L74 H75 S76	R68-F72 HydrophobicContact CG-CD2 3.53Å; R68-F72 HydrophobicContact CG-CE2 3.7Å; R68-F72 WeakPolarHBondContact O-CB 3.29Å; R68-F72 VanDerWaalsContact O-CD2 3.32Å; R68-F72 WeakPolarHBondContact O-CD2 3.38Å; R68-F72 PolarHBondContact O-N 3.09Å; F72-L74 VanDerWaalsContact C-N 3.31Å; F72-H75 PolarHBondContact O-N 3.3Å; F72-S76 WeakPolarHBondContact O-CA 3.39Å; F72-S76 PolarHBondContact O-N 3.38Å; F72-S76 VanDerWaalsContact O-N 3.08Å
73	S	58.7	Low	55.6	Low	96 Å²	96	94.4 Å²	94.4	67%	0.671	46%	0.458	S	S	*	.	H	α-helix	trans	-66.2	-32.8	173.5	-176.3	0	0	0	0	112.6	E69 K70 Y71	E69-S73 WeakPolarHBondContact O-CB 3.4Å; E69-S73 PolarHBondContact O-N 3.08Å; K70-S73 PolarHBondContact O-N 3.21Å; Y71-S73 VanDerWaalsContact C-N 3.28Å; Y71-S73 PolarHBondContact O-N 3Å
74	L	52.8	Low	56.4	Low	79 Å²	79	93.5 Å²	93.5	41%	0.414	45%	0.453	S	S	.	.	H	α-helix	trans	-82.9	-27.2	176	-119.4	67.8	0	0	0	112.5	K70 Y71 F72 D160	K70-L74 PolarHBondContact O-N 2.99Å; Y71-L74 PolarHBondContact O-N 3.29Å; Y71-L74 VanDerWaalsContact O-N 3.11Å; F72-L74 VanDerWaalsContact C-N 3.31Å; L74-D160 HydrophobicContact CD2-CB 3.66Å; L74-D160 VanDerWaalsContact CD2-CG 3.44Å; L74-D160 WeakPolarHBondContact CD2-OD2 3.29Å; L74-D160 WeakPolarHBondContact CG-OD2 3.3Å
75	H	56.3	Low	57	Low	43 Å²	43	89.3 Å²	89.3	20%	0.199	44%	0.435	C	S	.	.			trans	-124.7	31.2	-165.6	-63.1	96.3	0	0	0	112.9	Y71 F72 N77 I78	Y71-H75 AromaticContact CD2-CE1 3.77Å; Y71-H75 AromaticContact CD2-ND1 3.38Å; Y71-H75 WeakPolarHBondContact CD2-ND1 3.29Å; Y71-H75 HydrophobicContact CE1-CB 4.34Å; Y71-H75 HydrophobicContact CE2-CB 4.43Å; Y71-H75 AromaticContact CE2-CE1 3.77Å; Y71-H75 AromaticContact CE2-CG 3.88Å; Y71-H75 AromaticContact CE2-ND1 3.46Å; Y71-H75 WeakPolarHBondContact CE2-ND1 3.45Å; Y71-H75 AromaticContact CG-ND1 3.95Å; Y71-H75 VanDerWaalsContact O-CB 3.26Å; Y71-H75 WeakPolarHBondContact O-CB 3.5Å; Y71-H75 PolarHBondContact O-N 2.92Å; Y71-H75 PolarHBondContact O-ND1 2.97Å; F72-H75 PolarHBondContact O-N 3.3Å; H75-N77 PolarHBondContact O-N 2.9Å; H75-I78 HydrophobicContact CB-CD1 3.65Å; H75-I78 WeakPolarHBondContact CD2-CD1 3.29Å; H75-I78 PolarHBondContact O-N 3.41Å; H75-I78 VanDerWaalsContact O-N 3.1Å
76	S	57.3	Low	57.5	Low	92 Å²	92	89.2 Å²	89.2	64%	0.643	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-19.9	-173.9	61.3	0	0	0	0	114.6	F72	F72-S76 WeakPolarHBondContact O-CA 3.39Å; F72-S76 PolarHBondContact O-N 3.38Å; F72-S76 VanDerWaalsContact O-N 3.08Å
77	N	58.6	Low	57.8	Low	154 Å²	154	81.5 Å²	81.5	82%	0.824	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	6.8	-177.2	-70.2	-10.6	0	0	0	114.6	H75 N79	H75-N77 PolarHBondContact O-N 2.9Å; N77-N79 PolarHBondContact O-N 3.41Å
78	I	55.5	Low	58.3	Low	46 Å²	46	82.3 Å²	82.3	24%	0.236	42%	0.417	C	S	.	.			trans	-78	123	178.3	-83.6	158	0	0	0	110.8	H75 T80 S82 L84 F85	H75-I78 HydrophobicContact CB-CD1 3.65Å; H75-I78 WeakPolarHBondContact CD2-CD1 3.29Å; H75-I78 PolarHBondContact O-N 3.41Å; H75-I78 VanDerWaalsContact O-N 3.1Å; I78-T80 PolarHBondContact O-N 3.4Å; I78-S82 WeakPolarHBondContact CG2-OG 3.34Å; I78-L84 HydrophobicContact CD1-CD2 4.13Å; I78-F85 HydrophobicContact CG2-CB 3.74Å; I78-F85 HydrophobicContact CG2-CD2 3.94Å; I78-F85 HydrophobicContact CG2-CG 4.24Å
79	N	57.6	Low	58.4	Low	104 Å²	104	80.9 Å²	80.9	56%	0.556	42%	0.415	S	S	*	.			trans	-59	125.7	168.7	-173.6	-15.9	0	0	0	109.3	N77 D81 S82	N77-N79 PolarHBondContact O-N 3.41Å; N79-D81 PolarHBondContact O-N 2.92Å; N79-D81 VanDerWaalsContact O-N 3.14Å; N79-D81 PolarHBondContact OD1-N 3.14Å; N79-S82 VanDerWaalsContact O-CB 3.27Å; N79-S82 WeakPolarHBondContact O-CB 3.31Å; N79-S82 PolarHBondContact O-N 3.29Å; N79-S82 PolarHBondContact O-OG 3.49Å
80	T	58	Low	58.5	Low	80 Å²	80	79.7 Å²	79.7	49%	0.491	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-20.7	-179.3	49.4	0	0	0	0	113.3	I78 F85	I78-T80 PolarHBondContact O-N 3.4Å; T80-F85 HydrophobicContact CG2-CE1 4.06Å; T80-F85 HydrophobicContact CG2-CZ 4.06Å; T80-F85 WeakPolarHBondContact O-CD1 3.41Å
81	D	54.5	Low	58.5	Low	133 Å²	133	74.6 Å²	74.6	71%	0.711	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-1.9	177.4	-63.9	-21.9	0	0	0	112.9	N79 R83	N79-D81 PolarHBondContact O-N 2.92Å; N79-D81 VanDerWaalsContact O-N 3.14Å; N79-D81 PolarHBondContact OD1-N 3.14Å; D81-R83 PolarHBondContact O-N 3.02Å
82	S	66.3	Low	58.8	Low	34 Å²	34	75.4 Å²	75.4	24%	0.238	40%	0.399	C	S	.	.	S	Bend	trans	-64.7	138.4	175.4	68.7	0	0	0	0	110.6	I78 N79 L84 F85 I86	I78-S82 WeakPolarHBondContact CG2-OG 3.34Å; N79-S82 VanDerWaalsContact O-CB 3.27Å; N79-S82 WeakPolarHBondContact O-CB 3.31Å; N79-S82 PolarHBondContact O-N 3.29Å; N79-S82 PolarHBondContact O-OG 3.49Å; S82-L84 PolarHBondContact O-N 3.24Å; S82-L84 VanDerWaalsContact O-N 3.12Å; S82-F85 WeakPolarHBondContact O-CB 3.44Å; S82-F85 PolarHBondContact O-N 3.4Å; S82-F85 WeakPolarHBondContact OG-CB 3.27Å; S82-F85 PolarHBondContact OG-N 3.3Å; S82-I86 PolarHBondContact O-N 3.38Å
83	R	62.6	Low	58.6	Low	159 Å²	159	72.4 Å²	72.4	60%	0.6	39%	0.394	S	S	*	.	H	α-helix	trans	-54.6	-31.7	174.2	-161	174.2	109.2	-176.8	5.9	111.7	D81 T87	D81-R83 PolarHBondContact O-N 3.02Å; R83-T87 VanDerWaalsContact O-CB 3.24Å; R83-T87 WeakPolarHBondContact O-CB 3.33Å; R83-T87 PolarHBondContact O-N 2.85Å; R83-T87 PolarHBondContact O-OG1 2.78Å
84	L	62.9	Low	58.5	Low	58 Å²	58	68 Å²	68	30%	0.304	36%	0.364	S	S	.	.	H	α-helix	trans	-61.1	-46.1	173.9	-177	65.8	0	0	0	112.1	I78 S82 T87 Q88 W159	I78-L84 HydrophobicContact CD1-CD2 4.13Å; S82-L84 PolarHBondContact O-N 3.24Å; S82-L84 VanDerWaalsContact O-N 3.12Å; L84-T87 WeakPolarHBondContact O-CB 3.32Å; L84-T87 PolarHBondContact O-N 2.81Å; L84-Q88 WeakPolarHBondContact O-CB 3.09Å; L84-Q88 WeakPolarHBondContact O-CG 3.39Å; L84-Q88 PolarHBondContact O-N 3.33Å; L84-W159 HydrophobicContact CD1-CZ3 4.25Å
85	F	61.3	Low	58.7	Low	18 Å²	18	64.6 Å²	64.6	8%	0.079	35%	0.347	C	S	.	.	H	α-helix	trans	-65.1	-44.1	178.7	-176.7	-103.3	0	0	0	112.4	Y71 I78 T80 S82 T87 Q88 K89	Y71-F85 HydrophobicContact CE1-CD2 4.36Å; Y71-F85 HydrophobicContact CE1-CE2 4.08Å; Y71-F85 VanDerWaalsContact OH-CD2 3.32Å; Y71-F85 WeakPolarHBondContact OH-CD2 3.26Å; I78-F85 HydrophobicContact CG2-CB 3.74Å; I78-F85 HydrophobicContact CG2-CD2 3.94Å; I78-F85 HydrophobicContact CG2-CG 4.24Å; T80-F85 HydrophobicContact CG2-CE1 4.06Å; T80-F85 HydrophobicContact CG2-CZ 4.06Å; T80-F85 WeakPolarHBondContact O-CD1 3.41Å; S82-F85 WeakPolarHBondContact O-CB 3.44Å; S82-F85 PolarHBondContact O-N 3.4Å; S82-F85 WeakPolarHBondContact OG-CB 3.27Å; S82-F85 PolarHBondContact OG-N 3.3Å; F85-T87 VanDerWaalsContact C-N 3.31Å; F85-T87 PolarHBondContact O-N 3.28Å; F85-Q88 PolarHBondContact O-N 2.85Å; F85-K89 HydrophobicContact CD1-CD 4.2Å; F85-K89 HydrophobicContact CE1-CD 3.83Å; F85-K89 HydrophobicContact CE1-CG 4.43Å; F85-K89 VanDerWaalsContact CE1-NZ 3.29Å; F85-K89 HydrophobicContact CZ-CD 4.35Å; F85-K89 VanDerWaalsContact CZ-CE 3.47Å; F85-K89 PolarHBondContact O-N 2.88Å
86	I	61.8	Low	58.7	Low	96 Å²	96	64.3 Å²	64.3	49%	0.492	35%	0.346	S	S	.	.	H	α-helix	trans	-59.2	-46.5	174.6	-63.4	173.1	0	0	0	109.8	S82 Q88 K89 V90	S82-I86 PolarHBondContact O-N 3.38Å; I86-Q88 PolarHBondContact O-N 3.25Å; I86-K89 WeakPolarHBondContact O-CB 3.44Å; I86-K89 PolarHBondContact O-N 2.73Å; I86-V90 WeakPolarHBondContact O-CG2 3.25Å; I86-V90 PolarHBondContact O-N 2.79Å
87	T	58.1	Low	58.5	Low	16 Å²	16	61.4 Å²	61.4	10%	0.098	32%	0.323	C	S	.	.	H	α-helix	trans	-58.5	-45.9	177.1	-62	0	0	0	0	111.5	R83 L84 F85 K89 V90 L91 F116	R83-T87 VanDerWaalsContact O-CB 3.24Å; R83-T87 WeakPolarHBondContact O-CB 3.33Å; R83-T87 PolarHBondContact O-N 2.85Å; R83-T87 PolarHBondContact O-OG1 2.78Å; L84-T87 WeakPolarHBondContact O-CB 3.32Å; L84-T87 PolarHBondContact O-N 2.81Å; F85-T87 VanDerWaalsContact C-N 3.31Å; F85-T87 PolarHBondContact O-N 3.28Å; T87-K89 PolarHBondContact O-N 2.9Å; T87-V90 PolarHBondContact O-N 2.79Å; T87-L91 HydrophobicContact CG2-CD1 3.91Å; T87-L91 HydrophobicContact CG2-CG 4.41Å; T87-L91 WeakPolarHBondContact O-CB 3.1Å; T87-L91 VanDerWaalsContact O-CG 3.3Å; T87-L91 WeakPolarHBondContact O-CG 3.43Å; T87-L91 PolarHBondContact O-N 2.93Å; T87-F116 HydrophobicContact CG2-CB 3.57Å; T87-F116 HydrophobicContact CG2-CD1 3.8Å; T87-F116 HydrophobicContact CG2-CG 3.75Å
88	Q	60.9	Low	58.4	Low	25 Å²	25	54.3 Å²	54.3	12%	0.117	29%	0.286	C	S	.	.	H	α-helix	trans	-66.3	-34.9	178.6	-74.5	174.4	-26.2	0	0	112.5	Y71 L84 F85 I86 L91 L92	Y71-Q88 HydrophobicContact CE2-CB 4.23Å; Y71-Q88 HydrophobicContact CE2-CG 4.44Å; Y71-Q88 VanDerWaalsContact CE2-OE1 3.25Å; Y71-Q88 VanDerWaalsContact CZ-OE1 3.25Å; Y71-Q88 PolarHBondContact OH-OE1 2.81Å; L84-Q88 WeakPolarHBondContact O-CB 3.09Å; L84-Q88 WeakPolarHBondContact O-CG 3.39Å; L84-Q88 PolarHBondContact O-N 3.33Å; F85-Q88 PolarHBondContact O-N 2.85Å; I86-Q88 PolarHBondContact O-N 3.25Å; Q88-L91 PolarHBondContact O-N 3.07Å; Q88-L92 VanDerWaalsContact O-CB 3.28Å; Q88-L92 WeakPolarHBondContact O-CB 3.49Å; Q88-L92 PolarHBondContact O-N 2.9Å
89	K	58.5	Low	58.2	Low	129 Å²	129	55.1 Å²	55.1	56%	0.561	29%	0.288	S	S	*	.	H	α-helix	trans	-63.5	-44.6	170.9	-82	-179	168.5	175.2	0	112.2	F85 I86 T87 L91 L92 G93	F85-K89 HydrophobicContact CD1-CD 4.2Å; F85-K89 HydrophobicContact CE1-CD 3.83Å; F85-K89 HydrophobicContact CE1-CG 4.43Å; F85-K89 VanDerWaalsContact CE1-NZ 3.29Å; F85-K89 HydrophobicContact CZ-CD 4.35Å; F85-K89 VanDerWaalsContact CZ-CE 3.47Å; F85-K89 PolarHBondContact O-N 2.88Å; I86-K89 WeakPolarHBondContact O-CB 3.44Å; I86-K89 PolarHBondContact O-N 2.73Å; T87-K89 PolarHBondContact O-N 2.9Å; K89-L91 VanDerWaalsContact C-N 3.35Å; K89-L92 PolarHBondContact O-N 3.06Å; K89-G93 PolarHBondContact O-N 2.99Å
90	V	59	Low	58	Low	75 Å²	75	53.4 Å²	53.4	46%	0.455	29%	0.288	S	S	.	.	H	α-helix	trans	-63.7	-43	177.1	174.5	0	0	0	0	110.3	I86 T87 G93 G94 F116	I86-V90 WeakPolarHBondContact O-CG2 3.25Å; I86-V90 PolarHBondContact O-N 2.79Å; T87-V90 PolarHBondContact O-N 2.79Å; V90-G93 PolarHBondContact O-N 2.89Å; V90-G94 WeakPolarHBondContact O-CA 3.48Å; V90-G94 PolarHBondContact O-N 3.08Å; V90-F116 HydrophobicContact CB-CZ 4.35Å; V90-F116 HydrophobicContact CG1-CE1 4.19Å; V90-F116 HydrophobicContact CG1-CE2 4.15Å; V90-F116 HydrophobicContact CG1-CZ 3.52Å
91	L	56	Low	57.9	Low	11 Å²	11	50.5 Å²	50.5	6%	0.058	27%	0.269	C	S	.	.	H	α-helix	trans	-66.1	-37.3	175.5	-73.1	171.1	0	0	0	113	T87 Q88 K89 G94 S95 T112 L113 F116 T164	T87-L91 HydrophobicContact CG2-CD1 3.91Å; T87-L91 HydrophobicContact CG2-CG 4.41Å; T87-L91 WeakPolarHBondContact O-CB 3.1Å; T87-L91 VanDerWaalsContact O-CG 3.3Å; T87-L91 WeakPolarHBondContact O-CG 3.43Å; T87-L91 PolarHBondContact O-N 2.93Å; Q88-L91 PolarHBondContact O-N 3.07Å; K89-L91 VanDerWaalsContact C-N 3.35Å; L91-G94 PolarHBondContact O-N 3.45Å; L91-S95 WeakPolarHBondContact O-CB 3.21Å; L91-S95 PolarHBondContact O-N 3.32Å; L91-S95 PolarHBondContact O-OG 3.48Å; L91-T112 HydrophobicContact CD2-CG2 4.46Å; L91-L113 HydrophobicContact CD1-CD2 3.58Å; L91-L113 HydrophobicContact CD2-CD2 3.73Å; L91-L113 HydrophobicContact CD2-CG 4.33Å; L91-L113 HydrophobicContact CG-CD2 4.31Å; L91-F116 HydrophobicContact CD2-CD2 3.74Å; L91-F116 HydrophobicContact CD2-CE2 4.05Å; L91-F116 HydrophobicContact CG-CD2 4.17Å; L91-F116 HydrophobicContact CG-CE2 4.49Å; L91-T164 HydrophobicContact CB-CG2 4.1Å; L91-T164 HydrophobicContact CD2-CG2 4.05Å
92	L	58.8	Low	58	Low	43 Å²	43	48.4 Å²	48.4	23%	0.225	26%	0.257	C	S	.	.	H	α-helix	trans	-63.3	-55.3	173.7	175.9	55.3	0	0	0	110.5	Q88 K89 G94 S95 L96 L163 I167	Q88-L92 VanDerWaalsContact O-CB 3.28Å; Q88-L92 WeakPolarHBondContact O-CB 3.49Å; Q88-L92 PolarHBondContact O-N 2.9Å; K89-L92 PolarHBondContact O-N 3.06Å; L92-G94 PolarHBondContact O-N 3.18Å; L92-S95 PolarHBondContact O-N 2.84Å; L92-S95 VanDerWaalsContact O-N 3.16Å; L92-L96 HydrophobicContact CD1-CD1 3.63Å; L92-L96 HydrophobicContact CD1-CG 4.02Å; L92-L96 HydrophobicContact CG-CD1 3.72Å; L92-L96 WeakPolarHBondContact O-CB 3.35Å; L92-L96 WeakPolarHBondContact O-CD1 3.37Å; L92-L96 VanDerWaalsContact O-CG 3.23Å; L92-L96 WeakPolarHBondContact O-CG 3.4Å; L92-L96 PolarHBondContact O-N 2.92Å; L92-L163 HydrophobicContact CB-CD2 3.73Å; L92-L163 HydrophobicContact CD1-CD2 3.84Å; L92-L163 HydrophobicContact CD1-CG 4.2Å; L92-L163 HydrophobicContact CD2-CD2 4.12Å; L92-L163 HydrophobicContact CG-CD2 4.08Å; L92-I167 HydrophobicContact CD1-CD1 3.6Å
93	G	55.9	Low	57.4	Low	30 Å²	30	50.8 Å²	50.8	31%	0.309	26%	0.264	S	S	.	.	H	α-helix	trans	-55.7	-41.6	175.5	0	0	0	0	0	111.2	K89 V90 L96 I97	K89-G93 PolarHBondContact O-N 2.99Å; V90-G93 PolarHBondContact O-N 2.89Å; G93-L96 PolarHBondContact O-N 3.31Å; G93-I97 WeakPolarHBondContact O-CG1 3.5Å; G93-I97 PolarHBondContact O-N 2.61Å
94	G	55.3	Low	57	Low	3 Å²	3	43.9 Å²	43.9	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-46.3	-64.4	169.1	0	0	0	0	0	113	V90 L91 L92 L96 I97 S98 P335	V90-G94 WeakPolarHBondContact O-CA 3.48Å; V90-G94 PolarHBondContact O-N 3.08Å; L91-G94 PolarHBondContact O-N 3.45Å; L92-G94 PolarHBondContact O-N 3.18Å; G94-L96 VanDerWaalsContact C-N 3.26Å; G94-L96 PolarHBondContact O-N 3.33Å; G94-I97 PolarHBondContact O-N 3.15Å; G94-S98 WeakPolarHBondContact O-CB 3.47Å; G94-S98 PolarHBondContact O-N 3.31Å; G94-S98 PolarHBondContact O-OG 3.46Å; G94-P335 VanDerWaalsContact C-CB 3.43Å; G94-P335 VanDerWaalsContact CA-CB 3.5Å; G94-P335 WeakPolarHBondContact O-CB 3Å; G94-P335 WeakPolarHBondContact O-CG 3.36Å
95	S	56.5	Low	56.7	Low	8 Å²	8	44.5 Å²	44.5	6%	0.056	25%	0.245	C	C	.	.	H	α-helix	trans	-64	-31	-176.4	-54.8	0	0	0	0	112.6	L91 L92 S98 F99 T164	L91-S95 WeakPolarHBondContact O-CB 3.21Å; L91-S95 PolarHBondContact O-N 3.32Å; L91-S95 PolarHBondContact O-OG 3.48Å; L92-S95 PolarHBondContact O-N 2.84Å; L92-S95 VanDerWaalsContact O-N 3.16Å; S95-S98 WeakPolarHBondContact O-CB 3.45Å; S95-F99 VanDerWaalsContact O-CB 3.31Å; S95-F99 WeakPolarHBondContact O-CB 3.08Å; S95-F99 PolarHBondContact O-N 2.87Å; S95-T164 WeakPolarHBondContact OG-CG2 3.2Å
96	L	56.4	Low	56.5	Low	36 Å²	36	48.8 Å²	48.8	19%	0.188	27%	0.268	C	S	.	.	H	α-helix	trans	-73.9	-43.1	177.3	-70.4	159.8	0	0	0	112.6	F64 L92 G93 G94 S98 F99 A100	F64-L96 HydrophobicContact CD1-CD1 4.21Å; F64-L96 HydrophobicContact CE1-CD1 3.15Å; F64-L96 HydrophobicContact CE1-CD2 3.98Å; F64-L96 HydrophobicContact CE1-CG 4.18Å; F64-L96 HydrophobicContact CE2-CD2 4.11Å; F64-L96 HydrophobicContact CZ-CD1 3.35Å; F64-L96 HydrophobicContact CZ-CD2 3.63Å; F64-L96 HydrophobicContact CZ-CG 4.03Å; L92-L96 HydrophobicContact CD1-CD1 3.63Å; L92-L96 HydrophobicContact CD1-CG 4.02Å; L92-L96 HydrophobicContact CG-CD1 3.72Å; L92-L96 WeakPolarHBondContact O-CB 3.35Å; L92-L96 WeakPolarHBondContact O-CD1 3.37Å; L92-L96 VanDerWaalsContact O-CG 3.23Å; L92-L96 WeakPolarHBondContact O-CG 3.4Å; L92-L96 PolarHBondContact O-N 2.92Å; G93-L96 PolarHBondContact O-N 3.31Å; G94-L96 VanDerWaalsContact C-N 3.26Å; G94-L96 PolarHBondContact O-N 3.33Å; L96-S98 VanDerWaalsContact C-N 3.26Å; L96-S98 PolarHBondContact O-N 3.09Å; L96-F99 WeakPolarHBondContact O-CB 3.46Å; L96-F99 PolarHBondContact O-N 3.23Å; L96-A100 WeakPolarHBondContact O-CB 3.44Å; L96-A100 PolarHBondContact O-N 3.39Å
97	I	54.6	Low	56.5	Low	31 Å²	31	50.2 Å²	50.2	16%	0.159	27%	0.273	C	S	.	.	H	α-helix	trans	-61.9	-41	172.1	-69.2	164.9	0	0	0	109.4	G93 G94 F99 A100 Q101 P335 M336 P461 I462	G93-I97 WeakPolarHBondContact O-CG1 3.5Å; G93-I97 PolarHBondContact O-N 2.61Å; G94-I97 PolarHBondContact O-N 3.15Å; I97-F99 PolarHBondContact O-N 3.49Å; I97-A100 WeakPolarHBondContact O-CB 3.39Å; I97-A100 PolarHBondContact O-N 2.86Å; I97-Q101 HydrophobicContact CG2-CG 4.46Å; I97-Q101 WeakPolarHBondContact O-CG 3.4Å; I97-Q101 PolarHBondContact O-N 2.83Å; I97-P335 HydrophobicContact CB-CB 4.3Å; I97-P335 HydrophobicContact CB-CG 3.56Å; I97-P335 HydrophobicContact CD1-CG 3.89Å; I97-P335 HydrophobicContact CG1-CG 4.31Å; I97-P335 HydrophobicContact CG2-CB 4.35Å; I97-P335 HydrophobicContact CG2-CG 3.58Å; I97-M336 HydrophobicContact CG2-CG 4.49Å; I97-P461 HydrophobicContact CG2-CG 3.86Å; I97-I462 HydrophobicContact CD1-CG2 4.21Å; I97-I462 HydrophobicContact CG1-CG2 4.34Å
98	S	55.5	Low	56.5	Low	5 Å²	5	52.2 Å²	52.2	4%	0.035	28%	0.281	C	S	.	.	H	α-helix	trans	-60.1	-45	174.2	-59.4	0	0	0	0	112.2	G94 S95 L96 A100 Q101 D102 P335	G94-S98 WeakPolarHBondContact O-CB 3.47Å; G94-S98 PolarHBondContact O-N 3.31Å; G94-S98 PolarHBondContact O-OG 3.46Å; S95-S98 WeakPolarHBondContact O-CB 3.45Å; L96-S98 VanDerWaalsContact C-N 3.26Å; L96-S98 PolarHBondContact O-N 3.09Å; S98-A100 VanDerWaalsContact C-N 3.27Å; S98-A100 PolarHBondContact O-N 3.5Å; S98-Q101 PolarHBondContact O-N 3.27Å; S98-D102 PolarHBondContact O-N 3.23Å; S98-D102 VanDerWaalsContact O-N 3.1Å; S98-P335 VanDerWaalsContact OG-CB 3.25Å; S98-P335 WeakPolarHBondContact OG-CB 3.14Å
99	F	52.7	Low	56.1	Low	63 Å²	63	51.3 Å²	51.3	28%	0.276	28%	0.278	S	S	.	.	H	α-helix	trans	-60.8	-38.7	175.6	-176.8	-89	0	0	0	111.1	S95 L96 I97 R171 Y174	S95-F99 VanDerWaalsContact O-CB 3.31Å; S95-F99 WeakPolarHBondContact O-CB 3.08Å; S95-F99 PolarHBondContact O-N 2.87Å; L96-F99 WeakPolarHBondContact O-CB 3.46Å; L96-F99 PolarHBondContact O-N 3.23Å; I97-F99 PolarHBondContact O-N 3.49Å; F99-R171 HydrophobicContact CD2-CB 4.04Å; F99-R171 HydrophobicContact CD2-CG 4.15Å; F99-R171 HydrophobicContact CE2-CB 4.29Å; F99-R171 HydrophobicContact CE2-CG 4.42Å; F99-Y174 HydrophobicContact CE2-CD1 4.12Å; F99-Y174 HydrophobicContact CE2-CG 4.34Å; F99-Y174 AromaticContact CZ-CD1 3.94Å; F99-Y174 HydrophobicContact CZ-CD1 3.94Å; F99-Y174 HydrophobicContact CZ-CE1 4.18Å; F99-Y174 HydrophobicContact CZ-CG 4.14Å
100	A	53.2	Low	56	Low	68 Å²	68	48.6 Å²	48.6	56%	0.562	27%	0.269	S	S	*	.	H	α-helix	trans	-72.3	-30.4	177.3	0	0	0	0	0	113.8	L96 I97 S98 P461	L96-A100 WeakPolarHBondContact O-CB 3.44Å; L96-A100 PolarHBondContact O-N 3.39Å; I97-A100 WeakPolarHBondContact O-CB 3.39Å; I97-A100 PolarHBondContact O-N 2.86Å; S98-A100 VanDerWaalsContact C-N 3.27Å; S98-A100 PolarHBondContact O-N 3.5Å; A100-P461 HydrophobicContact CB-CB 4.26Å
101	Q	54.1	Low	55.9	Low	20 Å²	20	49.1 Å²	49.1	9%	0.093	27%	0.272	C	S	.	.	H	α-helix	trans	-86.2	-15.4	-179.9	-72.8	-173.3	-15.9	0	0	114	I97 S98 K103 V337 P461	I97-Q101 HydrophobicContact CG2-CG 4.46Å; I97-Q101 WeakPolarHBondContact O-CG 3.4Å; I97-Q101 PolarHBondContact O-N 2.83Å; S98-Q101 PolarHBondContact O-N 3.27Å; Q101-K103 WeakPolarHBondContact O-CB 3.42Å; Q101-K103 WeakPolarHBondContact O-CD 3.41Å; Q101-K103 WeakPolarHBondContact O-CG 3.45Å; Q101-K103 PolarHBondContact O-N 3.18Å; Q101-K103 VanDerWaalsContact O-N 3.16Å; Q101-V337 HydrophobicContact CB-CG2 4.46Å; Q101-V337 VanDerWaalsContact OE1-N 3.1Å; Q101-P461 HydrophobicContact CG-CG 4.19Å
102	D	57	Low	55.6	Low	88 Å²	88	49.4 Å²	49.4	47%	0.471	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	31	-178.4	-160.8	26.3	0	0	0	115.7	S98 R171	S98-D102 PolarHBondContact O-N 3.23Å; S98-D102 VanDerWaalsContact O-N 3.1Å; D102-R171 PolarHBondContact O-NH2 3.44Å; D102-R171 IonicContact OD1-CZ 3.46Å; D102-R171 IonicContact OD1-NE 3.84Å; D102-R171 PolarHBondContact OD1-NE 3.4Å; D102-R171 IonicContact OD1-NH2 3.54Å; D102-R171 PolarHBondContact OD1-NH2 2.86Å
103	K	55.3	Low	55.2	Low	85 Å²	85	48.9 Å²	48.9	37%	0.37	27%	0.272	S	S	.	.			trans	-138.9	-3.6	-166.3	-77.7	171.2	-179.4	-160	0	117.4	Q101 V337 G424 L425 V426	Q101-K103 WeakPolarHBondContact O-CB 3.42Å; Q101-K103 WeakPolarHBondContact O-CD 3.41Å; Q101-K103 WeakPolarHBondContact O-CG 3.45Å; Q101-K103 PolarHBondContact O-N 3.18Å; Q101-K103 VanDerWaalsContact O-N 3.16Å; K103-V337 HydrophobicContact CB-CB 4.05Å; K103-V337 HydrophobicContact CB-CG1 3.82Å; K103-V337 HydrophobicContact CB-CG2 3.29Å; K103-V337 HydrophobicContact CD-CG1 4.34Å; K103-G424 WeakPolarHBondContact CB-O 3.21Å; K103-G424 WeakPolarHBondContact CD-O 2.99Å; K103-G424 WeakPolarHBondContact CG-O 3.18Å; K103-L425 PolarHBondContact NZ-O 3.25Å; K103-V426 HydrophobicContact CD-CG2 3.86Å
104	I	52.5	Low	55.1	Low	13 Å²	13	54.1 Å²	54.1	7%	0.067	29%	0.286	C	S	.	.			trans	-83	143	-175.6	-151.4	151	0	0	0	113.7	E108 V109 R171 F334 P335 V337	I104-E108 HydrophobicContact CD1-CB 4.36Å; I104-E108 HydrophobicContact CG1-CB 3.96Å; I104-E108 VanDerWaalsContact CG1-OE2 3.3Å; I104-E108 WeakPolarHBondContact CG1-OE2 3.34Å; I104-V109 HydrophobicContact CG1-CG2 4.42Å; I104-V109 HydrophobicContact CG2-CG2 3.97Å; I104-R171 PolarHBondContact O-NH1 2.91Å; I104-F334 HydrophobicContact CD1-CD2 3.37Å; I104-F334 HydrophobicContact CD1-CE2 3.24Å; I104-F334 HydrophobicContact CD1-CG 4.43Å; I104-F334 HydrophobicContact CD1-CZ 4.26Å; I104-F334 HydrophobicContact CG1-CD2 4.5Å; I104-F334 HydrophobicContact CG1-CE2 4.25Å; I104-P335 HydrophobicContact CD1-CB 4.45Å; I104-P335 WeakPolarHBondContact CD1-O 3.4Å; I104-V337 HydrophobicContact CB-CG2 4.44Å
105	T	57.8	Low	55	Low	72 Å²	72	58.4 Å²	58.4	44%	0.442	32%	0.315	S	S	.	.			trans	-87.2	168.1	178.8	67.2	0	0	0	0	113.5	E108 R168	T105-E108 WeakPolarHBondContact CB-OE2 3.41Å; T105-E108 PolarHBondContact N-OE2 3.18Å; T105-E108 VanDerWaalsContact OG1-CD 3.26Å; T105-E108 VanDerWaalsContact OG1-CG 3.3Å; T105-E108 WeakPolarHBondContact OG1-CG 3.44Å; T105-E108 PolarHBondContact OG1-N 2.86Å; T105-E108 PolarHBondContact OG1-OE2 3.17Å; T105-R168 PolarHBondContact O-NH2 3.36Å; T105-R168 VanDerWaalsContact O-NH2 3.17Å
106	D	57.5	Low	54.4	Low	107 Å²	107	61 Å²	61	57%	0.572	33%	0.326	S	S	*	.	H	α-helix	trans	-67.3	-39.1	177.6	-70.8	-11.7	0	0	0	114.3	L110 R168	D106-L110 PolarHBondContact O-N 2.97Å; D106-L110 VanDerWaalsContact O-N 3.09Å; D106-R168 IonicContact OD1-CZ 2.7Å; D106-R168 IonicContact OD1-NE 2.76Å; D106-R168 PolarHBondContact OD1-NE 3.3Å; D106-R168 IonicContact OD1-NH2 2.75Å; D106-R168 PolarHBondContact OD1-NH2 2.88Å
107	E	61.2	Low	54	Low	127 Å²	127	62.9 Å²	62.9	59%	0.593	34%	0.342	S	S	*	.	H	α-helix	trans	-68	-39.9	179.6	-65.1	-56	146.4	0	0	113.4	V109 L110 T111	E107-V109 PolarHBondContact O-N 3.42Å; E107-L110 PolarHBondContact O-N 3.36Å; E107-T111 WeakPolarHBondContact O-CB 3.36Å; E107-T111 PolarHBondContact O-N 3.01Å; E107-T111 PolarHBondContact O-OG1 3.05Å
108	E	58.1	Low	53.3	Low	57 Å²	57	64.2 Å²	64.2	27%	0.266	35%	0.352	S	S	.	.	H	α-helix	trans	-64.7	-42.3	179.4	-72.2	164.4	133.9	0	0	111.9	I104 T105 T112	I104-E108 HydrophobicContact CD1-CB 4.36Å; I104-E108 HydrophobicContact CG1-CB 3.96Å; I104-E108 VanDerWaalsContact CG1-OE2 3.3Å; I104-E108 WeakPolarHBondContact CG1-OE2 3.34Å; T105-E108 WeakPolarHBondContact CB-OE2 3.41Å; T105-E108 PolarHBondContact N-OE2 3.18Å; T105-E108 VanDerWaalsContact OG1-CD 3.26Å; T105-E108 VanDerWaalsContact OG1-CG 3.3Å; T105-E108 WeakPolarHBondContact OG1-CG 3.44Å; T105-E108 PolarHBondContact OG1-N 2.86Å; T105-E108 PolarHBondContact OG1-OE2 3.17Å; E108-T112 WeakPolarHBondContact O-CB 3.46Å; E108-T112 PolarHBondContact O-N 3.29Å; E108-T112 PolarHBondContact O-OG1 3.06Å
109	V	52.7	Low	52.5	Low	7 Å²	7	69.6 Å²	69.6	4%	0.042	38%	0.38	C	S	.	.	H	α-helix	trans	-64.6	-42.8	174	174.5	0	0	0	0	110.6	I104 E107 T112 L113 T164 F334	I104-V109 HydrophobicContact CG1-CG2 4.42Å; I104-V109 HydrophobicContact CG2-CG2 3.97Å; E107-V109 PolarHBondContact O-N 3.42Å; V109-T112 PolarHBondContact O-N 2.79Å; V109-L113 HydrophobicContact CG1-CD1 4.01Å; V109-L113 HydrophobicContact CG1-CG 4.44Å; V109-L113 WeakPolarHBondContact O-CG 3.48Å; V109-L113 PolarHBondContact O-N 2.93Å; V109-T164 HydrophobicContact CG1-CG2 4.29Å; V109-F334 HydrophobicContact CB-CE2 4.01Å; V109-F334 HydrophobicContact CB-CZ 4.39Å; V109-F334 HydrophobicContact CG1-CZ 4.49Å; V109-F334 HydrophobicContact CG2-CE2 3.47Å; V109-F334 VanDerWaalsContact CG2-CE2 3.47Å; V109-F334 HydrophobicContact CG2-CZ 3.9Å
110	L	56	Low	51.6	Low	72 Å²	72	69.9 Å²	69.9	38%	0.377	40%	0.4	S	S	.	.	H	α-helix	trans	-66.2	-42.1	-179.5	-174.7	63.8	0	0	0	111.9	D106 E107 T112 L113 K114	D106-L110 PolarHBondContact O-N 2.97Å; D106-L110 VanDerWaalsContact O-N 3.09Å; E107-L110 PolarHBondContact O-N 3.36Å; L110-T112 VanDerWaalsContact C-N 3.27Å; L110-T112 PolarHBondContact O-N 2.89Å; L110-L113 PolarHBondContact O-N 3.13Å; L110-K114 WeakPolarHBondContact O-CG 3.31Å; L110-K114 PolarHBondContact O-N 2.91Å
111	T	57.9	Low	50.6	Low	86 Å²	86	73.2 Å²	73.2	53%	0.528	41%	0.409	S	S	.	.	H	α-helix	trans	-60.7	-41.1	175.5	-56.1	0	0	0	0	110.7	E107 K114 S115	E107-T111 WeakPolarHBondContact O-CB 3.36Å; E107-T111 PolarHBondContact O-N 3.01Å; E107-T111 PolarHBondContact O-OG1 3.05Å; T111-K114 PolarHBondContact O-N 3.3Å; T111-S115 PolarHBondContact O-N 2.86Å
112	T	49.3	Very low	49.5	Very low	17 Å²	17	76.9 Å²	76.9	10%	0.104	44%	0.437	C	S	.	.	H	α-helix	trans	-66.7	-45	176.9	-55.7	0	0	0	0	111.7	L91 E108 V109 L110 K114 S115 F116 F334	L91-T112 HydrophobicContact CD2-CG2 4.46Å; E108-T112 WeakPolarHBondContact O-CB 3.46Å; E108-T112 PolarHBondContact O-N 3.29Å; E108-T112 PolarHBondContact O-OG1 3.06Å; V109-T112 PolarHBondContact O-N 2.79Å; L110-T112 VanDerWaalsContact C-N 3.27Å; L110-T112 PolarHBondContact O-N 2.89Å; T112-K114 VanDerWaalsContact C-N 3.3Å; T112-K114 PolarHBondContact O-N 2.78Å; T112-S115 PolarHBondContact O-N 2.65Å; T112-S115 VanDerWaalsContact O-N 3.11Å; T112-S115 PolarHBondContact O-OG 3.18Å; T112-F116 HydrophobicContact CG2-CD2 3.58Å; T112-F116 HydrophobicContact CG2-CE2 3.3Å; T112-F116 HydrophobicContact CG2-CZ 4.47Å; T112-F116 WeakPolarHBondContact O-CD2 3.2Å; T112-F116 PolarHBondContact O-N 2.71Å; T112-F334 HydrophobicContact CG2-CB 4.02Å; T112-F334 HydrophobicContact CG2-CD1 3.34Å; T112-F334 HydrophobicContact CG2-CD2 4.33Å; T112-F334 HydrophobicContact CG2-CE1 3.85Å; T112-F334 HydrophobicContact CG2-CG 3.62Å; T112-F334 WeakPolarHBondContact OG1-CB 3.47Å; T112-F334 WeakPolarHBondContact OG1-CD2 3.17Å; T112-F334 WeakPolarHBondContact OG1-CG 3.36Å
113	L	48.9	Very low	48.1	Very low	31 Å²	31	80.2 Å²	80.2	16%	0.162	46%	0.455	C	S	.	.	H	α-helix	trans	-56.4	-45	174.3	-76.8	167.1	0	0	0	111.6	L91 V109 L110 S115 F116 S117 P162 T164	L91-L113 HydrophobicContact CD1-CD2 3.58Å; L91-L113 HydrophobicContact CD2-CD2 3.73Å; L91-L113 HydrophobicContact CD2-CG 4.33Å; L91-L113 HydrophobicContact CG-CD2 4.31Å; V109-L113 HydrophobicContact CG1-CD1 4.01Å; V109-L113 HydrophobicContact CG1-CG 4.44Å; V109-L113 WeakPolarHBondContact O-CG 3.48Å; V109-L113 PolarHBondContact O-N 2.93Å; L110-L113 PolarHBondContact O-N 3.13Å; L113-S115 VanDerWaalsContact C-N 3.34Å; L113-S115 PolarHBondContact O-N 2.71Å; L113-F116 CarbonylContact O-C 3.49Å; L113-F116 PolarHBondContact O-N 3.04Å; L113-F116 VanDerWaalsContact O-N 3.14Å; L113-S117 PolarHBondContact O-N 2.82Å; L113-S117 PolarHBondContact O-OG 2.79Å; L113-P162 HydrophobicContact CD1-CG 4.49Å; L113-P162 HydrophobicContact CD2-CB 4.3Å; L113-P162 HydrophobicContact CD2-CG 4.48Å; L113-T164 HydrophobicContact CD2-CG2 4.07Å; L113-T164 HydrophobicContact CG-CG2 4.49Å
114	K	54.5	Low	46.7	Very low	141 Å²	141	83.9 Å²	83.9	61%	0.613	48%	0.478	S	S	*	.	H	α-helix	trans	-61.1	-40.1	175.7	-72.4	173.2	178.6	175.4	0	112.4	L110 T111 T112 F116 S117	L110-K114 WeakPolarHBondContact O-CG 3.31Å; L110-K114 PolarHBondContact O-N 2.91Å; T111-K114 PolarHBondContact O-N 3.3Å; T112-K114 VanDerWaalsContact C-N 3.3Å; T112-K114 PolarHBondContact O-N 2.78Å; K114-F116 PolarHBondContact O-N 3.46Å; K114-S117 WeakPolarHBondContact O-CB 3.38Å; K114-S117 PolarHBondContact O-N 3.22Å
115	S	52.9	Low	45.4	Very low	92 Å²	92	88.2 Å²	88.2	64%	0.643	51%	0.509	S	S	*	.	H	α-helix	trans	-66.2	-26.8	177	76.2	0	0	0	0	113.2	T111 T112 L113	T111-S115 PolarHBondContact O-N 2.86Å; T112-S115 PolarHBondContact O-N 2.65Å; T112-S115 VanDerWaalsContact O-N 3.11Å; T112-S115 PolarHBondContact O-OG 3.18Å; L113-S115 VanDerWaalsContact C-N 3.34Å; L113-S115 PolarHBondContact O-N 2.71Å
116	F	45.3	Very low	43.8	Very low	62 Å²	62	92.7 Å²	92.7	27%	0.272	53%	0.531	S	S	.	.	H	α-helix	trans	-89.1	-18.2	177.5	-80.5	-58.3	0	0	0	113.8	T87 V90 L91 T112 L113 K114 V118	T87-F116 HydrophobicContact CG2-CB 3.57Å; T87-F116 HydrophobicContact CG2-CD1 3.8Å; T87-F116 HydrophobicContact CG2-CG 3.75Å; V90-F116 HydrophobicContact CB-CZ 4.35Å; V90-F116 HydrophobicContact CG1-CE1 4.19Å; V90-F116 HydrophobicContact CG1-CE2 4.15Å; V90-F116 HydrophobicContact CG1-CZ 3.52Å; L91-F116 HydrophobicContact CD2-CD2 3.74Å; L91-F116 HydrophobicContact CD2-CE2 4.05Å; L91-F116 HydrophobicContact CG-CD2 4.17Å; L91-F116 HydrophobicContact CG-CE2 4.49Å; T112-F116 HydrophobicContact CG2-CD2 3.58Å; T112-F116 HydrophobicContact CG2-CE2 3.3Å; T112-F116 HydrophobicContact CG2-CZ 4.47Å; T112-F116 WeakPolarHBondContact O-CD2 3.2Å; T112-F116 PolarHBondContact O-N 2.71Å; L113-F116 CarbonylContact O-C 3.49Å; L113-F116 PolarHBondContact O-N 3.04Å; L113-F116 VanDerWaalsContact O-N 3.14Å; K114-F116 PolarHBondContact O-N 3.46Å; F116-V118 PolarHBondContact O-N 3.44Å
117	S	46.9	Very low	42.3	Very low	76 Å²	76	97.2 Å²	97.2	53%	0.531	55%	0.545	S	S	.	.			trans	-50.6	104.1	178.3	-70.9	0	0	0	0	108.8	L113 K114 N119	L113-S117 PolarHBondContact O-N 2.82Å; L113-S117 PolarHBondContact O-OG 2.79Å; K114-S117 WeakPolarHBondContact O-CB 3.38Å; K114-S117 PolarHBondContact O-N 3.22Å; S117-N119 PolarHBondContact O-N 2.76Å
118	V	41.2	Very low	40.7	Very low	60 Å²	60	96.6 Å²	96.6	36%	0.364	56%	0.555	S	S	.	*			trans	-64.2	109.5	169.1	-176	0	0	0	0	103.8	F116 G120	F116-V118 PolarHBondContact O-N 3.44Å; V118-G120 PolarHBondContact O-N 3.5Å; V118-G120 VanDerWaalsContact O-N 3.12Å
119	N	36.8	Very low	39.1	Very low	118 Å²	118	99.5 Å²	99.5	63%	0.631	58%	0.581	S	S	*	*			trans	-40.5	127.2	169	-76.3	4	0	0	0	107.7	S117 D121	S117-N119 PolarHBondContact O-N 2.76Å; N119-D121 HydrophobicContact CB-CB 4.45Å; N119-D121 WeakPolarHBondContact CB-OD2 3.33Å; N119-D121 PolarHBondContact ND2-OD2 2.88Å; N119-D121 PolarHBondContact O-N 2.81Å
120	G	35	Very low	37.8	Very low	68 Å²	68	104.4 Å²	104.4	70%	0.701	62%	0.616	S	S	*	*			trans	-66.7	34.3	176.5	0	0	0	0	0	113.1	V118 S122	V118-G120 PolarHBondContact O-N 3.5Å; V118-G120 VanDerWaalsContact O-N 3.12Å; G120-S122 PolarHBondContact O-N 2.79Å
121	D	31.7	Very low	36.3	Very low	139 Å²	139	109.8 Å²	109.8	74%	0.743	64%	0.637	S	S	*	*			trans	-77	59.8	176.6	-63.5	-28.3	0	0	0	109.3	N119	N119-D121 HydrophobicContact CB-CB 4.45Å; N119-D121 WeakPolarHBondContact CB-OD2 3.33Å; N119-D121 PolarHBondContact ND2-OD2 2.88Å; N119-D121 PolarHBondContact O-N 2.81Å
122	S	31.5	Very low	34.6	Very low	97 Å²	97	111.1 Å²	111.1	68%	0.678	65%	0.645	S	S	*	*			trans	-143.2	42.1	165.2	77.2	0	0	0	0	111.3	G120	G120-S122 PolarHBondContact O-N 2.79Å
123	N	26.8	Very low	33.5	Very low	158 Å²	158	115.5 Å²	115.5	85%	0.845	67%	0.671	S	S	*	*	S	Bend	trans	-104.7	29.3	166.6	-98.6	3.4	0	0	0	112.5
124	N	25.8	Very low	32.3	Very low	162 Å²	162	119.9 Å²	119.9	87%	0.866	70%	0.699	S	S	*	*	S	Bend	trans	-151.1	63.1	170.7	-141.4	4.3	0	0	0	114.2
125	S	24.9	Very low	31	Very low	103 Å²	103	121.2 Å²	121.2	72%	0.72	71%	0.707	S	S	*	*			trans	-152.6	54.8	158.5	70.6	0	0	0	0	112	K127	S125-K127 PolarHBondContact O-N 2.98Å
126	N	25.3	Very low	29.8	Very low	166 Å²	166	123.7 Å²	123.7	89%	0.888	71%	0.713	S	S	*	*			trans	-72.6	82.3	156.7	-78.8	-15.6	0	0	0	108.5
127	K	26.8	Very low	28.7	Very low	202 Å²	202	128.3 Å²	128.3	88%	0.878	74%	0.741	S	S	*	*			trans	-128.8	67.2	155.5	-96.3	-176	177.2	176.4	0	107.5	S125 S129	S125-K127 PolarHBondContact O-N 2.98Å; K127-S129 PolarHBondContact O-N 3Å
128	S	27	Very low	27.8	Very low	115 Å²	115	131.3 Å²	131.3	80%	0.804	76%	0.756	S	S	*	*			trans	-64.1	113.7	157.2	55.2	0	0	0	0	107.3	S130	S128-S130 PolarHBondContact O-N 3.1Å
129	S	24.5	Very low	27	Very low	117 Å²	117	135.4 Å²	135.4	82%	0.818	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-52.3	123.5	169.9	52.5	0	0	0	0	110	K127 F131	K127-S129 PolarHBondContact O-N 3Å; S129-F131 PolarHBondContact O-N 2.87Å
130	S	26	Very low	26.8	Very low	110 Å²	110	139 Å²	139	77%	0.769	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-54.7	123.3	-178.7	52.9	0	0	0	0	113.5	S128	S128-S130 PolarHBondContact O-N 3.1Å
131	F	22.7	Very low	26.4	Very low	186 Å²	186	144.4 Å²	144.4	82%	0.816	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-86.1	126.4	155.3	-179.8	-105.5	0	0	0	107.9	S129 V133	S129-F131 PolarHBondContact O-N 2.87Å; F131-V133 HydrophobicContact CD1-CG2 3.91Å; F131-V133 HydrophobicContact CE1-CG2 3.48Å; F131-V133 VanDerWaalsContact CE1-CG2 3.48Å; F131-V133 HydrophobicContact CZ-CG2 4.39Å; F131-V133 PolarHBondContact O-N 3.39Å
132	V	23.2	Very low	26	Very low	114 Å²	114	145 Å²	145	69%	0.691	80%	0.798	S	S	*	*			trans	-79.5	112	-177.2	174.5	0	0	0	0	109.2	V134	V132-V134 HydrophobicContact CG1-CG2 4.31Å
133	V	27	Very low	26.1	Very low	108 Å²	108	147 Å²	147	66%	0.655	81%	0.806	S	S	*	*			trans	-133.2	112.4	153.3	-179.6	0	0	0	0	107.1	F131	F131-V133 HydrophobicContact CD1-CG2 3.91Å; F131-V133 HydrophobicContact CE1-CG2 3.48Å; F131-V133 VanDerWaalsContact CE1-CG2 3.48Å; F131-V133 HydrophobicContact CZ-CG2 4.39Å; F131-V133 PolarHBondContact O-N 3.39Å
134	V	22.3	Very low	25.8	Very low	124 Å²	124	145.4 Å²	145.4	75%	0.752	81%	0.806	S	S	*	*			trans	-78.4	116.9	173.2	171.6	0	0	0	0	106.9	V132	V132-V134 HydrophobicContact CG1-CG2 4.31Å
135	E	28.3	Very low	26.1	Very low	169 Å²	169	142.6 Å²	142.6	79%	0.79	80%	0.799	S	S	*	*			trans	-152.5	105.2	157.6	-113.1	169	-153.4	0	0	110.6
136	N	27.7	Very low	26.4	Very low	143 Å²	143	143.1 Å²	143.1	77%	0.765	80%	0.8	S	S	*	*			trans	50.1	104.2	146.3	-61	-18.2	0	0	0	120.2	T138	N136-T138 PolarHBondContact O-N 3.08Å
137	N	21.7	Very low	26.6	Very low	160 Å²	160	142 Å²	142	86%	0.856	80%	0.799	S	S	*	*			trans	-47.5	127.5	154.9	-68.4	-14.8	0	0	0	112
138	T	28.1	Very low	26.7	Very low	138 Å²	138	139.8 Å²	139.8	85%	0.847	79%	0.791	S	S	*	*			trans	-135.6	122.7	149.6	-30.5	0	0	0	0	107.4	N136	N136-T138 PolarHBondContact O-N 3.08Å
139	I	24.9	Very low	26.7	Very low	147 Å²	147	140.9 Å²	140.9	75%	0.754	79%	0.788	S	S	*	*			trans	-89.4	122.3	-175.5	-64.9	158.4	0	0	0	106.6
140	E	31.3	Very low	26.8	Very low	192 Å²	192	144.3 Å²	144.3	90%	0.897	78%	0.783	S	S	*	*			trans	-147.8	109.1	151.7	-71.6	-160.6	169.7	0	0	111.2
141	E	27.5	Very low	27	Very low	182 Å²	182	144.7 Å²	144.7	85%	0.85	78%	0.781	S	S	*	*			trans	18	124.3	146.6	-62	-178.2	164.6	0	0	123.1
142	D	23.7	Very low	27.2	Very low	153 Å²	153	145.4 Å²	145.4	82%	0.818	78%	0.778	S	S	*	*			trans	23.1	116.9	130.9	-87.5	-25.2	0	0	0	120.1
143	T	32.6	Very low	27.4	Very low	137 Å²	137	146.9 Å²	146.9	84%	0.84	78%	0.782	S	S	*	*			trans	-148.8	105.3	131.7	-44.8	0	0	0	0	110.1
144	C	21.6	Very low	27.7	Very low	126 Å²	126	150.2 Å²	150.2	85%	0.851	79%	0.791	S	S	*	*			trans	-68.5	124	169.6	-176.9	0	0	0	0	109.9
145	S	31.7	Very low	27.9	Very low	102 Å²	102	151.2 Å²	151.2	71%	0.713	79%	0.787	S	S	*	*			trans	-135	146.8	165.8	65.7	0	0	0	0	110.1
146	P	30.3	Very low	28.1	Very low	115 Å²	115	148.4 Å²	148.4	75%	0.747	79%	0.785	S	S	*	*			trans	-86.4	142.6	-146.3	33	-33.4	0	0	0	113.1	E148	P146-E148 PolarHBondContact O-N 2.94Å
147	V	28.9	Very low	28.3	Very low	143 Å²	143	148.7 Å²	148.7	87%	0.867	78%	0.782	S	S	*	*			trans	-21.3	90	163	-172	0	0	0	0	113.6
148	E	30.3	Very low	29.1	Very low	154 Å²	154	146.4 Å²	146.4	72%	0.72	78%	0.778	S	S	*	*			trans	-79.9	118.4	158.2	-83.8	-172	165.3	0	0	108.2	P146 R150	P146-E148 PolarHBondContact O-N 2.94Å; E148-R150 PolarHBondContact O-N 3.25Å
149	D	25.4	Very low	29.4	Very low	138 Å²	138	148.9 Å²	148.9	74%	0.738	77%	0.772	S	S	*	*			trans	-62.7	72.1	179.1	-161	5.4	0	0	0	110.9	T151	D149-T151 PolarHBondContact O-N 2.8Å
150	R	27.3	Very low	30.3	Very low	190 Å²	190	146.3 Å²	146.3	72%	0.717	76%	0.76	S	S	*	*			trans	-76.4	76	170.4	-70.7	-176.2	-179.5	-178.5	0.8	107.8	E148 R152	E148-R150 PolarHBondContact O-N 3.25Å; R150-R152 PolarHBondContact O-N 2.99Å
151	T	29.8	Very low	30.9	Very low	118 Å²	118	140.2 Å²	140.2	72%	0.724	74%	0.737	S	S	*	*			trans	-62	64.8	143.1	45.3	0	0	0	0	107.7	D149 N153	D149-T151 PolarHBondContact O-N 2.8Å; T151-N153 PolarHBondContact O-N 3.41Å
152	R	27.2	Very low	32.2	Very low	200 Å²	200	133.8 Å²	133.8	76%	0.755	71%	0.711	S	S	*	*			trans	-64.8	97	166.1	-150.3	175.6	-171.6	-178.5	-0.1	102.2	R150 E154	R150-R152 PolarHBondContact O-N 2.99Å; R152-E154 PolarHBondContact O-N 3.5Å
153	N	28.6	Very low	33.5	Very low	145 Å²	145	127.4 Å²	127.4	78%	0.775	68%	0.677	S	S	*	*			trans	-37.6	101.9	148.6	-98	-25.9	0	0	0	103.6	T151 H155	T151-N153 PolarHBondContact O-N 3.41Å; N153-H155 PolarHBondContact O-N 3.12Å
154	E	31.5	Very low	34.3	Very low	178 Å²	178	121 Å²	121	83%	0.832	64%	0.637	S	S	*	*			trans	-64.2	81.2	164.5	-74.4	-174.6	165.2	0	0	103.3	R152 C156	R152-E154 PolarHBondContact O-N 3.5Å; E154-C156 VanDerWaalsContact C-N 3.33Å; E154-C156 PolarHBondContact O-N 3.16Å
155	H	27.5	Very low	35.9	Very low	146 Å²	146	118.5 Å²	118.5	68%	0.676	62%	0.616	S	S	*	*			trans	-39.5	110.9	157.3	-126.3	-82.3	0	0	0	102.7	N153 E157	N153-H155 PolarHBondContact O-N 3.12Å; H155-E157 HydrophobicContact CB-CG 4.15Å; H155-E157 PolarHBondContact O-N 3.16Å
156	C	32.5	Very low	37	Very low	110 Å²	110	115.7 Å²	115.7	74%	0.743	59%	0.591	S	S	*	*			trans	-65.6	72.8	-179.6	-171.7	0	0	0	0	106.6	E154	E154-C156 VanDerWaalsContact C-N 3.33Å; E154-C156 PolarHBondContact O-N 3.16Å
157	E	31.1	Very low	38	Very low	148 Å²	148	110.7 Å²	110.7	69%	0.692	56%	0.559	S	S	*	*			trans	-82.5	129.6	-177.9	-86.3	-179.4	-173	0	0	106.7	H155	H155-E157 HydrophobicContact CB-CG 4.15Å; H155-E157 PolarHBondContact O-N 3.16Å
158	S	38.8	Very low	39.4	Very low	113 Å²	113	106.3 Å²	106.3	79%	0.79	53%	0.526	S	S	*	.			trans	80	22.5	162.4	84.2	0	0	0	0	119.3	D160	S158-D160 PolarHBondContact O-N 3.13Å
159	W	35.1	Very low	40.9	Very low	189 Å²	189	104.1 Å²	104.1	72%	0.716	52%	0.516	S	S	*	.			trans	-78.3	83.2	149.8	-67.6	73.8	0	0	0	107	L84	L84-W159 HydrophobicContact CD1-CZ3 4.25Å
160	D	43.9	Very low	42.2	Very low	93 Å²	93	101.5 Å²	101.5	50%	0.497	50%	0.502	S	S	.	.			trans	-38.8	126.1	164.9	-103.7	-38.1	0	0	0	107.6	L74 S158 P162	L74-D160 HydrophobicContact CD2-CB 3.66Å; L74-D160 VanDerWaalsContact CD2-CG 3.44Å; L74-D160 WeakPolarHBondContact CD2-OD2 3.29Å; L74-D160 WeakPolarHBondContact CG-OD2 3.3Å; S158-D160 PolarHBondContact O-N 3.13Å; D160-P162 VanDerWaalsContact O-N 3.15Å
161	P	43.6	Very low	43.6	Very low	64 Å²	64	94.6 Å²	94.6	42%	0.416	48%	0.476	S	S	.	.			trans	-51.8	127.4	-159.8	17.2	-30.6	0	0	0	108.8	L163 L165	P161-L163 PolarHBondContact O-N 3Å; P161-L165 HydrophobicContact CB-CB 3.92Å; P161-L165 HydrophobicContact CB-CD1 3.57Å; P161-L165 HydrophobicContact CB-CG 4.35Å
162	P	55.7	Low	45	Very low	48 Å²	48	95.6 Å²	95.6	31%	0.312	47%	0.47	S	S	.	.			trans	-50.8	142.8	-174.6	18.3	-31.6	0	0	0	108.6	L113 D160 T164 L165	L113-P162 HydrophobicContact CD1-CG 4.49Å; L113-P162 HydrophobicContact CD2-CB 4.3Å; L113-P162 HydrophobicContact CD2-CG 4.48Å; D160-P162 VanDerWaalsContact O-N 3.15Å; P162-T164 WeakPolarHBondContact CB-OG1 3.29Å; P162-T164 CarbonylContact O-C 3.57Å; P162-T164 PolarHBondContact O-N 3.5Å; P162-T164 PolarHBondContact O-OG1 3.27Å; P162-L165 HydrophobicContact CG-CD1 4.48Å; P162-L165 HydrophobicContact CG-CG 4.39Å; P162-L165 PolarHBondContact O-N 2.65Å
163	L	49.2	Very low	46.3	Very low	18 Å²	18	89.2 Å²	89.2	9%	0.094	45%	0.453	C	S	.	.	H	α-helix	trans	-44.1	-27.3	-177.4	-175	56.8	0	0	0	113.4	L67 Y71 L92 P161 M166 I167	L67-L163 HydrophobicContact CD2-CD1 3.89Å; Y71-L163 HydrophobicContact CD2-CD2 4.11Å; L92-L163 HydrophobicContact CB-CD2 3.73Å; L92-L163 HydrophobicContact CD1-CD2 3.84Å; L92-L163 HydrophobicContact CD1-CG 4.2Å; L92-L163 HydrophobicContact CD2-CD2 4.12Å; L92-L163 HydrophobicContact CG-CD2 4.08Å; P161-L163 PolarHBondContact O-N 3Å; L163-M166 PolarHBondContact O-N 2.9Å; L163-I167 HydrophobicContact CG-CD1 4.09Å; L163-I167 WeakPolarHBondContact O-CD1 3.27Å; L163-I167 VanDerWaalsContact O-CG1 3.25Å; L163-I167 WeakPolarHBondContact O-CG1 3.25Å; L163-I167 PolarHBondContact O-N 3.46Å
164	T	51.1	Low	47.3	Very low	2 Å²	2	86.1 Å²	86.1	1%	0.012	43%	0.431	C	S	.	.	H	α-helix	trans	-55	-45.7	168.4	48.5	0	0	0	0	114.6	L91 S95 V109 L113 P162 I167 R168	L91-T164 HydrophobicContact CB-CG2 4.1Å; L91-T164 HydrophobicContact CD2-CG2 4.05Å; S95-T164 WeakPolarHBondContact OG-CG2 3.2Å; V109-T164 HydrophobicContact CG1-CG2 4.29Å; L113-T164 HydrophobicContact CD2-CG2 4.07Å; L113-T164 HydrophobicContact CG-CG2 4.49Å; P162-T164 WeakPolarHBondContact CB-OG1 3.29Å; P162-T164 CarbonylContact O-C 3.57Å; P162-T164 PolarHBondContact O-N 3.5Å; P162-T164 PolarHBondContact O-OG1 3.27Å; T164-I167 PolarHBondContact O-N 2.91Å; T164-R168 PolarHBondContact O-N 3.44Å
165	L	55.1	Low	48.3	Very low	75 Å²	75	80.5 Å²	80.5	39%	0.393	41%	0.407	S	S	.	.	H	α-helix	trans	-65.8	-42.1	176.4	-76.4	-177.8	0	0	0	111.5	P161 P162 I167 R168 E169	P161-L165 HydrophobicContact CB-CB 3.92Å; P161-L165 HydrophobicContact CB-CD1 3.57Å; P161-L165 HydrophobicContact CB-CG 4.35Å; P162-L165 HydrophobicContact CG-CD1 4.48Å; P162-L165 HydrophobicContact CG-CG 4.39Å; P162-L165 PolarHBondContact O-N 2.65Å; L165-I167 VanDerWaalsContact C-N 3.26Å; L165-I167 PolarHBondContact O-N 3.49Å; L165-R168 WeakPolarHBondContact O-CB 3.44Å; L165-R168 PolarHBondContact O-N 3.07Å; L165-E169 PolarHBondContact O-N 3.47Å
166	M	53.7	Low	49.7	Very low	42 Å²	42	78.6 Å²	78.6	21%	0.207	40%	0.401	C	S	.	.	H	α-helix	trans	-59.6	-40.6	173	-79.1	-176.5	46.4	0	0	111.6	L67 K70 L163 E169 L170	L67-M166 HydrophobicContact CD2-CE 4.06Å; K70-M166 HydrophobicContact CB-CE 4.46Å; K70-M166 HydrophobicContact CD-CE 3.53Å; K70-M166 HydrophobicContact CD-SD 4.32Å; K70-M166 HydrophobicContact CG-CE 4Å; L163-M166 PolarHBondContact O-N 2.9Å; M166-E169 PolarHBondContact O-N 2.98Å; M166-L170 WeakPolarHBondContact O-CB 3.46Å; M166-L170 VanDerWaalsContact O-CG 3.28Å; M166-L170 WeakPolarHBondContact O-CG 3.24Å; M166-L170 PolarHBondContact O-N 2.92Å
167	I	52.8	Low	50.5	Low	11 Å²	11	81 Å²	81	6%	0.056	40%	0.395	C	S	.	.	H	α-helix	trans	-70.9	-35.7	177.8	-65.6	165.6	0	0	0	111.1	L67 L92 L163 T164 L165 L170 R171	L67-I167 HydrophobicContact CD1-CG1 4.37Å; L67-I167 HydrophobicContact CD2-CG1 4.18Å; L92-I167 HydrophobicContact CD1-CD1 3.6Å; L163-I167 HydrophobicContact CG-CD1 4.09Å; L163-I167 WeakPolarHBondContact O-CD1 3.27Å; L163-I167 VanDerWaalsContact O-CG1 3.25Å; L163-I167 WeakPolarHBondContact O-CG1 3.25Å; L163-I167 PolarHBondContact O-N 3.46Å; T164-I167 PolarHBondContact O-N 2.91Å; L165-I167 VanDerWaalsContact C-N 3.26Å; L165-I167 PolarHBondContact O-N 3.49Å; I167-L170 PolarHBondContact O-N 3.41Å; I167-R171 WeakPolarHBondContact O-CB 3.34Å; I167-R171 PolarHBondContact O-N 2.91Å
168	R	57.6	Low	51.1	Low	50 Å²	50	77.3 Å²	77.3	19%	0.189	38%	0.379	C	S	.	.	H	α-helix	trans	-59.8	-49	170.4	-87.4	-173.5	145.7	92.6	46.6	112.3	T105 D106 T164 L165 L170 R171 K172	T105-R168 PolarHBondContact O-NH2 3.36Å; T105-R168 VanDerWaalsContact O-NH2 3.17Å; D106-R168 IonicContact OD1-CZ 2.7Å; D106-R168 IonicContact OD1-NE 2.76Å; D106-R168 PolarHBondContact OD1-NE 3.3Å; D106-R168 IonicContact OD1-NH2 2.75Å; D106-R168 PolarHBondContact OD1-NH2 2.88Å; T164-R168 PolarHBondContact O-N 3.44Å; L165-R168 WeakPolarHBondContact O-CB 3.44Å; L165-R168 PolarHBondContact O-N 3.07Å; R168-L170 VanDerWaalsContact C-N 3.31Å; R168-L170 PolarHBondContact O-N 3.38Å; R168-R171 CarbonylContact O-C 3.55Å; R168-R171 WeakPolarHBondContact O-CB 3.47Å; R168-R171 PolarHBondContact O-N 3.16Å; R168-R171 VanDerWaalsContact O-N 3.11Å; R168-K172 WeakPolarHBondContact O-CB 3.07Å; R168-K172 PolarHBondContact O-N 2.91Å
169	E	61.1	Low	51.6	Low	108 Å²	108	74.4 Å²	74.4	51%	0.505	36%	0.359	S	S	.	.	H	α-helix	trans	-63.8	-39.6	178.7	-74.1	-55.7	139	0	0	111.3	L165 M166 R171 K172 T173	L165-E169 PolarHBondContact O-N 3.47Å; M166-E169 PolarHBondContact O-N 2.98Å; E169-R171 PolarHBondContact O-N 2.72Å; E169-K172 PolarHBondContact O-N 2.78Å; E169-T173 VanDerWaalsContact O-CB 3.27Å; E169-T173 WeakPolarHBondContact O-CB 3.11Å; E169-T173 PolarHBondContact O-N 2.83Å; E169-T173 PolarHBondContact O-OG1 2.85Å
170	L	52.8	Low	52.2	Low	84 Å²	84	72 Å²	72	44%	0.44	36%	0.357	S	S	.	.	H	α-helix	trans	-60.7	-43.5	171.3	-76.4	169.2	0	0	0	111.7	L67 M166 I167 R168 T173 Y174	L67-L170 HydrophobicContact CD2-CD1 4.02Å; M166-L170 WeakPolarHBondContact O-CB 3.46Å; M166-L170 VanDerWaalsContact O-CG 3.28Å; M166-L170 WeakPolarHBondContact O-CG 3.24Å; M166-L170 PolarHBondContact O-N 2.92Å; I167-L170 PolarHBondContact O-N 3.41Å; R168-L170 VanDerWaalsContact C-N 3.31Å; R168-L170 PolarHBondContact O-N 3.38Å; L170-T173 PolarHBondContact O-N 3.49Å; L170-Y174 VanDerWaalsContact O-CB 3.27Å; L170-Y174 WeakPolarHBondContact O-CB 3.45Å; L170-Y174 PolarHBondContact O-N 2.87Å
171	R	57.7	Low	52.3	Low	44 Å²	44	75.3 Å²	75.3	17%	0.166	37%	0.367	C	S	.	.	H	α-helix	trans	-64.6	-48.6	177.2	-173.7	178.8	177.8	-156.4	-7.5	111.7	F99 D102 I104 I167 R168 E169 T173 Y174 L175	F99-R171 HydrophobicContact CD2-CB 4.04Å; F99-R171 HydrophobicContact CD2-CG 4.15Å; F99-R171 HydrophobicContact CE2-CB 4.29Å; F99-R171 HydrophobicContact CE2-CG 4.42Å; D102-R171 PolarHBondContact O-NH2 3.44Å; D102-R171 IonicContact OD1-CZ 3.46Å; D102-R171 IonicContact OD1-NE 3.84Å; D102-R171 PolarHBondContact OD1-NE 3.4Å; D102-R171 IonicContact OD1-NH2 3.54Å; D102-R171 PolarHBondContact OD1-NH2 2.86Å; I104-R171 PolarHBondContact O-NH1 2.91Å; I167-R171 WeakPolarHBondContact O-CB 3.34Å; I167-R171 PolarHBondContact O-N 2.91Å; R168-R171 CarbonylContact O-C 3.55Å; R168-R171 WeakPolarHBondContact O-CB 3.47Å; R168-R171 PolarHBondContact O-N 3.16Å; R168-R171 VanDerWaalsContact O-N 3.11Å; E169-R171 PolarHBondContact O-N 2.72Å; R171-T173 VanDerWaalsContact C-N 3.29Å; R171-T173 PolarHBondContact O-N 3.16Å; R171-Y174 WeakPolarHBondContact O-CB 3.42Å; R171-Y174 PolarHBondContact O-N 3.39Å; R171-Y174 VanDerWaalsContact O-N 3.09Å; R171-L175 HydrophobicContact CG-CD1 3.99Å; R171-L175 HydrophobicContact CG-CG 4.28Å; R171-L175 WeakPolarHBondContact O-CG 3.5Å; R171-L175 PolarHBondContact O-N 3.22Å
172	K	58.4	Low	52.2	Low	139 Å²	139	75.6 Å²	75.6	60%	0.604	37%	0.371	S	S	*	.	H	α-helix	trans	-57.5	-45.5	177	-173.8	178.1	180	180	0	110.5	R168 E169 Y174 N176	R168-K172 WeakPolarHBondContact O-CB 3.07Å; R168-K172 PolarHBondContact O-N 2.91Å; E169-K172 PolarHBondContact O-N 2.78Å; K172-Y174 VanDerWaalsContact C-N 3.34Å; K172-Y174 PolarHBondContact O-N 3.23Å; K172-N176 WeakPolarHBondContact O-CB 3.5Å; K172-N176 PolarHBondContact O-N 3.1Å
173	T	55.2	Low	51.5	Low	66 Å²	66	80.1 Å²	80.1	41%	0.405	39%	0.388	S	S	.	.	H	α-helix	trans	-61.4	-42.3	175.2	-57	0	0	0	0	111.8	E169 L170 R171 R177	E169-T173 VanDerWaalsContact O-CB 3.27Å; E169-T173 WeakPolarHBondContact O-CB 3.11Å; E169-T173 PolarHBondContact O-N 2.83Å; E169-T173 PolarHBondContact O-OG1 2.85Å; L170-T173 PolarHBondContact O-N 3.49Å; R171-T173 VanDerWaalsContact C-N 3.29Å; R171-T173 PolarHBondContact O-N 3.16Å; T173-R177 VanDerWaalsContact O-CG 3.31Å; T173-R177 WeakPolarHBondContact O-CG 3.26Å; T173-R177 PolarHBondContact O-N 3.43Å
174	Y	48.6	Very low	51.2	Low	80 Å²	80	83.5 Å²	83.5	31%	0.314	41%	0.411	S	S	.	.	H	α-helix	trans	-65.9	-50.3	178.8	176	-106	0	0	0	112.6	F54 F99 L170 R171 K172 N176 R177 I178	F54-Y174 AromaticContact CD1-CE2 3.97Å; F54-Y174 HydrophobicContact CD1-CE2 3.97Å; F54-Y174 HydrophobicContact CE1-CE2 4.41Å; F99-Y174 HydrophobicContact CE2-CD1 4.12Å; F99-Y174 HydrophobicContact CE2-CG 4.34Å; F99-Y174 AromaticContact CZ-CD1 3.94Å; F99-Y174 HydrophobicContact CZ-CD1 3.94Å; F99-Y174 HydrophobicContact CZ-CE1 4.18Å; F99-Y174 HydrophobicContact CZ-CG 4.14Å; L170-Y174 VanDerWaalsContact O-CB 3.27Å; L170-Y174 WeakPolarHBondContact O-CB 3.45Å; L170-Y174 PolarHBondContact O-N 2.87Å; R171-Y174 WeakPolarHBondContact O-CB 3.42Å; R171-Y174 PolarHBondContact O-N 3.39Å; R171-Y174 VanDerWaalsContact O-N 3.09Å; K172-Y174 VanDerWaalsContact C-N 3.34Å; K172-Y174 PolarHBondContact O-N 3.23Å; Y174-N176 VanDerWaalsContact C-N 3.34Å; Y174-N176 PolarHBondContact O-N 2.94Å; Y174-R177 WeakPolarHBondContact O-CB 3.45Å; Y174-R177 PolarHBondContact O-N 2.71Å; Y174-R177 VanDerWaalsContact O-N 3.15Å; Y174-I178 HydrophobicContact CD1-CD1 3.68Å; Y174-I178 HydrophobicContact CE1-CD1 3.13Å; Y174-I178 HydrophobicContact CE1-CG1 4.23Å; Y174-I178 HydrophobicContact CE2-CD1 4.07Å; Y174-I178 HydrophobicContact CE2-CG1 4.39Å; Y174-I178 HydrophobicContact CG-CD1 4.36Å; Y174-I178 PolarHBondContact O-N 2.87Å
175	L	53.6	Low	50.4	Low	61 Å²	61	90.8 Å²	90.8	32%	0.319	46%	0.455	S	S	.	.	H	α-helix	trans	-62.1	-41.6	177.5	-72	176.3	0	0	0	111.5	R171 R177 I178 S179	R171-L175 HydrophobicContact CG-CD1 3.99Å; R171-L175 HydrophobicContact CG-CG 4.28Å; R171-L175 WeakPolarHBondContact O-CG 3.5Å; R171-L175 PolarHBondContact O-N 3.22Å; L175-R177 VanDerWaalsContact C-N 3.28Å; L175-R177 PolarHBondContact O-N 2.93Å; L175-I178 HydrophobicContact CD2-CD1 4.43Å; L175-I178 PolarHBondContact O-N 3.34Å; L175-S179 PolarHBondContact O-N 2.84Å
176	N	57.1	Low	49.6	Very low	105 Å²	105	92.6 Å²	92.6	56%	0.561	47%	0.47	S	S	*	.	H	α-helix	trans	-60.1	-42.7	175.9	-156.1	20.6	0	0	0	110.3	K172 Y174 S179 M180	K172-N176 WeakPolarHBondContact O-CB 3.5Å; K172-N176 PolarHBondContact O-N 3.1Å; Y174-N176 VanDerWaalsContact C-N 3.34Å; Y174-N176 PolarHBondContact O-N 2.94Å; N176-S179 PolarHBondContact O-N 2.96Å; N176-S179 PolarHBondContact O-OG 2.82Å; N176-M180 WeakPolarHBondContact O-CG 3.34Å; N176-M180 PolarHBondContact O-N 2.8Å
177	R	47.9	Very low	48.5	Very low	162 Å²	162	98.7 Å²	98.7	61%	0.611	50%	0.498	S	S	*	.	H	α-helix	trans	-64.3	-41.8	174.2	-73.6	179.2	-178.1	-152	-0.5	113.1	T173 Y174 L175 S179 M180 F181	T173-R177 VanDerWaalsContact O-CG 3.31Å; T173-R177 WeakPolarHBondContact O-CG 3.26Å; T173-R177 PolarHBondContact O-N 3.43Å; Y174-R177 WeakPolarHBondContact O-CB 3.45Å; Y174-R177 PolarHBondContact O-N 2.71Å; Y174-R177 VanDerWaalsContact O-N 3.15Å; L175-R177 VanDerWaalsContact C-N 3.28Å; L175-R177 PolarHBondContact O-N 2.93Å; R177-S179 VanDerWaalsContact C-N 3.31Å; R177-S179 PolarHBondContact O-N 2.87Å; R177-M180 WeakPolarHBondContact O-CB 3.41Å; R177-M180 PolarHBondContact O-N 2.77Å; R177-F181 WeakPolarHBondContact O-CD2 3.28Å
178	I	45	Very low	47.4	Very low	70 Å²	70	103.9 Å²	103.9	36%	0.359	53%	0.532	S	S	.	.	H	α-helix	trans	-60.8	-42.6	174.9	-70	165.8	0	0	0	111.1	Y174 L175 M180 F181 S182	Y174-I178 HydrophobicContact CD1-CD1 3.68Å; Y174-I178 HydrophobicContact CE1-CD1 3.13Å; Y174-I178 HydrophobicContact CE1-CG1 4.23Å; Y174-I178 HydrophobicContact CE2-CD1 4.07Å; Y174-I178 HydrophobicContact CE2-CG1 4.39Å; Y174-I178 HydrophobicContact CG-CD1 4.36Å; Y174-I178 PolarHBondContact O-N 2.87Å; L175-I178 HydrophobicContact CD2-CD1 4.43Å; L175-I178 PolarHBondContact O-N 3.34Å; I178-M180 PolarHBondContact O-N 3.41Å; I178-F181 PolarHBondContact O-N 3.15Å; I178-S182 PolarHBondContact O-N 3.04Å; I178-S182 PolarHBondContact O-OG 3.18Å
179	S	48.3	Very low	46.1	Very low	51 Å²	51	107.5 Å²	107.5	36%	0.357	56%	0.559	S	S	.	*	H	α-helix	trans	-58.8	-38.8	180	79.7	0	0	0	0	111.4	L175 N176 R177 F181 S182 H183	L175-S179 PolarHBondContact O-N 2.84Å; N176-S179 PolarHBondContact O-N 2.96Å; N176-S179 PolarHBondContact O-OG 2.82Å; R177-S179 VanDerWaalsContact C-N 3.31Å; R177-S179 PolarHBondContact O-N 2.87Å; S179-F181 PolarHBondContact O-N 3.22Å; S179-S182 WeakPolarHBondContact CA-OG 3.4Å; S179-S182 PolarHBondContact O-N 2.81Å; S179-S182 PolarHBondContact O-OG 2.94Å; S179-H183 PolarHBondContact O-N 3.08Å
180	M	48	Very low	44.7	Very low	139 Å²	139	110.1 Å²	110.1	69%	0.685	58%	0.575	S	S	*	*	H	α-helix	trans	-62.9	-23.7	176.3	-64.6	177.3	96	0	0	113.6	N176 R177 I178	N176-M180 WeakPolarHBondContact O-CG 3.34Å; N176-M180 PolarHBondContact O-N 2.8Å; R177-M180 WeakPolarHBondContact O-CB 3.41Å; R177-M180 PolarHBondContact O-N 2.77Å; I178-M180 PolarHBondContact O-N 3.41Å
181	F	45.9	Very low	43.8	Very low	162 Å²	162	112.1 Å²	112.1	71%	0.711	59%	0.591	S	S	*	*	H	α-helix	trans	-100.1	-29.6	179.7	-70	-70.4	0	0	0	114	R177 I178 S179 H183	R177-F181 WeakPolarHBondContact O-CD2 3.28Å; I178-F181 PolarHBondContact O-N 3.15Å; S179-F181 PolarHBondContact O-N 3.22Å; F181-H183 VanDerWaalsContact C-N 3.34Å
182	S	41.8	Very low	42.6	Very low	70 Å²	70	117.2 Å²	117.2	49%	0.49	62%	0.621	S	S	.	*	H	α-helix	trans	-78.4	-21	-179	48.1	0	0	0	0	112.8	I178 S179 P184	I178-S182 PolarHBondContact O-N 3.04Å; I178-S182 PolarHBondContact O-OG 3.18Å; S179-S182 WeakPolarHBondContact CA-OG 3.4Å; S179-S182 PolarHBondContact O-N 2.81Å; S179-S182 PolarHBondContact O-OG 2.94Å; S182-P184 VanDerWaalsContact O-CD 3.23Å; S182-P184 WeakPolarHBondContact O-CD 3.37Å
183	H	41.3	Very low	41.1	Very low	144 Å²	144	118.3 Å²	118.3	67%	0.667	63%	0.633	S	S	*	*	S	Bend	trans	-116	72.5	176.1	-61.3	50.7	0	0	0	109	S179 F181 T185	S179-H183 PolarHBondContact O-N 3.08Å; F181-H183 VanDerWaalsContact C-N 3.34Å; H183-T185 PolarHBondContact O-N 3.38Å; H183-T185 VanDerWaalsContact O-N 3.09Å
184	P	41.5	Very low	39.9	Very low	88 Å²	88	120.6 Å²	120.6	57%	0.571	65%	0.652	S	S	*	*			trans	-58.1	121.1	164.6	20.7	-22	0	0	0	106.8	S182 T186	S182-P184 VanDerWaalsContact O-CD 3.23Å; S182-P184 WeakPolarHBondContact O-CD 3.37Å; P184-T186 VanDerWaalsContact C-N 3.31Å; P184-T186 PolarHBondContact O-N 3.48Å; P184-T186 PolarHBondContact O-OG1 3.09Å
185	T	35.8	Very low	38.9	Very low	155 Å²	155	122.8 Å²	122.8	95%	0.951	68%	0.678	S	S	*	*			trans	-50.8	96.5	175.1	-39.5	0	0	0	0	107.8	H183	H183-T185 PolarHBondContact O-N 3.38Å; H183-T185 VanDerWaalsContact O-N 3.09Å
186	T	36.9	Very low	37.6	Very low	113 Å²	113	127.9 Å²	127.9	69%	0.693	70%	0.704	S	S	*	*			trans	-119.6	112.4	-176.9	-50.9	0	0	0	0	106	P184	P184-T186 VanDerWaalsContact C-N 3.31Å; P184-T186 PolarHBondContact O-N 3.48Å; P184-T186 PolarHBondContact O-OG1 3.09Å
187	E	31.4	Very low	36.2	Very low	171 Å²	171	128.1 Å²	128.1	80%	0.799	71%	0.713	S	S	*	*			trans	-55.1	140.5	171.6	-82.7	179.9	142.6	0	0	110.2	V189	E187-V189 PolarHBondContact O-N 2.72Å
188	P	30	Very low	35.2	Very low	120 Å²	120	124.6 Å²	124.6	78%	0.779	72%	0.719	S	S	*	*			trans	-69.4	105.2	-175.3	27.9	-32.8	0	0	0	110.1
189	V	30.4	Very low	34.2	Very low	125 Å²	125	127.2 Å²	127.2	76%	0.758	74%	0.742	S	S	*	*			trans	-87	110.9	163.9	-178.2	0	0	0	0	107.4	E187 V191	E187-V189 PolarHBondContact O-N 2.72Å; V189-V191 HydrophobicContact CG1-CG2 4.02Å; V189-V191 PolarHBondContact O-N 2.84Å
190	I	30.3	Very low	33.2	Very low	163 Å²	163	132.3 Å²	132.3	84%	0.836	77%	0.765	S	S	*	*			trans	-65.9	112.6	172.4	-58.1	166.9	0	0	0	106.9
191	V	35	Very low	32.2	Very low	127 Å²	127	131.3 Å²	131.3	77%	0.77	77%	0.77	S	S	*	*			trans	-119.3	124.4	169.1	-176.7	0	0	0	0	107.8	V189	V189-V191 HydrophobicContact CG1-CG2 4.02Å; V189-V191 PolarHBondContact O-N 2.84Å
192	D	31.3	Very low	31.4	Very low	150 Å²	150	131.4 Å²	131.4	80%	0.802	78%	0.778	S	S	*	*			trans	-69	140.8	-170.6	-150.4	2.4	0	0	0	112.2
193	D	27.4	Very low	30.7	Very low	162 Å²	162	132.6 Å²	132.6	87%	0.866	78%	0.784	S	S	*	*			trans	-67.8	134.3	178.4	-98.8	-33.7	0	0	0	110.6
194	S	29.7	Very low	29.9	Very low	114 Å²	114	134.3 Å²	134.3	80%	0.797	79%	0.792	S	S	*	*			trans	-148.8	117.5	159.4	48.7	0	0	0	0	114.2
195	C	28.1	Very low	29.2	Very low	126 Å²	126	136.6 Å²	136.6	85%	0.851	80%	0.804	S	S	*	*			trans	70.6	99.6	143.8	-145.5	0	0	0	0	119.4
196	I	26.3	Very low	28.7	Very low	168 Å²	168	136.1 Å²	136.1	86%	0.862	80%	0.795	S	S	*	*			trans	-82.2	122.7	161.3	-61.9	169.5	0	0	0	107.9
197	S	28	Very low	28.3	Very low	110 Å²	110	139.7 Å²	139.7	77%	0.769	80%	0.804	S	S	*	*			trans	-96.6	111.8	171.4	-173	0	0	0	0	109.3
198	A	26.4	Very low	27.9	Very low	89 Å²	89	139.4 Å²	139.4	74%	0.736	81%	0.806	S	S	*	*			trans	-80.7	136.8	170.1	0	0	0	0	0	109.7
199	C	25.2	Very low	28.2	Very low	124 Å²	124	138.7 Å²	138.7	84%	0.838	80%	0.804	S	S	*	*			trans	-111	134.5	164.4	-77.5	0	0	0	0	108.6
200	D	27.5	Very low	28.3	Very low	158 Å²	158	139.5 Å²	139.5	85%	0.845	80%	0.804	S	S	*	*			trans	-69.7	154.2	-167.8	-78.7	-51.1	0	0	0	115.3
201	P	26.2	Very low	28.4	Very low	119 Å²	119	135.1 Å²	135.1	77%	0.773	78%	0.78	S	S	*	*			trans	-90.2	139.5	173.1	34.4	-30	0	0	0	112.7
202	D	28.8	Very low	28.3	Very low	164 Å²	164	135.1 Å²	135.1	88%	0.877	78%	0.776	S	S	*	*			trans	-109.2	159.5	173.2	-124.3	8.2	0	0	0	111
203	P	27.7	Very low	28.4	Very low	95 Å²	95	135.5 Å²	135.5	62%	0.617	77%	0.772	S	S	*	*			trans	-110.8	157.5	-143.5	39.3	-31.6	0	0	0	115.9
204	H	23.3	Very low	28.9	Very low	180 Å²	180	133.6 Å²	133.6	83%	0.833	76%	0.756	S	S	*	*			trans	30.2	108.1	142.6	-67	-75.7	0	0	0	119.3
205	V	27.2	Very low	29	Very low	136 Å²	136	131.7 Å²	131.7	82%	0.824	74%	0.743	S	S	*	*			trans	-138	127	148.8	-175.8	0	0	0	0	109.5
206	D	25.1	Very low	29.5	Very low	145 Å²	145	128.3 Å²	128.3	78%	0.775	73%	0.725	S	S	*	*			trans	-73.5	127.4	178.7	-62.9	-58.1	0	0	0	111.7
207	E	28.9	Very low	30.3	Very low	188 Å²	188	123 Å²	123	88%	0.879	70%	0.702	S	S	*	*			trans	-141.8	111	167.6	-98.6	177.6	-175.6	0	0	111.9
208	I	24.2	Very low	31	Very low	165 Å²	165	119.3 Å²	119.3	85%	0.846	67%	0.674	S	S	*	*			trans	-109.8	126.7	179.7	-63.8	161.9	0	0	0	105.9
209	S	35.2	Very low	31.9	Very low	104 Å²	104	116.6 Å²	116.6	73%	0.727	65%	0.649	S	S	*	*			trans	167.8	-8.3	150	-178	0	0	0	0	117.2	E211	S209-E211 PolarHBondContact O-N 2.81Å
210	N	33.3	Very low	32.8	Very low	142 Å²	142	113.4 Å²	113.4	76%	0.759	63%	0.629	S	S	*	*			trans	-92.4	10.1	-165.1	-72.8	-14.1	0	0	0	117.2
211	E	32.7	Very low	33.6	Very low	71 Å²	71	110.1 Å²	110.1	33%	0.332	61%	0.61	S	S	.	*	H	α-helix	trans	-78	-37.8	-166.9	-60.7	-163.4	150	0	0	115.8	S209 H213 L562 N563 S564	S209-E211 PolarHBondContact O-N 2.81Å; E211-H213 PolarHBondContact O-N 2.86Å; E211-L562 VanDerWaalsContact OE1-O 3.11Å; E211-N563 VanDerWaalsContact OE1-CA 3.28Å; E211-N563 WeakPolarHBondContact OE1-CA 3.48Å; E211-S564 PolarHBondContact OE1-N 3.06Å
212	D	32.4	Very low	34.6	Very low	127 Å²	127	106.1 Å²	106.1	68%	0.679	58%	0.581	S	S	*	*	H	α-helix	trans	-72.2	-15.8	-173.2	-73.1	-28.2	0	0	0	112.7
213	H	33.2	Very low	35.7	Very low	158 Å²	158	102.9 Å²	102.9	73%	0.731	56%	0.562	S	S	*	*	H	α-helix	trans	-80.1	-31.6	-175.8	-134.6	-73	0	0	0	113.5	E211 S217	E211-H213 PolarHBondContact O-N 2.86Å; H213-S217 WeakPolarHBondContact O-CB 3.36Å; H213-S217 PolarHBondContact O-N 3.38Å
214	F	37.2	Very low	36.9	Very low	122 Å²	122	104.5 Å²	104.5	54%	0.535	57%	0.565	S	S	.	*	H	α-helix	trans	-76.5	-41.5	-174.2	-175.4	-98.5	0	0	0	113	S217 L218	F214-S217 PolarHBondContact O-N 2.64Å; F214-L218 HydrophobicContact CE1-CD1 4.05Å; F214-L218 HydrophobicContact CZ-CD1 3.87Å; F214-L218 PolarHBondContact O-N 3.26Å
215	S	32.9	Very low	38.3	Very low	75 Å²	75	99.2 Å²	99.2	52%	0.524	54%	0.543	S	S	.	.	H	α-helix	trans	-68.3	-36.8	178.6	64.4	0	0	0	0	112	S219	S215-S219 WeakPolarHBondContact O-CB 3.32Å; S215-S219 PolarHBondContact O-N 3.12Å; S215-S219 PolarHBondContact O-OG 2.66Å
216	A	36.8	Very low	40.2	Very low	55 Å²	55	98.6 Å²	98.6	46%	0.455	54%	0.535	S	S	.	.	H	α-helix	trans	-64.1	-45.4	171	0	0	0	0	0	111.3	S219 S220	A216-S219 PolarHBondContact O-N 2.93Å; A216-S220 PolarHBondContact O-N 3.07Å
217	S	44.1	Very low	42.6	Very low	56 Å²	56	92.8 Å²	92.8	39%	0.392	50%	0.503	S	S	.	.	H	α-helix	trans	-61.8	-43.2	178.1	178.4	0	0	0	0	112.6	H213 F214 S219 S220 L221	H213-S217 WeakPolarHBondContact O-CB 3.36Å; H213-S217 PolarHBondContact O-N 3.38Å; F214-S217 PolarHBondContact O-N 2.64Å; S217-S219 VanDerWaalsContact C-N 3.28Å; S217-S219 PolarHBondContact O-N 2.92Å; S217-S220 PolarHBondContact O-N 2.66Å; S217-S220 PolarHBondContact O-OG 2.92Å; S217-L221 VanDerWaalsContact O-CB 3.3Å; S217-L221 WeakPolarHBondContact O-CB 3.29Å; S217-L221 PolarHBondContact O-N 3.2Å
218	L	43.5	Very low	45	Very low	32 Å²	32	87.6 Å²	87.6	17%	0.168	48%	0.479	C	S	.	.	H	α-helix	trans	-63.1	-38.8	177.1	-146.2	94.1	0	0	0	111.2	F214 L221 F222 Y391	F214-L218 HydrophobicContact CE1-CD1 4.05Å; F214-L218 HydrophobicContact CZ-CD1 3.87Å; F214-L218 PolarHBondContact O-N 3.26Å; L218-L221 WeakPolarHBondContact O-CB 3.33Å; L218-L221 PolarHBondContact O-N 3.32Å; L218-F222 HydrophobicContact CB-CE2 4.48Å; L218-F222 HydrophobicContact CD2-CD2 4.45Å; L218-F222 HydrophobicContact CD2-CE2 3.43Å; L218-F222 VanDerWaalsContact CD2-CE2 3.43Å; L218-F222 HydrophobicContact CD2-CZ 3.93Å; L218-F222 HydrophobicContact CG-CD2 4.44Å; L218-F222 HydrophobicContact CG-CE2 3.73Å; L218-F222 HydrophobicContact CG-CZ 4.2Å; L218-F222 WeakPolarHBondContact O-CD2 3.42Å; L218-F222 WeakPolarHBondContact O-CG 3.48Å; L218-F222 PolarHBondContact O-N 3.47Å; L218-Y391 HydrophobicContact CD1-CE1 4.43Å; L218-Y391 HydrophobicContact CD2-CD1 3.76Å; L218-Y391 HydrophobicContact CD2-CE1 4.1Å
219	S	44	Very low	47.6	Very low	32 Å²	32	81.4 Å²	81.4	22%	0.224	45%	0.45	C	S	.	.	H	α-helix	trans	-70.2	-39.5	179.7	-58.4	0	0	0	0	112.7	S215 A216 S217 F222 M223	S215-S219 WeakPolarHBondContact O-CB 3.32Å; S215-S219 PolarHBondContact O-N 3.12Å; S215-S219 PolarHBondContact O-OG 2.66Å; A216-S219 PolarHBondContact O-N 2.93Å; S217-S219 VanDerWaalsContact C-N 3.28Å; S217-S219 PolarHBondContact O-N 2.92Å; S219-F222 PolarHBondContact O-N 2.99Å; S219-M223 WeakPolarHBondContact O-CG 3.2Å; S219-M223 PolarHBondContact O-N 2.8Å
220	S	43.9	Very low	49.8	Very low	58 Å²	58	80.9 Å²	80.9	41%	0.406	44%	0.439	S	S	.	.	H	α-helix	trans	-66.1	-42.5	171.8	70.9	0	0	0	0	110.6	A216 S217 F222 M223 D224	A216-S220 PolarHBondContact O-N 3.07Å; S217-S220 PolarHBondContact O-N 2.66Å; S217-S220 PolarHBondContact O-OG 2.92Å; S220-F222 VanDerWaalsContact C-N 3.29Å; S220-F222 PolarHBondContact O-N 2.93Å; S220-M223 PolarHBondContact O-N 3.49Å; S220-M223 VanDerWaalsContact O-N 3.14Å; S220-D224 WeakPolarHBondContact O-CB 3.32Å; S220-D224 VanDerWaalsContact O-CG 3.25Å; S220-D224 PolarHBondContact O-N 3.41Å
221	L	44.6	Very low	51.9	Low	88 Å²	88	74.2 Å²	74.2	46%	0.461	40%	0.403	S	S	.	.	H	α-helix	trans	-54.5	-45.8	176.2	-150.7	93.2	0	0	0	110.9	S217 L218 D224 L225	S217-L221 VanDerWaalsContact O-CB 3.3Å; S217-L221 WeakPolarHBondContact O-CB 3.29Å; S217-L221 PolarHBondContact O-N 3.2Å; L218-L221 WeakPolarHBondContact O-CB 3.33Å; L218-L221 PolarHBondContact O-N 3.32Å; L221-D224 PolarHBondContact O-N 2.96Å; L221-L225 HydrophobicContact CD2-CD1 4.15Å; L221-L225 HydrophobicContact CG-CD1 4.25Å; L221-L225 VanDerWaalsContact O-CB 3.29Å; L221-L225 WeakPolarHBondContact O-CB 3.33Å; L221-L225 WeakPolarHBondContact O-CD1 3.4Å; L221-L225 WeakPolarHBondContact O-CG 3.5Å; L221-L225 PolarHBondContact O-N 2.98Å
222	F	48.6	Very low	54.3	Low	35 Å²	35	74.6 Å²	74.6	15%	0.154	41%	0.411	C	S	.	.	H	α-helix	trans	-67.1	-36.5	179.1	-71.1	-54.1	0	0	0	114.3	L218 S219 S220 L225 Y391 L436	L218-F222 HydrophobicContact CB-CE2 4.48Å; L218-F222 HydrophobicContact CD2-CD2 4.45Å; L218-F222 HydrophobicContact CD2-CE2 3.43Å; L218-F222 VanDerWaalsContact CD2-CE2 3.43Å; L218-F222 HydrophobicContact CD2-CZ 3.93Å; L218-F222 HydrophobicContact CG-CD2 4.44Å; L218-F222 HydrophobicContact CG-CE2 3.73Å; L218-F222 HydrophobicContact CG-CZ 4.2Å; L218-F222 WeakPolarHBondContact O-CD2 3.42Å; L218-F222 WeakPolarHBondContact O-CG 3.48Å; L218-F222 PolarHBondContact O-N 3.47Å; S219-F222 PolarHBondContact O-N 2.99Å; S220-F222 VanDerWaalsContact C-N 3.29Å; S220-F222 PolarHBondContact O-N 2.93Å; F222-L225 HydrophobicContact CD1-CD1 4.46Å; F222-Y391 HydrophobicContact CE1-CD2 4.3Å; F222-Y391 HydrophobicContact CE2-CG 4.48Å; F222-Y391 HydrophobicContact CZ-CD1 4.07Å; F222-Y391 AromaticContact CZ-CD2 3.81Å; F222-Y391 HydrophobicContact CZ-CD2 3.81Å; F222-Y391 HydrophobicContact CZ-CE1 4.46Å; F222-Y391 HydrophobicContact CZ-CE2 4.31Å; F222-Y391 AromaticContact CZ-CG 3.7Å; F222-Y391 HydrophobicContact CZ-CG 3.7Å; F222-L436 HydrophobicContact CD1-CD1 3.85Å; F222-L436 HydrophobicContact CD1-CD2 3.83Å; F222-L436 HydrophobicContact CD1-CG 4.47Å; F222-L436 HydrophobicContact CE1-CD1 3.47Å; F222-L436 VanDerWaalsContact CE1-CD1 3.47Å; F222-L436 HydrophobicContact CE1-CD2 3.84Å; F222-L436 HydrophobicContact CE1-CG 4.15Å; F222-L436 HydrophobicContact CZ-CD1 3.93Å
223	M	50.8	Low	56.5	Low	96 Å²	96	71 Å²	71	47%	0.473	40%	0.404	S	S	.	.	H	α-helix	trans	-71.4	-33.8	177.3	-70.9	-78.9	-175.2	0	0	111.7	S219 S220	S219-M223 WeakPolarHBondContact O-CG 3.2Å; S219-M223 PolarHBondContact O-N 2.8Å; S220-M223 PolarHBondContact O-N 3.49Å; S220-M223 VanDerWaalsContact O-N 3.14Å
224	D	52.8	Low	58.8	Low	130 Å²	130	64.2 Å²	64.2	70%	0.695	37%	0.372	S	S	*	.	H	α-helix	trans	-79.3	-25.9	179.5	-66.6	-23.3	0	0	0	112.5	S220 L221 N226	S220-D224 WeakPolarHBondContact O-CB 3.32Å; S220-D224 VanDerWaalsContact O-CG 3.25Å; S220-D224 PolarHBondContact O-N 3.41Å; L221-D224 PolarHBondContact O-N 2.96Å; D224-N226 VanDerWaalsContact C-N 3.3Å; D224-N226 PolarHBondContact O-N 3Å
225	L	52.9	Low	61.1	Low	69 Å²	69	60 Å²	60	36%	0.361	36%	0.356	S	S	.	.			trans	-72.4	83.6	172.7	-75.4	169.7	0	0	0	109.3	L221 F222 I227	L221-L225 HydrophobicContact CD2-CD1 4.15Å; L221-L225 HydrophobicContact CG-CD1 4.25Å; L221-L225 VanDerWaalsContact O-CB 3.29Å; L221-L225 WeakPolarHBondContact O-CB 3.33Å; L221-L225 WeakPolarHBondContact O-CD1 3.4Å; L221-L225 WeakPolarHBondContact O-CG 3.5Å; L221-L225 PolarHBondContact O-N 2.98Å; F222-L225 HydrophobicContact CD1-CD1 4.46Å; L225-I227 HydrophobicContact CB-CD1 3.73Å; L225-I227 HydrophobicContact CB-CG1 3.89Å; L225-I227 HydrophobicContact CD1-CD1 4.1Å; L225-I227 HydrophobicContact CD2-CD1 4.16Å; L225-I227 HydrophobicContact CD2-CG1 4.38Å; L225-I227 HydrophobicContact CG-CD1 4.21Å; L225-I227 PolarHBondContact O-N 3.43Å
226	N	66.8	Low	63.7	Low	122 Å²	122	60.3 Å²	60.3	65%	0.652	35%	0.352	S	S	*	.			trans	-68	57.2	169.9	-172.8	21.3	0	0	0	111.1	D224 Q228	D224-N226 VanDerWaalsContact C-N 3.3Å; D224-N226 PolarHBondContact O-N 3Å; N226-Q228 PolarHBondContact OD1-NE2 2.75Å
227	I	75.8	Confident	66.1	Low	23 Å²	23	67.4 Å²	67.4	12%	0.118	38%	0.376	C	S	.	.			trans	-79.4	127.1	-177	-64.1	164.9	0	0	0	108.7	L225 T232 F234 Y451	L225-I227 HydrophobicContact CB-CD1 3.73Å; L225-I227 HydrophobicContact CB-CG1 3.89Å; L225-I227 HydrophobicContact CD1-CD1 4.1Å; L225-I227 HydrophobicContact CD2-CD1 4.16Å; L225-I227 HydrophobicContact CD2-CG1 4.38Å; L225-I227 HydrophobicContact CG-CD1 4.21Å; L225-I227 PolarHBondContact O-N 3.43Å; I227-T232 WeakPolarHBondContact CA-O 3.38Å; I227-F234 HydrophobicContact CD1-CD2 4.14Å; I227-F234 HydrophobicContact CG1-CB 4.3Å; I227-F234 HydrophobicContact CG2-CB 3.73Å; I227-F234 HydrophobicContact CG2-CG 4.39Å; I227-Y451 HydrophobicContact CB-CE1 4.34Å; I227-Y451 HydrophobicContact CG2-CD1 3.53Å; I227-Y451 HydrophobicContact CG2-CE1 3.1Å; I227-Y451 HydrophobicContact CG2-CE2 4.4Å; I227-Y451 HydrophobicContact CG2-CG 4.35Å
228	Q	80.2	Confident	68.2	Low	80 Å²	80	67.9 Å²	67.9	37%	0.374	38%	0.379	S	S	.	.			trans	-101.7	154.4	176.2	-61	-63.4	-28.5	0	0	110.9	N226 D230 G231 T232	N226-Q228 PolarHBondContact OD1-NE2 2.75Å; Q228-D230 WeakPolarHBondContact CB-OD1 3.43Å; Q228-D230 PolarHBondContact O-N 3.09Å; Q228-D230 VanDerWaalsContact O-N 3.1Å; Q228-G231 PolarHBondContact O-N 3.35Å; Q228-T232 PolarHBondContact N-O 2.74Å
229	P	77.2	Confident	70.5	Confident	35 Å²	35	67.2 Å²	67.2	23%	0.227	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-18.1	179.7	-23.8	34.2	0	0	0	114.7	G231 C278	P229-G231 VanDerWaalsContact C-N 3.28Å; P229-C278 PolarHBondContact O-SG 3.33Å
230	D	81.7	Confident	72.7	Confident	92 Å²	92	69.3 Å²	69.3	49%	0.492	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-3.7	175.3	67.5	-4.6	0	0	0	113.5	Q228 T232 W251	Q228-D230 WeakPolarHBondContact CB-OD1 3.43Å; Q228-D230 PolarHBondContact O-N 3.09Å; Q228-D230 VanDerWaalsContact O-N 3.1Å; D230-T232 VanDerWaalsContact CG-OG1 3.28Å; D230-T232 VanDerWaalsContact OD1-CB 3.31Å; D230-T232 WeakPolarHBondContact OD1-CB 3.38Å; D230-T232 PolarHBondContact OD1-N 3.48Å; D230-T232 PolarHBondContact OD1-OG1 2.97Å; D230-T232 PolarHBondContact OD2-OG1 2.8Å; D230-W251 WeakPolarHBondContact O-CH2 3.47Å
231	G	78.4	Confident	75	Confident	2 Å²	2	70.3 Å²	70.3	2%	0.021	38%	0.381	C	S	.	.	S	Bend	trans	96.8	-4.6	-178.9	0	0	0	0	0	114.4	Q228 P229 G233 F234 V235	Q228-G231 PolarHBondContact O-N 3.35Å; P229-G231 VanDerWaalsContact C-N 3.28Å; G231-G233 PolarHBondContact O-N 3.11Å; G231-F234 WeakPolarHBondContact O-CA 3.45Å; G231-F234 WeakPolarHBondContact O-CB 3.21Å; G231-F234 PolarHBondContact O-N 3.05Å; G231-V235 WeakPolarHBondContact O-CG2 3.33Å; G231-V235 PolarHBondContact O-N 2.61Å; G231-V235 VanDerWaalsContact O-N 3.1Å
232	T	81.7	Confident	77.1	Confident	79 Å²	79	67.4 Å²	67.4	49%	0.485	37%	0.367	S	S	.	.	B	Isolated β-bridge	trans	-58.3	131.3	175.8	-52.9	0	0	0	0	110	I227 Q228 D230 F234	I227-T232 WeakPolarHBondContact CA-O 3.38Å; Q228-T232 PolarHBondContact N-O 2.74Å; D230-T232 VanDerWaalsContact CG-OG1 3.28Å; D230-T232 VanDerWaalsContact OD1-CB 3.31Å; D230-T232 WeakPolarHBondContact OD1-CB 3.38Å; D230-T232 PolarHBondContact OD1-N 3.48Å; D230-T232 PolarHBondContact OD1-OG1 2.97Å; D230-T232 PolarHBondContact OD2-OG1 2.8Å; T232-F234 PolarHBondContact O-N 2.98Å
233	G	78.8	Confident	79	Confident	52 Å²	52	67.6 Å²	67.6	54%	0.536	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	-10.9	-175.6	0	0	0	0	0	114.8	G231	G231-G233 PolarHBondContact O-N 3.11Å
234	F	82.4	Confident	80.9	Confident	15 Å²	15	67 Å²	67	7%	0.066	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-26	175.6	-172	-129.1	0	0	0	112.9	I227 G231 T232 R276 C278 Y451 I453	I227-F234 HydrophobicContact CD1-CD2 4.14Å; I227-F234 HydrophobicContact CG1-CB 4.3Å; I227-F234 HydrophobicContact CG2-CB 3.73Å; I227-F234 HydrophobicContact CG2-CG 4.39Å; G231-F234 WeakPolarHBondContact O-CA 3.45Å; G231-F234 WeakPolarHBondContact O-CB 3.21Å; G231-F234 PolarHBondContact O-N 3.05Å; T232-F234 PolarHBondContact O-N 2.98Å; F234-R276 HydrophobicContact CD1-CB 4.14Å; F234-R276 HydrophobicContact CE1-CB 3.51Å; F234-R276 HydrophobicContact CE1-CG 3.85Å; F234-R276 HydrophobicContact CE2-CG 4.35Å; F234-R276 HydrophobicContact CZ-CB 3.91Å; F234-R276 HydrophobicContact CZ-CG 3.72Å; F234-R276 WeakPolarHBondContact O-CD 3.21Å; F234-R276 PolarHBondContact O-NH1 3.22Å; F234-C278 HydrophobicContact CD1-CB 4.21Å; F234-C278 HydrophobicContact CE1-CB 4.38Å; F234-Y451 HydrophobicContact CD1-CD1 4.33Å; F234-Y451 HydrophobicContact CG-CD1 4.4Å; F234-I453 HydrophobicContact CE2-CD1 4.29Å; F234-I453 HydrophobicContact CE2-CG1 3.95Å; F234-I453 HydrophobicContact CZ-CG1 3.88Å
235	V	86	Confident	82.6	Confident	33 Å²	33	68 Å²	68	20%	0.2	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-133.2	157.3	175.3	-64.7	0	0	0	0	110.7	G231 W239 W251 R276	G231-V235 WeakPolarHBondContact O-CG2 3.33Å; G231-V235 PolarHBondContact O-N 2.61Å; G231-V235 VanDerWaalsContact O-N 3.1Å; V235-W239 HydrophobicContact CB-CB 4.07Å; V235-W239 HydrophobicContact CB-CD2 4.39Å; V235-W239 HydrophobicContact CB-CG 3.85Å; V235-W239 HydrophobicContact CG1-CB 4.37Å; V235-W239 HydrophobicContact CG1-CD2 4Å; V235-W239 HydrophobicContact CG1-CE3 4.39Å; V235-W239 HydrophobicContact CG1-CG 3.97Å; V235-W251 HydrophobicContact CB-CD2 4.47Å; V235-W251 HydrophobicContact CB-CG 4.42Å; V235-W251 HydrophobicContact CG1-CB 4.08Å; V235-W251 HydrophobicContact CG1-CD2 3.86Å; V235-W251 HydrophobicContact CG1-CE3 4Å; V235-W251 HydrophobicContact CG1-CG 3.9Å; V235-W251 HydrophobicContact CG2-CD2 4.02Å; V235-W251 HydrophobicContact CG2-CG 4.3Å; V235-W251 HydrophobicContact CG2-CZ2 4.06Å; V235-R276 HydrophobicContact CG1-CB 4.05Å
236	D	86	Confident	84	Confident	83 Å²	83	71.1 Å²	71.1	44%	0.444	38%	0.382	S	S	.	.			trans	-121.9	-178.1	177.6	64.9	58.9	0	0	0	111.1	S238 W239 R253	D236-S238 PolarHBondContact O-N 3.23Å; D236-S238 VanDerWaalsContact O-N 3.13Å; D236-S238 WeakPolarHBondContact OD1-CA 3.29Å; D236-S238 WeakPolarHBondContact OD1-CB 3.2Å; D236-S238 PolarHBondContact OD1-N 3.01Å; D236-S238 PolarHBondContact OD1-OG 3.47Å; D236-W239 VanDerWaalsContact N-CD1 3.33Å; D236-W239 WeakPolarHBondContact O-CB 3.27Å; D236-W239 PolarHBondContact O-N 3.27Å; D236-W239 VanDerWaalsContact O-N 3.12Å; D236-W239 PolarHBondContact OD2-NE1 3.34Å; D236-R253 IonicContact OD2-NH1 2.83Å; D236-R253 PolarHBondContact OD2-NH1 3.42Å
237	E	88.4	Confident	84.8	Confident	204 Å²	204	67.6 Å²	67.6	95%	0.953	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-17.6	-176.8	-59.5	-176.5	-179.8	0	0	114.7	W239	E237-W239 PolarHBondContact O-N 3.24Å
238	S	88.1	Confident	85.6	Confident	65 Å²	65	66.9 Å²	66.9	46%	0.455	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-8.1	176.6	74.4	0	0	0	0	113.7	D236 R253	D236-S238 PolarHBondContact O-N 3.23Å; D236-S238 VanDerWaalsContact O-N 3.13Å; D236-S238 WeakPolarHBondContact OD1-CA 3.29Å; D236-S238 WeakPolarHBondContact OD1-CB 3.2Å; D236-S238 PolarHBondContact OD1-N 3.01Å; D236-S238 PolarHBondContact OD1-OG 3.47Å; S238-R253 WeakPolarHBondContact OG-CD 3.46Å; S238-R253 PolarHBondContact OG-NH1 2.94Å
239	W	91.3	Very high	86.2	Confident	18 Å²	18	64.7 Å²	64.7	7%	0.068	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-90.2	132.1	-179.1	-71.9	81.9	0	0	0	112.6	V235 D236 E237 W251 R252 R253 E274 R276	V235-W239 HydrophobicContact CB-CB 4.07Å; V235-W239 HydrophobicContact CB-CD2 4.39Å; V235-W239 HydrophobicContact CB-CG 3.85Å; V235-W239 HydrophobicContact CG1-CB 4.37Å; V235-W239 HydrophobicContact CG1-CD2 4Å; V235-W239 HydrophobicContact CG1-CE3 4.39Å; V235-W239 HydrophobicContact CG1-CG 3.97Å; D236-W239 VanDerWaalsContact N-CD1 3.33Å; D236-W239 WeakPolarHBondContact O-CB 3.27Å; D236-W239 PolarHBondContact O-N 3.27Å; D236-W239 VanDerWaalsContact O-N 3.12Å; D236-W239 PolarHBondContact OD2-NE1 3.34Å; E237-W239 PolarHBondContact O-N 3.24Å; W239-W251 HydrophobicContact CB-CB 4.04Å; W239-W251 HydrophobicContact CB-CG 4.31Å; W239-W251 HydrophobicContact CD2-CB 4.33Å; W239-W251 HydrophobicContact CE3-CB 3.66Å; W239-R252 VanDerWaalsContact CE3-C 3.46Å; W239-R253 HydrophobicContact CD2-CB 3.93Å; W239-R253 HydrophobicContact CE3-CB 3.83Å; W239-R253 HydrophobicContact CH2-CB 4.16Å; W239-R253 HydrophobicContact CZ2-CB 4.24Å; W239-R253 HydrophobicContact CZ3-CB 3.96Å; W239-E274 HydrophobicContact CH2-CB 3.96Å; W239-E274 VanDerWaalsContact CH2-CD 3.47Å; W239-E274 HydrophobicContact CH2-CG 3.75Å; W239-E274 WeakPolarHBondContact CH2-OE1 3.46Å; W239-E274 HydrophobicContact CZ3-CB 4.48Å; W239-E274 WeakPolarHBondContact CZ3-O 3.27Å; W239-R276 HydrophobicContact CE3-CB 4.26Å; W239-R276 HydrophobicContact CE3-CG 4.47Å; W239-R276 HydrophobicContact CH2-CB 4.08Å; W239-R276 VanDerWaalsContact CH2-CD 3.43Å; W239-R276 HydrophobicContact CH2-CG 3.45Å; W239-R276 VanDerWaalsContact CH2-CG 3.45Å; W239-R276 VanDerWaalsContact CZ2-CD 3.43Å; W239-R276 HydrophobicContact CZ2-CG 4.02Å; W239-R276 HydrophobicContact CZ3-CB 3.79Å; W239-R276 HydrophobicContact CZ3-CG 3.71Å
240	E	91.2	Very high	87	Confident	76 Å²	76	63 Å²	63	36%	0.355	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	117.6	173.3	-175.8	-166.9	174.5	0	0	109.6	V242 W251 R252 K468	E240-V242 HydrophobicContact CB-CG1 4.45Å; E240-V242 HydrophobicContact CG-CG1 3.97Å; E240-V242 PolarHBondContact O-N 3.44Å; E240-W251 CarbonylContact O-C 3.57Å; E240-W251 WeakPolarHBondContact O-CA 3.43Å; E240-R252 HydrophobicContact CB-CG 4.32Å; E240-R252 PolarHBondContact N-O 2.79Å; E240-R252 PolarHBondContact O-N 2.94Å; E240-R252 IonicContact OE1-NH2 2.66Å; E240-R252 IonicContact OE2-CZ 3.66Å; E240-R252 IonicContact OE2-NE 2.96Å; E240-R252 PolarHBondContact OE2-NE 3.37Å; E240-R252 IonicContact OE2-NH2 2.65Å; E240-R252 PolarHBondContact OE2-NH2 3.5Å; E240-K468 IonicContact OE1-NZ 3.35Å; E240-K468 PolarHBondContact OE1-NZ 3.34Å
241	L	91.2	Very high	87.5	Confident	79 Å²	79	59.8 Å²	59.8	41%	0.414	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	120.2	169.4	-178.5	66.6	0	0	0	109.7	Y243 D244 W251	L241-Y243 WeakPolarHBondContact CD1-O 3.43Å; L241-D244 HydrophobicContact CD1-CB 4.4Å; L241-D244 HydrophobicContact CD2-CB 4.08Å; L241-D244 HydrophobicContact CG-CB 4.42Å; L241-W251 HydrophobicContact CD1-CD2 4.01Å; L241-W251 HydrophobicContact CD1-CG 4.26Å; L241-W251 HydrophobicContact CD1-CZ2 3.95Å
242	V	88.8	Confident	88.1	Confident	27 Å²	27	60.7 Å²	60.7	16%	0.164	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	-15.9	-175	-62.5	0	0	0	0	114.2	E240 V250 R252 K468 V472	E240-V242 HydrophobicContact CB-CG1 4.45Å; E240-V242 HydrophobicContact CG-CG1 3.97Å; E240-V242 PolarHBondContact O-N 3.44Å; V242-V250 HydrophobicContact CG2-CB 4.02Å; V242-V250 HydrophobicContact CG2-CG1 3.76Å; V242-V250 VanDerWaalsContact CG2-O 3.27Å; V242-V250 WeakPolarHBondContact CG2-O 3.44Å; V242-V250 PolarHBondContact N-O 3.06Å; V242-R252 HydrophobicContact CG1-CG 3.72Å; V242-K468 HydrophobicContact CG1-CD 4.46Å; V242-K468 VanDerWaalsContact CG1-CE 3.4Å; V242-V472 HydrophobicContact CB-CG2 3.94Å; V242-V472 HydrophobicContact CG2-CG2 3.55Å
243	Y	88.7	Confident	88.4	Confident	39 Å²	39	60.2 Å²	60.2	15%	0.153	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	134.1	174	-173.1	-89.6	0	0	0	109.8	L241 R245 M248 H249 V250 V472 E476	L241-Y243 WeakPolarHBondContact CD1-O 3.43Å; Y243-R245 HydrophobicContact CD1-CG 4.21Å; Y243-R245 HydrophobicContact CE1-CB 3.78Å; Y243-R245 HydrophobicContact CE1-CG 3.32Å; Y243-R245 HydrophobicContact CE2-CG 4.36Å; Y243-R245 VanDerWaalsContact CZ-CG 3.42Å; Y243-R245 VanDerWaalsContact OH-CG 3.3Å; Y243-R245 WeakPolarHBondContact OH-CG 3.4Å; Y243-M248 HydrophobicContact CD1-CE 4.5Å; Y243-M248 HydrophobicContact CD1-CG 4.43Å; Y243-M248 HydrophobicContact CE1-CB 4.4Å; Y243-M248 HydrophobicContact CE1-CG 4.38Å; Y243-H249 CarbonylContact O-C 3.51Å; Y243-H249 WeakPolarHBondContact O-CA 3.43Å; Y243-V250 HydrophobicContact CD1-CG2 4.23Å; Y243-V250 HydrophobicContact CG-CG2 4.35Å; Y243-V250 PolarHBondContact N-O 2.87Å; Y243-V250 PolarHBondContact O-N 2.87Å; Y243-V472 HydrophobicContact CD2-CG1 3.6Å; Y243-V472 HydrophobicContact CG-CG1 4.03Å; Y243-E476 VanDerWaalsContact CE2-CD 3.49Å; Y243-E476 HydrophobicContact CE2-CG 4.25Å; Y243-E476 WeakPolarHBondContact CE2-OE2 3.42Å; Y243-E476 PolarHBondContact OH-OE1 2.81Å
244	D	91.5	Very high	88.7	Confident	85 Å²	85	61 Å²	61	46%	0.455	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	111.6	-174.9	-177.9	2.8	0	0	0	110.1	L241 H249	L241-D244 HydrophobicContact CD1-CB 4.4Å; L241-D244 HydrophobicContact CD2-CB 4.08Å; L241-D244 HydrophobicContact CG-CB 4.42Å; D244-H249 IonicContact OD1-CD2 2.94Å; D244-H249 PolarHBondContact OD1-CD2 2.83Å; D244-H249 IonicContact OD1-NE2 2.87Å; D244-H249 PolarHBondContact OD1-NE2 3.26Å
245	R	88.6	Confident	88.4	Confident	150 Å²	150	62.1 Å²	62.1	57%	0.566	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.9	158	175.5	-67.1	-63	179.9	-115.8	7.4	110.2	Y243 S247 M248	Y243-R245 HydrophobicContact CD1-CG 4.21Å; Y243-R245 HydrophobicContact CE1-CB 3.78Å; Y243-R245 HydrophobicContact CE1-CG 3.32Å; Y243-R245 HydrophobicContact CE2-CG 4.36Å; Y243-R245 VanDerWaalsContact CZ-CG 3.42Å; Y243-R245 VanDerWaalsContact OH-CG 3.3Å; Y243-R245 WeakPolarHBondContact OH-CG 3.4Å; R245-S247 PolarHBondContact O-N 3.12Å; R245-M248 PolarHBondContact N-O 3.05Å; R245-M248 CarbonylContact O-C 3.56Å; R245-M248 PolarHBondContact O-N 3.16Å
246	T	80.7	Confident	87.6	Confident	135 Å²	135	66.6 Å²	66.6	83%	0.828	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-25.7	-175.1	52.1	0	0	0	0	115.8
247	S	83.5	Confident	86.2	Confident	48 Å²	48	66.4 Å²	66.4	34%	0.336	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-6.6	177.8	62.3	0	0	0	0	113.6	R245 G279 Q280 Y450	R245-S247 PolarHBondContact O-N 3.12Å; S247-G279 WeakPolarHBondContact O-CA 3.29Å; S247-Q280 PolarHBondContact O-N 2.89Å; S247-Y450 PolarHBondContact O-OH 3.43Å; S247-Y450 VanDerWaalsContact O-OH 3.12Å
248	M	92.3	Very high	84.5	Confident	8 Å²	8	61.8 Å²	61.8	4%	0.039	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	125.6	-170.8	-179.1	172.5	154.2	0	0	112	Y243 R245 V250 V277 C278 Y450 I475 E476 M479	Y243-M248 HydrophobicContact CD1-CE 4.5Å; Y243-M248 HydrophobicContact CD1-CG 4.43Å; Y243-M248 HydrophobicContact CE1-CB 4.4Å; Y243-M248 HydrophobicContact CE1-CG 4.38Å; R245-M248 PolarHBondContact N-O 3.05Å; R245-M248 CarbonylContact O-C 3.56Å; R245-M248 PolarHBondContact O-N 3.16Å; M248-V250 HydrophobicContact CE-CG2 3.25Å; M248-V250 HydrophobicContact CG-CG2 4.31Å; M248-V277 HydrophobicContact CE-CG1 3.89Å; M248-V277 HydrophobicContact CG-CG1 3.86Å; M248-V277 HydrophobicContact SD-CG1 4.28Å; M248-C278 WeakPolarHBondContact CA-O 3.4Å; M248-Y450 WeakPolarHBondContact CB-OH 3.36Å; M248-I475 HydrophobicContact CE-CB 4.41Å; M248-I475 HydrophobicContact CE-CG2 3.56Å; M248-E476 HydrophobicContact CE-CB 4.4Å; M248-M479 HydrophobicContact CE-CG 4.28Å; M248-M479 HydrophobicContact SD-CB 3.83Å; M248-M479 HydrophobicContact SD-CG 3.98Å
249	H	93.3	Very high	82.5	Confident	34 Å²	34	65 Å²	65	16%	0.157	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	141.1	172.1	-52.2	95.4	0	0	0	109.1	Y243 D244 W251 V277 C278	Y243-H249 CarbonylContact O-C 3.51Å; Y243-H249 WeakPolarHBondContact O-CA 3.43Å; D244-H249 IonicContact OD1-CD2 2.94Å; D244-H249 PolarHBondContact OD1-CD2 2.83Å; D244-H249 IonicContact OD1-NE2 2.87Å; D244-H249 PolarHBondContact OD1-NE2 3.26Å; H249-W251 HydrophobicContact CB-CE3 4.19Å; H249-W251 HydrophobicContact CB-CH2 3.13Å; H249-W251 HydrophobicContact CB-CZ2 3.9Å; H249-W251 HydrophobicContact CB-CZ3 3.31Å; H249-W251 AromaticContact CG-CH2 3.87Å; H249-V277 VanDerWaalsContact O-CA 3.26Å; H249-V277 WeakPolarHBondContact O-CA 3.41Å; H249-V277 WeakPolarHBondContact O-CG1 3.16Å; H249-C278 PolarHBondContact N-O 3.16Å; H249-C278 PolarHBondContact O-N 2.96Å
250	V	93.7	Very high	80.5	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	126	177.8	-172.8	0	0	0	0	109.6	V242 Y243 M248 Y275 R276 V277 I475	V242-V250 HydrophobicContact CG2-CB 4.02Å; V242-V250 HydrophobicContact CG2-CG1 3.76Å; V242-V250 VanDerWaalsContact CG2-O 3.27Å; V242-V250 WeakPolarHBondContact CG2-O 3.44Å; V242-V250 PolarHBondContact N-O 3.06Å; Y243-V250 HydrophobicContact CD1-CG2 4.23Å; Y243-V250 HydrophobicContact CG-CG2 4.35Å; Y243-V250 PolarHBondContact N-O 2.87Å; Y243-V250 PolarHBondContact O-N 2.87Å; M248-V250 HydrophobicContact CE-CG2 3.25Å; M248-V250 HydrophobicContact CG-CG2 4.31Å; V250-Y275 HydrophobicContact CG1-CD1 4.23Å; V250-R276 CarbonylContact C-O 3.58Å; V250-R276 WeakPolarHBondContact CA-O 3.09Å; V250-V277 HydrophobicContact CG1-CG2 4.15Å; V250-V277 HydrophobicContact CG2-CG1 4.07Å; V250-V277 HydrophobicContact CG2-CG2 4.16Å; V250-I475 HydrophobicContact CG1-CD1 4.28Å; V250-I475 HydrophobicContact CG2-CG2 4.39Å
251	W	92.7	Very high	78.5	Confident	24 Å²	24	72.3 Å²	72.3	9%	0.091	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	159.8	169.2	-59.9	-104	0	0	0	110.8	D230 V235 W239 E240 L241 H249 Y275 R276 C278	D230-W251 WeakPolarHBondContact O-CH2 3.47Å; V235-W251 HydrophobicContact CB-CD2 4.47Å; V235-W251 HydrophobicContact CB-CG 4.42Å; V235-W251 HydrophobicContact CG1-CB 4.08Å; V235-W251 HydrophobicContact CG1-CD2 3.86Å; V235-W251 HydrophobicContact CG1-CE3 4Å; V235-W251 HydrophobicContact CG1-CG 3.9Å; V235-W251 HydrophobicContact CG2-CD2 4.02Å; V235-W251 HydrophobicContact CG2-CG 4.3Å; V235-W251 HydrophobicContact CG2-CZ2 4.06Å; W239-W251 HydrophobicContact CB-CB 4.04Å; W239-W251 HydrophobicContact CB-CG 4.31Å; W239-W251 HydrophobicContact CD2-CB 4.33Å; W239-W251 HydrophobicContact CE3-CB 3.66Å; E240-W251 CarbonylContact O-C 3.57Å; E240-W251 WeakPolarHBondContact O-CA 3.43Å; L241-W251 HydrophobicContact CD1-CD2 4.01Å; L241-W251 HydrophobicContact CD1-CG 4.26Å; L241-W251 HydrophobicContact CD1-CZ2 3.95Å; H249-W251 HydrophobicContact CB-CE3 4.19Å; H249-W251 HydrophobicContact CB-CH2 3.13Å; H249-W251 HydrophobicContact CB-CZ2 3.9Å; H249-W251 HydrophobicContact CB-CZ3 3.31Å; H249-W251 AromaticContact CG-CH2 3.87Å; W251-Y275 WeakPolarHBondContact O-CA 3.26Å; W251-R276 PolarHBondContact N-O 3.26Å; W251-R276 PolarHBondContact O-N 3.47Å; W251-C278 WeakPolarHBondContact CZ3-SG 3.4Å
252	R	91.4	Very high	76.4	Confident	21 Å²	21	72 Å²	72	8%	0.079	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	156.3	168.7	73	-178.7	-176	152.2	6.8	112.1	W239 E240 V242 Y273 E274 Y275 K468	W239-R252 VanDerWaalsContact CE3-C 3.46Å; E240-R252 HydrophobicContact CB-CG 4.32Å; E240-R252 PolarHBondContact N-O 2.79Å; E240-R252 PolarHBondContact O-N 2.94Å; E240-R252 IonicContact OE1-NH2 2.66Å; E240-R252 IonicContact OE2-CZ 3.66Å; E240-R252 IonicContact OE2-NE 2.96Å; E240-R252 PolarHBondContact OE2-NE 3.37Å; E240-R252 IonicContact OE2-NH2 2.65Å; E240-R252 PolarHBondContact OE2-NH2 3.5Å; V242-R252 HydrophobicContact CG1-CG 3.72Å; R252-Y273 HydrophobicContact CB-CD1 4.16Å; R252-Y273 HydrophobicContact CG-CD1 3.89Å; R252-Y273 HydrophobicContact CG-CE1 4.33Å; R252-E274 CarbonylContact C-O 3.51Å; R252-E274 WeakPolarHBondContact CA-O 3.49Å; R252-E274 WeakPolarHBondContact CB-O 3.3Å; R252-Y275 HydrophobicContact CB-CD1 3.71Å; R252-Y275 HydrophobicContact CB-CE1 3.74Å; R252-Y275 HydrophobicContact CB-CG 4.35Å; R252-K468 VanDerWaalsContact NH1-CB 3.35Å
253	R	88	Confident	74.5	Confident	69 Å²	69	77.1 Å²	77.1	26%	0.26	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	144.1	172.9	-174.6	171	66.4	179.7	0.4	110.3	D236 S238 W239 L255 Y273 E274	D236-R253 IonicContact OD2-NH1 2.83Å; D236-R253 PolarHBondContact OD2-NH1 3.42Å; S238-R253 WeakPolarHBondContact OG-CD 3.46Å; S238-R253 PolarHBondContact OG-NH1 2.94Å; W239-R253 HydrophobicContact CD2-CB 3.93Å; W239-R253 HydrophobicContact CE3-CB 3.83Å; W239-R253 HydrophobicContact CH2-CB 4.16Å; W239-R253 HydrophobicContact CZ2-CB 4.24Å; W239-R253 HydrophobicContact CZ3-CB 3.96Å; R253-L255 PolarHBondContact O-N 2.85Å; R253-Y273 VanDerWaalsContact C-CD1 3.5Å; R253-Y273 CarbonylContact O-C 3.55Å; R253-Y273 VanDerWaalsContact O-CA 3.26Å; R253-Y273 WeakPolarHBondContact O-CA 3.47Å; R253-E274 PolarHBondContact N-O 3.46Å; R253-E274 PolarHBondContact O-N 2.83Å
254	P	84.8	Confident	72.3	Confident	67 Å²	67	87.1 Å²	87.1	44%	0.435	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	126.3	171.2	-24.3	34.4	0	0	0	110.9	T256 K272 Y273	P254-T256 PolarHBondContact O-N 3.31Å; P254-K272 CarbonylContact C-O 3.5Å; P254-K272 WeakPolarHBondContact CA-O 3.41Å; P254-Y273 HydrophobicContact CB-CE1 4.47Å; P254-Y273 HydrophobicContact CG-CD1 4.37Å; P254-Y273 HydrophobicContact CG-CE1 3.8Å
255	L	77.1	Confident	70.1	Confident	40 Å²	40	87.4 Å²	87.4	21%	0.209	47%	0.466	C	S	.	.			trans	-77.8	111.1	178.5	-174.7	69.1	0	0	0	108.8	R253 V257 K272 E274 Y455	R253-L255 PolarHBondContact O-N 2.85Å; L255-V257 PolarHBondContact O-N 3.23Å; L255-K272 HydrophobicContact CB-CB 4.06Å; L255-K272 HydrophobicContact CD2-CB 4.39Å; L255-K272 PolarHBondContact N-O 3.4Å; L255-E274 HydrophobicContact CD1-CB 4.23Å; L255-Y455 HydrophobicContact CD2-CD2 3.8Å; L255-Y455 HydrophobicContact CD2-CE2 4.03Å; L255-Y455 HydrophobicContact CD2-CG 4.08Å
256	T	67.6	Low	67.8	Low	126 Å²	126	84.9 Å²	84.9	77%	0.773	47%	0.469	S	S	*	.			trans	-84.4	99.7	175.5	-50.7	0	0	0	0	108.3	P254 P258	P254-T256 PolarHBondContact O-N 3.31Å; T256-P258 WeakPolarHBondContact O-CD 3.38Å
257	V	57.1	Low	66.1	Low	79 Å²	79	84.6 Å²	84.6	48%	0.479	47%	0.469	S	S	.	.			trans	-73.5	126.1	173.7	-175.8	0	0	0	0	108.3	L255 Q259	L255-V257 PolarHBondContact O-N 3.23Å; V257-Q259 PolarHBondContact O-N 3.34Å
258	P	52.9	Low	64.2	Low	107 Å²	107	90.6 Å²	90.6	70%	0.695	49%	0.489	S	S	*	.			trans	-57.8	112.6	172.4	-21.6	32.6	0	0	0	109.5	T256 V260	T256-P258 WeakPolarHBondContact O-CD 3.38Å; P258-V260 PolarHBondContact O-N 2.93Å; P258-V260 VanDerWaalsContact O-N 3.12Å
259	Q	45.9	Very low	62.3	Low	133 Å²	133	94.7 Å²	94.7	62%	0.621	52%	0.519	S	S	*	.			trans	-74.1	101.1	175.4	-67.4	-103.9	-10.4	0	0	107.6	V257 N261 E263	V257-Q259 PolarHBondContact O-N 3.34Å; Q259-N261 PolarHBondContact O-N 2.95Å; Q259-N261 VanDerWaalsContact O-N 3.07Å; Q259-E263 PolarHBondContact OE1-O 3.03Å
260	V	49.4	Very low	60.4	Low	116 Å²	116	97.5 Å²	97.5	70%	0.703	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-16.8	-174.4	178.5	0	0	0	0	113	P258	P258-V260 PolarHBondContact O-N 2.93Å; P258-V260 VanDerWaalsContact O-N 3.12Å
261	N	48.8	Very low	59.1	Low	131 Å²	131	100.4 Å²	100.4	70%	0.701	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.9	18.3	-170.2	-68	-1.4	0	0	0	116.1	Q259 E263	Q259-N261 PolarHBondContact O-N 2.95Å; Q259-N261 VanDerWaalsContact O-N 3.07Å; N261-E263 PolarHBondContact O-N 2.86Å
262	G	48.4	Very low	58.4	Low	74 Å²	74	101.5 Å²	101.5	76%	0.763	57%	0.565	S	S	*	*			trans	60.6	-5.7	171.5	0	0	0	0	0	116.9	R264	G262-R264 PolarHBondContact O-N 2.91Å; G262-R264 VanDerWaalsContact O-N 3.1Å
263	E	47.5	Very low	58.1	Low	134 Å²	134	103.3 Å²	103.3	63%	0.626	57%	0.572	S	S	*	*			trans	-74.1	105	177.5	-73	-172.2	169.6	0	0	108.5	Q259 N261 N265	Q259-E263 PolarHBondContact OE1-O 3.03Å; N261-E263 PolarHBondContact O-N 2.86Å; E263-N265 PolarHBondContact O-N 3.08Å
264	R	43.4	Very low	58.1	Low	248 Å²	248	101 Å²	101	94%	0.936	56%	0.564	S	S	*	*			trans	-65.3	67.6	171.1	-162.9	-171.2	-144.6	-133.1	6.9	109.7	G262	G262-R264 PolarHBondContact O-N 2.91Å; G262-R264 VanDerWaalsContact O-N 3.1Å
265	N	44	Very low	58.4	Low	91 Å²	91	98.3 Å²	98.3	49%	0.487	55%	0.545	S	S	.	.			trans	-58.7	132.3	163.4	-80.6	-53.8	0	0	0	106.7	E263	E263-N265 PolarHBondContact O-N 3.08Å
266	P	41.2	Very low	59.1	Low	97 Å²	97	98.8 Å²	98.8	63%	0.63	54%	0.544	S	S	*	.			trans	-51.4	145.8	179.6	22.7	-32.9	0	0	0	108.5	K268	P266-K268 VanDerWaalsContact C-N 3.32Å; P266-K268 PolarHBondContact O-N 3.08Å
267	P	44.2	Very low	60.3	Low	129 Å²	129	92.8 Å²	92.8	84%	0.838	51%	0.507	S	S	*	.			trans	-50.9	100.7	-174	21.8	-33	0	0	0	107.9	S269	P267-S269 PolarHBondContact O-N 3.21Å
268	K	45.5	Very low	62.1	Low	174 Å²	174	89 Å²	89	76%	0.757	48%	0.484	S	S	*	.			trans	-58.2	120.5	173.8	-89.5	179.1	175.8	173.5	0	102.9	P266 N270	P266-K268 VanDerWaalsContact C-N 3.32Å; P266-K268 PolarHBondContact O-N 3.08Å; K268-N270 PolarHBondContact O-N 2.84Å
269	S	50.5	Low	64	Low	94 Å²	94	84 Å²	84	66%	0.657	45%	0.452	S	S	*	.	S	Bend	trans	-61	8	-173	55.9	0	0	0	0	114.5	P267 A271 N463	P267-S269 PolarHBondContact O-N 3.21Å; S269-A271 VanDerWaalsContact C-N 3.34Å; S269-A271 PolarHBondContact O-N 2.99Å; S269-N463 PolarHBondContact O-ND2 2.79Å; S269-N463 PolarHBondContact OG-ND2 3.47Å
270	N	55.3	Low	66.3	Low	94 Å²	94	80 Å²	80	50%	0.503	43%	0.433	S	S	.	.			trans	-95.2	66.1	174.4	-61.6	15.5	0	0	0	107.9	K268 K272 N463	K268-N270 PolarHBondContact O-N 2.84Å; N270-K272 PolarHBondContact O-N 2.85Å; N270-N463 PolarHBondContact OD1-ND2 3.44Å; N270-N463 PolarHBondContact OD1-OD1 2.88Å
271	A	65.8	Low	68.5	Low	60 Å²	60	75.2 Å²	75.2	50%	0.496	40%	0.404	S	S	.	.			trans	-61.2	107.5	167.6	0	0	0	0	0	107.6	S269 Y273	S269-A271 VanDerWaalsContact C-N 3.34Å; S269-A271 PolarHBondContact O-N 2.99Å; A271-Y273 HydrophobicContact CB-CE2 4.17Å; A271-Y273 VanDerWaalsContact O-CD2 3.24Å; A271-Y273 WeakPolarHBondContact O-CD2 3.32Å; A271-Y273 VanDerWaalsContact O-CE2 3.3Å; A271-Y273 WeakPolarHBondContact O-CE2 3.32Å
272	K	76.9	Confident	70.7	Confident	48 Å²	48	77.5 Å²	77.5	21%	0.209	40%	0.402	C	S	.	.			trans	-68.4	154.3	169	-66.1	-177	179.7	-170.3	0	108.1	P254 L255 N270 E430 D457	P254-K272 CarbonylContact C-O 3.5Å; P254-K272 WeakPolarHBondContact CA-O 3.41Å; L255-K272 HydrophobicContact CB-CB 4.06Å; L255-K272 HydrophobicContact CD2-CB 4.39Å; L255-K272 PolarHBondContact N-O 3.4Å; N270-K272 PolarHBondContact O-N 2.85Å; K272-E430 IonicContact NZ-OE1 2.79Å; K272-E430 PolarHBondContact NZ-OE1 2.62Å; K272-E430 VanDerWaalsContact NZ-OE1 3.1Å; K272-E430 IonicContact NZ-OE2 2.75Å; K272-E430 PolarHBondContact NZ-OE2 3.23Å; K272-D457 WeakPolarHBondContact CE-OD2 3.21Å; K272-D457 IonicContact NZ-OD2 2.64Å; K272-D457 PolarHBondContact NZ-OD2 2.94Å
273	Y	85.2	Confident	73	Confident	58 Å²	58	77 Å²	77	23%	0.227	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	137.2	179.3	-74.8	-94.5	0	0	0	110.3	R252 R253 P254 A271 Y455	R252-Y273 HydrophobicContact CB-CD1 4.16Å; R252-Y273 HydrophobicContact CG-CD1 3.89Å; R252-Y273 HydrophobicContact CG-CE1 4.33Å; R253-Y273 VanDerWaalsContact C-CD1 3.5Å; R253-Y273 CarbonylContact O-C 3.55Å; R253-Y273 VanDerWaalsContact O-CA 3.26Å; R253-Y273 WeakPolarHBondContact O-CA 3.47Å; P254-Y273 HydrophobicContact CB-CE1 4.47Å; P254-Y273 HydrophobicContact CG-CD1 4.37Å; P254-Y273 HydrophobicContact CG-CE1 3.8Å; A271-Y273 HydrophobicContact CB-CE2 4.17Å; A271-Y273 VanDerWaalsContact O-CD2 3.24Å; A271-Y273 WeakPolarHBondContact O-CD2 3.32Å; A271-Y273 VanDerWaalsContact O-CE2 3.3Å; A271-Y273 WeakPolarHBondContact O-CE2 3.32Å; Y273-Y455 WeakPolarHBondContact O-CB 3.25Å
274	E	88.2	Confident	75.4	Confident	21 Å²	21	70.7 Å²	70.7	10%	0.098	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	137.5	160.3	-168.4	-171	149.8	0	0	108.3	W239 R252 R253 L255 R276 I453 Y455	W239-E274 HydrophobicContact CH2-CB 3.96Å; W239-E274 VanDerWaalsContact CH2-CD 3.47Å; W239-E274 HydrophobicContact CH2-CG 3.75Å; W239-E274 WeakPolarHBondContact CH2-OE1 3.46Å; W239-E274 HydrophobicContact CZ3-CB 4.48Å; W239-E274 WeakPolarHBondContact CZ3-O 3.27Å; R252-E274 CarbonylContact C-O 3.51Å; R252-E274 WeakPolarHBondContact CA-O 3.49Å; R252-E274 WeakPolarHBondContact CB-O 3.3Å; R253-E274 PolarHBondContact N-O 3.46Å; R253-E274 PolarHBondContact O-N 2.83Å; L255-E274 HydrophobicContact CD1-CB 4.23Å; E274-R276 IonicContact OE1-CZ 2.87Å; E274-R276 IonicContact OE1-NE 3.33Å; E274-R276 PolarHBondContact OE1-NE 3.39Å; E274-R276 IonicContact OE1-NH2 2.91Å; E274-R276 PolarHBondContact OE1-NH2 2.98Å; E274-R276 VanDerWaalsContact OE1-NH2 3.16Å; E274-I453 HydrophobicContact CG-CG2 4.07Å; E274-I453 WeakPolarHBondContact OE1-CG2 3.27Å; E274-Y455 HydrophobicContact CG-CD1 4.31Å
275	Y	90.7	Very high	77.8	Confident	10 Å²	10	59.2 Å²	59.2	4%	0.039	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	138.6	174.5	-64.6	-95.5	0	0	0	109.7	V250 W251 R252 I453 Y454 S471 I475	V250-Y275 HydrophobicContact CG1-CD1 4.23Å; W251-Y275 WeakPolarHBondContact O-CA 3.26Å; R252-Y275 HydrophobicContact CB-CD1 3.71Å; R252-Y275 HydrophobicContact CB-CE1 3.74Å; R252-Y275 HydrophobicContact CB-CG 4.35Å; Y275-I453 CarbonylContact O-C 3.5Å; Y275-I453 WeakPolarHBondContact O-CA 3.26Å; Y275-Y454 WeakPolarHBondContact CB-O 3.46Å; Y275-Y454 HydrophobicContact CD2-CD1 4.23Å; Y275-Y454 PolarHBondContact N-O 2.81Å; Y275-Y454 PolarHBondContact O-N 2.88Å; Y275-S471 VanDerWaalsContact OH-CB 3.26Å; Y275-S471 WeakPolarHBondContact OH-CB 3.19Å; Y275-S471 PolarHBondContact OH-OG 2.76Å; Y275-I475 HydrophobicContact CD1-CD1 3.76Å; Y275-I475 HydrophobicContact CE1-CD1 4.4Å; Y275-I475 HydrophobicContact CG-CD1 3.89Å
276	R	92.9	Very high	80.3	Confident	50 Å²	50	54.9 Å²	54.9	19%	0.189	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	128.8	172.1	-82.5	-174.5	-169.1	-171.4	4	108.9	F234 V235 W239 V250 W251 E274 L452 I453	F234-R276 HydrophobicContact CD1-CB 4.14Å; F234-R276 HydrophobicContact CE1-CB 3.51Å; F234-R276 HydrophobicContact CE1-CG 3.85Å; F234-R276 HydrophobicContact CE2-CG 4.35Å; F234-R276 HydrophobicContact CZ-CB 3.91Å; F234-R276 HydrophobicContact CZ-CG 3.72Å; F234-R276 WeakPolarHBondContact O-CD 3.21Å; F234-R276 PolarHBondContact O-NH1 3.22Å; V235-R276 HydrophobicContact CG1-CB 4.05Å; W239-R276 HydrophobicContact CE3-CB 4.26Å; W239-R276 HydrophobicContact CE3-CG 4.47Å; W239-R276 HydrophobicContact CH2-CB 4.08Å; W239-R276 VanDerWaalsContact CH2-CD 3.43Å; W239-R276 HydrophobicContact CH2-CG 3.45Å; W239-R276 VanDerWaalsContact CH2-CG 3.45Å; W239-R276 VanDerWaalsContact CZ2-CD 3.43Å; W239-R276 HydrophobicContact CZ2-CG 4.02Å; W239-R276 HydrophobicContact CZ3-CB 3.79Å; W239-R276 HydrophobicContact CZ3-CG 3.71Å; V250-R276 CarbonylContact C-O 3.58Å; V250-R276 WeakPolarHBondContact CA-O 3.09Å; W251-R276 PolarHBondContact N-O 3.26Å; W251-R276 PolarHBondContact O-N 3.47Å; E274-R276 IonicContact OE1-CZ 2.87Å; E274-R276 IonicContact OE1-NE 3.33Å; E274-R276 PolarHBondContact OE1-NE 3.39Å; E274-R276 IonicContact OE1-NH2 2.91Å; E274-R276 PolarHBondContact OE1-NH2 2.98Å; E274-R276 VanDerWaalsContact OE1-NH2 3.16Å; R276-L452 CarbonylContact C-O 3.54Å; R276-L452 WeakPolarHBondContact CA-O 3.25Å; R276-I453 HydrophobicContact CG-CG1 4.16Å
277	V	93.6	Very high	82.8	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	130.9	-178.3	-170.9	0	0	0	0	108.2	M248 H249 V250 Y450 Y451 L452 I475	M248-V277 HydrophobicContact CE-CG1 3.89Å; M248-V277 HydrophobicContact CG-CG1 3.86Å; M248-V277 HydrophobicContact SD-CG1 4.28Å; H249-V277 VanDerWaalsContact O-CA 3.26Å; H249-V277 WeakPolarHBondContact O-CA 3.41Å; H249-V277 WeakPolarHBondContact O-CG1 3.16Å; V250-V277 HydrophobicContact CG1-CG2 4.15Å; V250-V277 HydrophobicContact CG2-CG1 4.07Å; V250-V277 HydrophobicContact CG2-CG2 4.16Å; V277-Y450 HydrophobicContact CG1-CE2 4.05Å; V277-Y451 CarbonylContact O-C 3.59Å; V277-Y451 WeakPolarHBondContact O-CA 3.14Å; V277-L452 HydrophobicContact CB-CB 4.13Å; V277-L452 HydrophobicContact CB-CD2 4.49Å; V277-L452 HydrophobicContact CG2-CD2 4.2Å; V277-L452 HydrophobicContact CG2-CG 4.48Å; V277-L452 PolarHBondContact N-O 3.28Å; V277-L452 PolarHBondContact O-N 3.33Å; V277-I475 HydrophobicContact CG1-CG2 4.46Å; V277-I475 HydrophobicContact CG2-CG2 3.62Å
278	C	93.2	Very high	85.2	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	155.2	168.2	72.2	0	0	0	0	111.1	P229 F234 M248 H249 W251 Y450 Y451	P229-C278 PolarHBondContact O-SG 3.33Å; F234-C278 HydrophobicContact CD1-CB 4.21Å; F234-C278 HydrophobicContact CE1-CB 4.38Å; M248-C278 WeakPolarHBondContact CA-O 3.4Å; H249-C278 PolarHBondContact N-O 3.16Å; H249-C278 PolarHBondContact O-N 2.96Å; W251-C278 WeakPolarHBondContact CZ3-SG 3.4Å; C278-Y450 VanDerWaalsContact CA-O 3.25Å; C278-Y450 WeakPolarHBondContact CA-O 3.05Å; C278-Y451 HydrophobicContact CB-CD1 3.42Å; C278-Y451 VanDerWaalsContact CB-CD1 3.42Å; C278-Y451 HydrophobicContact CB-CE1 3.71Å; C278-Y451 HydrophobicContact CB-CG 4.42Å
279	G	92.7	Very high	87.7	Confident	2 Å²	2	37.3 Å²	37.3	2%	0.021	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.8	-178.2	-178.2	0	0	0	0	0	112.7	S247 N449 Y450	S247-G279 WeakPolarHBondContact O-CA 3.29Å; G279-N449 WeakPolarHBondContact O-CA 3.08Å; G279-Y450 PolarHBondContact N-O 3.49Å; G279-Y450 VanDerWaalsContact N-O 3.08Å; G279-Y450 WeakPolarHBondContact O-CD1 3.49Å; G279-Y450 PolarHBondContact O-N 3.41Å
280	Q	93.9	Very high	89.8	Confident	48 Å²	48	32.9 Å²	32.9	22%	0.224	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	142.9	-177.8	56.1	163.8	44.4	0	0	110.9	S247 R282 L448	S247-Q280 PolarHBondContact O-N 2.89Å; Q280-R282 VanDerWaalsContact NE2-CZ 3.32Å; Q280-R282 VanDerWaalsContact NE2-NH2 3.11Å; Q280-L448 WeakPolarHBondContact CA-O 3.27Å
281	F	95.7	Very high	91.8	Very high	17 Å²	17	29.1 Å²	29.1	8%	0.075	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	133	166.4	-60.6	-59.1	0	0	0	109.3	I284 F289 G447 L448 Y450 M479 H483	F281-I284 HydrophobicContact CB-CD1 3.96Å; F281-I284 HydrophobicContact CB-CG1 3.57Å; F281-I284 HydrophobicContact CD2-CD1 3.78Å; F281-I284 HydrophobicContact CD2-CG1 4.36Å; F281-I284 HydrophobicContact CG-CD1 4Å; F281-I284 HydrophobicContact CG-CG1 4.17Å; F281-F289 HydrophobicContact CD2-CE2 4.32Å; F281-F289 HydrophobicContact CE2-CD2 4.45Å; F281-F289 AromaticContact CE2-CE2 3.86Å; F281-F289 HydrophobicContact CE2-CE2 3.86Å; F281-F289 HydrophobicContact CE2-CZ 4.36Å; F281-G447 CarbonylContact O-C 3.54Å; F281-G447 VanDerWaalsContact O-CA 3.28Å; F281-G447 WeakPolarHBondContact O-CA 3.14Å; F281-L448 HydrophobicContact CB-CG 4.3Å; F281-L448 HydrophobicContact CD2-CD1 4.1Å; F281-L448 PolarHBondContact N-O 2.9Å; F281-L448 PolarHBondContact O-N 2.73Å; F281-Y450 AromaticContact CD2-CD1 3.8Å; F281-Y450 HydrophobicContact CD2-CD1 3.8Å; F281-Y450 AromaticContact CD2-CE1 3.72Å; F281-Y450 HydrophobicContact CD2-CE1 3.72Å; F281-Y450 HydrophobicContact CE1-CE1 4.32Å; F281-Y450 AromaticContact CE2-CD1 3.62Å; F281-Y450 HydrophobicContact CE2-CD1 3.62Å; F281-Y450 AromaticContact CE2-CE1 3.26Å; F281-Y450 HydrophobicContact CE2-CE1 3.26Å; F281-Y450 HydrophobicContact CG-CE1 4.42Å; F281-Y450 HydrophobicContact CZ-CD1 4.4Å; F281-Y450 AromaticContact CZ-CE1 3.6Å; F281-Y450 HydrophobicContact CZ-CE1 3.6Å; F281-M479 HydrophobicContact CE2-CE 4.39Å; F281-H483 HydrophobicContact CD1-CB 4.38Å; F281-H483 AromaticContact CD1-CD2 3.2Å; F281-H483 WeakPolarHBondContact CD1-CD2 3.48Å; F281-H483 AromaticContact CD1-CG 3.87Å; F281-H483 AromaticContact CD1-NE2 3.76Å; F281-H483 HydrophobicContact CE1-CB 3.76Å; F281-H483 AromaticContact CE1-CD2 3.48Å; F281-H483 VanDerWaalsContact CE1-CD2 3.48Å; F281-H483 WeakPolarHBondContact CE1-CD2 3.13Å; F281-H483 AromaticContact CE1-CG 3.64Å; F281-H483 HydrophobicContact CE2-CB 4.19Å; F281-H483 AromaticContact CG-CD2 3.57Å; F281-H483 HydrophobicContact CZ-CB 3.66Å
282	R	95.8	Very high	93.2	Very high	178 Å²	178	26.2 Å²	26.2	67%	0.672	12%	0.116	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-105.9	-11.1	-177	-65.3	-178.6	-178.8	163.9	-1.5	113.3	Q280	Q280-R282 VanDerWaalsContact NE2-CZ 3.32Å; Q280-R282 VanDerWaalsContact NE2-NH2 3.11Å
283	D	96.9	Very high	94.1	Very high	65 Å²	65	25.3 Å²	25.3	35%	0.348	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	-2.8	-169.2	60.1	-23.6	0	0	0	113.5	N446 H483 L487	D283-N446 PolarHBondContact O-ND2 3.07Å; D283-H483 VanDerWaalsContact CG-NE2 3.32Å; D283-H483 IonicContact OD1-CD2 2.86Å; D283-H483 IonicContact OD1-CE1 3.05Å; D283-H483 IonicContact OD1-NE2 3.28Å; D283-H483 PolarHBondContact OD1-NE2 3.08Å; D283-H483 IonicContact OD2-CE1 3.15Å; D283-H483 PolarHBondContact OD2-CE1 3.4Å; D283-H483 VanDerWaalsContact OD2-CE1 3.29Å; D283-H483 IonicContact OD2-NE2 2.61Å; D283-H483 PolarHBondContact OD2-NE2 2.95Å; D283-L487 HydrophobicContact CB-CD1 4.45Å
284	I	97.2	Very high	94.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	156	175.3	59.5	167.4	0	0	0	110.3	F281 F289 N446 G447 L448 A486 L487	F281-I284 HydrophobicContact CB-CD1 3.96Å; F281-I284 HydrophobicContact CB-CG1 3.57Å; F281-I284 HydrophobicContact CD2-CD1 3.78Å; F281-I284 HydrophobicContact CD2-CG1 4.36Å; F281-I284 HydrophobicContact CG-CD1 4Å; F281-I284 HydrophobicContact CG-CG1 4.17Å; I284-F289 HydrophobicContact CD1-CB 4.24Å; I284-F289 HydrophobicContact CD1-CD2 3.78Å; I284-F289 HydrophobicContact CD1-CG 4.39Å; I284-N446 WeakPolarHBondContact O-CA 3.29Å; I284-G447 PolarHBondContact O-N 2.58Å; I284-L448 HydrophobicContact CD1-CD2 4.11Å; I284-L448 HydrophobicContact CG1-CD2 4.01Å; I284-A486 HydrophobicContact CB-CB 4.36Å; I284-A486 HydrophobicContact CD1-CB 3.59Å; I284-A486 HydrophobicContact CG2-CB 4.24Å; I284-L487 HydrophobicContact CG2-CB 3.89Å; I284-L487 HydrophobicContact CG2-CD1 3.79Å; I284-L487 HydrophobicContact CG2-CG 4.48Å
285	S	95.3	Very high	94.8	Very high	7 Å²	7	21.8 Å²	21.8	5%	0.049	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	156.5	178.2	67.3	0	0	0	0	112.3	S287 S288 F289 N444 Q445 N446	S285-S287 PolarHBondContact O-N 2.63Å; S285-S287 PolarHBondContact OG-OG 3.1Å; S285-S288 PolarHBondContact N-OG 3.12Å; S285-S288 PolarHBondContact O-N 3.25Å; S285-S288 PolarHBondContact O-OG 3.42Å; S285-S288 VanDerWaalsContact O-OG 3.09Å; S285-S288 PolarHBondContact OG-N 2.98Å; S285-S288 PolarHBondContact OG-OG 2.9Å; S285-F289 PolarHBondContact O-N 2.77Å; S285-N444 VanDerWaalsContact CB-C 3.46Å; S285-N444 WeakPolarHBondContact CB-O 3.4Å; S285-Q445 VanDerWaalsContact CA-O 3.23Å; S285-Q445 WeakPolarHBondContact CA-O 3.39Å; S285-Q445 WeakPolarHBondContact CB-O 3.39Å; S285-N446 PolarHBondContact N-OD1 2.88Å
286	A	94.9	Very high	95	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-59.8	-36	174.8	0	0	0	0	0	111.8	F289 L290 I437 F443 L448	A286-F289 PolarHBondContact O-N 2.93Å; A286-L290 WeakPolarHBondContact O-CB 3.33Å; A286-L290 PolarHBondContact O-N 3.48Å; A286-I437 HydrophobicContact CB-CG2 3.73Å; A286-F443 HydrophobicContact CB-CD2 3.58Å; A286-F443 HydrophobicContact CB-CE2 3.46Å; A286-F443 VanDerWaalsContact CB-CE2 3.46Å; A286-F443 HydrophobicContact CB-CG 4.17Å; A286-F443 HydrophobicContact CB-CZ 3.94Å; A286-F443 PolarHBondContact N-O 3.3Å; A286-L448 HydrophobicContact CB-CB 4.26Å
287	S	94	Very high	95.1	Very high	22 Å²	22	23.4 Å²	23.4	15%	0.154	11%	0.111	C	C	.	.	H	α-helix	trans	-61	-46.3	174.9	69.7	0	0	0	0	113.4	S285 L290 E291 F443 N444	S285-S287 PolarHBondContact O-N 2.63Å; S285-S287 PolarHBondContact OG-OG 3.1Å; S287-L290 PolarHBondContact O-N 2.87Å; S287-E291 WeakPolarHBondContact O-CB 3.41Å; S287-E291 PolarHBondContact O-N 3.49Å; S287-F443 WeakPolarHBondContact CB-O 3.26Å; S287-F443 PolarHBondContact N-O 3.22Å; S287-N444 WeakPolarHBondContact CB-OD1 3.47Å; S287-N444 PolarHBondContact OG-OD1 3.15Å
288	S	95.9	Very high	95.2	Very high	10 Å²	10	24 Å²	24	7%	0.07	11%	0.114	C	C	.	.	H	α-helix	trans	-70.1	-38.4	179.5	70	0	0	0	0	110.8	S285 E291 V292 C490	S285-S288 PolarHBondContact N-OG 3.12Å; S285-S288 PolarHBondContact O-N 3.25Å; S285-S288 PolarHBondContact O-OG 3.42Å; S285-S288 VanDerWaalsContact O-OG 3.09Å; S285-S288 PolarHBondContact OG-N 2.98Å; S285-S288 PolarHBondContact OG-OG 2.9Å; S288-E291 WeakPolarHBondContact O-CB 3.4Å; S288-E291 PolarHBondContact O-N 2.91Å; S288-V292 WeakPolarHBondContact O-CG2 3.1Å; S288-V292 PolarHBondContact O-N 2.84Å; S288-V292 VanDerWaalsContact O-N 3.1Å; S288-C490 PolarHBondContact OG-SG 2.5Å
289	F	97.1	Very high	95.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63.4	-43.5	175.7	-167.4	-107	0	0	0	112.2	F281 I284 S285 A286 V292 Q293 M435 I437 L448 M479 L482 A486	F281-F289 HydrophobicContact CD2-CE2 4.32Å; F281-F289 HydrophobicContact CE2-CD2 4.45Å; F281-F289 AromaticContact CE2-CE2 3.86Å; F281-F289 HydrophobicContact CE2-CE2 3.86Å; F281-F289 HydrophobicContact CE2-CZ 4.36Å; I284-F289 HydrophobicContact CD1-CB 4.24Å; I284-F289 HydrophobicContact CD1-CD2 3.78Å; I284-F289 HydrophobicContact CD1-CG 4.39Å; S285-F289 PolarHBondContact O-N 2.77Å; A286-F289 PolarHBondContact O-N 2.93Å; F289-V292 PolarHBondContact O-N 3.13Å; F289-Q293 WeakPolarHBondContact O-CG 3.12Å; F289-Q293 PolarHBondContact O-N 2.9Å; F289-M435 HydrophobicContact CE1-CE 4.42Å; F289-M435 HydrophobicContact CE1-SD 3.58Å; F289-M435 VanDerWaalsContact CE1-SD 3.58Å; F289-M435 HydrophobicContact CZ-CE 4.49Å; F289-M435 HydrophobicContact CZ-SD 4.19Å; F289-I437 HydrophobicContact CD1-CD1 3.72Å; F289-I437 HydrophobicContact CD1-CG1 3.9Å; F289-I437 HydrophobicContact CD1-CG2 4.46Å; F289-I437 HydrophobicContact CE1-CD1 4.24Å; F289-I437 HydrophobicContact CE1-CG1 4.16Å; F289-L448 HydrophobicContact CB-CD2 3.6Å; F289-L448 HydrophobicContact CD1-CD1 4.44Å; F289-L448 HydrophobicContact CD1-CD2 4.45Å; F289-L448 HydrophobicContact CG-CD2 4.01Å; F289-M479 HydrophobicContact CE2-CE 4.47Å; F289-M479 HydrophobicContact CZ-CE 3.89Å; F289-L482 HydrophobicContact CE2-CB 3.93Å; F289-L482 HydrophobicContact CZ-CD1 4.32Å; F289-A486 HydrophobicContact CD2-CB 4.33Å
290	L	95.6	Very high	95.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.6	-42.6	175.2	-177.6	65.1	0	0	0	111.9	A286 S287 V292 Q293 L294 I349 A390 I437 F443 Y503	A286-L290 WeakPolarHBondContact O-CB 3.33Å; A286-L290 PolarHBondContact O-N 3.48Å; S287-L290 PolarHBondContact O-N 2.87Å; L290-V292 VanDerWaalsContact C-N 3.27Å; L290-V292 PolarHBondContact O-N 2.96Å; L290-Q293 WeakPolarHBondContact O-CB 3.44Å; L290-Q293 PolarHBondContact O-N 2.91Å; L290-Q293 VanDerWaalsContact O-N 3.08Å; L290-L294 HydrophobicContact CD1-CD1 3.76Å; L290-L294 HydrophobicContact CD1-CG 3.95Å; L290-L294 HydrophobicContact CD2-CD1 4.25Å; L290-L294 HydrophobicContact CG-CD1 3.74Å; L290-L294 HydrophobicContact CG-CG 4.24Å; L290-L294 WeakPolarHBondContact O-CG 3.44Å; L290-L294 PolarHBondContact O-N 3.37Å; L290-I349 HydrophobicContact CD2-CD1 3.52Å; L290-I349 HydrophobicContact CD2-CG1 3.79Å; L290-A390 HydrophobicContact CD1-CB 4.3Å; L290-A390 HydrophobicContact CD2-CB 3.99Å; L290-I437 HydrophobicContact CB-CD1 4.09Å; L290-I437 HydrophobicContact CD1-CD1 3.94Å; L290-F443 HydrophobicContact CB-CE1 4.48Å; L290-F443 HydrophobicContact CB-CZ 4.28Å; L290-F443 HydrophobicContact CD2-CE1 3.99Å; L290-F443 HydrophobicContact CD2-CZ 3.86Å; L290-Y503 HydrophobicContact CD2-CD1 4.3Å; L290-Y503 HydrophobicContact CD2-CE1 3.69Å; L290-Y503 HydrophobicContact CG-CE1 4.21Å
291	E	95.5	Very high	95.6	Very high	15 Å²	15	34.4 Å²	34.4	7%	0.07	16%	0.155	C	C	.	.	H	α-helix	trans	-55.6	-44	175.9	-177.3	63.9	-153	0	0	111.2	S287 S288 Q293 L294 N295 L489 P500 I501 Y503	S287-E291 WeakPolarHBondContact O-CB 3.41Å; S287-E291 PolarHBondContact O-N 3.49Å; S288-E291 WeakPolarHBondContact O-CB 3.4Å; S288-E291 PolarHBondContact O-N 2.91Å; E291-Q293 VanDerWaalsContact C-N 3.34Å; E291-Q293 PolarHBondContact O-N 3.37Å; E291-L294 PolarHBondContact O-N 2.97Å; E291-N295 WeakPolarHBondContact O-CB 3.41Å; E291-N295 PolarHBondContact O-N 3.39Å; E291-N295 PolarHBondContact OE1-ND2 2.94Å; E291-L489 HydrophobicContact CB-CD1 4.04Å; E291-L489 HydrophobicContact CG-CD1 3.78Å; E291-P500 WeakPolarHBondContact OE1-CA 3.2Å; E291-I501 PolarHBondContact OE1-N 2.87Å; E291-I501 WeakPolarHBondContact OE2-CB 3.37Å; E291-I501 PolarHBondContact OE2-N 3.42Å; E291-I501 VanDerWaalsContact OE2-N 3.13Å; E291-Y503 WeakPolarHBondContact CA-OH 3.47Å; E291-Y503 PolarHBondContact N-OH 2.98Å; E291-Y503 PolarHBondContact OE2-OH 2.92Å
292	V	96.7	Very high	95.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63.1	-38.3	176.9	176.2	0	0	0	0	112.6	S288 F289 L290 Y298 W302 L482 A485 A486 L489	S288-V292 WeakPolarHBondContact O-CG2 3.1Å; S288-V292 PolarHBondContact O-N 2.84Å; S288-V292 VanDerWaalsContact O-N 3.1Å; F289-V292 PolarHBondContact O-N 3.13Å; L290-V292 VanDerWaalsContact C-N 3.27Å; L290-V292 PolarHBondContact O-N 2.96Å; V292-Y298 HydrophobicContact CG2-CD1 4.16Å; V292-Y298 HydrophobicContact CG2-CE1 3.84Å; V292-W302 HydrophobicContact CG1-CH2 4.13Å; V292-W302 HydrophobicContact CG1-CZ2 3.28Å; V292-L482 HydrophobicContact CG1-CD2 3.54Å; V292-A485 HydrophobicContact CG1-CB 3.83Å; V292-A485 HydrophobicContact CG2-CB 4.06Å; V292-A486 HydrophobicContact CG2-CB 3.91Å; V292-L489 HydrophobicContact CG2-CD1 3.51Å; V292-L489 HydrophobicContact CG2-CG 4.27Å
293	Q	94.5	Very high	95.6	Very high	28 Å²	28	27.7 Å²	27.7	13%	0.131	13%	0.129	C	C	.	.	H	α-helix	trans	-67.7	-38.4	177.3	-66.4	-63	-22.8	0	0	112.2	F289 L290 E291 R345 L392 M435	F289-Q293 WeakPolarHBondContact O-CG 3.12Å; F289-Q293 PolarHBondContact O-N 2.9Å; L290-Q293 WeakPolarHBondContact O-CB 3.44Å; L290-Q293 PolarHBondContact O-N 2.91Å; L290-Q293 VanDerWaalsContact O-N 3.08Å; E291-Q293 VanDerWaalsContact C-N 3.34Å; E291-Q293 PolarHBondContact O-N 3.37Å; Q293-R345 PolarHBondContact O-NH1 3.06Å; Q293-R345 VanDerWaalsContact O-NH1 3.07Å; Q293-L392 HydrophobicContact CB-CD2 3.79Å; Q293-L392 HydrophobicContact CG-CD2 4.25Å; Q293-M435 VanDerWaalsContact CD-SD 3.56Å; Q293-M435 HydrophobicContact CG-SD 3.85Å; Q293-M435 PolarHBondContact NE2-SD 2.76Å; Q293-M435 VanDerWaalsContact NE2-SD 3.39Å
294	L	93.4	Very high	95.4	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-89.2	-38.3	-170.5	-65.6	-179	0	0	0	113.3	L290 E291 L296 R345 W347 L392 I501 Y503	L290-L294 HydrophobicContact CD1-CD1 3.76Å; L290-L294 HydrophobicContact CD1-CG 3.95Å; L290-L294 HydrophobicContact CD2-CD1 4.25Å; L290-L294 HydrophobicContact CG-CD1 3.74Å; L290-L294 HydrophobicContact CG-CG 4.24Å; L290-L294 WeakPolarHBondContact O-CG 3.44Å; L290-L294 PolarHBondContact O-N 3.37Å; E291-L294 PolarHBondContact O-N 2.97Å; L294-L296 PolarHBondContact O-N 2.83Å; L294-R345 VanDerWaalsContact CA-NH1 3.34Å; L294-R345 PolarHBondContact O-NH1 2.75Å; L294-R345 PolarHBondContact O-NH2 2.86Å; L294-W347 HydrophobicContact CD1-CD2 3.6Å; L294-W347 HydrophobicContact CD1-CE3 4Å; L294-W347 HydrophobicContact CD1-CG 3.9Å; L294-W347 HydrophobicContact CD1-CZ2 4.24Å; L294-W347 HydrophobicContact CD2-CB 4Å; L294-W347 VanDerWaalsContact CD2-CD1 3.43Å; L294-W347 HydrophobicContact CD2-CD2 4.21Å; L294-W347 HydrophobicContact CD2-CG 3.59Å; L294-W347 HydrophobicContact CG-CG 4.41Å; L294-L392 HydrophobicContact CD2-CD1 3.86Å; L294-I501 HydrophobicContact CB-CG1 3.95Å; L294-I501 HydrophobicContact CB-CG2 4.5Å; L294-I501 HydrophobicContact CD1-CG2 4.19Å; L294-Y503 HydrophobicContact CD1-CE1 3.74Å
295	N	94.9	Very high	95.2	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.021	15%	0.146	C	C	.	.			trans	-77.8	95.6	-170.3	-164.6	-38.8	0	0	0	112.3	E291 D297 Y298 R299 R499 I501	E291-N295 WeakPolarHBondContact O-CB 3.41Å; E291-N295 PolarHBondContact O-N 3.39Å; E291-N295 PolarHBondContact OE1-ND2 2.94Å; N295-D297 VanDerWaalsContact C-N 3.26Å; N295-D297 PolarHBondContact O-N 2.62Å; N295-D297 PolarHBondContact OD1-N 3.05Å; N295-Y298 PolarHBondContact O-N 3.45Å; N295-Y298 PolarHBondContact OD1-N 3.23Å; N295-R299 VanDerWaalsContact O-CB 3.31Å; N295-R299 WeakPolarHBondContact O-CB 3.3Å; N295-R299 PolarHBondContact O-N 3.28Å; N295-R499 PolarHBondContact ND2-O 3.46Å; N295-I501 HydrophobicContact CB-CD1 4.36Å; N295-I501 HydrophobicContact CB-CG1 4Å
296	L	95.4	Very high	95.1	Very high	20 Å²	20	32 Å²	32	11%	0.105	15%	0.149	C	C	.	.	H	α-helix	trans	-62	-33.7	-178.7	-56.4	-175.8	0	0	0	112.7	L294 R299 R300 L309 C311 I326	L294-L296 PolarHBondContact O-N 2.83Å; L296-R299 PolarHBondContact O-N 2.73Å; L296-R300 WeakPolarHBondContact O-CG 3.42Å; L296-R300 PolarHBondContact O-N 3.21Å; L296-R300 VanDerWaalsContact O-N 3.09Å; L296-R300 PolarHBondContact O-NH1 3.01Å; L296-L309 HydrophobicContact CB-CD2 4.23Å; L296-L309 HydrophobicContact CB-CG 4.33Å; L296-L309 HydrophobicContact CD2-CD1 4.28Å; L296-L309 HydrophobicContact CD2-CD2 3.98Å; L296-L309 HydrophobicContact CD2-CG 4.15Å; L296-C311 HydrophobicContact CD1-CB 4.01Å; L296-I326 HydrophobicContact CD1-CD1 4.2Å; L296-I326 HydrophobicContact CD1-CG1 4.16Å; L296-I326 HydrophobicContact CD2-CD1 4.04Å
297	D	94.9	Very high	94.9	Very high	74 Å²	74	34.9 Å²	34.9	40%	0.396	17%	0.166	S	C	.	.	H	α-helix	trans	-69.6	-40.3	179.7	-63.7	-12	0	0	0	110.7	N295 R300 I498	N295-D297 VanDerWaalsContact C-N 3.26Å; N295-D297 PolarHBondContact O-N 2.62Å; N295-D297 PolarHBondContact OD1-N 3.05Å; D297-R300 IonicContact OD1-CZ 2.78Å; D297-R300 VanDerWaalsContact OD1-CZ 3.28Å; D297-R300 IonicContact OD1-NH1 3.33Å; D297-R300 PolarHBondContact OD1-NH1 3.42Å; D297-R300 VanDerWaalsContact OD1-NH1 3.15Å; D297-R300 IonicContact OD1-NH2 3.48Å; D297-R300 PolarHBondContact OD1-NH2 2.7Å; D297-I498 HydrophobicContact CB-CG2 4.11Å
298	Y	96.6	Very high	94.8	Very high	12 Å²	12	36 Å²	36	5%	0.047	17%	0.169	C	C	.	.	H	α-helix	trans	-68.1	-43.6	173.2	-170.9	-133	0	0	0	111.9	V292 N295 R300 K301 W302 A485 L489 L494 P495 I498	V292-Y298 HydrophobicContact CG2-CD1 4.16Å; V292-Y298 HydrophobicContact CG2-CE1 3.84Å; N295-Y298 PolarHBondContact O-N 3.45Å; N295-Y298 PolarHBondContact OD1-N 3.23Å; Y298-R300 PolarHBondContact O-N 3.36Å; Y298-K301 WeakPolarHBondContact O-CA 3.44Å; Y298-K301 WeakPolarHBondContact O-CB 3.26Å; Y298-K301 PolarHBondContact O-N 2.85Å; Y298-W302 AromaticContact CD1-CD1 3.65Å; Y298-W302 AromaticContact CD1-NE1 3.63Å; Y298-W302 AromaticContact CE1-CD1 3.61Å; Y298-W302 AromaticContact CE1-NE1 3.83Å; Y298-W302 AromaticContact CG-CD1 3.87Å; Y298-W302 AromaticContact CZ-CD1 3.83Å; Y298-W302 PolarHBondContact O-N 3.46Å; Y298-A485 HydrophobicContact CE1-CB 4.01Å; Y298-A485 PolarHBondContact OH-O 3.35Å; Y298-A485 VanDerWaalsContact OH-O 3.08Å; Y298-L489 HydrophobicContact CD1-CD1 4.03Å; Y298-L489 HydrophobicContact CD1-CD2 4.11Å; Y298-L489 HydrophobicContact CD1-CG 4.25Å; Y298-L489 HydrophobicContact CE1-CD1 3.67Å; Y298-L489 HydrophobicContact CE1-CD2 3.53Å; Y298-L489 HydrophobicContact CE1-CG 3.48Å; Y298-L489 VanDerWaalsContact CE1-CG 3.48Å; Y298-L489 HydrophobicContact CE2-CD2 4.12Å; Y298-L494 HydrophobicContact CD1-CD2 4.23Å; Y298-L494 HydrophobicContact CD2-CD2 4.17Å; Y298-L494 HydrophobicContact CG-CD2 3.91Å; Y298-P495 HydrophobicContact CD2-CG 3.83Å; Y298-P495 VanDerWaalsContact CE2-CD 3.41Å; Y298-P495 HydrophobicContact CE2-CG 3.59Å; Y298-I498 HydrophobicContact CD2-CD1 4.16Å
299	R	96.8	Very high	94.7	Very high	25 Å²	25	35.7 Å²	35.7	9%	0.094	17%	0.167	C	C	.	.	H	α-helix	trans	-52.1	-41.6	175.7	-173.9	52.2	174.5	138.9	17.6	111.9	N295 L296 K301 W302 D303 I306 L309	N295-R299 VanDerWaalsContact O-CB 3.31Å; N295-R299 WeakPolarHBondContact O-CB 3.3Å; N295-R299 PolarHBondContact O-N 3.28Å; L296-R299 PolarHBondContact O-N 2.73Å; R299-K301 PolarHBondContact O-N 3.39Å; R299-W302 HydrophobicContact CG-CZ2 4.45Å; R299-W302 PolarHBondContact O-N 3.24Å; R299-D303 IonicContact CZ-OD2 3.29Å; R299-D303 IonicContact NE-OD2 3.86Å; R299-D303 IonicContact NH1-OD1 2.92Å; R299-D303 IonicContact NH1-OD2 3.77Å; R299-D303 PolarHBondContact NH1-OD2 3.49Å; R299-D303 IonicContact NH2-OD2 3.53Å; R299-D303 PolarHBondContact NH2-OD2 3.12Å; R299-D303 PolarHBondContact O-N 2.77Å; R299-D303 VanDerWaalsContact O-N 3.13Å; R299-I306 HydrophobicContact CB-CD1 4.36Å; R299-I306 HydrophobicContact CG-CD1 3.64Å; R299-I306 WeakPolarHBondContact O-CD1 3.02Å; R299-L309 HydrophobicContact CB-CD2 3.97Å; R299-L309 HydrophobicContact CG-CD2 3.6Å
300	R	96	Very high	94.3	Very high	95 Å²	95	39.7 Å²	39.7	36%	0.358	19%	0.186	S	C	.	.	H	α-helix	trans	-64.6	-18.7	174	-72	-165	-55.8	-82	-3.2	115.2	L296 D297 Y298 I306 L309	L296-R300 WeakPolarHBondContact O-CG 3.42Å; L296-R300 PolarHBondContact O-N 3.21Å; L296-R300 VanDerWaalsContact O-N 3.09Å; L296-R300 PolarHBondContact O-NH1 3.01Å; D297-R300 IonicContact OD1-CZ 2.78Å; D297-R300 VanDerWaalsContact OD1-CZ 3.28Å; D297-R300 IonicContact OD1-NH1 3.33Å; D297-R300 PolarHBondContact OD1-NH1 3.42Å; D297-R300 VanDerWaalsContact OD1-NH1 3.15Å; D297-R300 IonicContact OD1-NH2 3.48Å; D297-R300 PolarHBondContact OD1-NH2 2.7Å; Y298-R300 PolarHBondContact O-N 3.36Å; R300-I306 HydrophobicContact CG-CD1 4.49Å; R300-I306 HydrophobicContact CG-CG2 4.13Å; R300-L309 HydrophobicContact CG-CB 3.95Å; R300-L309 HydrophobicContact CG-CD2 4.34Å; R300-L309 PolarHBondContact NH1-O 2.91Å
301	K	95.1	Very high	93.9	Very high	150 Å²	150	42.6 Å²	42.6	65%	0.652	21%	0.205	S	C	*	.	H	α-helix	trans	-84.1	-43.3	177.7	-65.1	-59.3	-173.4	176.4	0	112.7	Y298 R299 I498	Y298-K301 WeakPolarHBondContact O-CA 3.44Å; Y298-K301 WeakPolarHBondContact O-CB 3.26Å; Y298-K301 PolarHBondContact O-N 2.85Å; R299-K301 PolarHBondContact O-N 3.39Å; K301-I498 HydrophobicContact CD-CD1 4.48Å; K301-I498 HydrophobicContact CG-CD1 3.57Å
302	W	95.4	Very high	93.2	Very high	44 Å²	44	43.3 Å²	43.3	17%	0.167	21%	0.209	C	C	.	.	H	α-helix	trans	-98.7	-17.8	-169.7	63.3	-104.3	0	0	0	113.9	V292 Y298 R299 K481 L482 A485	V292-W302 HydrophobicContact CG1-CH2 4.13Å; V292-W302 HydrophobicContact CG1-CZ2 3.28Å; Y298-W302 AromaticContact CD1-CD1 3.65Å; Y298-W302 AromaticContact CD1-NE1 3.63Å; Y298-W302 AromaticContact CE1-CD1 3.61Å; Y298-W302 AromaticContact CE1-NE1 3.83Å; Y298-W302 AromaticContact CG-CD1 3.87Å; Y298-W302 AromaticContact CZ-CD1 3.83Å; Y298-W302 PolarHBondContact O-N 3.46Å; R299-W302 HydrophobicContact CG-CZ2 4.45Å; R299-W302 PolarHBondContact O-N 3.24Å; W302-K481 HydrophobicContact CE3-CB 3.9Å; W302-K481 HydrophobicContact CH2-CB 4.49Å; W302-K481 HydrophobicContact CZ3-CB 3.43Å; W302-K481 VanDerWaalsContact CZ3-CB 3.43Å; W302-L482 HydrophobicContact CH2-CB 4.48Å; W302-L482 HydrophobicContact CH2-CD2 3.48Å; W302-L482 VanDerWaalsContact CH2-CD2 3.48Å; W302-L482 HydrophobicContact CH2-CG 3.89Å; W302-L482 HydrophobicContact CZ2-CD2 3.75Å; W302-A485 HydrophobicContact CB-CB 4.29Å; W302-A485 HydrophobicContact CD2-CB 3.57Å; W302-A485 HydrophobicContact CE3-CB 4.14Å; W302-A485 HydrophobicContact CG-CB 3.64Å; W302-A485 HydrophobicContact CZ2-CB 4.21Å
303	D	95.8	Very high	92.1	Very high	9 Å²	9	44.8 Å²	44.8	5%	0.048	22%	0.218	C	C	.	.			trans	-102	104.5	176.2	-169.8	18.1	0	0	0	113.4	R299 K305 I306 K481	R299-D303 IonicContact CZ-OD2 3.29Å; R299-D303 IonicContact NE-OD2 3.86Å; R299-D303 IonicContact NH1-OD1 2.92Å; R299-D303 IonicContact NH1-OD2 3.77Å; R299-D303 PolarHBondContact NH1-OD2 3.49Å; R299-D303 IonicContact NH2-OD2 3.53Å; R299-D303 PolarHBondContact NH2-OD2 3.12Å; R299-D303 PolarHBondContact O-N 2.77Å; R299-D303 VanDerWaalsContact O-N 3.13Å; D303-K305 PolarHBondContact O-N 2.82Å; D303-K305 VanDerWaalsContact O-N 3.16Å; D303-K305 WeakPolarHBondContact OD1-CB 3.3Å; D303-K305 WeakPolarHBondContact OD1-CG 3.38Å; D303-K305 PolarHBondContact OD1-N 3.45Å; D303-K305 VanDerWaalsContact OD1-N 3.09Å; D303-I306 HydrophobicContact CB-CD1 3.66Å; D303-I306 HydrophobicContact CB-CG1 4.02Å; D303-I306 PolarHBondContact O-N 3.37Å; D303-I306 VanDerWaalsContact O-N 3.16Å; D303-K481 IonicContact OD1-NZ 3.54Å; D303-K481 PolarHBondContact OD1-NZ 2.98Å
304	D	93.2	Very high	90.6	Very high	87 Å²	87	44.2 Å²	44.2	47%	0.465	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-12.4	174.9	66.4	-54.5	0	0	0	113.8	I306 R331 K481	D304-I306 VanDerWaalsContact C-N 3.33Å; D304-R331 PolarHBondContact O-NH1 2.67Å; D304-R331 VanDerWaalsContact O-NH1 3.11Å; D304-K481 VanDerWaalsContact OD1-CE 3.29Å; D304-K481 WeakPolarHBondContact OD1-CE 3.47Å; D304-K481 IonicContact OD1-NZ 2.93Å; D304-K481 PolarHBondContact OD1-NZ 2.88Å
305	K	91.7	Very high	88.9	Confident	54 Å²	54	51.6 Å²	51.6	24%	0.235	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-11.8	175.7	-57.2	-66.2	-177.4	-96.5	0	112.7	D303 V307 V330 R331 E477	D303-K305 PolarHBondContact O-N 2.82Å; D303-K305 VanDerWaalsContact O-N 3.16Å; D303-K305 WeakPolarHBondContact OD1-CB 3.3Å; D303-K305 WeakPolarHBondContact OD1-CG 3.38Å; D303-K305 PolarHBondContact OD1-N 3.45Å; D303-K305 VanDerWaalsContact OD1-N 3.09Å; K305-V307 PolarHBondContact O-N 3.35Å; K305-V330 HydrophobicContact CB-CG2 4.01Å; K305-V330 CarbonylContact O-C 3.58Å; K305-V330 WeakPolarHBondContact O-CA 3.4Å; K305-R331 WeakPolarHBondContact O-CB 3.35Å; K305-R331 PolarHBondContact O-N 3.29Å; K305-E477 VanDerWaalsContact CE-OE1 3.32Å; K305-E477 WeakPolarHBondContact CE-OE1 3.32Å; K305-E477 IonicContact NZ-OE1 3.2Å; K305-E477 PolarHBondContact NZ-OE1 2.74Å
306	I	93.8	Very high	86.9	Confident	22 Å²	22	57.1 Å²	57.1	11%	0.113	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	125.8	179.4	-64.4	162.7	0	0	0	109.9	R299 R300 D303 D304 L309	R299-I306 HydrophobicContact CB-CD1 4.36Å; R299-I306 HydrophobicContact CG-CD1 3.64Å; R299-I306 WeakPolarHBondContact O-CD1 3.02Å; R300-I306 HydrophobicContact CG-CD1 4.49Å; R300-I306 HydrophobicContact CG-CG2 4.13Å; D303-I306 HydrophobicContact CB-CD1 3.66Å; D303-I306 HydrophobicContact CB-CG1 4.02Å; D303-I306 PolarHBondContact O-N 3.37Å; D303-I306 VanDerWaalsContact O-N 3.16Å; D304-I306 VanDerWaalsContact C-N 3.33Å; I306-L309 HydrophobicContact CD1-CD2 3.85Å; I306-L309 HydrophobicContact CG2-CB 3.62Å
307	V	90.1	Very high	84.8	Confident	60 Å²	60	58.3 Å²	58.3	36%	0.364	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-51.1	169	-178.9	0	0	0	0	109	K305 V329 R331 D338	K305-V307 PolarHBondContact O-N 3.35Å; V307-V329 HydrophobicContact CB-CB 4.18Å; V307-V329 HydrophobicContact CB-CG1 3.91Å; V307-V329 HydrophobicContact CG1-CG1 4.22Å; V307-V329 HydrophobicContact CG2-CG1 4.48Å; V307-V329 PolarHBondContact N-O 3.17Å; V307-R331 HydrophobicContact CG2-CB 3.92Å; V307-D338 WeakPolarHBondContact CG2-OD2 3.44Å
308	E	92.8	Very high	82.6	Confident	45 Å²	45	59.3 Å²	59.3	21%	0.21	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	141.6	174.7	-66.7	178	159.7	0	0	109.4	R327 V329 R423	E308-R327 IonicContact OE2-CZ 2.72Å; E308-R327 VanDerWaalsContact OE2-CZ 3.29Å; E308-R327 IonicContact OE2-NH1 3.53Å; E308-R327 PolarHBondContact OE2-NH1 3.25Å; E308-R327 IonicContact OE2-NH2 3.12Å; E308-R327 PolarHBondContact OE2-NH2 2.7Å; E308-V329 HydrophobicContact CB-CB 4.04Å; E308-V329 HydrophobicContact CB-CG2 3.99Å; E308-V329 PolarHBondContact N-O 3.44Å; E308-V329 PolarHBondContact O-N 3.5Å; E308-R423 IonicContact OE1-CZ 3.22Å; E308-R423 IonicContact OE1-NH1 2.72Å; E308-R423 PolarHBondContact OE1-NH1 3.21Å; E308-R423 IonicContact OE1-NH2 3.29Å; E308-R423 IonicContact OE2-NH1 3.38Å; E308-R423 PolarHBondContact OE2-NH1 2.5Å
309	L	94.3	Very high	80.3	Confident	4 Å²	4	64.3 Å²	64.3	2%	0.021	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	109.4	177.5	-178.7	65.2	0	0	0	110.1	L296 R299 R300 I306 I326 R327 W328	L296-L309 HydrophobicContact CB-CD2 4.23Å; L296-L309 HydrophobicContact CB-CG 4.33Å; L296-L309 HydrophobicContact CD2-CD1 4.28Å; L296-L309 HydrophobicContact CD2-CD2 3.98Å; L296-L309 HydrophobicContact CD2-CG 4.15Å; R299-L309 HydrophobicContact CB-CD2 3.97Å; R299-L309 HydrophobicContact CG-CD2 3.6Å; R300-L309 HydrophobicContact CG-CB 3.95Å; R300-L309 HydrophobicContact CG-CD2 4.34Å; R300-L309 PolarHBondContact NH1-O 2.91Å; I306-L309 HydrophobicContact CD1-CD2 3.85Å; I306-L309 HydrophobicContact CG2-CB 3.62Å; L309-I326 HydrophobicContact CD1-CG2 3.63Å; L309-R327 WeakPolarHBondContact CA-O 3.42Å; L309-W328 HydrophobicContact CD1-CB 3.73Å; L309-W328 HydrophobicContact CD1-CG 4Å
310	H	88.6	Confident	78.1	Confident	85 Å²	85	65.1 Å²	65.1	39%	0.394	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	141.2	-174.3	-57.4	-72.9	0	0	0	111.5	I312 R327	H310-I312 HydrophobicContact CB-CG2 4.43Å; H310-R327 PolarHBondContact N-O 3.35Å; H310-R327 PolarHBondContact O-N 3.39Å
311	C	86.8	Confident	76	Confident	61 Å²	61	67 Å²	67	41%	0.412	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	125.1	160.8	-174.8	0	0	0	0	108.1	L296 T313 I325	L296-C311 HydrophobicContact CD1-CB 4.01Å; C311-T313 PolarHBondContact SG-OG1 3.07Å; C311-I325 CarbonylContact C-O 3.45Å; C311-I325 WeakPolarHBondContact CA-O 3.45Å
312	I	81	Confident	74.4	Confident	29 Å²	29	63 Å²	63	15%	0.149	33%	0.327	C	S	.	.			trans	-114.5	17.6	-178.8	57.9	166.3	0	0	0	111.6	H310 I325 R327 V342 V413 W417	H310-I312 HydrophobicContact CB-CG2 4.43Å; I312-I325 HydrophobicContact CD1-CG2 3.84Å; I312-I325 HydrophobicContact CG1-CB 4.01Å; I312-I325 HydrophobicContact CG1-CG2 3.62Å; I312-I325 VanDerWaalsContact CG1-O 3.27Å; I312-I325 WeakPolarHBondContact CG1-O 2.95Å; I312-I325 PolarHBondContact N-O 3.16Å; I312-R327 HydrophobicContact CD1-CB 4.13Å; I312-R327 HydrophobicContact CG1-CB 4.46Å; I312-R327 HydrophobicContact CG2-CB 4.27Å; I312-V342 HydrophobicContact CD1-CG1 4.21Å; I312-V413 HydrophobicContact CB-CG1 4.31Å; I312-V413 HydrophobicContact CB-CG2 4.44Å; I312-V413 HydrophobicContact CD1-CG1 3.79Å; I312-W417 HydrophobicContact CD1-CZ2 4.13Å
313	T	73.3	Confident	73.2	Confident	31 Å²	31	62.1 Å²	62.1	19%	0.19	33%	0.326	C	S	.	.			trans	-54.2	126	174.3	-59.1	0	0	0	0	109.8	C311 N315 I320 L323 I325	C311-T313 PolarHBondContact SG-OG1 3.07Å; T313-N315 PolarHBondContact O-N 3.02Å; T313-I320 HydrophobicContact CG2-CG2 3.8Å; T313-L323 VanDerWaalsContact CG2-O 3.26Å; T313-L323 WeakPolarHBondContact CG2-O 3.32Å; T313-L323 PolarHBondContact OG1-O 2.79Å; T313-I325 PolarHBondContact OG1-N 3.12Å
314	P	62.1	Low	72.4	Confident	16 Å²	16	63.2 Å²	63.2	10%	0.104	33%	0.331	C	S	.	.			trans	-64.4	124.9	-179.5	24	-31.7	0	0	0	110.5	N316 I320 I410	P314-N316 PolarHBondContact O-N 3.3Å; P314-N316 VanDerWaalsContact O-N 3.16Å; P314-I320 HydrophobicContact CG-CD1 4.5Å; P314-I410 HydrophobicContact CB-CD1 4.33Å; P314-I410 HydrophobicContact CB-CG1 4.26Å; P314-I410 HydrophobicContact CG-CD1 4Å; P314-I410 HydrophobicContact CG-CG1 4.45Å
315	N	58.6	Low	72.1	Confident	157 Å²	157	59.7 Å²	59.7	84%	0.84	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-23.8	-177.5	-87.7	-8.2	0	0	0	114.1	T313	T313-N315 PolarHBondContact O-N 3.02Å
316	N	53.2	Low	72	Confident	119 Å²	119	57.1 Å²	57.1	64%	0.636	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-18.1	-169.3	-77.4	-1.1	0	0	0	113.8	P314 T318	P314-N316 PolarHBondContact O-N 3.3Å; P314-N316 VanDerWaalsContact O-N 3.16Å; N316-T318 PolarHBondContact O-N 3.32Å; N316-T318 VanDerWaalsContact O-N 3.09Å
317	D	50.4	Low	71.9	Confident	46 Å²	46	56.4 Å²	56.4	25%	0.246	30%	0.297	C	S	.	.			trans	-84.9	95.1	-179.1	-81.5	-40.5	0	0	0	110.5	H319 I320	D317-H319 PolarHBondContact O-N 2.89Å; D317-H319 VanDerWaalsContact O-N 3.08Å; D317-I320 HydrophobicContact CB-CB 3.83Å; D317-I320 HydrophobicContact CB-CD1 3.52Å; D317-I320 HydrophobicContact CB-CG1 3.6Å; D317-I320 PolarHBondContact O-N 2.78Å; D317-I320 VanDerWaalsContact OD2-CD1 3.26Å; D317-I320 WeakPolarHBondContact OD2-CD1 3.3Å
318	T	49.5	Very low	72	Confident	95 Å²	95	55.1 Å²	55.1	58%	0.583	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-54.3	-25.3	172.4	53.7	0	0	0	0	112.9	N316 K321	N316-T318 PolarHBondContact O-N 3.32Å; N316-T318 VanDerWaalsContact O-N 3.09Å; T318-K321 WeakPolarHBondContact O-CG 3.24Å
319	H	47.1	Very low	72	Confident	116 Å²	116	53.1 Å²	53.1	54%	0.537	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-82.1	-15	177.6	-72.3	-87.9	0	0	0	114.6	D317 N563	D317-H319 PolarHBondContact O-N 2.89Å; D317-H319 VanDerWaalsContact O-N 3.08Å; H319-N563 PolarHBondContact ND1-ND2 3.02Å
320	I	51.4	Low	71.8	Confident	43 Å²	43	53.5 Å²	53.5	22%	0.221	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-104.1	23.9	-176.2	-56.1	177	0	0	0	110.6	T313 P314 D317 D322 L323	T313-I320 HydrophobicContact CG2-CG2 3.8Å; P314-I320 HydrophobicContact CG-CD1 4.5Å; D317-I320 HydrophobicContact CB-CB 3.83Å; D317-I320 HydrophobicContact CB-CD1 3.52Å; D317-I320 HydrophobicContact CB-CG1 3.6Å; D317-I320 PolarHBondContact O-N 2.78Å; D317-I320 VanDerWaalsContact OD2-CD1 3.26Å; D317-I320 WeakPolarHBondContact OD2-CD1 3.3Å; I320-D322 PolarHBondContact O-N 2.75Å; I320-L323 HydrophobicContact CG2-CB 3.64Å; I320-L323 HydrophobicContact CG2-CD1 4.05Å; I320-L323 HydrophobicContact CG2-CG 4.41Å; I320-L323 PolarHBondContact O-N 3.06Å
321	K	52	Low	71.8	Confident	135 Å²	135	55.4 Å²	55.4	59%	0.587	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-24	-176.8	-76.1	-179	179.1	179.2	0	114.1	T318	T318-K321 WeakPolarHBondContact O-CG 3.24Å
322	D	60.8	Low	71.4	Confident	65 Å²	65	53.7 Å²	53.7	35%	0.348	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	16.3	-175.5	-52.9	-46.3	0	0	0	113.2	I320	I320-D322 PolarHBondContact O-N 2.75Å
323	L	70	Confident	70.9	Confident	26 Å²	26	55.5 Å²	55.5	14%	0.136	28%	0.282	C	S	.	.			trans	-125.1	116.4	-175.2	-77.3	176.3	0	0	0	111.3	T313 I320 V344 R346	T313-L323 VanDerWaalsContact CG2-O 3.26Å; T313-L323 WeakPolarHBondContact CG2-O 3.32Å; T313-L323 PolarHBondContact OG1-O 2.79Å; I320-L323 HydrophobicContact CG2-CB 3.64Å; I320-L323 HydrophobicContact CG2-CD1 4.05Å; I320-L323 HydrophobicContact CG2-CG 4.41Å; I320-L323 PolarHBondContact O-N 3.06Å; L323-V344 HydrophobicContact CD2-CG1 3.49Å; L323-V344 VanDerWaalsContact CD2-CG1 3.49Å; L323-R346 HydrophobicContact CD2-CG 3.66Å
324	D	80.5	Confident	70.2	Confident	32 Å²	32	56.3 Å²	56.3	17%	0.171	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	107.7	170.4	-80.4	-19.6	0	0	0	109.2	I326 V344 R345	D324-I326 HydrophobicContact CB-CD1 4.16Å; D324-I326 HydrophobicContact CB-CG1 4.07Å; D324-I326 PolarHBondContact O-N 3.06Å; D324-V344 CarbonylContact O-C 3.53Å; D324-V344 WeakPolarHBondContact O-CA 3.42Å; D324-R345 HydrophobicContact CB-CB 4.03Å; D324-R345 PolarHBondContact N-O 3.37Å; D324-R345 PolarHBondContact O-N 3.12Å; D324-R345 IonicContact OD2-CZ 2.61Å; D324-R345 IonicContact OD2-NE 3.56Å; D324-R345 PolarHBondContact OD2-NE 3.08Å; D324-R345 IonicContact OD2-NH2 3.37Å; D324-R345 PolarHBondContact OD2-NH2 2.65Å
325	I	86.8	Confident	70.1	Confident	13 Å²	13	56.2 Å²	56.2	7%	0.067	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	110.7	165.8	-52.1	176.9	0	0	0	106.9	C311 I312 T313 V342 F400	C311-I325 CarbonylContact C-O 3.45Å; C311-I325 WeakPolarHBondContact CA-O 3.45Å; I312-I325 HydrophobicContact CD1-CG2 3.84Å; I312-I325 HydrophobicContact CG1-CB 4.01Å; I312-I325 HydrophobicContact CG1-CG2 3.62Å; I312-I325 VanDerWaalsContact CG1-O 3.27Å; I312-I325 WeakPolarHBondContact CG1-O 2.95Å; I312-I325 PolarHBondContact N-O 3.16Å; T313-I325 PolarHBondContact OG1-N 3.12Å; I325-V342 HydrophobicContact CG2-CG1 4.23Å; I325-F400 HydrophobicContact CB-CZ 4.36Å; I325-F400 HydrophobicContact CD1-CZ 3.76Å; I325-F400 HydrophobicContact CG1-CZ 3.83Å; I325-F400 HydrophobicContact CG2-CE1 3.58Å; I325-F400 HydrophobicContact CG2-CZ 3.66Å
326	I	89.6	Confident	70.8	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	127.8	-174.9	-62.6	173.1	0	0	0	109.6	L296 L309 D324 W328 V342 Y343 R345	L296-I326 HydrophobicContact CD1-CD1 4.2Å; L296-I326 HydrophobicContact CD1-CG1 4.16Å; L296-I326 HydrophobicContact CD2-CD1 4.04Å; L309-I326 HydrophobicContact CD1-CG2 3.63Å; D324-I326 HydrophobicContact CB-CD1 4.16Å; D324-I326 HydrophobicContact CB-CG1 4.07Å; D324-I326 PolarHBondContact O-N 3.06Å; I326-W328 HydrophobicContact CG2-CB 4.37Å; I326-V342 WeakPolarHBondContact O-CA 3.48Å; I326-Y343 HydrophobicContact CB-CD1 4.48Å; I326-Y343 HydrophobicContact CB-CD2 4.3Å; I326-Y343 HydrophobicContact CB-CE1 4.06Å; I326-Y343 HydrophobicContact CB-CE2 3.88Å; I326-Y343 HydrophobicContact CD1-CE2 3.8Å; I326-Y343 HydrophobicContact CG1-CE2 4.34Å; I326-Y343 HydrophobicContact CG2-CE1 3.84Å; I326-Y343 HydrophobicContact CG2-CE2 4.29Å; I326-Y343 PolarHBondContact N-O 2.95Å; I326-Y343 PolarHBondContact O-N 3.21Å; I326-R345 HydrophobicContact CD1-CB 3.7Å; I326-R345 HydrophobicContact CD1-CG 4.26Å; I326-R345 VanDerWaalsContact CD1-NE 3.32Å
327	R	91.2	Very high	71.7	Confident	7 Å²	7	44 Å²	44	3%	0.026	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	118	163.7	179.7	172.1	173.5	-89.3	-1.9	109.2	E308 L309 H310 I312 V329 E340 Y341 V342 I420	E308-R327 IonicContact OE2-CZ 2.72Å; E308-R327 VanDerWaalsContact OE2-CZ 3.29Å; E308-R327 IonicContact OE2-NH1 3.53Å; E308-R327 PolarHBondContact OE2-NH1 3.25Å; E308-R327 IonicContact OE2-NH2 3.12Å; E308-R327 PolarHBondContact OE2-NH2 2.7Å; L309-R327 WeakPolarHBondContact CA-O 3.42Å; H310-R327 PolarHBondContact N-O 3.35Å; H310-R327 PolarHBondContact O-N 3.39Å; I312-R327 HydrophobicContact CD1-CB 4.13Å; I312-R327 HydrophobicContact CG1-CB 4.46Å; I312-R327 HydrophobicContact CG2-CB 4.27Å; R327-V329 VanDerWaalsContact CZ-CG2 3.46Å; R327-E340 IonicContact CZ-OE1 3.58Å; R327-E340 VanDerWaalsContact CZ-OE1 3.22Å; R327-E340 IonicContact NE-OE1 3.6Å; R327-E340 PolarHBondContact NE-OE1 3.21Å; R327-E340 IonicContact NH2-OE1 2.89Å; R327-E340 PolarHBondContact NH2-OE1 3.07Å; R327-Y341 WeakPolarHBondContact CA-O 3.23Å; R327-V342 HydrophobicContact CB-CG2 4.43Å; R327-V342 HydrophobicContact CG-CG2 4.22Å; R327-I420 VanDerWaalsContact CZ-CD1 3.41Å
328	W	92.6	Very high	73.4	Confident	33 Å²	33	42.7 Å²	42.7	13%	0.125	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	113.3	-178.9	174.2	31.1	0	0	0	109.8	L309 I326 V330 E340 Y341 Y343 Y431	L309-W328 HydrophobicContact CD1-CB 3.73Å; L309-W328 HydrophobicContact CD1-CG 4Å; I326-W328 HydrophobicContact CG2-CB 4.37Å; W328-V330 HydrophobicContact CZ2-CB 3.86Å; W328-V330 HydrophobicContact CZ2-CG1 4.18Å; W328-V330 HydrophobicContact CZ2-CG2 3.85Å; W328-E340 WeakPolarHBondContact O-CA 3.18Å; W328-Y341 HydrophobicContact CD2-CD2 4.18Å; W328-Y341 AromaticContact CE3-CD2 3.74Å; W328-Y341 HydrophobicContact CE3-CD2 3.74Å; W328-Y341 HydrophobicContact CE3-CE2 4.39Å; W328-Y341 AromaticContact CE3-CG 3.86Å; W328-Y341 HydrophobicContact CE3-CG 3.86Å; W328-Y341 HydrophobicContact CZ3-CD2 4.1Å; W328-Y341 HydrophobicContact CZ3-CE2 4.32Å; W328-Y341 HydrophobicContact CZ3-CG 4.27Å; W328-Y341 PolarHBondContact N-O 3.11Å; W328-Y341 PolarHBondContact O-N 2.75Å; W328-Y343 HydrophobicContact CB-CE1 3.84Å; W328-Y343 HydrophobicContact CD2-CE1 4.49Å; W328-Y343 AromaticContact CE3-CE1 3.9Å; W328-Y343 HydrophobicContact CE3-CE1 3.9Å; W328-Y431 HydrophobicContact CZ3-CE2 4.4Å
329	V	91.9	Very high	75.2	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.012	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	118.3	170.1	-171.7	0	0	0	0	108.1	V307 E308 R327 D338 R339 E340 L425	V307-V329 HydrophobicContact CB-CB 4.18Å; V307-V329 HydrophobicContact CB-CG1 3.91Å; V307-V329 HydrophobicContact CG1-CG1 4.22Å; V307-V329 HydrophobicContact CG2-CG1 4.48Å; V307-V329 PolarHBondContact N-O 3.17Å; E308-V329 HydrophobicContact CB-CB 4.04Å; E308-V329 HydrophobicContact CB-CG2 3.99Å; E308-V329 PolarHBondContact N-O 3.44Å; E308-V329 PolarHBondContact O-N 3.5Å; R327-V329 VanDerWaalsContact CZ-CG2 3.46Å; V329-D338 HydrophobicContact CG1-CB 4.43Å; V329-R339 WeakPolarHBondContact CA-O 3.46Å; V329-E340 HydrophobicContact CG2-CB 4.46Å; V329-E340 HydrophobicContact CG2-CG 4.36Å; V329-L425 HydrophobicContact CG1-CD1 3.92Å; V329-L425 HydrophobicContact CG1-CD2 4.05Å; V329-L425 HydrophobicContact CG2-CD1 4.23Å
330	V	90.8	Very high	77.3	Confident	12 Å²	12	32.7 Å²	32.7	7%	0.073	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	135.9	-175.2	61.9	0	0	0	0	111	K305 W328 F332 D338 R339 Y341	K305-V330 HydrophobicContact CB-CG2 4.01Å; K305-V330 CarbonylContact O-C 3.58Å; K305-V330 WeakPolarHBondContact O-CA 3.4Å; W328-V330 HydrophobicContact CZ2-CB 3.86Å; W328-V330 HydrophobicContact CZ2-CG1 4.18Å; W328-V330 HydrophobicContact CZ2-CG2 3.85Å; V330-F332 HydrophobicContact CG1-CD2 3.93Å; V330-F332 HydrophobicContact CG1-CE2 3.69Å; V330-F332 PolarHBondContact O-N 2.74Å; V330-D338 WeakPolarHBondContact O-CA 3.41Å; V330-D338 WeakPolarHBondContact O-CB 3.14Å; V330-R339 HydrophobicContact CG1-CB 3.94Å; V330-R339 PolarHBondContact N-O 3.32Å; V330-R339 PolarHBondContact O-N 3.42Å; V330-Y341 HydrophobicContact CG1-CD2 4.06Å; V330-Y341 HydrophobicContact CG1-CE2 3.57Å
331	R	87.2	Confident	79.2	Confident	126 Å²	126	30.8 Å²	30.8	48%	0.475	15%	0.147	S	C	.	.	P	Polyproline II helix	trans	-70	120.7	174.6	-172.6	174.3	-66.5	133.3	1.4	109.8	D304 K305 V307 D338	D304-R331 PolarHBondContact O-NH1 2.67Å; D304-R331 VanDerWaalsContact O-NH1 3.11Å; K305-R331 WeakPolarHBondContact O-CB 3.35Å; K305-R331 PolarHBondContact O-N 3.29Å; V307-R331 HydrophobicContact CG2-CB 3.92Å; R331-D338 WeakPolarHBondContact CA-OD1 3.25Å
332	F	80.1	Confident	80.9	Confident	25 Å²	25	24.6 Å²	24.6	11%	0.11	12%	0.12	C	C	.	.	P	Polyproline II helix	trans	-95	149.7	171.6	-97.6	-121.9	0	0	0	110.1	V330 F334 M336 V337 D338 R339 P458 F470	V330-F332 HydrophobicContact CG1-CD2 3.93Å; V330-F332 HydrophobicContact CG1-CE2 3.69Å; V330-F332 PolarHBondContact O-N 2.74Å; F332-F334 PolarHBondContact O-N 3.09Å; F332-M336 HydrophobicContact CB-CB 3.8Å; F332-M336 HydrophobicContact CD1-CB 4.07Å; F332-M336 HydrophobicContact CD1-SD 3.91Å; F332-M336 HydrophobicContact CG-CB 4.42Å; F332-V337 WeakPolarHBondContact CB-O 3.36Å; F332-D338 PolarHBondContact N-OD1 3.04Å; F332-D338 VanDerWaalsContact N-OD1 3.16Å; F332-R339 HydrophobicContact CD2-CB 3.91Å; F332-R339 HydrophobicContact CD2-CG 4.03Å; F332-R339 HydrophobicContact CE1-CG 4.43Å; F332-R339 HydrophobicContact CE2-CB 3.67Å; F332-R339 HydrophobicContact CE2-CG 3.74Å; F332-R339 HydrophobicContact CZ-CB 4.36Å; F332-R339 HydrophobicContact CZ-CG 3.96Å; F332-P458 HydrophobicContact CE1-CB 4.1Å; F332-P458 HydrophobicContact CZ-CB 4.05Å; F332-F470 HydrophobicContact CD1-CZ 4.16Å; F332-F470 HydrophobicContact CE1-CE1 4.08Å; F332-F470 HydrophobicContact CE1-CZ 4.19Å
333	P	69.4	Low	82.2	Confident	67 Å²	67	22.3 Å²	22.3	44%	0.435	11%	0.107	S	C	.	.	P	Polyproline II helix	trans	-62.1	134.5	177.3	-25	36.9	0	0	0	110.8	M336 F470	P333-M336 VanDerWaalsContact O-CB 3.26Å; P333-M336 WeakPolarHBondContact O-CB 2.87Å; P333-M336 PolarHBondContact O-N 3.29Å; P333-F470 HydrophobicContact CB-CE2 4.49Å; P333-F470 HydrophobicContact CG-CE2 3.83Å; P333-F470 HydrophobicContact CG-CZ 4.13Å
334	F	58.9	Low	83	Confident	47 Å²	47	22.4 Å²	22.4	21%	0.206	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.7	135.6	169.3	-179.5	-83.9	0	0	0	110	I104 V109 T112 F332	I104-F334 HydrophobicContact CD1-CD2 3.37Å; I104-F334 HydrophobicContact CD1-CE2 3.24Å; I104-F334 HydrophobicContact CD1-CG 4.43Å; I104-F334 HydrophobicContact CD1-CZ 4.26Å; I104-F334 HydrophobicContact CG1-CD2 4.5Å; I104-F334 HydrophobicContact CG1-CE2 4.25Å; V109-F334 HydrophobicContact CB-CE2 4.01Å; V109-F334 HydrophobicContact CB-CZ 4.39Å; V109-F334 HydrophobicContact CG1-CZ 4.49Å; V109-F334 HydrophobicContact CG2-CE2 3.47Å; V109-F334 VanDerWaalsContact CG2-CE2 3.47Å; V109-F334 HydrophobicContact CG2-CZ 3.9Å; T112-F334 HydrophobicContact CG2-CB 4.02Å; T112-F334 HydrophobicContact CG2-CD1 3.34Å; T112-F334 HydrophobicContact CG2-CD2 4.33Å; T112-F334 HydrophobicContact CG2-CE1 3.85Å; T112-F334 HydrophobicContact CG2-CG 3.62Å; T112-F334 WeakPolarHBondContact OG1-CB 3.47Å; T112-F334 WeakPolarHBondContact OG1-CD2 3.17Å; T112-F334 WeakPolarHBondContact OG1-CG 3.36Å; F332-F334 PolarHBondContact O-N 3.09Å
335	P	60.6	Low	83.5	Confident	15 Å²	15	21.4 Å²	21.4	10%	0.097	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	cis	-90.9	13.7	10.2	40.3	-45.6	0	0	0	115.7	G94 I97 S98 I104	G94-P335 VanDerWaalsContact C-CB 3.43Å; G94-P335 VanDerWaalsContact CA-CB 3.5Å; G94-P335 WeakPolarHBondContact O-CB 3Å; G94-P335 WeakPolarHBondContact O-CG 3.36Å; I97-P335 HydrophobicContact CB-CB 4.3Å; I97-P335 HydrophobicContact CB-CG 3.56Å; I97-P335 HydrophobicContact CD1-CG 3.89Å; I97-P335 HydrophobicContact CG1-CG 4.31Å; I97-P335 HydrophobicContact CG2-CB 4.35Å; I97-P335 HydrophobicContact CG2-CG 3.58Å; S98-P335 VanDerWaalsContact OG-CB 3.25Å; S98-P335 WeakPolarHBondContact OG-CB 3.14Å; I104-P335 HydrophobicContact CD1-CB 4.45Å; I104-P335 WeakPolarHBondContact CD1-O 3.4Å
336	M	72.3	Confident	83.4	Confident	14 Å²	14	24.8 Å²	24.8	7%	0.069	11%	0.114	C	C	.	.	S	Bend	trans	-83.9	129.6	-173.6	-60.2	173.5	-170.5	0	0	109.3	I97 F332 P333 L460 I462 F470	I97-M336 HydrophobicContact CG2-CG 4.49Å; F332-M336 HydrophobicContact CB-CB 3.8Å; F332-M336 HydrophobicContact CD1-CB 4.07Å; F332-M336 HydrophobicContact CD1-SD 3.91Å; F332-M336 HydrophobicContact CG-CB 4.42Å; P333-M336 VanDerWaalsContact O-CB 3.26Å; P333-M336 WeakPolarHBondContact O-CB 2.87Å; P333-M336 PolarHBondContact O-N 3.29Å; M336-L460 HydrophobicContact CE-CD2 3.95Å; M336-L460 HydrophobicContact CG-CD2 4.1Å; M336-L460 HydrophobicContact SD-CD2 3.4Å; M336-L460 WeakPolarHBondContact SD-CD2 3.4Å; M336-I462 HydrophobicContact CE-CD1 3.96Å; M336-F470 HydrophobicContact CE-CD2 4.49Å; M336-F470 HydrophobicContact CE-CE2 4.35Å; M336-F470 HydrophobicContact SD-CE2 4.16Å; M336-F470 HydrophobicContact SD-CZ 4.09Å
337	V	72	Confident	83.3	Confident	4 Å²	4	28.4 Å²	28.4	2%	0.024	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-64	154.2	176.1	171.9	0	0	0	0	111.6	Q101 K103 I104 F332 R339 G424 V426	Q101-V337 HydrophobicContact CB-CG2 4.46Å; Q101-V337 VanDerWaalsContact OE1-N 3.1Å; K103-V337 HydrophobicContact CB-CB 4.05Å; K103-V337 HydrophobicContact CB-CG1 3.82Å; K103-V337 HydrophobicContact CB-CG2 3.29Å; K103-V337 HydrophobicContact CD-CG1 4.34Å; I104-V337 HydrophobicContact CB-CG2 4.44Å; F332-V337 WeakPolarHBondContact CB-O 3.36Å; V337-R339 VanDerWaalsContact N-NH1 3.18Å; V337-R339 WeakPolarHBondContact O-CD 3.5Å; V337-R339 PolarHBondContact O-NH1 2.89Å; V337-G424 WeakPolarHBondContact CG1-O 3.25Å; V337-V426 HydrophobicContact CB-CG2 4.22Å; V337-V426 HydrophobicContact CG1-CG2 4.19Å
338	D	85.9	Confident	82.9	Confident	19 Å²	19	32.3 Å²	32.3	10%	0.102	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-61.9	146	177.6	-66.6	-9.7	0	0	0	112.8	V307 V329 V330 R331 F332 L425 V426	V307-D338 WeakPolarHBondContact CG2-OD2 3.44Å; V329-D338 HydrophobicContact CG1-CB 4.43Å; V330-D338 WeakPolarHBondContact O-CA 3.41Å; V330-D338 WeakPolarHBondContact O-CB 3.14Å; R331-D338 WeakPolarHBondContact CA-OD1 3.25Å; F332-D338 PolarHBondContact N-OD1 3.04Å; F332-D338 VanDerWaalsContact N-OD1 3.16Å; D338-L425 HydrophobicContact CB-CD2 3.65Å; D338-V426 PolarHBondContact O-N 2.96Å
339	R	89.2	Confident	82.6	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	137.9	-178.5	-88.5	58.3	179.5	162.1	12	110.4	V329 V330 F332 V337 Y341 V426 V428 P458 C459	V329-R339 WeakPolarHBondContact CA-O 3.46Å; V330-R339 HydrophobicContact CG1-CB 3.94Å; V330-R339 PolarHBondContact N-O 3.32Å; V330-R339 PolarHBondContact O-N 3.42Å; F332-R339 HydrophobicContact CD2-CB 3.91Å; F332-R339 HydrophobicContact CD2-CG 4.03Å; F332-R339 HydrophobicContact CE1-CG 4.43Å; F332-R339 HydrophobicContact CE2-CB 3.67Å; F332-R339 HydrophobicContact CE2-CG 3.74Å; F332-R339 HydrophobicContact CZ-CB 4.36Å; F332-R339 HydrophobicContact CZ-CG 3.96Å; V337-R339 VanDerWaalsContact N-NH1 3.18Å; V337-R339 WeakPolarHBondContact O-CD 3.5Å; V337-R339 PolarHBondContact O-NH1 2.89Å; R339-Y341 HydrophobicContact CB-CD2 4.34Å; R339-Y341 HydrophobicContact CB-CE2 3.59Å; R339-Y341 HydrophobicContact CG-CE2 4.47Å; R339-V426 CarbonylContact C-O 3.52Å; R339-V426 VanDerWaalsContact CA-O 3.29Å; R339-V426 WeakPolarHBondContact CA-O 3.36Å; R339-V426 HydrophobicContact CG-CB 4.23Å; R339-V426 HydrophobicContact CG-CG1 4.36Å; R339-V428 HydrophobicContact CB-CG2 4.14Å; R339-V428 HydrophobicContact CG-CG2 3.8Å; R339-P458 PolarHBondContact NE-O 3.46Å; R339-P458 PolarHBondContact NH2-O 2.9Å; R339-C459 PolarHBondContact NH2-O 3.42Å
340	E	89.6	Confident	81.8	Confident	2 Å²	2	33.5 Å²	33.5	1%	0.009	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	125.6	170.1	177.9	179.1	-92.5	0	0	110	R327 W328 V329 V342 K401 I420 L425 V426 V428	R327-E340 IonicContact CZ-OE1 3.58Å; R327-E340 VanDerWaalsContact CZ-OE1 3.22Å; R327-E340 IonicContact NE-OE1 3.6Å; R327-E340 PolarHBondContact NE-OE1 3.21Å; R327-E340 IonicContact NH2-OE1 2.89Å; R327-E340 PolarHBondContact NH2-OE1 3.07Å; W328-E340 WeakPolarHBondContact O-CA 3.18Å; V329-E340 HydrophobicContact CG2-CB 4.46Å; V329-E340 HydrophobicContact CG2-CG 4.36Å; E340-V342 HydrophobicContact CG-CG2 4.26Å; E340-K401 IonicContact OE2-NZ 3.07Å; E340-K401 PolarHBondContact OE2-NZ 3.28Å; E340-I420 WeakPolarHBondContact OE1-CD1 3.43Å; E340-I420 WeakPolarHBondContact OE1-CG2 3Å; E340-L425 HydrophobicContact CB-CB 4.48Å; E340-L425 HydrophobicContact CB-CD1 4.24Å; E340-V426 PolarHBondContact N-O 2.93Å; E340-V428 PolarHBondContact O-N 2.96Å
341	Y	91.2	Very high	80.7	Confident	3 Å²	3	36.7 Å²	36.7	1%	0.012	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	134.8	168.4	-58.2	-102.2	0	0	0	108.4	R327 W328 V330 R339 V428 Y431 D456	R327-Y341 WeakPolarHBondContact CA-O 3.23Å; W328-Y341 HydrophobicContact CD2-CD2 4.18Å; W328-Y341 AromaticContact CE3-CD2 3.74Å; W328-Y341 HydrophobicContact CE3-CD2 3.74Å; W328-Y341 HydrophobicContact CE3-CE2 4.39Å; W328-Y341 AromaticContact CE3-CG 3.86Å; W328-Y341 HydrophobicContact CE3-CG 3.86Å; W328-Y341 HydrophobicContact CZ3-CD2 4.1Å; W328-Y341 HydrophobicContact CZ3-CE2 4.32Å; W328-Y341 HydrophobicContact CZ3-CG 4.27Å; W328-Y341 PolarHBondContact N-O 3.11Å; W328-Y341 PolarHBondContact O-N 2.75Å; V330-Y341 HydrophobicContact CG1-CD2 4.06Å; V330-Y341 HydrophobicContact CG1-CE2 3.57Å; R339-Y341 HydrophobicContact CB-CD2 4.34Å; R339-Y341 HydrophobicContact CB-CE2 3.59Å; R339-Y341 HydrophobicContact CG-CE2 4.47Å; Y341-V428 HydrophobicContact CD1-CB 3.67Å; Y341-V428 HydrophobicContact CD1-CG1 3.76Å; Y341-V428 HydrophobicContact CD1-CG2 4.19Å; Y341-V428 HydrophobicContact CE1-CB 3.52Å; Y341-V428 HydrophobicContact CE1-CG1 3.4Å; Y341-V428 VanDerWaalsContact CE1-CG1 3.4Å; Y341-V428 HydrophobicContact CE1-CG2 3.66Å; Y341-V428 HydrophobicContact CE2-CG2 4.1Å; Y341-V428 HydrophobicContact CG-CB 4.27Å; Y341-Y431 HydrophobicContact CD1-CD1 4.49Å; Y341-Y431 AromaticContact CD1-CD2 3.95Å; Y341-Y431 HydrophobicContact CD1-CD2 3.95Å; Y341-Y431 AromaticContact CD1-CG 3.83Å; Y341-Y431 HydrophobicContact CD1-CG 3.83Å; Y341-Y431 AromaticContact CE1-CD2 3.96Å; Y341-Y431 HydrophobicContact CE1-CD2 3.96Å; Y341-Y431 HydrophobicContact CE1-CG 4.23Å; Y341-D456 HydrophobicContact CE1-CB 4.3Å; Y341-D456 PolarHBondContact OH-OD2 3.38Å
342	V	88.6	Confident	79.6	Confident	4 Å²	4	34.4 Å²	34.4	2%	0.024	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	110.9	166.2	179.6	0	0	0	0	106.7	I312 I325 I326 R327 E340 C396 F400	I312-V342 HydrophobicContact CD1-CG1 4.21Å; I325-V342 HydrophobicContact CG2-CG1 4.23Å; I326-V342 WeakPolarHBondContact O-CA 3.48Å; R327-V342 HydrophobicContact CB-CG2 4.43Å; R327-V342 HydrophobicContact CG-CG2 4.22Å; E340-V342 HydrophobicContact CG-CG2 4.26Å; V342-C396 WeakPolarHBondContact O-CB 3.34Å; V342-C396 PolarHBondContact O-SG 2.75Å; V342-F400 HydrophobicContact CG1-CD1 4.26Å; V342-F400 HydrophobicContact CG1-CE1 4.02Å
343	Y	88.5	Confident	78.4	Confident	18 Å²	18	39.1 Å²	39.1	7%	0.071	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	158	-172.1	63.5	-91.7	0	0	0	111.6	I326 W328 R345 R395 Y431	I326-Y343 HydrophobicContact CB-CD1 4.48Å; I326-Y343 HydrophobicContact CB-CD2 4.3Å; I326-Y343 HydrophobicContact CB-CE1 4.06Å; I326-Y343 HydrophobicContact CB-CE2 3.88Å; I326-Y343 HydrophobicContact CD1-CE2 3.8Å; I326-Y343 HydrophobicContact CG1-CE2 4.34Å; I326-Y343 HydrophobicContact CG2-CE1 3.84Å; I326-Y343 HydrophobicContact CG2-CE2 4.29Å; I326-Y343 PolarHBondContact N-O 2.95Å; I326-Y343 PolarHBondContact O-N 3.21Å; W328-Y343 HydrophobicContact CB-CE1 3.84Å; W328-Y343 HydrophobicContact CD2-CE1 4.49Å; W328-Y343 AromaticContact CE3-CE1 3.9Å; W328-Y343 HydrophobicContact CE3-CE1 3.9Å; Y343-R345 HydrophobicContact CD2-CB 4.3Å; Y343-R345 HydrophobicContact CE2-CB 4.04Å; Y343-R395 WeakPolarHBondContact CA-O 3.38Å; Y343-R395 WeakPolarHBondContact CB-O 3.46Å; Y343-Y431 HydrophobicContact CD1-CD1 4.19Å; Y343-Y431 AromaticContact CD1-CE1 3.97Å; Y343-Y431 HydrophobicContact CD1-CE1 3.97Å; Y343-Y431 HydrophobicContact CD2-CE1 4.12Å; Y343-Y431 HydrophobicContact CE1-CE1 4.34Å; Y343-Y431 HydrophobicContact CE2-CE1 4.46Å; Y343-Y431 HydrophobicContact CG-CD1 4.03Å; Y343-Y431 AromaticContact CG-CE1 3.84Å; Y343-Y431 HydrophobicContact CG-CE1 3.84Å
344	V	86.4	Confident	77.5	Confident	27 Å²	27	39.9 Å²	39.9	16%	0.164	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	132.6	171.3	179.4	0	0	0	0	108.7	L323 D324 S394 R395 F400	L323-V344 HydrophobicContact CD2-CG1 3.49Å; L323-V344 VanDerWaalsContact CD2-CG1 3.49Å; D324-V344 CarbonylContact O-C 3.53Å; D324-V344 WeakPolarHBondContact O-CA 3.42Å; V344-S394 CarbonylContact O-C 3.56Å; V344-S394 VanDerWaalsContact O-CA 3.29Å; V344-S394 WeakPolarHBondContact O-CA 3.33Å; V344-R395 PolarHBondContact N-O 2.8Å; V344-R395 PolarHBondContact O-N 3.14Å; V344-F400 HydrophobicContact CG2-CD2 3.89Å; V344-F400 HydrophobicContact CG2-CE1 4.18Å; V344-F400 HydrophobicContact CG2-CE2 3.2Å; V344-F400 HydrophobicContact CG2-CZ 3.37Å
345	R	90.2	Very high	76.9	Confident	11 Å²	11	39.3 Å²	39.3	4%	0.042	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	135.1	175.2	-174.5	179.6	75.1	173.2	-0.1	110.8	Q293 L294 D324 I326 Y343 L392 I393	Q293-R345 PolarHBondContact O-NH1 3.06Å; Q293-R345 VanDerWaalsContact O-NH1 3.07Å; L294-R345 VanDerWaalsContact CA-NH1 3.34Å; L294-R345 PolarHBondContact O-NH1 2.75Å; L294-R345 PolarHBondContact O-NH2 2.86Å; D324-R345 HydrophobicContact CB-CB 4.03Å; D324-R345 PolarHBondContact N-O 3.37Å; D324-R345 PolarHBondContact O-N 3.12Å; D324-R345 IonicContact OD2-CZ 2.61Å; D324-R345 IonicContact OD2-NE 3.56Å; D324-R345 PolarHBondContact OD2-NE 3.08Å; D324-R345 IonicContact OD2-NH2 3.37Å; D324-R345 PolarHBondContact OD2-NH2 2.65Å; I326-R345 HydrophobicContact CD1-CB 3.7Å; I326-R345 HydrophobicContact CD1-CG 4.26Å; I326-R345 VanDerWaalsContact CD1-NE 3.32Å; Y343-R345 HydrophobicContact CD2-CB 4.3Å; Y343-R345 HydrophobicContact CE2-CB 4.04Å; R345-L392 HydrophobicContact CG-CD1 3.49Å; R345-L392 VanDerWaalsContact CG-CD1 3.49Å; R345-I393 CarbonylContact C-O 3.59Å; R345-I393 VanDerWaalsContact CA-O 3.3Å; R345-I393 WeakPolarHBondContact CA-O 3.2Å
346	R	85.5	Confident	76.1	Confident	84 Å²	84	44.2 Å²	44.2	32%	0.317	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	148.1	174.2	-67.6	179.5	175.3	147.7	1.1	109.8	L323 W348 L392 I393	L323-R346 HydrophobicContact CD2-CG 3.66Å; R346-W348 HydrophobicContact CB-CH2 3.29Å; R346-W348 HydrophobicContact CB-CZ2 3.86Å; R346-W348 HydrophobicContact CB-CZ3 3.72Å; R346-W348 HydrophobicContact CG-CH2 4.17Å; R346-W348 HydrophobicContact CG-CZ2 4.49Å; R346-L392 WeakPolarHBondContact O-CD1 3.38Å; R346-I393 PolarHBondContact N-O 2.91Å; R346-I393 PolarHBondContact O-N 2.68Å
347	W	87.3	Confident	74.5	Confident	77 Å²	77	48.3 Å²	48.3	29%	0.292	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	156	178.4	61.1	-87	0	0	0	111.8	L294 I349 Y391 L392 I501 Y503	L294-W347 HydrophobicContact CD1-CD2 3.6Å; L294-W347 HydrophobicContact CD1-CE3 4Å; L294-W347 HydrophobicContact CD1-CG 3.9Å; L294-W347 HydrophobicContact CD1-CZ2 4.24Å; L294-W347 HydrophobicContact CD2-CB 4Å; L294-W347 VanDerWaalsContact CD2-CD1 3.43Å; L294-W347 HydrophobicContact CD2-CD2 4.21Å; L294-W347 HydrophobicContact CD2-CG 3.59Å; L294-W347 HydrophobicContact CG-CG 4.41Å; W347-I349 HydrophobicContact CE3-CG1 4.26Å; W347-I349 HydrophobicContact CZ3-CD1 4Å; W347-I349 HydrophobicContact CZ3-CG1 4.03Å; W347-Y391 CarbonylContact C-O 3.54Å; W347-Y391 WeakPolarHBondContact CA-O 3.41Å; W347-Y391 WeakPolarHBondContact CB-O 3.23Å; W347-L392 HydrophobicContact CB-CB 4.42Å; W347-L392 HydrophobicContact CB-CD1 3.85Å; W347-I501 HydrophobicContact CZ2-CG2 4.27Å; W347-Y503 HydrophobicContact CE3-CD1 4.46Å; W347-Y503 AromaticContact CH2-CD1 3.45Å; W347-Y503 HydrophobicContact CH2-CD1 3.45Å; W347-Y503 VanDerWaalsContact CH2-CD1 3.45Å; W347-Y503 HydrophobicContact CH2-CE1 4.01Å; W347-Y503 HydrophobicContact CZ2-CD1 4.37Å; W347-Y503 AromaticContact CZ3-CD1 3.49Å; W347-Y503 HydrophobicContact CZ3-CD1 3.49Å; W347-Y503 VanDerWaalsContact CZ3-CD1 3.49Å; W347-Y503 HydrophobicContact CZ3-CE1 4.02Å
348	W	83.4	Confident	73.1	Confident	89 Å²	89	51.3 Å²	51.3	34%	0.337	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	152.4	-178.2	-58.2	-94	0	0	0	110.4	R346 A390 Y391 I393	R346-W348 HydrophobicContact CB-CH2 3.29Å; R346-W348 HydrophobicContact CB-CZ2 3.86Å; R346-W348 HydrophobicContact CB-CZ3 3.72Å; R346-W348 HydrophobicContact CG-CH2 4.17Å; R346-W348 HydrophobicContact CG-CZ2 4.49Å; W348-A390 CarbonylContact O-C 3.55Å; W348-A390 VanDerWaalsContact O-CA 3.28Å; W348-A390 WeakPolarHBondContact O-CA 3.39Å; W348-Y391 AromaticContact CE3-CD1 3.91Å; W348-Y391 HydrophobicContact CE3-CD1 3.91Å; W348-Y391 HydrophobicContact CZ3-CD1 4.06Å; W348-Y391 HydrophobicContact CZ3-CE1 4.47Å; W348-Y391 PolarHBondContact N-O 3.1Å; W348-Y391 PolarHBondContact O-N 3.47Å; W348-I393 HydrophobicContact CH2-CD1 3.98Å; W348-I393 HydrophobicContact CZ3-CB 4.35Å; W348-I393 HydrophobicContact CZ3-CD1 3.67Å; W348-I393 HydrophobicContact CZ3-CG1 3.99Å
349	I	84.6	Confident	71.1	Confident	33 Å²	33	54.5 Å²	54.5	17%	0.169	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	134.1	169.8	-58.9	175.3	0	0	0	107	L290 W347 A390 F443 Y503	L290-I349 HydrophobicContact CD2-CD1 3.52Å; L290-I349 HydrophobicContact CD2-CG1 3.79Å; W347-I349 HydrophobicContact CE3-CG1 4.26Å; W347-I349 HydrophobicContact CZ3-CD1 4Å; W347-I349 HydrophobicContact CZ3-CG1 4.03Å; I349-A390 HydrophobicContact CG1-CB 4.08Å; I349-F443 HydrophobicContact CD1-CE1 4.31Å; I349-Y503 HydrophobicContact CD1-CD1 3.44Å; I349-Y503 VanDerWaalsContact CD1-CD1 3.44Å; I349-Y503 HydrophobicContact CD1-CD2 4.42Å; I349-Y503 HydrophobicContact CD1-CE1 4.09Å; I349-Y503 HydrophobicContact CD1-CG 3.64Å
350	Q	75.5	Confident	68.5	Low	26 Å²	26	62.1 Å²	62.1	12%	0.121	31%	0.305	C	S	.	.			trans	-60	127.7	176.3	-171.7	-173.8	32.2	0	0	110	R388 Y389	Q350-R388 PolarHBondContact O-NE 2.71Å; Q350-R388 PolarHBondContact O-NH2 3.41Å; Q350-Y389 PolarHBondContact N-O 3.46Å
351	P	69	Low	66	Low	80 Å²	80	66.1 Å²	66.1	52%	0.519	33%	0.333	S	S	.	.			trans	-60.3	147.3	178.2	-23.7	33.4	0	0	0	113	E353 F354	P351-E353 VanDerWaalsContact C-N 3.29Å; P351-E353 PolarHBondContact O-N 2.74Å; P351-F354 PolarHBondContact O-N 3.49Å
352	T	62.6	Low	63.4	Low	77 Å²	77	73 Å²	73	47%	0.472	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-33.3	-178.8	-42.2	0	0	0	0	112.6	F354 R388	T352-F354 VanDerWaalsContact C-N 3.33Å; T352-F354 PolarHBondContact O-N 3.36Å; T352-R388 VanDerWaalsContact OG1-CZ 3.27Å; T352-R388 PolarHBondContact OG1-NH1 3.28Å; T352-R388 PolarHBondContact OG1-NH2 2.97Å; T352-R388 VanDerWaalsContact OG1-NH2 3.1Å
353	E	55.9	Low	61	Low	125 Å²	125	76.2 Å²	76.2	58%	0.584	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-20.4	-173.9	-64.8	178.4	-179	0	0	113.7	P351 S355 L356 N508	P351-E353 VanDerWaalsContact C-N 3.29Å; P351-E353 PolarHBondContact O-N 2.74Å; E353-S355 VanDerWaalsContact C-N 3.3Å; E353-S355 PolarHBondContact O-N 2.73Å; E353-L356 PolarHBondContact O-N 3.35Å; E353-N508 PolarHBondContact OE1-ND2 3.46Å
354	F	50.8	Low	58.5	Low	82 Å²	82	79.1 Å²	79.1	36%	0.36	42%	0.419	S	S	.	.	H	α-helix	trans	-66.2	-32.4	-172.6	-158.9	-93.3	0	0	0	112.6	P351 T352 L356 N357	P351-F354 PolarHBondContact O-N 3.49Å; T352-F354 VanDerWaalsContact C-N 3.33Å; T352-F354 PolarHBondContact O-N 3.36Å; F354-L356 PolarHBondContact O-N 3.42Å; F354-L356 VanDerWaalsContact O-N 3.08Å; F354-N357 PolarHBondContact O-N 3.25Å
355	S	45.3	Very low	56	Low	35 Å²	35	86.1 Å²	86.1	25%	0.245	45%	0.45	C	S	.	.	H	α-helix	trans	-60.3	-20.5	177.9	-56.7	0	0	0	0	113.4	E353	E353-S355 VanDerWaalsContact C-N 3.3Å; E353-S355 PolarHBondContact O-N 2.73Å
356	L	43.3	Very low	53.2	Low	119 Å²	119	94.5 Å²	94.5	62%	0.623	49%	0.487	S	S	*	.	H	α-helix	trans	-82.7	-32	178.1	-84.4	164.4	0	0	0	113.9	E353 F354	E353-L356 PolarHBondContact O-N 3.35Å; F354-L356 PolarHBondContact O-N 3.42Å; F354-L356 VanDerWaalsContact O-N 3.08Å
357	N	40	Very low	50.9	Low	99 Å²	99	97.5 Å²	97.5	53%	0.529	51%	0.509	S	S	.	.	H	α-helix	trans	-81.5	-29.4	-172.7	-75.3	-14.4	0	0	0	113.1	F354 E359 K360 S361	F354-N357 PolarHBondContact O-N 3.25Å; N357-E359 PolarHBondContact O-N 3.11Å; N357-E359 VanDerWaalsContact O-N 3.17Å; N357-K360 PolarHBondContact O-N 2.76Å; N357-K360 VanDerWaalsContact O-N 3.09Å; N357-S361 PolarHBondContact O-N 3.46Å
358	T	41.2	Very low	48.3	Very low	67 Å²	67	101.2 Å²	101.2	41%	0.411	53%	0.534	S	S	.	.	H	α-helix	trans	-56.5	-30.7	173.3	-43.5	0	0	0	0	111.5	L362	T358-L362 PolarHBondContact O-N 3.05Å
359	E	44.7	Very low	45.9	Very low	87 Å²	87	101.8 Å²	101.8	41%	0.407	55%	0.552	S	S	.	*	H	α-helix	trans	-77.9	-29.9	177.8	-65.7	-163.9	171.4	0	0	114.1	N357 S361 L362 A363	N357-E359 PolarHBondContact O-N 3.11Å; N357-E359 VanDerWaalsContact O-N 3.17Å; E359-S361 VanDerWaalsContact C-N 3.34Å; E359-L362 PolarHBondContact O-N 3.1Å; E359-A363 VanDerWaalsContact O-CB 3.25Å; E359-A363 WeakPolarHBondContact O-CB 3.35Å; E359-A363 PolarHBondContact O-N 2.91Å
360	K	35.8	Very low	43.4	Very low	160 Å²	160	105.7 Å²	105.7	70%	0.696	58%	0.583	S	S	*	*	H	α-helix	trans	-65.8	-39.9	175.4	-81.4	-175.4	179.3	175	0	111.3	N357 A363 S364	N357-K360 PolarHBondContact O-N 2.76Å; N357-K360 VanDerWaalsContact O-N 3.09Å; K360-A363 PolarHBondContact O-N 3.28Å; K360-S364 PolarHBondContact O-N 3.49Å; K360-S364 VanDerWaalsContact O-N 3.13Å; K360-S364 PolarHBondContact O-OG 3.26Å
361	S	36.7	Very low	41.4	Very low	85 Å²	85	113.1 Å²	113.1	59%	0.594	62%	0.617	S	S	*	*	H	α-helix	trans	-71.1	-30.9	176.1	-69	0	0	0	0	113	N357 E359 S364	N357-S361 PolarHBondContact O-N 3.46Å; E359-S361 VanDerWaalsContact C-N 3.34Å; S361-S364 PolarHBondContact O-OG 2.86Å
362	L	36	Very low	39.3	Very low	147 Å²	147	115 Å²	115	77%	0.77	63%	0.633	S	S	*	*	H	α-helix	trans	-78.3	-29.6	175.7	-146	76.3	0	0	0	112.5	T358 E359	T358-L362 PolarHBondContact O-N 3.05Å; E359-L362 PolarHBondContact O-N 3.1Å
363	A	38.5	Very low	37.7	Very low	73 Å²	73	117.4 Å²	117.4	60%	0.603	64%	0.641	S	S	*	*	H	α-helix	trans	-76.5	-29.5	176.9	0	0	0	0	0	113.1	E359 K360 H365 K366	E359-A363 VanDerWaalsContact O-CB 3.25Å; E359-A363 WeakPolarHBondContact O-CB 3.35Å; E359-A363 PolarHBondContact O-N 2.91Å; K360-A363 PolarHBondContact O-N 3.28Å; A363-H365 PolarHBondContact O-N 3.17Å; A363-K366 PolarHBondContact O-N 2.89Å
364	S	36.2	Very low	36.2	Very low	79 Å²	79	117.5 Å²	117.5	55%	0.552	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	-6.7	-177.7	64	0	0	0	0	114.7	K360 S361	K360-S364 PolarHBondContact O-N 3.49Å; K360-S364 VanDerWaalsContact O-N 3.13Å; K360-S364 PolarHBondContact O-OG 3.26Å; S361-S364 PolarHBondContact O-OG 2.86Å
365	H	32.7	Very low	35.1	Very low	174 Å²	174	120.9 Å²	120.9	81%	0.806	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	7.5	176.9	-97.4	-65.1	0	0	0	114.7	A363	A363-H365 PolarHBondContact O-N 3.17Å
366	K	33	Very low	34.3	Very low	186 Å²	186	123.5 Å²	123.5	81%	0.809	69%	0.692	S	S	*	*			trans	-109.5	34.4	-176.5	-135.6	178.7	-172.9	-179.4	0	114.5	A363	A363-K366 PolarHBondContact O-N 2.89Å
367	D	36.2	Very low	33.6	Very low	147 Å²	147	126.3 Å²	126.3	79%	0.786	70%	0.702	S	S	*	*			trans	-108	74.8	166.8	-75.6	-24	0	0	0	109.7
368	N	33.2	Very low	33	Very low	155 Å²	155	127.5 Å²	127.5	83%	0.829	71%	0.708	S	S	*	*	S	Bend	trans	-151.3	114.7	157.8	-92.6	-32.8	0	0	0	110.3
369	S	32.9	Very low	32.4	Very low	102 Å²	102	130.8 Å²	130.8	71%	0.713	72%	0.723	S	S	*	*			trans	51.1	99.3	154.6	61	0	0	0	0	118.6
370	S	31.3	Very low	32	Very low	115 Å²	115	132 Å²	132	80%	0.804	74%	0.736	S	S	*	*				38.8	90.6	125.1	51.8	0	0	0	0	118.4
371	E	33.2	Very low	32	Very low	181 Å²	181	130.2 Å²	130.2	85%	0.846	74%	0.739	S	S	*	*			trans	-158.8	112.3	135.5	-130.2	171.3	-173	0	0	109.7	I373	E371-I373 PolarHBondContact O-N 2.92Å
372	S	25	Very low	32.3	Very low	121 Å²	121	134.2 Å²	134.2	85%	0.846	75%	0.746	S	S	*	*			trans	-78.9	95.4	-178.1	52.5	0	0	0	0	110.3
373	I	29.8	Very low	32.5	Very low	127 Å²	127	134.4 Å²	134.4	65%	0.651	75%	0.748	S	S	*	*			trans	-102.8	120.9	163.3	-58.4	176.7	0	0	0	107.5	E371 L375	E371-I373 PolarHBondContact O-N 2.92Å; I373-L375 VanDerWaalsContact C-N 3.34Å; I373-L375 PolarHBondContact O-N 3.48Å
374	P	25.3	Very low	33	Very low	126 Å²	126	135.8 Å²	135.8	82%	0.818	74%	0.744	S	S	*	*			trans	-73.9	90.5	178.5	29.6	-29.8	0	0	0	108.6	S376	P374-S376 PolarHBondContact O-N 2.95Å
375	L	27.5	Very low	34.2	Very low	153 Å²	153	135.2 Å²	135.2	80%	0.801	74%	0.74	S	S	*	*			trans	-72.8	119.4	167.6	-99.4	143.3	0	0	0	108.3	I373 Q377	I373-L375 VanDerWaalsContact C-N 3.34Å; I373-L375 PolarHBondContact O-N 3.48Å; L375-Q377 PolarHBondContact O-N 3.32Å
376	S	26.9	Very low	36.1	Very low	90 Å²	90	129.9 Å²	129.9	63%	0.629	72%	0.72	S	S	*	*			trans	-38	129	174.7	44.2	0	0	0	0	112.1	P374 D378	P374-S376 PolarHBondContact O-N 2.95Å; S376-D378 PolarHBondContact O-N 3.29Å
377	Q	28.9	Very low	38.3	Very low	178 Å²	178	126.3 Å²	126.3	83%	0.832	70%	0.701	S	S	*	*			trans	-69.4	64.8	177.4	-164	170	-6.9	0	0	110	L375 N379	L375-Q377 PolarHBondContact O-N 3.32Å; Q377-N379 PolarHBondContact O-N 3.16Å
378	D	27.3	Very low	40.6	Very low	124 Å²	124	120.7 Å²	120.7	66%	0.663	67%	0.669	S	S	*	*			trans	-69.9	110.8	162.7	-91.7	-17.5	0	0	0	106.3	S376 T380	S376-D378 PolarHBondContact O-N 3.29Å; D378-T380 HydrophobicContact CB-CG2 4.41Å; D378-T380 PolarHBondContact O-N 3.34Å; D378-T380 PolarHBondContact O-OG1 2.72Å
379	N	29.4	Very low	43.1	Very low	137 Å²	137	115.4 Å²	115.4	73%	0.733	64%	0.638	S	S	*	*			trans	-63.9	44.8	167.2	-71.3	-28.8	0	0	0	111.2	Q377 T381	Q377-N379 PolarHBondContact O-N 3.16Å; N379-T381 PolarHBondContact O-N 2.81Å; N379-T381 PolarHBondContact O-OG1 3.45Å
380	T	36.6	Very low	45.8	Very low	111 Å²	111	110.6 Å²	110.6	68%	0.681	60%	0.604	S	S	*	*			trans	-70.1	77.4	155.8	49.8	0	0	0	0	105.5	D378 K382	D378-T380 HydrophobicContact CB-CG2 4.41Å; D378-T380 PolarHBondContact O-N 3.34Å; D378-T380 PolarHBondContact O-OG1 2.72Å; T380-K382 PolarHBondContact O-N 2.75Å
381	T	35.8	Very low	48.4	Very low	124 Å²	124	106.3 Å²	106.3	76%	0.761	57%	0.57	S	S	*	*			trans	-27.2	108.2	158	-32.4	0	0	0	0	106.3	N379 N383	N379-T381 PolarHBondContact O-N 2.81Å; N379-T381 PolarHBondContact O-OG1 3.45Å; T381-N383 VanDerWaalsContact C-N 3.31Å; T381-N383 WeakPolarHBondContact O-CA 3.39Å; T381-N383 PolarHBondContact O-N 3.3Å
382	K	41.5	Very low	51.1	Low	169 Å²	169	98.1 Å²	98.1	74%	0.735	53%	0.532	S	S	*	.			trans	-44.3	107	179	-77.3	178.9	174.9	-177.8	0	105.3	T380 I384	T380-K382 PolarHBondContact O-N 2.75Å; K382-I384 PolarHBondContact O-N 3.47Å
383	N	42	Very low	54.2	Low	151 Å²	151	92.9 Å²	92.9	81%	0.807	50%	0.495	S	S	*	.			trans	-75.2	83.9	-167	-160.9	5	0	0	0	103.8	T381 S385	T381-N383 VanDerWaalsContact C-N 3.31Å; T381-N383 WeakPolarHBondContact O-CA 3.39Å; T381-N383 PolarHBondContact O-N 3.3Å; N383-S385 PolarHBondContact O-N 3.5Å
384	I	48.9	Very low	57	Low	102 Å²	102	87.1 Å²	87.1	52%	0.523	47%	0.466	S	S	.	.			trans	-45.2	114.4	173.2	-65	166.5	0	0	0	103.3	K382 T386	K382-I384 PolarHBondContact O-N 3.47Å; I384-T386 VanDerWaalsContact C-N 3.25Å; I384-T386 PolarHBondContact O-N 2.85Å
385	S	60.2	Low	60	Low	67 Å²	67	86.1 Å²	86.1	47%	0.469	45%	0.445	S	S	.	.			trans	-60.9	99.5	-179.3	178.9	0	0	0	0	106.4	N383 R387	N383-S385 PolarHBondContact O-N 3.5Å; S385-R387 PolarHBondContact O-N 2.98Å
386	T	72.2	Confident	62.7	Low	62 Å²	62	79.7 Å²	79.7	38%	0.38	41%	0.413	S	S	.	.			trans	-72.9	-5.7	178.5	48.6	0	0	0	0	110.9	I384 G441	I384-T386 VanDerWaalsContact C-N 3.25Å; I384-T386 PolarHBondContact O-N 2.85Å; T386-G441 CarbonylContact C-O 3.43Å; T386-G441 CarbonylContact O-C 3.31Å; T386-G441 VanDerWaalsContact O-C 3.31Å; T386-G441 WeakPolarHBondContact OG1-CA 3.42Å
387	R	79.8	Confident	64.5	Low	110 Å²	110	78.9 Å²	78.9	42%	0.415	41%	0.407	S	S	.	.			trans	-57.7	138	174.5	-57.9	-165.8	-177.6	178.8	6	110.4	S385 E438 S439	S385-R387 PolarHBondContact O-N 2.98Å; R387-E438 WeakPolarHBondContact CD-OE1 3.3Å; R387-E438 IonicContact CZ-OE1 3.73Å; R387-E438 IonicContact NE-OE1 3.94Å; R387-E438 IonicContact NH1-OE1 2.81Å; R387-E438 PolarHBondContact NH1-OE1 3.24Å; R387-S439 WeakPolarHBondContact CB-O 3.07Å; R387-S439 VanDerWaalsContact CG-O 3.3Å; R387-S439 WeakPolarHBondContact CG-O 3.32Å
388	R	84.4	Confident	66	Low	30 Å²	30	73 Å²	73	11%	0.113	39%	0.389	C	S	.	.			trans	-134.6	151.1	177.1	-67.2	-174.1	71.6	168.2	1.3	109.1	Q350 T352 S439 F443 N505	Q350-R388 PolarHBondContact O-NE 2.71Å; Q350-R388 PolarHBondContact O-NH2 3.41Å; T352-R388 VanDerWaalsContact OG1-CZ 3.27Å; T352-R388 PolarHBondContact OG1-NH1 3.28Å; T352-R388 PolarHBondContact OG1-NH2 2.97Å; T352-R388 VanDerWaalsContact OG1-NH2 3.1Å; R388-S439 PolarHBondContact N-OG 3.42Å; R388-S439 PolarHBondContact O-N 2.63Å; R388-S439 PolarHBondContact O-OG 2.85Å; R388-F443 HydrophobicContact CB-CB 4.49Å; R388-F443 HydrophobicContact CB-CD2 3.97Å; R388-N505 PolarHBondContact NH2-OD1 2.88Å
389	Y	86.6	Confident	67.6	Low	44 Å²	44	71 Å²	71	17%	0.173	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	141.9	-179.5	-57.9	-90.5	0	0	0	110.7	Q350 L436 I437 E438	Q350-Y389 PolarHBondContact N-O 3.46Å; Y389-L436 HydrophobicContact CD1-CD1 4.04Å; Y389-I437 CarbonylContact C-O 3.53Å; Y389-I437 VanDerWaalsContact CA-O 3.28Å; Y389-I437 WeakPolarHBondContact CA-O 3.42Å; Y389-E438 HydrophobicContact CD1-CB 3.88Å; Y389-E438 HydrophobicContact CD1-CG 4.06Å; Y389-E438 HydrophobicContact CE1-CB 3.74Å; Y389-E438 HydrophobicContact CE1-CG 3.49Å; Y389-E438 VanDerWaalsContact CE1-CG 3.49Å; Y389-E438 PolarHBondContact OH-OE1 3.46Å
390	A	89.4	Confident	69.2	Low	0 Å²	0	66.2 Å²	66.2	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	143.8	163.3	0	0	0	0	0	109.4	L290 W348 I349 I437 F443	L290-A390 HydrophobicContact CD1-CB 4.3Å; L290-A390 HydrophobicContact CD2-CB 3.99Å; W348-A390 CarbonylContact O-C 3.55Å; W348-A390 VanDerWaalsContact O-CA 3.28Å; W348-A390 WeakPolarHBondContact O-CA 3.39Å; I349-A390 HydrophobicContact CG1-CB 4.08Å; A390-I437 HydrophobicContact CB-CB 4.31Å; A390-I437 PolarHBondContact N-O 3.32Å; A390-I437 PolarHBondContact O-N 2.93Å; A390-F443 HydrophobicContact CB-CE2 3.88Å; A390-F443 HydrophobicContact CB-CZ 3.67Å
391	Y	86.3	Confident	70.3	Confident	25 Å²	25	62.6 Å²	62.6	10%	0.098	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	136.7	-176.3	-175.5	-124.4	0	0	0	110.3	L218 F222 W347 W348 I393 E434 M435 L436	L218-Y391 HydrophobicContact CD1-CE1 4.43Å; L218-Y391 HydrophobicContact CD2-CD1 3.76Å; L218-Y391 HydrophobicContact CD2-CE1 4.1Å; F222-Y391 HydrophobicContact CE1-CD2 4.3Å; F222-Y391 HydrophobicContact CE2-CG 4.48Å; F222-Y391 HydrophobicContact CZ-CD1 4.07Å; F222-Y391 AromaticContact CZ-CD2 3.81Å; F222-Y391 HydrophobicContact CZ-CD2 3.81Å; F222-Y391 HydrophobicContact CZ-CE1 4.46Å; F222-Y391 HydrophobicContact CZ-CE2 4.31Å; F222-Y391 AromaticContact CZ-CG 3.7Å; F222-Y391 HydrophobicContact CZ-CG 3.7Å; W347-Y391 CarbonylContact C-O 3.54Å; W347-Y391 WeakPolarHBondContact CA-O 3.41Å; W347-Y391 WeakPolarHBondContact CB-O 3.23Å; W348-Y391 AromaticContact CE3-CD1 3.91Å; W348-Y391 HydrophobicContact CE3-CD1 3.91Å; W348-Y391 HydrophobicContact CZ3-CD1 4.06Å; W348-Y391 HydrophobicContact CZ3-CE1 4.47Å; W348-Y391 PolarHBondContact N-O 3.1Å; W348-Y391 PolarHBondContact O-N 3.47Å; Y391-I393 HydrophobicContact CD1-CD1 3.98Å; Y391-I393 HydrophobicContact CD1-CG1 3.92Å; Y391-I393 HydrophobicContact CE1-CD1 3.15Å; Y391-I393 HydrophobicContact CE1-CG1 3.25Å; Y391-I393 HydrophobicContact CE2-CG1 4.34Å; Y391-I393 VanDerWaalsContact CZ-CG1 3.46Å; Y391-E434 HydrophobicContact CE2-CB 4.06Å; Y391-E434 PolarHBondContact OH-OE2 3.23Å; Y391-M435 CarbonylContact C-O 3.51Å; Y391-M435 WeakPolarHBondContact CA-O 3.24Å; Y391-M435 VanDerWaalsContact CD2-O 3.31Å; Y391-M435 WeakPolarHBondContact CD2-O 3.44Å; Y391-L436 HydrophobicContact CD2-CB 4.31Å
392	L	89.8	Confident	71.5	Confident	9 Å²	9	62.8 Å²	62.8	5%	0.047	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	127.9	-176	169.6	65.8	0	0	0	108.6	Q293 L294 R345 R346 W347 E434 M435	Q293-L392 HydrophobicContact CB-CD2 3.79Å; Q293-L392 HydrophobicContact CG-CD2 4.25Å; L294-L392 HydrophobicContact CD2-CD1 3.86Å; R345-L392 HydrophobicContact CG-CD1 3.49Å; R345-L392 VanDerWaalsContact CG-CD1 3.49Å; R346-L392 WeakPolarHBondContact O-CD1 3.38Å; W347-L392 HydrophobicContact CB-CB 4.42Å; W347-L392 HydrophobicContact CB-CD1 3.85Å; L392-E434 CarbonylContact O-C 3.57Å; L392-E434 VanDerWaalsContact O-CA 3.29Å; L392-E434 WeakPolarHBondContact O-CA 3.28Å; L392-M435 HydrophobicContact CB-CB 4.31Å; L392-M435 PolarHBondContact N-O 3.44Å; L392-M435 PolarHBondContact O-N 2.66Å
393	I	88.3	Confident	72.3	Confident	11 Å²	11	60 Å²	60	6%	0.056	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	131.9	176.6	-62.1	172.8	0	0	0	108.7	R345 R346 W348 Y391 R395 S433 E434	R345-I393 CarbonylContact C-O 3.59Å; R345-I393 VanDerWaalsContact CA-O 3.3Å; R345-I393 WeakPolarHBondContact CA-O 3.2Å; R346-I393 PolarHBondContact N-O 2.91Å; R346-I393 PolarHBondContact O-N 2.68Å; W348-I393 HydrophobicContact CH2-CD1 3.98Å; W348-I393 HydrophobicContact CZ3-CB 4.35Å; W348-I393 HydrophobicContact CZ3-CD1 3.67Å; W348-I393 HydrophobicContact CZ3-CG1 3.99Å; Y391-I393 HydrophobicContact CD1-CD1 3.98Å; Y391-I393 HydrophobicContact CD1-CG1 3.92Å; Y391-I393 HydrophobicContact CE1-CD1 3.15Å; Y391-I393 HydrophobicContact CE1-CG1 3.25Å; Y391-I393 HydrophobicContact CE2-CG1 4.34Å; Y391-I393 VanDerWaalsContact CZ-CG1 3.46Å; I393-R395 HydrophobicContact CG2-CG 3.72Å; I393-R395 VanDerWaalsContact CG2-NE 3.31Å; I393-S433 CarbonylContact C-O 3.4Å; I393-S433 WeakPolarHBondContact CA-O 3.48Å; I393-E434 HydrophobicContact CG1-CG 4.17Å; I393-E434 HydrophobicContact CG2-CG 4.36Å
394	S	90.2	Very high	72.8	Confident	6 Å²	6	53.6 Å²	53.6	4%	0.042	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	123.7	170.7	-59.3	0	0	0	0	109.9	V344 H432 S433	V344-S394 CarbonylContact O-C 3.56Å; V344-S394 VanDerWaalsContact O-CA 3.29Å; V344-S394 WeakPolarHBondContact O-CA 3.33Å; S394-H432 CarbonylContact O-C 3.44Å; S394-H432 WeakPolarHBondContact O-CA 3.48Å; S394-S433 PolarHBondContact N-O 3.12Å; S394-S433 PolarHBondContact O-N 3.47Å
395	R	88.7	Confident	73.2	Confident	105 Å²	105	51.4 Å²	51.4	40%	0.396	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	135.9	-177.5	-59.5	-173.9	-169.2	134.6	-1.8	112.4	Y343 V344 I393 Y431 H432 E434	Y343-R395 WeakPolarHBondContact CA-O 3.38Å; Y343-R395 WeakPolarHBondContact CB-O 3.46Å; V344-R395 PolarHBondContact N-O 2.8Å; V344-R395 PolarHBondContact O-N 3.14Å; I393-R395 HydrophobicContact CG2-CG 3.72Å; I393-R395 VanDerWaalsContact CG2-NE 3.31Å; R395-Y431 WeakPolarHBondContact CA-O 3.43Å; R395-H432 WeakPolarHBondContact CD-ND1 3.31Å; R395-H432 WeakPolarHBondContact CG-ND1 3.46Å; R395-H432 PolarHBondContact NE-CE1 2.65Å; R395-H432 PolarHBondContact NE-ND1 2.93Å; R395-E434 IonicContact CZ-OE1 3.9Å; R395-E434 IonicContact NE-OE1 3.91Å; R395-E434 IonicContact NH2-OE1 2.8Å; R395-E434 PolarHBondContact NH2-OE1 2.75Å
396	C	83.2	Confident	72.9	Confident	19 Å²	19	55.2 Å²	55.2	13%	0.128	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	128.7	166.8	-179.4	0	0	0	0	108.4	V342 H429 Y431	V342-C396 WeakPolarHBondContact O-CB 3.34Å; V342-C396 PolarHBondContact O-SG 2.75Å; C396-H429 PolarHBondContact SG-O 3.14Å; C396-Y431 HydrophobicContact CB-CD1 4.45Å; C396-Y431 PolarHBondContact N-O 2.8Å
397	S	65.3	Low	72	Confident	72 Å²	72	54.2 Å²	54.2	50%	0.503	27%	0.271	S	S	.	.			trans	-115	145.1	168.7	178.3	0	0	0	0	109.1	D399 F400	S397-D399 PolarHBondContact O-N 3Å; S397-F400 WeakPolarHBondContact O-CB 3.23Å; S397-F400 PolarHBondContact O-N 2.68Å
398	A	60.3	Low	70.6	Confident	55 Å²	55	54.6 Å²	54.6	46%	0.455	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-41.2	-177.7	0	0	0	0	0	112.5	F400	A398-F400 PolarHBondContact O-N 3.04Å
399	D	59.5	Low	69.1	Low	83 Å²	83	57.8 Å²	57.8	44%	0.444	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-10.3	-177.1	-51.6	-8.5	0	0	0	112.8	S397 K401 E402 K403	S397-D399 PolarHBondContact O-N 3Å; D399-K401 PolarHBondContact O-N 2.75Å; D399-E402 PolarHBondContact O-N 2.96Å; D399-K403 HydrophobicContact CB-CD 4.47Å; D399-K403 WeakPolarHBondContact O-CB 3.43Å; D399-K403 WeakPolarHBondContact O-CG 3.38Å; D399-K403 PolarHBondContact O-N 2.93Å
400	F	63	Low	67.5	Low	35 Å²	35	56.2 Å²	56.2	15%	0.154	30%	0.304	C	S	.	.	H	α-helix	trans	-64.5	-43.1	-171.4	-179.1	-101.8	0	0	0	112.6	I325 V342 V344 S397 A398 K403 C404	I325-F400 HydrophobicContact CB-CZ 4.36Å; I325-F400 HydrophobicContact CD1-CZ 3.76Å; I325-F400 HydrophobicContact CG1-CZ 3.83Å; I325-F400 HydrophobicContact CG2-CE1 3.58Å; I325-F400 HydrophobicContact CG2-CZ 3.66Å; V342-F400 HydrophobicContact CG1-CD1 4.26Å; V342-F400 HydrophobicContact CG1-CE1 4.02Å; V344-F400 HydrophobicContact CG2-CD2 3.89Å; V344-F400 HydrophobicContact CG2-CE1 4.18Å; V344-F400 HydrophobicContact CG2-CE2 3.2Å; V344-F400 HydrophobicContact CG2-CZ 3.37Å; S397-F400 WeakPolarHBondContact O-CB 3.23Å; S397-F400 PolarHBondContact O-N 2.68Å; A398-F400 PolarHBondContact O-N 3.04Å; F400-K403 PolarHBondContact O-N 3.01Å; F400-C404 WeakPolarHBondContact CZ-SG 3.25Å; F400-C404 WeakPolarHBondContact O-CB 3.49Å; F400-C404 PolarHBondContact O-N 3.31Å; F400-C404 PolarHBondContact O-SG 3.46Å
401	K	60.2	Low	65.8	Low	36 Å²	36	60.6 Å²	60.6	16%	0.157	34%	0.335	C	S	.	.	H	α-helix	trans	-66.1	-38	176.6	-95.8	-166	-170.4	176.4	0	111.7	E340 D399 C404 T405 W417 Q427	E340-K401 IonicContact OE2-NZ 3.07Å; E340-K401 PolarHBondContact OE2-NZ 3.28Å; D399-K401 PolarHBondContact O-N 2.75Å; K401-C404 PolarHBondContact O-N 2.71Å; K401-T405 PolarHBondContact O-N 3.32Å; K401-T405 PolarHBondContact O-OG1 3Å; K401-W417 HydrophobicContact CG-CZ2 4.3Å; K401-Q427 VanDerWaalsContact CE-NE2 3.33Å; K401-Q427 VanDerWaalsContact NZ-NE2 3.18Å
402	E	61.4	Low	64.4	Low	127 Å²	127	63.5 Å²	63.5	59%	0.593	36%	0.359	S	S	*	.	H	α-helix	trans	-65.4	-47	177.6	-68.8	-172.7	176.5	0	0	110.9	D399 C404 T405 Q406	D399-E402 PolarHBondContact O-N 2.96Å; E402-C404 VanDerWaalsContact C-N 3.33Å; E402-C404 PolarHBondContact O-N 2.9Å; E402-T405 WeakPolarHBondContact CA-OG1 3.48Å; E402-T405 PolarHBondContact O-N 2.92Å; E402-T405 VanDerWaalsContact O-N 3.16Å; E402-T405 PolarHBondContact O-OG1 3.34Å; E402-Q406 WeakPolarHBondContact O-CG 3.28Å; E402-Q406 PolarHBondContact O-N 3.19Å; E402-Q406 VanDerWaalsContact O-N 3.07Å
403	K	57.8	Low	62.8	Low	111 Å²	111	63.8 Å²	63.8	48%	0.483	36%	0.36	S	S	.	.	H	α-helix	trans	-60.1	-42	175.8	-72.4	176.6	-179	176.7	0	112.3	D399 F400 Q406 S407	D399-K403 HydrophobicContact CB-CD 4.47Å; D399-K403 WeakPolarHBondContact O-CB 3.43Å; D399-K403 WeakPolarHBondContact O-CG 3.38Å; D399-K403 PolarHBondContact O-N 2.93Å; F400-K403 PolarHBondContact O-N 3.01Å; K403-Q406 PolarHBondContact O-N 3.39Å; K403-S407 PolarHBondContact O-N 2.9Å
404	C	53.4	Low	61.4	Low	16 Å²	16	68.3 Å²	68.3	11%	0.108	38%	0.38	C	S	.	.	H	α-helix	trans	-72.2	-28.6	177.3	-65.8	0	0	0	0	113.4	F400 K401 E402 S407 I410 W417	F400-C404 WeakPolarHBondContact CZ-SG 3.25Å; F400-C404 WeakPolarHBondContact O-CB 3.49Å; F400-C404 PolarHBondContact O-N 3.31Å; F400-C404 PolarHBondContact O-SG 3.46Å; K401-C404 PolarHBondContact O-N 2.71Å; E402-C404 VanDerWaalsContact C-N 3.33Å; E402-C404 PolarHBondContact O-N 2.9Å; C404-S407 PolarHBondContact O-N 3.44Å; C404-I410 HydrophobicContact CB-CD1 4.36Å; C404-I410 WeakPolarHBondContact O-CD1 3.46Å; C404-W417 HydrophobicContact CB-CH2 3.48Å; C404-W417 VanDerWaalsContact CB-CH2 3.48Å; C404-W417 HydrophobicContact CB-CZ2 4.49Å; C404-W417 HydrophobicContact CB-CZ3 4.14Å
405	T	56.2	Low	59.7	Low	56 Å²	56	71.3 Å²	71.3	34%	0.344	40%	0.401	S	S	.	.	H	α-helix	trans	-75	-25.6	175.3	35.6	0	0	0	0	113.1	K401 E402 S407 W417	K401-T405 PolarHBondContact O-N 3.32Å; K401-T405 PolarHBondContact O-OG1 3Å; E402-T405 WeakPolarHBondContact CA-OG1 3.48Å; E402-T405 PolarHBondContact O-N 2.92Å; E402-T405 VanDerWaalsContact O-N 3.16Å; E402-T405 PolarHBondContact O-OG1 3.34Å; T405-S407 VanDerWaalsContact C-N 3.34Å; T405-W417 HydrophobicContact CG2-CE3 3.49Å; T405-W417 VanDerWaalsContact CG2-CE3 3.49Å; T405-W417 HydrophobicContact CG2-CZ3 3.37Å
406	Q	54.2	Low	58.2	Low	148 Å²	148	68.4 Å²	68.4	69%	0.692	40%	0.396	S	S	*	.	H	α-helix	trans	-72.7	-26.7	173.3	-70.3	172.4	9.1	0	0	112.4	E402 K403 S408	E402-Q406 WeakPolarHBondContact O-CG 3.28Å; E402-Q406 PolarHBondContact O-N 3.19Å; E402-Q406 VanDerWaalsContact O-N 3.07Å; K403-Q406 PolarHBondContact O-N 3.39Å; Q406-S408 PolarHBondContact O-N 3.46Å
407	S	53.5	Low	56.8	Low	41 Å²	41	68.2 Å²	68.2	29%	0.287	39%	0.393	S	S	.	.	S	Bend	trans	-67	114.3	170.8	-179.6	0	0	0	0	110	K403 C404 T405 D409 I410	K403-S407 PolarHBondContact O-N 2.9Å; C404-S407 PolarHBondContact O-N 3.44Å; T405-S407 VanDerWaalsContact C-N 3.34Å; S407-D409 PolarHBondContact O-N 3.09Å; S407-I410 PolarHBondContact O-N 2.92Å
408	S	50.1	Low	56.5	Low	117 Å²	117	69.2 Å²	69.2	82%	0.818	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-16.5	-171.9	-61.1	0	0	0	0	113.3	Q406 I410	Q406-S408 PolarHBondContact O-N 3.46Å; S408-I410 PolarHBondContact O-N 2.8Å
409	D	52.9	Low	56.2	Low	98 Å²	98	71.2 Å²	71.2	52%	0.524	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	3.1	-177.2	-73.2	-43.1	0	0	0	114.3	S407	S407-D409 PolarHBondContact O-N 3.09Å
410	I	54.1	Low	55.9	Low	11 Å²	11	67.9 Å²	67.9	6%	0.056	38%	0.375	C	S	.	.			trans	-106.5	24.3	-166.5	-58.1	-165.8	0	0	0	111.8	P314 C404 S407 S408 S412 V413 K414 W417	P314-I410 HydrophobicContact CB-CD1 4.33Å; P314-I410 HydrophobicContact CB-CG1 4.26Å; P314-I410 HydrophobicContact CG-CD1 4Å; P314-I410 HydrophobicContact CG-CG1 4.45Å; C404-I410 HydrophobicContact CB-CD1 4.36Å; C404-I410 WeakPolarHBondContact O-CD1 3.46Å; S407-I410 PolarHBondContact O-N 2.92Å; S408-I410 PolarHBondContact O-N 2.8Å; I410-S412 VanDerWaalsContact C-N 3.27Å; I410-S412 PolarHBondContact O-N 3.48Å; I410-V413 HydrophobicContact CG2-CB 3.41Å; I410-V413 VanDerWaalsContact CG2-CB 3.41Å; I410-V413 HydrophobicContact CG2-CG1 4.13Å; I410-V413 HydrophobicContact CG2-CG2 3.72Å; I410-V413 PolarHBondContact O-N 3.48Å; I410-V413 VanDerWaalsContact O-N 3.13Å; I410-K414 WeakPolarHBondContact O-CB 3.47Å; I410-K414 PolarHBondContact O-N 3.4Å; I410-W417 HydrophobicContact CG2-CH2 4.44Å; I410-W417 HydrophobicContact CG2-CZ3 4.42Å
411	S	52.9	Low	55.6	Low	92 Å²	92	73.7 Å²	73.7	64%	0.643	40%	0.4	S	S	*	.	H	α-helix	trans	-53.4	-40.3	180	179.1	0	0	0	0	113.3	K414 S415	S411-K414 PolarHBondContact O-N 2.92Å; S411-S415 PolarHBondContact O-N 2.77Å
412	S	56.8	Low	55.4	Low	86 Å²	86	80.1 Å²	80.1	60%	0.601	43%	0.428	S	S	*	.	H	α-helix	trans	-63.5	-46.3	179.1	61.2	0	0	0	0	111.6	I410 S415 S416	I410-S412 VanDerWaalsContact C-N 3.27Å; I410-S412 PolarHBondContact O-N 3.48Å; S412-S415 PolarHBondContact O-N 3.11Å; S412-S415 PolarHBondContact O-OG 3.5Å; S412-S416 PolarHBondContact O-N 2.82Å
413	V	56.3	Low	55.7	Low	14 Å²	14	80.6 Å²	80.6	9%	0.085	42%	0.424	C	S	.	.	H	α-helix	trans	-71.2	-36.2	178.3	-172.4	0	0	0	0	111	I312 I410 S415 S416 W417	I312-V413 HydrophobicContact CB-CG1 4.31Å; I312-V413 HydrophobicContact CB-CG2 4.44Å; I312-V413 HydrophobicContact CD1-CG1 3.79Å; I410-V413 HydrophobicContact CG2-CB 3.41Å; I410-V413 VanDerWaalsContact CG2-CB 3.41Å; I410-V413 HydrophobicContact CG2-CG1 4.13Å; I410-V413 HydrophobicContact CG2-CG2 3.72Å; I410-V413 PolarHBondContact O-N 3.48Å; I410-V413 VanDerWaalsContact O-N 3.13Å; V413-S415 VanDerWaalsContact C-N 3.33Å; V413-S415 PolarHBondContact O-N 3.37Å; V413-S416 CarbonylContact O-C 3.55Å; V413-S416 WeakPolarHBondContact O-CA 3.02Å; V413-S416 WeakPolarHBondContact O-CB 3.33Å; V413-S416 PolarHBondContact O-N 2.86Å; V413-W417 HydrophobicContact CG1-CD2 4.02Å; V413-W417 HydrophobicContact CG1-CE3 4.46Å; V413-W417 HydrophobicContact CG1-CH2 4Å; V413-W417 HydrophobicContact CG1-CZ2 3.55Å; V413-W417 HydrophobicContact CG1-CZ3 4.43Å; V413-W417 PolarHBondContact O-N 3.45Å
414	K	58.3	Low	56.5	Low	106 Å²	106	76.7 Å²	76.7	46%	0.461	42%	0.416	S	S	.	.	H	α-helix	trans	-60.7	-42.4	175.6	-170.3	174.8	-176.3	174	0	111.5	I410 S411 S416 W417 E418	I410-K414 WeakPolarHBondContact O-CB 3.47Å; I410-K414 PolarHBondContact O-N 3.4Å; S411-K414 PolarHBondContact O-N 2.92Å; K414-S416 VanDerWaalsContact C-N 3.27Å; K414-S416 PolarHBondContact O-N 3.2Å; K414-W417 PolarHBondContact O-N 2.81Å; K414-W417 VanDerWaalsContact O-N 3.15Å; K414-E418 PolarHBondContact O-N 3.41Å
415	S	56.3	Low	57.9	Low	69 Å²	69	77.4 Å²	77.4	48%	0.483	42%	0.418	S	S	.	.	H	α-helix	trans	-61.7	-37	173.3	81.7	0	0	0	0	112.1	S411 S412 V413 N419	S411-S415 PolarHBondContact O-N 2.77Å; S412-S415 PolarHBondContact O-N 3.11Å; S412-S415 PolarHBondContact O-OG 3.5Å; V413-S415 VanDerWaalsContact C-N 3.33Å; V413-S415 PolarHBondContact O-N 3.37Å; S415-N419 PolarHBondContact O-N 3.28Å; S415-N419 VanDerWaalsContact O-N 3.09Å
416	S	56	Low	59.1	Low	44 Å²	44	75.3 Å²	75.3	31%	0.308	41%	0.406	S	S	.	.	H	α-helix	trans	-62.1	-48.9	172.1	-168	0	0	0	0	110.2	S412 V413 K414 E418 N419 I420	S412-S416 PolarHBondContact O-N 2.82Å; V413-S416 CarbonylContact O-C 3.55Å; V413-S416 WeakPolarHBondContact O-CA 3.02Å; V413-S416 WeakPolarHBondContact O-CB 3.33Å; V413-S416 PolarHBondContact O-N 2.86Å; K414-S416 VanDerWaalsContact C-N 3.27Å; K414-S416 PolarHBondContact O-N 3.2Å; S416-E418 PolarHBondContact O-N 3.01Å; S416-N419 PolarHBondContact O-N 2.9Å; S416-I420 WeakPolarHBondContact O-CD1 3.46Å; S416-I420 WeakPolarHBondContact O-CG1 3.42Å; S416-I420 PolarHBondContact O-N 2.82Å; S416-I420 VanDerWaalsContact O-N 3.08Å
417	W	55.2	Low	60.6	Low	16 Å²	16	71 Å²	71	6%	0.061	39%	0.386	C	S	.	.	H	α-helix	trans	-62.5	-36.5	178.2	-69.3	-21	0	0	0	114.6	I312 K401 C404 T405 I410 V413 K414 I420 K421	I312-W417 HydrophobicContact CD1-CZ2 4.13Å; K401-W417 HydrophobicContact CG-CZ2 4.3Å; C404-W417 HydrophobicContact CB-CH2 3.48Å; C404-W417 VanDerWaalsContact CB-CH2 3.48Å; C404-W417 HydrophobicContact CB-CZ2 4.49Å; C404-W417 HydrophobicContact CB-CZ3 4.14Å; T405-W417 HydrophobicContact CG2-CE3 3.49Å; T405-W417 VanDerWaalsContact CG2-CE3 3.49Å; T405-W417 HydrophobicContact CG2-CZ3 3.37Å; I410-W417 HydrophobicContact CG2-CH2 4.44Å; I410-W417 HydrophobicContact CG2-CZ3 4.42Å; V413-W417 HydrophobicContact CG1-CD2 4.02Å; V413-W417 HydrophobicContact CG1-CE3 4.46Å; V413-W417 HydrophobicContact CG1-CH2 4Å; V413-W417 HydrophobicContact CG1-CZ2 3.55Å; V413-W417 HydrophobicContact CG1-CZ3 4.43Å; V413-W417 PolarHBondContact O-N 3.45Å; K414-W417 PolarHBondContact O-N 2.81Å; K414-W417 VanDerWaalsContact O-N 3.15Å; W417-I420 VanDerWaalsContact O-CB 3.29Å; W417-I420 WeakPolarHBondContact O-CB 3.27Å; W417-I420 PolarHBondContact O-N 3.41Å; W417-K421 PolarHBondContact O-N 2.95Å
418	E	58	Low	62.2	Low	92 Å²	92	69.1 Å²	69.1	43%	0.43	37%	0.372	S	S	.	.	H	α-helix	trans	-74.7	-35.9	177.4	-74.2	-60.5	146.3	0	0	112.1	K414 S416 I420 K421	K414-E418 PolarHBondContact O-N 3.41Å; S416-E418 PolarHBondContact O-N 3.01Å; E418-I420 PolarHBondContact O-N 2.71Å; E418-K421 IonicContact OE1-NZ 3.1Å; E418-K421 PolarHBondContact OE1-NZ 3.35Å; E418-K421 IonicContact OE2-NZ 2.63Å
419	N	54.3	Low	63.8	Low	97 Å²	97	67.8 Å²	67.8	52%	0.519	35%	0.353	S	S	.	.	H	α-helix	trans	-63.2	-27.2	168.2	-95.7	-37.9	0	0	0	112.2	S415 S416 K422	S415-N419 PolarHBondContact O-N 3.28Å; S415-N419 VanDerWaalsContact O-N 3.09Å; S416-N419 PolarHBondContact O-N 2.9Å; N419-K422 WeakPolarHBondContact O-CB 3.46Å; N419-K422 PolarHBondContact O-N 3.28Å
420	I	53.2	Low	65.3	Low	13 Å²	13	66.8 Å²	66.8	7%	0.067	35%	0.345	C	S	.	.	H	α-helix	trans	-70.9	-39.4	-178.9	-75.2	157.5	0	0	0	112.9	R327 E340 S416 W417 E418 K422 R423	R327-I420 VanDerWaalsContact CZ-CD1 3.41Å; E340-I420 WeakPolarHBondContact OE1-CD1 3.43Å; E340-I420 WeakPolarHBondContact OE1-CG2 3Å; S416-I420 WeakPolarHBondContact O-CD1 3.46Å; S416-I420 WeakPolarHBondContact O-CG1 3.42Å; S416-I420 PolarHBondContact O-N 2.82Å; S416-I420 VanDerWaalsContact O-N 3.08Å; W417-I420 VanDerWaalsContact O-CB 3.29Å; W417-I420 WeakPolarHBondContact O-CB 3.27Å; W417-I420 PolarHBondContact O-N 3.41Å; E418-I420 PolarHBondContact O-N 2.71Å; I420-K422 PolarHBondContact O-N 2.78Å; I420-R423 PolarHBondContact O-N 3.35Å
421	K	56	Low	66.9	Low	157 Å²	157	67 Å²	67	68%	0.683	35%	0.345	S	S	*	.	H	α-helix	trans	-53.7	-24	175.5	-76	178.1	-177.2	157.6	0	112.2	W417 E418	W417-K421 PolarHBondContact O-N 2.95Å; E418-K421 IonicContact OE1-NZ 3.1Å; E418-K421 PolarHBondContact OE1-NZ 3.35Å; E418-K421 IonicContact OE2-NZ 2.63Å
422	K	56.5	Low	68.5	Low	171 Å²	171	63.7 Å²	63.7	74%	0.743	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-12.6	179.5	-58.7	-177.9	179.5	176.7	0	114.9	N419 I420	N419-K422 WeakPolarHBondContact O-CB 3.46Å; N419-K422 PolarHBondContact O-N 3.28Å; I420-K422 PolarHBondContact O-N 2.78Å
423	R	67.8	Low	70.1	Confident	137 Å²	137	60.3 Å²	60.3	52%	0.517	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	4	-171.2	-67.7	-173	177.9	175.7	-5	115.5	E308 I420 L425	E308-R423 IonicContact OE1-CZ 3.22Å; E308-R423 IonicContact OE1-NH1 2.72Å; E308-R423 PolarHBondContact OE1-NH1 3.21Å; E308-R423 IonicContact OE1-NH2 3.29Å; E308-R423 IonicContact OE2-NH1 3.38Å; E308-R423 PolarHBondContact OE2-NH1 2.5Å; I420-R423 PolarHBondContact O-N 3.35Å; R423-L425 HydrophobicContact CB-CD1 4.36Å; R423-L425 HydrophobicContact CB-CG 4.1Å; R423-L425 PolarHBondContact O-N 2.85Å
424	G	73.9	Confident	71.8	Confident	30 Å²	30	61 Å²	61	31%	0.309	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	66	19.2	176.3	0	0	0	0	0	114.6	K103 V337	K103-G424 WeakPolarHBondContact CB-O 3.21Å; K103-G424 WeakPolarHBondContact CD-O 2.99Å; K103-G424 WeakPolarHBondContact CG-O 3.18Å; V337-G424 WeakPolarHBondContact CG1-O 3.25Å
425	L	83.2	Confident	73.3	Confident	30 Å²	30	56.1 Å²	56.1	16%	0.157	28%	0.277	C	S	.	.			trans	-72.6	156.7	-179.9	-58.5	175	0	0	0	112.1	K103 V329 D338 E340 R423	K103-L425 PolarHBondContact NZ-O 3.25Å; V329-L425 HydrophobicContact CG1-CD1 3.92Å; V329-L425 HydrophobicContact CG1-CD2 4.05Å; V329-L425 HydrophobicContact CG2-CD1 4.23Å; D338-L425 HydrophobicContact CB-CD2 3.65Å; E340-L425 HydrophobicContact CB-CB 4.48Å; E340-L425 HydrophobicContact CB-CD1 4.24Å; R423-L425 HydrophobicContact CB-CD1 4.36Å; R423-L425 HydrophobicContact CB-CG 4.1Å; R423-L425 PolarHBondContact O-N 2.85Å
426	V	82.5	Confident	75	Confident	12 Å²	12	53.5 Å²	53.5	7%	0.073	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	115.8	165.4	175.7	0	0	0	0	108.4	K103 V337 D338 R339 E340 C459	K103-V426 HydrophobicContact CD-CG2 3.86Å; V337-V426 HydrophobicContact CB-CG2 4.22Å; V337-V426 HydrophobicContact CG1-CG2 4.19Å; D338-V426 PolarHBondContact O-N 2.96Å; R339-V426 CarbonylContact C-O 3.52Å; R339-V426 VanDerWaalsContact CA-O 3.29Å; R339-V426 WeakPolarHBondContact CA-O 3.36Å; R339-V426 HydrophobicContact CG-CB 4.23Å; R339-V426 HydrophobicContact CG-CG1 4.36Å; E340-V426 PolarHBondContact N-O 2.93Å; V426-C459 HydrophobicContact CG1-CB 3.85Å
427	Q	84.7	Confident	76.7	Confident	59 Å²	59	51.4 Å²	51.4	28%	0.276	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	129.8	174.6	-175.9	175.8	-22.7	0	0	110	K401 H429	K401-Q427 VanDerWaalsContact CE-NE2 3.33Å; K401-Q427 VanDerWaalsContact NZ-NE2 3.18Å; Q427-H429 PolarHBondContact NE2-CE1 2.76Å; Q427-H429 VanDerWaalsContact NE2-CE1 3.26Å; Q427-H429 PolarHBondContact O-CD2 3.06Å
428	V	87	Confident	78.4	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	120.9	172.9	179.7	0	0	0	0	109.2	R339 E340 Y341 E430 D457	R339-V428 HydrophobicContact CB-CG2 4.14Å; R339-V428 HydrophobicContact CG-CG2 3.8Å; E340-V428 PolarHBondContact O-N 2.96Å; Y341-V428 HydrophobicContact CD1-CB 3.67Å; Y341-V428 HydrophobicContact CD1-CG1 3.76Å; Y341-V428 HydrophobicContact CD1-CG2 4.19Å; Y341-V428 HydrophobicContact CE1-CB 3.52Å; Y341-V428 HydrophobicContact CE1-CG1 3.4Å; Y341-V428 VanDerWaalsContact CE1-CG1 3.4Å; Y341-V428 HydrophobicContact CE1-CG2 3.66Å; Y341-V428 HydrophobicContact CE2-CG2 4.1Å; Y341-V428 HydrophobicContact CG-CB 4.27Å; V428-E430 WeakPolarHBondContact CG1-O 3.47Å; V428-D457 WeakPolarHBondContact CG1-O 3.39Å
429	H	83.6	Confident	80.1	Confident	89 Å²	89	46.8 Å²	46.8	41%	0.412	22%	0.222	S	C	.	.			trans	-98.3	-16.8	-175.1	-67.1	-82.9	0	0	0	113.6	C396 Q427	C396-H429 PolarHBondContact SG-O 3.14Å; Q427-H429 PolarHBondContact NE2-CE1 2.76Å; Q427-H429 VanDerWaalsContact NE2-CE1 3.26Å; Q427-H429 PolarHBondContact O-CD2 3.06Å
430	E	84.2	Confident	81.9	Confident	78 Å²	78	45.3 Å²	45.3	36%	0.364	21%	0.212	S	C	.	.			trans	-128.1	117.8	177.3	-71.4	177.3	-149.1	0	0	108.7	K272 V428 D456 D457	K272-E430 IonicContact NZ-OE1 2.79Å; K272-E430 PolarHBondContact NZ-OE1 2.62Å; K272-E430 VanDerWaalsContact NZ-OE1 3.1Å; K272-E430 IonicContact NZ-OE2 2.75Å; K272-E430 PolarHBondContact NZ-OE2 3.23Å; V428-E430 WeakPolarHBondContact CG1-O 3.47Å; E430-D456 WeakPolarHBondContact O-CA 3.05Å; E430-D457 HydrophobicContact CB-CB 4.34Å; E430-D457 PolarHBondContact O-N 2.98Å
431	Y	87.7	Confident	83.7	Confident	16 Å²	16	45 Å²	45	6%	0.063	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	135.5	178.3	164.3	-102.2	0	0	0	109	W328 Y341 Y343 R395 C396 S433 Y454 D456	W328-Y431 HydrophobicContact CZ3-CE2 4.4Å; Y341-Y431 HydrophobicContact CD1-CD1 4.49Å; Y341-Y431 AromaticContact CD1-CD2 3.95Å; Y341-Y431 HydrophobicContact CD1-CD2 3.95Å; Y341-Y431 AromaticContact CD1-CG 3.83Å; Y341-Y431 HydrophobicContact CD1-CG 3.83Å; Y341-Y431 AromaticContact CE1-CD2 3.96Å; Y341-Y431 HydrophobicContact CE1-CD2 3.96Å; Y341-Y431 HydrophobicContact CE1-CG 4.23Å; Y343-Y431 HydrophobicContact CD1-CD1 4.19Å; Y343-Y431 AromaticContact CD1-CE1 3.97Å; Y343-Y431 HydrophobicContact CD1-CE1 3.97Å; Y343-Y431 HydrophobicContact CD2-CE1 4.12Å; Y343-Y431 HydrophobicContact CE1-CE1 4.34Å; Y343-Y431 HydrophobicContact CE2-CE1 4.46Å; Y343-Y431 HydrophobicContact CG-CD1 4.03Å; Y343-Y431 AromaticContact CG-CE1 3.84Å; Y343-Y431 HydrophobicContact CG-CE1 3.84Å; R395-Y431 WeakPolarHBondContact CA-O 3.43Å; C396-Y431 HydrophobicContact CB-CD1 4.45Å; C396-Y431 PolarHBondContact N-O 2.8Å; Y431-S433 VanDerWaalsContact OH-CB 3.29Å; Y431-S433 WeakPolarHBondContact OH-CB 3.46Å; Y431-Y454 HydrophobicContact CD2-CE2 4.44Å; Y431-Y454 HydrophobicContact CE2-CD2 4.35Å; Y431-Y454 AromaticContact CE2-CE2 3.77Å; Y431-Y454 HydrophobicContact CE2-CE2 3.77Å; Y431-D456 HydrophobicContact CD2-CB 4.07Å
432	H	87.4	Confident	85.2	Confident	22 Å²	22	43.4 Å²	43.4	10%	0.102	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	130.8	178.7	-175.9	101.3	0	0	0	109.7	S394 R395 E434 Y454 Y455	S394-H432 CarbonylContact O-C 3.44Å; S394-H432 WeakPolarHBondContact O-CA 3.48Å; R395-H432 WeakPolarHBondContact CD-ND1 3.31Å; R395-H432 WeakPolarHBondContact CG-ND1 3.46Å; R395-H432 PolarHBondContact NE-CE1 2.65Å; R395-H432 PolarHBondContact NE-ND1 2.93Å; H432-E434 IonicContact CE1-OE1 3.05Å; H432-E434 PolarHBondContact CE1-OE1 2.81Å; H432-E434 VanDerWaalsContact NE2-CD 3.27Å; H432-E434 WeakPolarHBondContact NE2-CG 3.43Å; H432-E434 IonicContact NE2-OE1 3.16Å; H432-E434 PolarHBondContact NE2-OE1 2.73Å; H432-Y454 WeakPolarHBondContact O-CA 3.31Å; H432-Y455 HydrophobicContact CB-CD1 3.79Å; H432-Y455 HydrophobicContact CB-CD2 4.05Å; H432-Y455 HydrophobicContact CB-CE1 3.3Å; H432-Y455 HydrophobicContact CB-CE2 3.59Å; H432-Y455 HydrophobicContact CB-CG 4.14Å; H432-Y455 WeakPolarHBondContact CB-OH 3.42Å; H432-Y455 AromaticContact CD2-CD1 4Å; H432-Y455 AromaticContact CD2-CE1 3.46Å; H432-Y455 VanDerWaalsContact CD2-CE1 3.46Å; H432-Y455 WeakPolarHBondContact CD2-CE1 3.27Å; H432-Y455 AromaticContact CG-CE1 3.41Å; H432-Y455 VanDerWaalsContact CG-CE1 3.41Å; H432-Y455 AromaticContact CG-CZ 3.6Å; H432-Y455 PolarHBondContact N-O 2.79Å; H432-Y455 PolarHBondContact O-N 2.77Å
433	S	91.2	Very high	86.9	Confident	15 Å²	15	36 Å²	36	11%	0.105	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	129.7	173.7	179.2	0	0	0	0	109.5	I393 S394 Y431 L452 I453	I393-S433 CarbonylContact C-O 3.4Å; I393-S433 WeakPolarHBondContact CA-O 3.48Å; S394-S433 PolarHBondContact N-O 3.12Å; S394-S433 PolarHBondContact O-N 3.47Å; Y431-S433 VanDerWaalsContact OH-CB 3.29Å; Y431-S433 WeakPolarHBondContact OH-CB 3.46Å; S433-L452 VanDerWaalsContact OG-CD1 3.25Å; S433-L452 WeakPolarHBondContact OG-CD1 3.27Å; S433-I453 CarbonylContact C-O 3.53Å; S433-I453 VanDerWaalsContact CA-O 3.27Å; S433-I453 WeakPolarHBondContact CA-O 3.19Å
434	E	90	Very high	87.9	Confident	29 Å²	29	35.3 Å²	35.3	14%	0.136	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	128.6	173.3	-61	-176.7	-177.8	0	0	108.9	Y391 L392 I393 R395 H432 L452 I453	Y391-E434 HydrophobicContact CE2-CB 4.06Å; Y391-E434 PolarHBondContact OH-OE2 3.23Å; L392-E434 CarbonylContact O-C 3.57Å; L392-E434 VanDerWaalsContact O-CA 3.29Å; L392-E434 WeakPolarHBondContact O-CA 3.28Å; I393-E434 HydrophobicContact CG1-CG 4.17Å; I393-E434 HydrophobicContact CG2-CG 4.36Å; R395-E434 IonicContact CZ-OE1 3.9Å; R395-E434 IonicContact NE-OE1 3.91Å; R395-E434 IonicContact NH2-OE1 2.8Å; R395-E434 PolarHBondContact NH2-OE1 2.75Å; H432-E434 IonicContact CE1-OE1 3.05Å; H432-E434 PolarHBondContact CE1-OE1 2.81Å; H432-E434 VanDerWaalsContact NE2-CD 3.27Å; H432-E434 WeakPolarHBondContact NE2-CG 3.43Å; H432-E434 IonicContact NE2-OE1 3.16Å; H432-E434 PolarHBondContact NE2-OE1 2.73Å; E434-L452 CarbonylContact O-C 3.52Å; E434-L452 VanDerWaalsContact O-CA 3.24Å; E434-L452 WeakPolarHBondContact O-CA 3.26Å; E434-L452 WeakPolarHBondContact O-CD1 3.27Å; E434-I453 HydrophobicContact CB-CB 4.28Å; E434-I453 PolarHBondContact N-O 3.29Å; E434-I453 PolarHBondContact O-N 3.5Å
435	M	91.4	Very high	88.8	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	122.6	-179.8	-178.8	172.7	-72.9	0	0	110.1	F289 Q293 Y391 L392 I437 Y451 L452 M479	F289-M435 HydrophobicContact CE1-CE 4.42Å; F289-M435 HydrophobicContact CE1-SD 3.58Å; F289-M435 VanDerWaalsContact CE1-SD 3.58Å; F289-M435 HydrophobicContact CZ-CE 4.49Å; F289-M435 HydrophobicContact CZ-SD 4.19Å; Q293-M435 VanDerWaalsContact CD-SD 3.56Å; Q293-M435 HydrophobicContact CG-SD 3.85Å; Q293-M435 PolarHBondContact NE2-SD 2.76Å; Q293-M435 VanDerWaalsContact NE2-SD 3.39Å; Y391-M435 CarbonylContact C-O 3.51Å; Y391-M435 WeakPolarHBondContact CA-O 3.24Å; Y391-M435 VanDerWaalsContact CD2-O 3.31Å; Y391-M435 WeakPolarHBondContact CD2-O 3.44Å; L392-M435 HydrophobicContact CB-CB 4.31Å; L392-M435 PolarHBondContact N-O 3.44Å; L392-M435 PolarHBondContact O-N 2.66Å; M435-I437 HydrophobicContact CG-CG1 4.11Å; M435-I437 HydrophobicContact SD-CD1 4.46Å; M435-I437 HydrophobicContact SD-CG1 4.35Å; M435-Y451 CarbonylContact C-O 3.59Å; M435-Y451 VanDerWaalsContact CA-O 3.26Å; M435-Y451 WeakPolarHBondContact CA-O 3.36Å; M435-L452 HydrophobicContact CB-CD1 4.45Å; M435-L452 HydrophobicContact CE-CB 4.24Å; M435-L452 HydrophobicContact CE-CD1 4.17Å; M435-L452 HydrophobicContact CE-CD2 4.32Å; M435-L452 HydrophobicContact CE-CG 4.49Å; M435-M479 HydrophobicContact CE-SD 4.47Å
436	L	90.5	Very high	89.4	Confident	14 Å²	14	41.8 Å²	41.8	7%	0.073	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	133.3	166.8	177.6	63.7	0	0	0	108.9	F222 Y389 Y391 Y450 Y451	F222-L436 HydrophobicContact CD1-CD1 3.85Å; F222-L436 HydrophobicContact CD1-CD2 3.83Å; F222-L436 HydrophobicContact CD1-CG 4.47Å; F222-L436 HydrophobicContact CE1-CD1 3.47Å; F222-L436 VanDerWaalsContact CE1-CD1 3.47Å; F222-L436 HydrophobicContact CE1-CD2 3.84Å; F222-L436 HydrophobicContact CE1-CG 4.15Å; F222-L436 HydrophobicContact CZ-CD1 3.93Å; Y389-L436 HydrophobicContact CD1-CD1 4.04Å; Y391-L436 HydrophobicContact CD2-CB 4.31Å; L436-Y450 CarbonylContact O-C 3.6Å; L436-Y450 WeakPolarHBondContact O-CA 3.32Å; L436-Y451 HydrophobicContact CB-CD2 4.26Å; L436-Y451 HydrophobicContact CD2-CD2 3.95Å; L436-Y451 HydrophobicContact CG-CD2 4.16Å; L436-Y451 PolarHBondContact N-O 3.09Å; L436-Y451 PolarHBondContact O-N 3.03Å
437	I	92.6	Very high	90	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	121.7	175.4	-57.8	164.6	0	0	0	106.6	A286 F289 L290 Y389 A390 M435 L448	A286-I437 HydrophobicContact CB-CG2 3.73Å; F289-I437 HydrophobicContact CD1-CD1 3.72Å; F289-I437 HydrophobicContact CD1-CG1 3.9Å; F289-I437 HydrophobicContact CD1-CG2 4.46Å; F289-I437 HydrophobicContact CE1-CD1 4.24Å; F289-I437 HydrophobicContact CE1-CG1 4.16Å; L290-I437 HydrophobicContact CB-CD1 4.09Å; L290-I437 HydrophobicContact CD1-CD1 3.94Å; Y389-I437 CarbonylContact C-O 3.53Å; Y389-I437 VanDerWaalsContact CA-O 3.28Å; Y389-I437 WeakPolarHBondContact CA-O 3.42Å; A390-I437 HydrophobicContact CB-CB 4.31Å; A390-I437 PolarHBondContact N-O 3.32Å; A390-I437 PolarHBondContact O-N 2.93Å; M435-I437 HydrophobicContact CG-CG1 4.11Å; M435-I437 HydrophobicContact SD-CD1 4.46Å; M435-I437 HydrophobicContact SD-CG1 4.35Å; I437-L448 HydrophobicContact CG2-CD1 4.45Å
438	E	91.5	Very high	90.5	Very high	12 Å²	12	38.5 Å²	38.5	6%	0.056	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	120.8	175.5	174.4	-168.9	-160.9	0	0	108.6	R387 Y389 L448 N449	R387-E438 WeakPolarHBondContact CD-OE1 3.3Å; R387-E438 IonicContact CZ-OE1 3.73Å; R387-E438 IonicContact NE-OE1 3.94Å; R387-E438 IonicContact NH1-OE1 2.81Å; R387-E438 PolarHBondContact NH1-OE1 3.24Å; Y389-E438 HydrophobicContact CD1-CB 3.88Å; Y389-E438 HydrophobicContact CD1-CG 4.06Å; Y389-E438 HydrophobicContact CE1-CB 3.74Å; Y389-E438 HydrophobicContact CE1-CG 3.49Å; Y389-E438 VanDerWaalsContact CE1-CG 3.49Å; Y389-E438 PolarHBondContact OH-OE1 3.46Å; E438-L448 CarbonylContact O-C 3.52Å; E438-L448 WeakPolarHBondContact O-CA 3.46Å; E438-L448 WeakPolarHBondContact O-CB 3.38Å; E438-N449 HydrophobicContact CB-CB 4.26Å; E438-N449 PolarHBondContact N-O 3.45Å; E438-N449 PolarHBondContact O-N 3.21Å; E438-N449 PolarHBondContact OE2-ND2 2.97Å
439	S	93.1	Very high	90.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	143.9	172.5	64.4	0	0	0	0	111.5	R387 R388 G441	R387-S439 WeakPolarHBondContact CB-O 3.07Å; R387-S439 VanDerWaalsContact CG-O 3.3Å; R387-S439 WeakPolarHBondContact CG-O 3.32Å; R388-S439 PolarHBondContact N-OG 3.42Å; R388-S439 PolarHBondContact O-N 2.63Å; R388-S439 PolarHBondContact O-OG 2.85Å; S439-G441 VanDerWaalsContact C-N 3.34Å; S439-G441 VanDerWaalsContact CB-O 3.26Å; S439-G441 WeakPolarHBondContact CB-O 3.2Å; S439-G441 PolarHBondContact OG-O 2.94Å
440	H	92.2	Very high	91.3	Very high	66 Å²	66	34.7 Å²	34.7	31%	0.306	17%	0.172	S	C	.	.	S	Bend	trans	-73	-30.1	174.9	-67.7	173.8	0	0	0	112.5	G447 L448 N449	H440-G447 VanDerWaalsContact CG-C 3.43Å; H440-G447 PolarHBondContact N-O 3.48Å; H440-G447 VanDerWaalsContact ND1-CA 3.31Å; H440-G447 WeakPolarHBondContact ND1-CA 3.21Å; H440-L448 VanDerWaalsContact NE2-C 3.28Å; H440-L448 PolarHBondContact NE2-O 2.98Å; H440-N449 PolarHBondContact NE2-OD1 3.32Å
441	G	90.1	Very high	91.7	Very high	5 Å²	5	31.3 Å²	31.3	5%	0.052	16%	0.156	C	C	.	.	S	Bend	trans	-139.6	-136	174.1	0	0	0	0	0	109.9	T386 S439	T386-G441 CarbonylContact C-O 3.43Å; T386-G441 CarbonylContact O-C 3.31Å; T386-G441 VanDerWaalsContact O-C 3.31Å; T386-G441 WeakPolarHBondContact OG1-CA 3.42Å; S439-G441 VanDerWaalsContact C-N 3.34Å; S439-G441 VanDerWaalsContact CB-O 3.26Å; S439-G441 WeakPolarHBondContact CB-O 3.2Å; S439-G441 PolarHBondContact OG-O 2.94Å
442	E	89.1	Confident	91.9	Very high	124 Å²	124	30.7 Å²	30.7	58%	0.579	15%	0.154	S	C	*	.	S	Bend	trans	-58.7	150.5	175.2	-64.4	-172.4	174	0	0	111.8	N444 Q445	E442-N444 PolarHBondContact O-N 2.89Å; E442-N444 VanDerWaalsContact O-N 3.09Å; E442-Q445 HydrophobicContact CB-CB 4.22Å; E442-Q445 VanDerWaalsContact O-CB 3.28Å; E442-Q445 WeakPolarHBondContact O-CB 3.26Å; E442-Q445 PolarHBondContact O-N 3.46Å
443	F	90.6	Very high	92.1	Very high	17 Å²	17	31 Å²	31	8%	0.075	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-27	-172.7	-158.5	-110.5	0	0	0	114.1	A286 S287 L290 I349 R388 A390	A286-F443 HydrophobicContact CB-CD2 3.58Å; A286-F443 HydrophobicContact CB-CE2 3.46Å; A286-F443 VanDerWaalsContact CB-CE2 3.46Å; A286-F443 HydrophobicContact CB-CG 4.17Å; A286-F443 HydrophobicContact CB-CZ 3.94Å; A286-F443 PolarHBondContact N-O 3.3Å; S287-F443 WeakPolarHBondContact CB-O 3.26Å; S287-F443 PolarHBondContact N-O 3.22Å; L290-F443 HydrophobicContact CB-CE1 4.48Å; L290-F443 HydrophobicContact CB-CZ 4.28Å; L290-F443 HydrophobicContact CD2-CE1 3.99Å; L290-F443 HydrophobicContact CD2-CZ 3.86Å; I349-F443 HydrophobicContact CD1-CE1 4.31Å; R388-F443 HydrophobicContact CB-CB 4.49Å; R388-F443 HydrophobicContact CB-CD2 3.97Å; A390-F443 HydrophobicContact CB-CE2 3.88Å; A390-F443 HydrophobicContact CB-CZ 3.67Å
444	N	90.2	Very high	92	Very high	121 Å²	121	32.4 Å²	32.4	65%	0.647	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-7.7	177.2	-62.9	-20.2	0	0	0	113.1	S285 S287 E442	S285-N444 VanDerWaalsContact CB-C 3.46Å; S285-N444 WeakPolarHBondContact CB-O 3.4Å; S287-N444 WeakPolarHBondContact CB-OD1 3.47Å; S287-N444 PolarHBondContact OG-OD1 3.15Å; E442-N444 PolarHBondContact O-N 2.89Å; E442-N444 VanDerWaalsContact O-N 3.09Å
445	Q	92	Very high	91.9	Very high	111 Å²	111	34 Å²	34	52%	0.519	16%	0.164	S	C	.	.	S	Bend	trans	-80.7	148.2	177.2	-170.1	177.8	7.2	0	0	110.4	S285 E442	S285-Q445 VanDerWaalsContact CA-O 3.23Å; S285-Q445 WeakPolarHBondContact CA-O 3.39Å; S285-Q445 WeakPolarHBondContact CB-O 3.39Å; E442-Q445 HydrophobicContact CB-CB 4.22Å; E442-Q445 VanDerWaalsContact O-CB 3.28Å; E442-Q445 WeakPolarHBondContact O-CB 3.26Å; E442-Q445 PolarHBondContact O-N 3.46Å
446	N	95.8	Very high	91.7	Very high	85 Å²	85	35.2 Å²	35.2	46%	0.455	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	142.6	173.7	-74	-3.8	0	0	0	111.6	D283 I284 S285	D283-N446 PolarHBondContact O-ND2 3.07Å; I284-N446 WeakPolarHBondContact O-CA 3.29Å; S285-N446 PolarHBondContact N-OD1 2.88Å
447	G	95	Very high	91.2	Very high	2 Å²	2	36.7 Å²	36.7	2%	0.021	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	112.1	114.3	-176.9	0	0	0	0	0	111.7	F281 I284 H440	F281-G447 CarbonylContact O-C 3.54Å; F281-G447 VanDerWaalsContact O-CA 3.28Å; F281-G447 WeakPolarHBondContact O-CA 3.14Å; I284-G447 PolarHBondContact O-N 2.58Å; H440-G447 VanDerWaalsContact CG-C 3.43Å; H440-G447 PolarHBondContact N-O 3.48Å; H440-G447 VanDerWaalsContact ND1-CA 3.31Å; H440-G447 WeakPolarHBondContact ND1-CA 3.21Å
448	L	94.9	Very high	90.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	150.8	172.8	72	92.9	0	0	0	111.8	Q280 F281 I284 A286 F289 I437 E438 H440 Y450	Q280-L448 WeakPolarHBondContact CA-O 3.27Å; F281-L448 HydrophobicContact CB-CG 4.3Å; F281-L448 HydrophobicContact CD2-CD1 4.1Å; F281-L448 PolarHBondContact N-O 2.9Å; F281-L448 PolarHBondContact O-N 2.73Å; I284-L448 HydrophobicContact CD1-CD2 4.11Å; I284-L448 HydrophobicContact CG1-CD2 4.01Å; A286-L448 HydrophobicContact CB-CB 4.26Å; F289-L448 HydrophobicContact CB-CD2 3.6Å; F289-L448 HydrophobicContact CD1-CD1 4.44Å; F289-L448 HydrophobicContact CD1-CD2 4.45Å; F289-L448 HydrophobicContact CG-CD2 4.01Å; I437-L448 HydrophobicContact CG2-CD1 4.45Å; E438-L448 CarbonylContact O-C 3.52Å; E438-L448 WeakPolarHBondContact O-CA 3.46Å; E438-L448 WeakPolarHBondContact O-CB 3.38Å; H440-L448 VanDerWaalsContact NE2-C 3.28Å; H440-L448 PolarHBondContact NE2-O 2.98Å; L448-Y450 HydrophobicContact CD1-CD1 3.97Å; L448-Y450 HydrophobicContact CD1-CG 4.49Å
449	N	93.8	Very high	89.4	Confident	9 Å²	9	39.9 Å²	39.9	5%	0.048	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	149	158.8	-55.6	-37.9	0	0	0	108.9	G279 E438 H440 Y451	G279-N449 WeakPolarHBondContact O-CA 3.08Å; E438-N449 HydrophobicContact CB-CB 4.26Å; E438-N449 PolarHBondContact N-O 3.45Å; E438-N449 PolarHBondContact O-N 3.21Å; E438-N449 PolarHBondContact OE2-ND2 2.97Å; H440-N449 PolarHBondContact NE2-OD1 3.32Å; N449-Y451 HydrophobicContact CB-CE2 3.81Å
450	Y	93.5	Very high	88.2	Confident	1 Å²	1	40.6 Å²	40.6	0%	0.004	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	147.8	174.1	65.7	-93.6	0	0	0	110.6	S247 M248 V277 C278 G279 F281 L436 L448 M479	S247-Y450 PolarHBondContact O-OH 3.43Å; S247-Y450 VanDerWaalsContact O-OH 3.12Å; M248-Y450 WeakPolarHBondContact CB-OH 3.36Å; V277-Y450 HydrophobicContact CG1-CE2 4.05Å; C278-Y450 VanDerWaalsContact CA-O 3.25Å; C278-Y450 WeakPolarHBondContact CA-O 3.05Å; G279-Y450 PolarHBondContact N-O 3.49Å; G279-Y450 VanDerWaalsContact N-O 3.08Å; G279-Y450 WeakPolarHBondContact O-CD1 3.49Å; G279-Y450 PolarHBondContact O-N 3.41Å; F281-Y450 AromaticContact CD2-CD1 3.8Å; F281-Y450 HydrophobicContact CD2-CD1 3.8Å; F281-Y450 AromaticContact CD2-CE1 3.72Å; F281-Y450 HydrophobicContact CD2-CE1 3.72Å; F281-Y450 HydrophobicContact CE1-CE1 4.32Å; F281-Y450 AromaticContact CE2-CD1 3.62Å; F281-Y450 HydrophobicContact CE2-CD1 3.62Å; F281-Y450 AromaticContact CE2-CE1 3.26Å; F281-Y450 HydrophobicContact CE2-CE1 3.26Å; F281-Y450 HydrophobicContact CG-CE1 4.42Å; F281-Y450 HydrophobicContact CZ-CD1 4.4Å; F281-Y450 AromaticContact CZ-CE1 3.6Å; F281-Y450 HydrophobicContact CZ-CE1 3.6Å; L436-Y450 CarbonylContact O-C 3.6Å; L436-Y450 WeakPolarHBondContact O-CA 3.32Å; L448-Y450 HydrophobicContact CD1-CD1 3.97Å; L448-Y450 HydrophobicContact CD1-CG 4.49Å; Y450-M479 HydrophobicContact CD1-CE 4.41Å; Y450-M479 HydrophobicContact CD2-CE 3.6Å; Y450-M479 HydrophobicContact CE1-CE 4.14Å; Y450-M479 HydrophobicContact CE2-CE 3.29Å; Y450-M479 HydrophobicContact CE2-SD 4.44Å; Y450-M479 HydrophobicContact CG-CE 4.16Å
451	Y	92.3	Very high	86.4	Confident	6 Å²	6	40.4 Å²	40.4	2%	0.024	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	124.5	178.4	-50.2	-88.5	0	0	0	108.4	I227 F234 V277 C278 M435 L436 N449	I227-Y451 HydrophobicContact CB-CE1 4.34Å; I227-Y451 HydrophobicContact CG2-CD1 3.53Å; I227-Y451 HydrophobicContact CG2-CE1 3.1Å; I227-Y451 HydrophobicContact CG2-CE2 4.4Å; I227-Y451 HydrophobicContact CG2-CG 4.35Å; F234-Y451 HydrophobicContact CD1-CD1 4.33Å; F234-Y451 HydrophobicContact CG-CD1 4.4Å; V277-Y451 CarbonylContact O-C 3.59Å; V277-Y451 WeakPolarHBondContact O-CA 3.14Å; C278-Y451 HydrophobicContact CB-CD1 3.42Å; C278-Y451 VanDerWaalsContact CB-CD1 3.42Å; C278-Y451 HydrophobicContact CB-CE1 3.71Å; C278-Y451 HydrophobicContact CB-CG 4.42Å; M435-Y451 CarbonylContact C-O 3.59Å; M435-Y451 VanDerWaalsContact CA-O 3.26Å; M435-Y451 WeakPolarHBondContact CA-O 3.36Å; L436-Y451 HydrophobicContact CB-CD2 4.26Å; L436-Y451 HydrophobicContact CD2-CD2 3.95Å; L436-Y451 HydrophobicContact CG-CD2 4.16Å; L436-Y451 PolarHBondContact N-O 3.09Å; L436-Y451 PolarHBondContact O-N 3.03Å; N449-Y451 HydrophobicContact CB-CE2 3.81Å
452	L	93.6	Very high	84.9	Confident	4 Å²	4	42.2 Å²	42.2	2%	0.021	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	123.8	-176.6	165.4	69.2	0	0	0	109.6	R276 V277 S433 E434 M435 M479	R276-L452 CarbonylContact C-O 3.54Å; R276-L452 WeakPolarHBondContact CA-O 3.25Å; V277-L452 HydrophobicContact CB-CB 4.13Å; V277-L452 HydrophobicContact CB-CD2 4.49Å; V277-L452 HydrophobicContact CG2-CD2 4.2Å; V277-L452 HydrophobicContact CG2-CG 4.48Å; V277-L452 PolarHBondContact N-O 3.28Å; V277-L452 PolarHBondContact O-N 3.33Å; S433-L452 VanDerWaalsContact OG-CD1 3.25Å; S433-L452 WeakPolarHBondContact OG-CD1 3.27Å; E434-L452 CarbonylContact O-C 3.52Å; E434-L452 VanDerWaalsContact O-CA 3.24Å; E434-L452 WeakPolarHBondContact O-CA 3.26Å; E434-L452 WeakPolarHBondContact O-CD1 3.27Å; M435-L452 HydrophobicContact CB-CD1 4.45Å; M435-L452 HydrophobicContact CE-CB 4.24Å; M435-L452 HydrophobicContact CE-CD1 4.17Å; M435-L452 HydrophobicContact CE-CD2 4.32Å; M435-L452 HydrophobicContact CE-CG 4.49Å; L452-M479 HydrophobicContact CD2-SD 4.28Å
453	I	90	Very high	83.4	Confident	29 Å²	29	39.7 Å²	39.7	15%	0.149	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	131.1	164.2	-56.9	174.5	0	0	0	107	F234 E274 Y275 R276 S433 E434	F234-I453 HydrophobicContact CE2-CD1 4.29Å; F234-I453 HydrophobicContact CE2-CG1 3.95Å; F234-I453 HydrophobicContact CZ-CG1 3.88Å; E274-I453 HydrophobicContact CG-CG2 4.07Å; E274-I453 WeakPolarHBondContact OE1-CG2 3.27Å; Y275-I453 CarbonylContact O-C 3.5Å; Y275-I453 WeakPolarHBondContact O-CA 3.26Å; R276-I453 HydrophobicContact CG-CG1 4.16Å; S433-I453 CarbonylContact C-O 3.53Å; S433-I453 VanDerWaalsContact CA-O 3.27Å; S433-I453 WeakPolarHBondContact CA-O 3.19Å; E434-I453 HydrophobicContact CB-CB 4.28Å; E434-I453 PolarHBondContact N-O 3.29Å; E434-I453 PolarHBondContact O-N 3.5Å
454	Y	90.2	Very high	82	Confident	44 Å²	44	41.1 Å²	41.1	17%	0.173	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	132.1	-175.1	176.4	-87	0	0	0	111.6	Y275 Y431 H432 D456	Y275-Y454 WeakPolarHBondContact CB-O 3.46Å; Y275-Y454 HydrophobicContact CD2-CD1 4.23Å; Y275-Y454 PolarHBondContact N-O 2.81Å; Y275-Y454 PolarHBondContact O-N 2.88Å; Y431-Y454 HydrophobicContact CD2-CE2 4.44Å; Y431-Y454 HydrophobicContact CE2-CD2 4.35Å; Y431-Y454 AromaticContact CE2-CE2 3.77Å; Y431-Y454 HydrophobicContact CE2-CE2 3.77Å; H432-Y454 WeakPolarHBondContact O-CA 3.31Å; Y454-D456 WeakPolarHBondContact CE1-OD1 3.28Å; Y454-D456 PolarHBondContact OH-OD1 3.02Å; Y454-D456 VanDerWaalsContact OH-OD1 3.08Å; Y454-D456 PolarHBondContact OH-OD2 3.34Å; Y454-D456 VanDerWaalsContact OH-OD2 3.08Å
455	Y	88.2	Confident	80.5	Confident	62 Å²	62	40 Å²	40	24%	0.243	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	150	161.9	64.4	-95.5	0	0	0	111.5	L255 Y273 E274 H432	L255-Y455 HydrophobicContact CD2-CD2 3.8Å; L255-Y455 HydrophobicContact CD2-CE2 4.03Å; L255-Y455 HydrophobicContact CD2-CG 4.08Å; Y273-Y455 WeakPolarHBondContact O-CB 3.25Å; E274-Y455 HydrophobicContact CG-CD1 4.31Å; H432-Y455 HydrophobicContact CB-CD1 3.79Å; H432-Y455 HydrophobicContact CB-CD2 4.05Å; H432-Y455 HydrophobicContact CB-CE1 3.3Å; H432-Y455 HydrophobicContact CB-CE2 3.59Å; H432-Y455 HydrophobicContact CB-CG 4.14Å; H432-Y455 WeakPolarHBondContact CB-OH 3.42Å; H432-Y455 AromaticContact CD2-CD1 4Å; H432-Y455 AromaticContact CD2-CE1 3.46Å; H432-Y455 VanDerWaalsContact CD2-CE1 3.46Å; H432-Y455 WeakPolarHBondContact CD2-CE1 3.27Å; H432-Y455 AromaticContact CG-CE1 3.41Å; H432-Y455 VanDerWaalsContact CG-CE1 3.41Å; H432-Y455 AromaticContact CG-CZ 3.6Å; H432-Y455 PolarHBondContact N-O 2.79Å; H432-Y455 PolarHBondContact O-N 2.77Å
456	D	85.8	Confident	78.9	Confident	28 Å²	28	38.4 Å²	38.4	15%	0.15	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	160.2	174.1	67.3	-38.4	0	0	0	111.1	Y341 E430 Y431 Y454 P458	Y341-D456 HydrophobicContact CE1-CB 4.3Å; Y341-D456 PolarHBondContact OH-OD2 3.38Å; E430-D456 WeakPolarHBondContact O-CA 3.05Å; Y431-D456 HydrophobicContact CD2-CB 4.07Å; Y454-D456 WeakPolarHBondContact CE1-OD1 3.28Å; Y454-D456 PolarHBondContact OH-OD1 3.02Å; Y454-D456 VanDerWaalsContact OH-OD1 3.08Å; Y454-D456 PolarHBondContact OH-OD2 3.34Å; Y454-D456 VanDerWaalsContact OH-OD2 3.08Å; D456-P458 VanDerWaalsContact C-CD 3.48Å; D456-P458 VanDerWaalsContact O-CD 3.29Å; D456-P458 WeakPolarHBondContact O-CD 3.45Å
457	D	80.6	Confident	77.5	Confident	45 Å²	45	35.9 Å²	35.9	24%	0.241	22%	0.215	C	C	.	.			trans	-109.8	87.4	164.7	-171.3	-7.1	0	0	0	109.9	K272 V428 E430 C459	K272-D457 WeakPolarHBondContact CE-OD2 3.21Å; K272-D457 IonicContact NZ-OD2 2.64Å; K272-D457 PolarHBondContact NZ-OD2 2.94Å; V428-D457 WeakPolarHBondContact CG1-O 3.39Å; E430-D457 HydrophobicContact CB-CB 4.34Å; E430-D457 PolarHBondContact O-N 2.98Å; D457-C459 PolarHBondContact O-N 3.25Å; D457-C459 PolarHBondContact O-SG 2.9Å; D457-C459 PolarHBondContact OD1-N 3.42Å
458	P	70.5	Confident	76.2	Confident	18 Å²	18	38.5 Å²	38.5	12%	0.117	23%	0.226	C	C	.	.			trans	-70.5	5.6	-179.5	27.9	-33.4	0	0	0	113.2	F332 R339 D456 L460	F332-P458 HydrophobicContact CE1-CB 4.1Å; F332-P458 HydrophobicContact CZ-CB 4.05Å; R339-P458 PolarHBondContact NE-O 3.46Å; R339-P458 PolarHBondContact NH2-O 2.9Å; D456-P458 VanDerWaalsContact C-CD 3.48Å; D456-P458 VanDerWaalsContact O-CD 3.29Å; D456-P458 WeakPolarHBondContact O-CD 3.45Å; P458-L460 VanDerWaalsContact C-N 3.33Å; P458-L460 HydrophobicContact CB-CD1 4.46Å; P458-L460 HydrophobicContact CB-CG 4.11Å; P458-L460 HydrophobicContact CG-CD1 3.86Å; P458-L460 HydrophobicContact CG-CG 3.85Å; P458-L460 PolarHBondContact O-N 2.77Å
459	C	75	Confident	74.9	Confident	60 Å²	60	43.3 Å²	43.3	41%	0.405	25%	0.251	S	S	.	.			trans	53.8	48.8	-180	-61	0	0	0	0	111.5	R339 V426 D457	R339-C459 PolarHBondContact NH2-O 3.42Å; V426-C459 HydrophobicContact CG1-CB 3.85Å; D457-C459 PolarHBondContact O-N 3.25Å; D457-C459 PolarHBondContact O-SG 2.9Å; D457-C459 PolarHBondContact OD1-N 3.42Å
460	L	68.4	Low	73.8	Confident	16 Å²	16	45.3 Å²	45.3	8%	0.084	26%	0.259	C	S	.	.			trans	-79.7	137.9	179.3	-68.2	176.5	0	0	0	110.5	M336 P458 I462 I467	M336-L460 HydrophobicContact CE-CD2 3.95Å; M336-L460 HydrophobicContact CG-CD2 4.1Å; M336-L460 HydrophobicContact SD-CD2 3.4Å; M336-L460 WeakPolarHBondContact SD-CD2 3.4Å; P458-L460 VanDerWaalsContact C-N 3.33Å; P458-L460 HydrophobicContact CB-CD1 4.46Å; P458-L460 HydrophobicContact CB-CG 4.11Å; P458-L460 HydrophobicContact CG-CD1 3.86Å; P458-L460 HydrophobicContact CG-CG 3.85Å; P458-L460 PolarHBondContact O-N 2.77Å; L460-I462 HydrophobicContact CB-CG1 4.07Å; L460-I462 PolarHBondContact O-N 3.46Å; L460-I467 HydrophobicContact CB-CD1 4.02Å; L460-I467 HydrophobicContact CD1-CD1 3.62Å; L460-I467 HydrophobicContact CD1-CG1 4.01Å; L460-I467 HydrophobicContact CG-CD1 4.4Å
461	P	54.8	Low	73.2	Confident	62 Å²	62	46.3 Å²	46.3	40%	0.403	27%	0.266	S	S	.	.	S	Bend	trans	-77.6	0	177.6	32.5	-35.8	0	0	0	112.9	I97 A100 Q101	I97-P461 HydrophobicContact CG2-CG 3.86Å; A100-P461 HydrophobicContact CB-CB 4.26Å; Q101-P461 HydrophobicContact CG-CG 4.19Å
462	I	59.1	Low	72.6	Confident	43 Å²	43	46.7 Å²	46.7	22%	0.221	27%	0.269	C	S	.	.			trans	-107.9	133.2	-177.6	53.5	167.8	0	0	0	109.9	I97 M336 L460 P466 I467	I97-I462 HydrophobicContact CD1-CG2 4.21Å; I97-I462 HydrophobicContact CG1-CG2 4.34Å; M336-I462 HydrophobicContact CE-CD1 3.96Å; L460-I462 HydrophobicContact CB-CG1 4.07Å; L460-I462 PolarHBondContact O-N 3.46Å; I462-P466 HydrophobicContact CD1-CB 4.49Å; I462-I467 WeakPolarHBondContact O-CD1 3.37Å
463	N	57.4	Low	72	Confident	71 Å²	71	54 Å²	54	38%	0.38	30%	0.297	S	S	.	.			trans	-115.1	157.7	175	-65.1	-10.8	0	0	0	110.4	S269 N270	S269-N463 PolarHBondContact O-ND2 2.79Å; S269-N463 PolarHBondContact OG-ND2 3.47Å; N270-N463 PolarHBondContact OD1-ND2 3.44Å; N270-N463 PolarHBondContact OD1-OD1 2.88Å
464	G	61.1	Low	71.8	Confident	47 Å²	47	54.8 Å²	54.8	49%	0.485	31%	0.307	S	S	.	.	S	Bend	trans	89	-147.9	169.7	0	0	0	0	0	115.3	I467	G464-I467 WeakPolarHBondContact O-CG2 3.32Å; G464-I467 PolarHBondContact O-N 2.75Å; G464-I467 VanDerWaalsContact O-N 3.11Å
465	S	58.2	Low	71.8	Confident	96 Å²	96	53.2 Å²	53.2	67%	0.671	30%	0.301	S	S	*	.	H	α-helix	trans	-55.5	-40.6	-168	-174.1	0	0	0	0	115.6	I467 K468 L469	S465-I467 PolarHBondContact O-N 3.22Å; S465-K468 VanDerWaalsContact O-CB 3.23Å; S465-K468 WeakPolarHBondContact O-CB 3.09Å; S465-K468 PolarHBondContact O-N 3Å; S465-K468 VanDerWaalsContact O-N 3.08Å; S465-L469 PolarHBondContact O-N 3.06Å
466	P	59.7	Low	71.9	Confident	79 Å²	79	53.3 Å²	53.3	51%	0.513	30%	0.304	S	S	.	.	H	α-helix	trans	-60.4	-31.4	178.3	-25.4	36.1	0	0	0	114	I462 K468 L469 F470	I462-P466 HydrophobicContact CD1-CB 4.49Å; P466-K468 VanDerWaalsContact C-N 3.32Å; P466-L469 PolarHBondContact O-N 3.3Å; P466-F470 PolarHBondContact O-N 2.75Å
467	I	64.9	Low	72	Confident	32 Å²	32	55.9 Å²	55.9	16%	0.164	32%	0.315	C	S	.	.	H	α-helix	trans	-70.9	-30.8	178.5	-154.4	152.5	0	0	0	111.8	L460 I462 G464 S465 S471	L460-I467 HydrophobicContact CB-CD1 4.02Å; L460-I467 HydrophobicContact CD1-CD1 3.62Å; L460-I467 HydrophobicContact CD1-CG1 4.01Å; L460-I467 HydrophobicContact CG-CD1 4.4Å; I462-I467 WeakPolarHBondContact O-CD1 3.37Å; G464-I467 WeakPolarHBondContact O-CG2 3.32Å; G464-I467 PolarHBondContact O-N 2.75Å; G464-I467 VanDerWaalsContact O-N 3.11Å; S465-I467 PolarHBondContact O-N 3.22Å; I467-S471 WeakPolarHBondContact O-CB 3.23Å; I467-S471 PolarHBondContact O-N 3.34Å; I467-S471 PolarHBondContact O-OG 2.72Å
468	K	67.9	Low	72.6	Confident	56 Å²	56	56.5 Å²	56.5	24%	0.243	32%	0.316	C	S	.	.	H	α-helix	trans	-58.9	-54.3	171.9	-177.7	-173.8	175.6	167.2	0	109.9	E240 V242 R252 S465 P466 F470 S471 V472	E240-K468 IonicContact OE1-NZ 3.35Å; E240-K468 PolarHBondContact OE1-NZ 3.34Å; V242-K468 HydrophobicContact CG1-CD 4.46Å; V242-K468 VanDerWaalsContact CG1-CE 3.4Å; R252-K468 VanDerWaalsContact NH1-CB 3.35Å; S465-K468 VanDerWaalsContact O-CB 3.23Å; S465-K468 WeakPolarHBondContact O-CB 3.09Å; S465-K468 PolarHBondContact O-N 3Å; S465-K468 VanDerWaalsContact O-N 3.08Å; P466-K468 VanDerWaalsContact C-N 3.32Å; K468-F470 VanDerWaalsContact C-N 3.31Å; K468-F470 PolarHBondContact O-N 2.77Å; K468-S471 PolarHBondContact O-N 3.47Å; K468-V472 WeakPolarHBondContact O-CG2 3.18Å; K468-V472 PolarHBondContact O-N 2.63Å; K468-V472 VanDerWaalsContact O-N 3.12Å
469	L	67.4	Low	73.8	Confident	101 Å²	101	55.8 Å²	55.8	53%	0.529	31%	0.311	S	S	.	.	H	α-helix	trans	-63.1	-39.8	-176.8	-177.2	64.8	0	0	0	111.8	S465 P466 R473	S465-L469 PolarHBondContact O-N 3.06Å; P466-L469 PolarHBondContact O-N 3.3Å; L469-R473 WeakPolarHBondContact O-CG 3.1Å; L469-R473 PolarHBondContact O-N 3.02Å
470	F	72.2	Confident	74.7	Confident	52 Å²	52	55.8 Å²	55.8	23%	0.228	31%	0.309	C	S	.	.	H	α-helix	trans	-63.1	-49.2	177.5	-176.4	-93.3	0	0	0	111.9	F332 P333 M336 P466 K468 V472 R473 A474	F332-F470 HydrophobicContact CD1-CZ 4.16Å; F332-F470 HydrophobicContact CE1-CE1 4.08Å; F332-F470 HydrophobicContact CE1-CZ 4.19Å; P333-F470 HydrophobicContact CB-CE2 4.49Å; P333-F470 HydrophobicContact CG-CE2 3.83Å; P333-F470 HydrophobicContact CG-CZ 4.13Å; M336-F470 HydrophobicContact CE-CD2 4.49Å; M336-F470 HydrophobicContact CE-CE2 4.35Å; M336-F470 HydrophobicContact SD-CE2 4.16Å; M336-F470 HydrophobicContact SD-CZ 4.09Å; P466-F470 PolarHBondContact O-N 2.75Å; K468-F470 VanDerWaalsContact C-N 3.31Å; K468-F470 PolarHBondContact O-N 2.77Å; F470-V472 PolarHBondContact O-N 3.27Å; F470-R473 PolarHBondContact O-N 2.78Å; F470-A474 WeakPolarHBondContact O-CB 3.32Å; F470-A474 PolarHBondContact O-N 3.44Å
471	S	79.4	Confident	76	Confident	22 Å²	22	56.7 Å²	56.7	15%	0.154	31%	0.313	C	S	.	.	H	α-helix	trans	-65.2	-43.1	-175.7	-51.1	0	0	0	0	111.9	Y275 I467 K468 R473 A474 I475	Y275-S471 VanDerWaalsContact OH-CB 3.26Å; Y275-S471 WeakPolarHBondContact OH-CB 3.19Å; Y275-S471 PolarHBondContact OH-OG 2.76Å; I467-S471 WeakPolarHBondContact O-CB 3.23Å; I467-S471 PolarHBondContact O-N 3.34Å; I467-S471 PolarHBondContact O-OG 2.72Å; K468-S471 PolarHBondContact O-N 3.47Å; S471-R473 PolarHBondContact O-N 3.12Å; S471-A474 PolarHBondContact O-N 3.02Å; S471-I475 VanDerWaalsContact O-CG1 3.27Å; S471-I475 WeakPolarHBondContact O-CG1 3.35Å; S471-I475 PolarHBondContact O-N 2.76Å
472	V	79.9	Confident	78	Confident	13 Å²	13	53.8 Å²	53.8	8%	0.079	29%	0.294	C	S	.	.	H	α-helix	trans	-60.3	-46.1	177.2	171.1	0	0	0	0	111.5	V242 Y243 K468 F470 A474 I475 E476	V242-V472 HydrophobicContact CB-CG2 3.94Å; V242-V472 HydrophobicContact CG2-CG2 3.55Å; Y243-V472 HydrophobicContact CD2-CG1 3.6Å; Y243-V472 HydrophobicContact CG-CG1 4.03Å; K468-V472 WeakPolarHBondContact O-CG2 3.18Å; K468-V472 PolarHBondContact O-N 2.63Å; K468-V472 VanDerWaalsContact O-N 3.12Å; F470-V472 PolarHBondContact O-N 3.27Å; V472-A474 VanDerWaalsContact C-N 3.34Å; V472-A474 PolarHBondContact O-N 3.26Å; V472-I475 PolarHBondContact O-N 3.1Å; V472-E476 WeakPolarHBondContact O-CB 3.16Å; V472-E476 PolarHBondContact O-N 2.81Å
473	R	81.8	Confident	79.8	Confident	159 Å²	159	53.4 Å²	53.4	60%	0.6	29%	0.291	S	S	*	.	H	α-helix	trans	-63.8	-39.5	177.6	-75.7	-178.5	170	-172.5	-2.7	112.4	L469 F470 S471 E476 E477	L469-R473 WeakPolarHBondContact O-CG 3.1Å; L469-R473 PolarHBondContact O-N 3.02Å; F470-R473 PolarHBondContact O-N 2.78Å; S471-R473 PolarHBondContact O-N 3.12Å; R473-E476 PolarHBondContact O-N 3.48Å; R473-E477 VanDerWaalsContact O-CB 3.32Å; R473-E477 WeakPolarHBondContact O-CB 3.4Å; R473-E477 PolarHBondContact O-N 3.42Å
474	A	86.3	Confident	81.8	Confident	44 Å²	44	56.3 Å²	56.3	36%	0.364	30%	0.3	S	S	.	.	H	α-helix	trans	-63.9	-44.5	178.1	0	0	0	0	0	111.6	F470 S471 V472 F478	F470-A474 WeakPolarHBondContact O-CB 3.32Å; F470-A474 PolarHBondContact O-N 3.44Å; S471-A474 PolarHBondContact O-N 3.02Å; V472-A474 VanDerWaalsContact C-N 3.34Å; V472-A474 PolarHBondContact O-N 3.26Å; A474-F478 VanDerWaalsContact O-CB 3.28Å; A474-F478 WeakPolarHBondContact O-CB 3.45Å; A474-F478 PolarHBondContact O-N 3.47Å
475	I	89.3	Confident	83.6	Confident	11 Å²	11	54.2 Å²	54.2	6%	0.056	28%	0.279	C	S	.	.	H	α-helix	trans	-63.9	-46.6	176.3	-63.3	167.7	0	0	0	110.4	M248 V250 Y275 V277 S471 V472 F478 M479	M248-I475 HydrophobicContact CE-CB 4.41Å; M248-I475 HydrophobicContact CE-CG2 3.56Å; V250-I475 HydrophobicContact CG1-CD1 4.28Å; V250-I475 HydrophobicContact CG2-CG2 4.39Å; Y275-I475 HydrophobicContact CD1-CD1 3.76Å; Y275-I475 HydrophobicContact CE1-CD1 4.4Å; Y275-I475 HydrophobicContact CG-CD1 3.89Å; V277-I475 HydrophobicContact CG1-CG2 4.46Å; V277-I475 HydrophobicContact CG2-CG2 3.62Å; S471-I475 VanDerWaalsContact O-CG1 3.27Å; S471-I475 WeakPolarHBondContact O-CG1 3.35Å; S471-I475 PolarHBondContact O-N 2.76Å; V472-I475 PolarHBondContact O-N 3.1Å; I475-F478 PolarHBondContact O-N 2.85Å; I475-M479 HydrophobicContact CG2-CG 4.39Å; I475-M479 WeakPolarHBondContact O-CG 3.46Å; I475-M479 PolarHBondContact O-N 3.45Å
476	E	89.6	Confident	85.4	Confident	65 Å²	65	49.7 Å²	49.7	30%	0.304	25%	0.247	S	C	.	.	H	α-helix	trans	-59.1	-48.2	177.7	179.2	-176.2	-164.1	0	0	112.1	Y243 M248 V472 R473 F478 M479 T480	Y243-E476 VanDerWaalsContact CE2-CD 3.49Å; Y243-E476 HydrophobicContact CE2-CG 4.25Å; Y243-E476 WeakPolarHBondContact CE2-OE2 3.42Å; Y243-E476 PolarHBondContact OH-OE1 2.81Å; M248-E476 HydrophobicContact CE-CB 4.4Å; V472-E476 WeakPolarHBondContact O-CB 3.16Å; V472-E476 PolarHBondContact O-N 2.81Å; R473-E476 PolarHBondContact O-N 3.48Å; E476-F478 VanDerWaalsContact C-N 3.33Å; E476-F478 PolarHBondContact O-N 3.22Å; E476-M479 PolarHBondContact O-N 2.8Å; E476-T480 WeakPolarHBondContact O-CB 3.22Å; E476-T480 PolarHBondContact O-N 3.07Å; E476-T480 PolarHBondContact O-OG1 3.29Å
477	E	89.7	Confident	87.2	Confident	82 Å²	82	47.7 Å²	47.7	38%	0.383	23%	0.231	S	C	.	.	H	α-helix	trans	-61.3	-44	178	-173.2	-175.1	157.5	0	0	110.8	K305 R473 T480 K481	K305-E477 VanDerWaalsContact CE-OE1 3.32Å; K305-E477 WeakPolarHBondContact CE-OE1 3.32Å; K305-E477 IonicContact NZ-OE1 3.2Å; K305-E477 PolarHBondContact NZ-OE1 2.74Å; R473-E477 VanDerWaalsContact O-CB 3.32Å; R473-E477 WeakPolarHBondContact O-CB 3.4Å; R473-E477 PolarHBondContact O-N 3.42Å; E477-T480 PolarHBondContact O-N 3.46Å; E477-K481 HydrophobicContact CG-CD 4.24Å; E477-K481 VanDerWaalsContact O-CG 3.32Å; E477-K481 WeakPolarHBondContact O-CG 3.18Å; E477-K481 PolarHBondContact O-N 3.42Å; E477-K481 VanDerWaalsContact OE1-CE 3.32Å; E477-K481 WeakPolarHBondContact OE1-CE 3.26Å; E477-K481 IonicContact OE1-NZ 2.66Å; E477-K481 PolarHBondContact OE1-NZ 3.11Å
478	F	92.6	Very high	88.7	Confident	58 Å²	58	51 Å²	51	25%	0.254	25%	0.246	S	C	.	.	H	α-helix	trans	-61.6	-51.6	178.7	174.8	-114.1	0	0	0	112	A474 I475 E476 T480 K481 L482	A474-F478 VanDerWaalsContact O-CB 3.28Å; A474-F478 WeakPolarHBondContact O-CB 3.45Å; A474-F478 PolarHBondContact O-N 3.47Å; I475-F478 PolarHBondContact O-N 2.85Å; E476-F478 VanDerWaalsContact C-N 3.33Å; E476-F478 PolarHBondContact O-N 3.22Å; F478-T480 VanDerWaalsContact C-N 3.32Å; F478-T480 PolarHBondContact O-N 2.75Å; F478-K481 PolarHBondContact O-N 3.43Å; F478-L482 HydrophobicContact CD1-CD1 3.76Å; F478-L482 HydrophobicContact CD2-CD1 4.34Å; F478-L482 HydrophobicContact CD2-CG 4.36Å; F478-L482 HydrophobicContact CE1-CD1 3.3Å; F478-L482 HydrophobicContact CE1-CG 4.25Å; F478-L482 HydrophobicContact CE2-CD1 3.92Å; F478-L482 HydrophobicContact CE2-CD2 4.25Å; F478-L482 HydrophobicContact CE2-CG 3.98Å; F478-L482 HydrophobicContact CG-CD1 4.27Å; F478-L482 HydrophobicContact CZ-CD1 3.4Å; F478-L482 VanDerWaalsContact CZ-CD1 3.4Å; F478-L482 HydrophobicContact CZ-CD2 4.19Å; F478-L482 HydrophobicContact CZ-CG 3.95Å; F478-L482 WeakPolarHBondContact O-CG 3.33Å; F478-L482 PolarHBondContact O-N 2.78Å
479	M	94.5	Very high	89.9	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-63.2	-38.3	179.7	-68	-54.7	-55.2	0	0	112.2	M248 F281 F289 M435 Y450 L452 I475 E476 K481 L482 H483	M248-M479 HydrophobicContact CE-CG 4.28Å; M248-M479 HydrophobicContact SD-CB 3.83Å; M248-M479 HydrophobicContact SD-CG 3.98Å; F281-M479 HydrophobicContact CE2-CE 4.39Å; F289-M479 HydrophobicContact CE2-CE 4.47Å; F289-M479 HydrophobicContact CZ-CE 3.89Å; M435-M479 HydrophobicContact CE-SD 4.47Å; Y450-M479 HydrophobicContact CD1-CE 4.41Å; Y450-M479 HydrophobicContact CD2-CE 3.6Å; Y450-M479 HydrophobicContact CE1-CE 4.14Å; Y450-M479 HydrophobicContact CE2-CE 3.29Å; Y450-M479 HydrophobicContact CE2-SD 4.44Å; Y450-M479 HydrophobicContact CG-CE 4.16Å; L452-M479 HydrophobicContact CD2-SD 4.28Å; I475-M479 HydrophobicContact CG2-CG 4.39Å; I475-M479 WeakPolarHBondContact O-CG 3.46Å; I475-M479 PolarHBondContact O-N 3.45Å; E476-M479 PolarHBondContact O-N 2.8Å; M479-K481 PolarHBondContact O-N 3.33Å; M479-L482 HydrophobicContact CE-CD1 4.27Å; M479-L482 PolarHBondContact O-N 2.81Å; M479-L482 HydrophobicContact SD-CD1 3.75Å; M479-H483 PolarHBondContact O-N 2.84Å
480	T	94.6	Very high	91	Very high	61 Å²	61	46.7 Å²	46.7	37%	0.374	23%	0.23	S	C	.	.	H	α-helix	trans	-63.4	-42	175.4	-60.2	0	0	0	0	111.8	E476 E477 F478 K484	E476-T480 WeakPolarHBondContact O-CB 3.22Å; E476-T480 PolarHBondContact O-N 3.07Å; E476-T480 PolarHBondContact O-OG1 3.29Å; E477-T480 PolarHBondContact O-N 3.46Å; F478-T480 VanDerWaalsContact C-N 3.32Å; F478-T480 PolarHBondContact O-N 2.75Å; T480-K484 HydrophobicContact CG2-CD 4.34Å; T480-K484 WeakPolarHBondContact O-CG 3.42Å; T480-K484 PolarHBondContact O-N 3.1Å
481	K	96.3	Very high	91.9	Very high	35 Å²	35	50.8 Å²	50.8	15%	0.152	25%	0.249	C	C	.	.	H	α-helix	trans	-70.7	-38	178.3	-71.3	172.4	166.3	172.2	0	112.2	W302 D303 D304 E477 F478 M479 K484 A485	W302-K481 HydrophobicContact CE3-CB 3.9Å; W302-K481 HydrophobicContact CH2-CB 4.49Å; W302-K481 HydrophobicContact CZ3-CB 3.43Å; W302-K481 VanDerWaalsContact CZ3-CB 3.43Å; D303-K481 IonicContact OD1-NZ 3.54Å; D303-K481 PolarHBondContact OD1-NZ 2.98Å; D304-K481 VanDerWaalsContact OD1-CE 3.29Å; D304-K481 WeakPolarHBondContact OD1-CE 3.47Å; D304-K481 IonicContact OD1-NZ 2.93Å; D304-K481 PolarHBondContact OD1-NZ 2.88Å; E477-K481 HydrophobicContact CG-CD 4.24Å; E477-K481 VanDerWaalsContact O-CG 3.32Å; E477-K481 WeakPolarHBondContact O-CG 3.18Å; E477-K481 PolarHBondContact O-N 3.42Å; E477-K481 VanDerWaalsContact OE1-CE 3.32Å; E477-K481 WeakPolarHBondContact OE1-CE 3.26Å; E477-K481 IonicContact OE1-NZ 2.66Å; E477-K481 PolarHBondContact OE1-NZ 3.11Å; F478-K481 PolarHBondContact O-N 3.43Å; M479-K481 PolarHBondContact O-N 3.33Å; K481-K484 PolarHBondContact O-N 3.47Å; K481-A485 WeakPolarHBondContact O-CB 3.47Å; K481-A485 PolarHBondContact O-N 3.48Å
482	L	96.3	Very high	92.5	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-56.9	-49.6	172.3	-78.7	170	0	0	0	111.3	F289 V292 W302 F478 M479 A485 A486	F289-L482 HydrophobicContact CE2-CB 3.93Å; F289-L482 HydrophobicContact CZ-CD1 4.32Å; V292-L482 HydrophobicContact CG1-CD2 3.54Å; W302-L482 HydrophobicContact CH2-CB 4.48Å; W302-L482 HydrophobicContact CH2-CD2 3.48Å; W302-L482 VanDerWaalsContact CH2-CD2 3.48Å; W302-L482 HydrophobicContact CH2-CG 3.89Å; W302-L482 HydrophobicContact CZ2-CD2 3.75Å; F478-L482 HydrophobicContact CD1-CD1 3.76Å; F478-L482 HydrophobicContact CD2-CD1 4.34Å; F478-L482 HydrophobicContact CD2-CG 4.36Å; F478-L482 HydrophobicContact CE1-CD1 3.3Å; F478-L482 HydrophobicContact CE1-CG 4.25Å; F478-L482 HydrophobicContact CE2-CD1 3.92Å; F478-L482 HydrophobicContact CE2-CD2 4.25Å; F478-L482 HydrophobicContact CE2-CG 3.98Å; F478-L482 HydrophobicContact CG-CD1 4.27Å; F478-L482 HydrophobicContact CZ-CD1 3.4Å; F478-L482 VanDerWaalsContact CZ-CD1 3.4Å; F478-L482 HydrophobicContact CZ-CD2 4.19Å; F478-L482 HydrophobicContact CZ-CG 3.95Å; F478-L482 WeakPolarHBondContact O-CG 3.33Å; F478-L482 PolarHBondContact O-N 2.78Å; M479-L482 HydrophobicContact CE-CD1 4.27Å; M479-L482 PolarHBondContact O-N 2.81Å; M479-L482 HydrophobicContact SD-CD1 3.75Å; L482-A485 PolarHBondContact O-N 3.12Å; L482-A486 WeakPolarHBondContact O-CB 3.38Å; L482-A486 PolarHBondContact O-N 3.37Å
483	H	97.7	Very high	93.1	Very high	35 Å²	35	56.1 Å²	56.1	16%	0.162	29%	0.287	C	S	.	.	H	α-helix	trans	-58.2	-49.9	176.6	174.9	-105	0	0	0	111.7	F281 D283 M479 A485 A486 L487	F281-H483 HydrophobicContact CD1-CB 4.38Å; F281-H483 AromaticContact CD1-CD2 3.2Å; F281-H483 WeakPolarHBondContact CD1-CD2 3.48Å; F281-H483 AromaticContact CD1-CG 3.87Å; F281-H483 AromaticContact CD1-NE2 3.76Å; F281-H483 HydrophobicContact CE1-CB 3.76Å; F281-H483 AromaticContact CE1-CD2 3.48Å; F281-H483 VanDerWaalsContact CE1-CD2 3.48Å; F281-H483 WeakPolarHBondContact CE1-CD2 3.13Å; F281-H483 AromaticContact CE1-CG 3.64Å; F281-H483 HydrophobicContact CE2-CB 4.19Å; F281-H483 AromaticContact CG-CD2 3.57Å; F281-H483 HydrophobicContact CZ-CB 3.66Å; D283-H483 VanDerWaalsContact CG-NE2 3.32Å; D283-H483 IonicContact OD1-CD2 2.86Å; D283-H483 IonicContact OD1-CE1 3.05Å; D283-H483 IonicContact OD1-NE2 3.28Å; D283-H483 PolarHBondContact OD1-NE2 3.08Å; D283-H483 IonicContact OD2-CE1 3.15Å; D283-H483 PolarHBondContact OD2-CE1 3.4Å; D283-H483 VanDerWaalsContact OD2-CE1 3.29Å; D283-H483 IonicContact OD2-NE2 2.61Å; D283-H483 PolarHBondContact OD2-NE2 2.95Å; M479-H483 PolarHBondContact O-N 2.84Å; H483-A485 VanDerWaalsContact C-N 3.33Å; H483-A485 PolarHBondContact O-N 3.46Å; H483-A486 PolarHBondContact O-N 3.28Å; H483-L487 WeakPolarHBondContact O-CB 3.36Å; H483-L487 PolarHBondContact O-N 3.33Å
484	K	97.9	Very high	93.6	Very high	131 Å²	131	50.9 Å²	50.9	57%	0.57	27%	0.271	S	S	*	.	H	α-helix	trans	-57.7	-44	177.3	-75.5	177.1	-179.3	178.1	0	112.2	T480 K481 L487 Q488	T480-K484 HydrophobicContact CG2-CD 4.34Å; T480-K484 WeakPolarHBondContact O-CG 3.42Å; T480-K484 PolarHBondContact O-N 3.1Å; K481-K484 PolarHBondContact O-N 3.47Å; K484-L487 PolarHBondContact O-N 2.82Å; K484-Q488 VanDerWaalsContact O-CG 3.29Å; K484-Q488 WeakPolarHBondContact O-CG 3.34Å; K484-Q488 PolarHBondContact O-N 2.83Å
485	A	98.5	Very high	93.9	Very high	4 Å²	4	51.2 Å²	51.2	3%	0.033	27%	0.269	C	S	.	.	H	α-helix	trans	-64.3	-43	177.9	0	0	0	0	0	111.5	V292 Y298 W302 K481 L482 H483 L487 Q488 L489	V292-A485 HydrophobicContact CG1-CB 3.83Å; V292-A485 HydrophobicContact CG2-CB 4.06Å; Y298-A485 HydrophobicContact CE1-CB 4.01Å; Y298-A485 PolarHBondContact OH-O 3.35Å; Y298-A485 VanDerWaalsContact OH-O 3.08Å; W302-A485 HydrophobicContact CB-CB 4.29Å; W302-A485 HydrophobicContact CD2-CB 3.57Å; W302-A485 HydrophobicContact CE3-CB 4.14Å; W302-A485 HydrophobicContact CG-CB 3.64Å; W302-A485 HydrophobicContact CZ2-CB 4.21Å; K481-A485 WeakPolarHBondContact O-CB 3.47Å; K481-A485 PolarHBondContact O-N 3.48Å; L482-A485 PolarHBondContact O-N 3.12Å; H483-A485 VanDerWaalsContact C-N 3.33Å; H483-A485 PolarHBondContact O-N 3.46Å; A485-L487 VanDerWaalsContact C-N 3.32Å; A485-L487 PolarHBondContact O-N 3.39Å; A485-Q488 PolarHBondContact O-N 3.5Å; A485-L489 PolarHBondContact O-N 3.14Å
486	A	98.1	Very high	94.1	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-65.1	-38.4	177.8	0	0	0	0	0	111.5	I284 F289 V292 L482 H483 L489 C490	I284-A486 HydrophobicContact CB-CB 4.36Å; I284-A486 HydrophobicContact CD1-CB 3.59Å; I284-A486 HydrophobicContact CG2-CB 4.24Å; F289-A486 HydrophobicContact CD2-CB 4.33Å; V292-A486 HydrophobicContact CG2-CB 3.91Å; L482-A486 WeakPolarHBondContact O-CB 3.38Å; L482-A486 PolarHBondContact O-N 3.37Å; H483-A486 PolarHBondContact O-N 3.28Å; A486-L489 WeakPolarHBondContact O-CB 3.43Å; A486-L489 PolarHBondContact O-N 2.93Å; A486-C490 PolarHBondContact O-N 3.31Å; A486-C490 PolarHBondContact O-SG 2.91Å; A486-C490 VanDerWaalsContact O-SG 3.33Å
487	L	97.2	Very high	94.2	Very high	37 Å²	37	59.9 Å²	59.9	19%	0.194	33%	0.334	C	S	.	.	H	α-helix	trans	-64.6	-40.1	175	-169.7	68.5	0	0	0	111.8	D283 I284 H483 K484 A485 L489 C490 H491	D283-L487 HydrophobicContact CB-CD1 4.45Å; I284-L487 HydrophobicContact CG2-CB 3.89Å; I284-L487 HydrophobicContact CG2-CD1 3.79Å; I284-L487 HydrophobicContact CG2-CG 4.48Å; H483-L487 WeakPolarHBondContact O-CB 3.36Å; H483-L487 PolarHBondContact O-N 3.33Å; K484-L487 PolarHBondContact O-N 2.82Å; A485-L487 VanDerWaalsContact C-N 3.32Å; A485-L487 PolarHBondContact O-N 3.39Å; L487-L489 VanDerWaalsContact C-N 3.33Å; L487-C490 PolarHBondContact O-N 3.49Å; L487-H491 VanDerWaalsContact CD1-CE1 3.44Å; L487-H491 WeakPolarHBondContact CD1-CE1 3.48Å; L487-H491 PolarHBondContact O-N 3.04Å; L487-H491 VanDerWaalsContact O-N 3.09Å; L487-H491 PolarHBondContact O-ND1 3.15Å
488	Q	95.8	Very high	94.4	Very high	101 Å²	101	56.9 Å²	56.9	47%	0.472	32%	0.321	S	S	.	.	H	α-helix	trans	-62.6	-40.1	172.9	-69.6	-61.5	-46.8	0	0	111.7	K484 A485 H491 V492 G493	K484-Q488 VanDerWaalsContact O-CG 3.29Å; K484-Q488 WeakPolarHBondContact O-CG 3.34Å; K484-Q488 PolarHBondContact O-N 2.83Å; A485-Q488 PolarHBondContact O-N 3.5Å; Q488-H491 PolarHBondContact O-N 3.44Å; Q488-V492 PolarHBondContact O-N 3.48Å; Q488-G493 PolarHBondContact O-N 3.33Å
489	L	93.1	Very high	94.3	Very high	19 Å²	19	60.3 Å²	60.3	10%	0.099	33%	0.332	C	S	.	.	H	α-helix	trans	-61.8	-43.4	173.2	-68.3	-174.5	0	0	0	112.3	E291 V292 Y298 A485 A486 L487 H491 G493 L494	E291-L489 HydrophobicContact CB-CD1 4.04Å; E291-L489 HydrophobicContact CG-CD1 3.78Å; V292-L489 HydrophobicContact CG2-CD1 3.51Å; V292-L489 HydrophobicContact CG2-CG 4.27Å; Y298-L489 HydrophobicContact CD1-CD1 4.03Å; Y298-L489 HydrophobicContact CD1-CD2 4.11Å; Y298-L489 HydrophobicContact CD1-CG 4.25Å; Y298-L489 HydrophobicContact CE1-CD1 3.67Å; Y298-L489 HydrophobicContact CE1-CD2 3.53Å; Y298-L489 HydrophobicContact CE1-CG 3.48Å; Y298-L489 VanDerWaalsContact CE1-CG 3.48Å; Y298-L489 HydrophobicContact CE2-CD2 4.12Å; A485-L489 PolarHBondContact O-N 3.14Å; A486-L489 WeakPolarHBondContact O-CB 3.43Å; A486-L489 PolarHBondContact O-N 2.93Å; L487-L489 VanDerWaalsContact C-N 3.33Å; L489-H491 VanDerWaalsContact C-N 3.3Å; L489-H491 PolarHBondContact O-N 3.44Å; L489-G493 WeakPolarHBondContact O-CA 3.25Å; L489-G493 PolarHBondContact O-N 2.86Å; L489-L494 HydrophobicContact CD1-CD2 4.45Å; L489-L494 HydrophobicContact CD2-CB 4.32Å; L489-L494 HydrophobicContact CD2-CD2 3.48Å; L489-L494 VanDerWaalsContact CD2-CD2 3.48Å; L489-L494 HydrophobicContact CD2-CG 3.7Å
490	C	91	Very high	94.1	Very high	49 Å²	49	64 Å²	64	33%	0.331	36%	0.356	S	S	.	.	H	α-helix	trans	-61.9	-37.4	178.3	-68.3	0	0	0	0	112.6	S288 A486 L487	S288-C490 PolarHBondContact OG-SG 2.5Å; A486-C490 PolarHBondContact O-N 3.31Å; A486-C490 PolarHBondContact O-SG 2.91Å; A486-C490 VanDerWaalsContact O-SG 3.33Å; L487-C490 PolarHBondContact O-N 3.49Å
491	H	91.2	Very high	93.8	Very high	137 Å²	137	63.3 Å²	63.3	63%	0.634	35%	0.35	S	S	*	.	H	α-helix	trans	-89.6	-39.8	-175	-64.8	154.6	0	0	0	114.4	L487 Q488 L489	L487-H491 VanDerWaalsContact CD1-CE1 3.44Å; L487-H491 WeakPolarHBondContact CD1-CE1 3.48Å; L487-H491 PolarHBondContact O-N 3.04Å; L487-H491 VanDerWaalsContact O-N 3.09Å; L487-H491 PolarHBondContact O-ND1 3.15Å; Q488-H491 PolarHBondContact O-N 3.44Å; L489-H491 VanDerWaalsContact C-N 3.3Å; L489-H491 PolarHBondContact O-N 3.44Å
492	V	91.2	Very high	93	Very high	115 Å²	115	66 Å²	66	70%	0.697	37%	0.365	S	S	*	.	H	α-helix	trans	-117.9	-20.1	-169	-171.3	0	0	0	0	111.8	Q488	Q488-V492 PolarHBondContact O-N 3.48Å
493	G	91.8	Very high	91.9	Very high	32 Å²	32	68.6 Å²	68.6	33%	0.33	38%	0.375	S	S	.	.			trans	82.8	-174.1	-172.8	0	0	0	0	0	113.5	Q488 L489	Q488-G493 PolarHBondContact O-N 3.33Å; L489-G493 WeakPolarHBondContact O-CA 3.25Å; L489-G493 PolarHBondContact O-N 2.86Å
494	L	93.3	Very high	89.9	Confident	50 Å²	50	71 Å²	71	26%	0.262	39%	0.389	S	S	.	.	S	Bend	trans	-68.8	140.8	177.2	-79.1	163.6	0	0	0	111.1	Y298 L489 I498 P500	Y298-L494 HydrophobicContact CD1-CD2 4.23Å; Y298-L494 HydrophobicContact CD2-CD2 4.17Å; Y298-L494 HydrophobicContact CG-CD2 3.91Å; L489-L494 HydrophobicContact CD1-CD2 4.45Å; L489-L494 HydrophobicContact CD2-CB 4.32Å; L489-L494 HydrophobicContact CD2-CD2 3.48Å; L489-L494 VanDerWaalsContact CD2-CD2 3.48Å; L489-L494 HydrophobicContact CD2-CG 3.7Å; L494-I498 HydrophobicContact CD2-CG2 3.97Å; L494-P500 VanDerWaalsContact CD1-CA 3.46Å; L494-P500 HydrophobicContact CD1-CB 3.64Å; L494-P500 HydrophobicContact CD1-CG 4.43Å
495	P	92.9	Very high	87.5	Confident	51 Å²	51	69.4 Å²	69.4	33%	0.331	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-57.5	150.6	173.1	-23.7	32.9	0	0	0	112.7	Y298 G497 I498	Y298-P495 HydrophobicContact CD2-CG 3.83Å; Y298-P495 VanDerWaalsContact CE2-CD 3.41Å; Y298-P495 HydrophobicContact CE2-CG 3.59Å; P495-G497 PolarHBondContact O-N 2.86Å; P495-I498 HydrophobicContact CB-CD1 4.03Å; P495-I498 HydrophobicContact CB-CG1 4.46Å; P495-I498 HydrophobicContact CG-CD1 4.08Å; P495-I498 WeakPolarHBondContact O-CB 3.5Å; P495-I498 PolarHBondContact O-N 3.24Å; P495-I498 VanDerWaalsContact O-N 3.11Å
496	I	91.9	Very high	84.6	Confident	180 Å²	180	74.2 Å²	74.2	92%	0.923	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	133	178.2	-61.6	165.6	0	0	0	110.6	I498	I496-I498 VanDerWaalsContact C-N 3.33Å
497	G	92.5	Very high	81.5	Confident	78 Å²	78	80 Å²	80	80%	0.804	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.8	-8.3	178.9	0	0	0	0	0	114.8	P495	P495-G497 PolarHBondContact O-N 2.86Å
498	I	93.1	Very high	78.4	Confident	19 Å²	19	82.6 Å²	82.6	10%	0.097	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-96	126.3	175.4	-56.9	-174.6	0	0	0	108.9	D297 Y298 K301 L494 P495 I496	D297-I498 HydrophobicContact CB-CG2 4.11Å; Y298-I498 HydrophobicContact CD2-CD1 4.16Å; K301-I498 HydrophobicContact CD-CD1 4.48Å; K301-I498 HydrophobicContact CG-CD1 3.57Å; L494-I498 HydrophobicContact CD2-CG2 3.97Å; P495-I498 HydrophobicContact CB-CD1 4.03Å; P495-I498 HydrophobicContact CB-CG1 4.46Å; P495-I498 HydrophobicContact CG-CD1 4.08Å; P495-I498 WeakPolarHBondContact O-CB 3.5Å; P495-I498 PolarHBondContact O-N 3.24Å; P495-I498 VanDerWaalsContact O-N 3.11Å; I496-I498 VanDerWaalsContact C-N 3.33Å
499	R	91.3	Very high	75.1	Confident	129 Å²	129	83.9 Å²	83.9	49%	0.487	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-90.2	141	179.1	-65.4	-175.1	179.6	-175.2	-1.8	110	N295 T553	N295-R499 PolarHBondContact ND2-O 3.46Å; R499-T553 PolarHBondContact NH1-O 2.91Å
500	P	90.4	Very high	71.9	Confident	80 Å²	80	87.8 Å²	87.8	52%	0.519	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-66.3	152.3	174.2	28	-34.1	0	0	0	111.4	E291 L494	E291-P500 WeakPolarHBondContact OE1-CA 3.2Å; L494-P500 VanDerWaalsContact CD1-CA 3.46Å; L494-P500 HydrophobicContact CD1-CB 3.64Å; L494-P500 HydrophobicContact CD1-CG 4.43Å
501	I	88.2	Confident	68.8	Low	47 Å²	47	90.7 Å²	90.7	24%	0.241	52%	0.522	C	S	.	.	P	Polyproline II helix	trans	-73.1	126.1	166.4	-55.9	-59.6	0	0	0	108	E291 L294 N295 W347 Y503	E291-I501 PolarHBondContact OE1-N 2.87Å; E291-I501 WeakPolarHBondContact OE2-CB 3.37Å; E291-I501 PolarHBondContact OE2-N 3.42Å; E291-I501 VanDerWaalsContact OE2-N 3.13Å; L294-I501 HydrophobicContact CB-CG1 3.95Å; L294-I501 HydrophobicContact CB-CG2 4.5Å; L294-I501 HydrophobicContact CD1-CG2 4.19Å; N295-I501 HydrophobicContact CB-CD1 4.36Å; N295-I501 HydrophobicContact CB-CG1 4Å; W347-I501 HydrophobicContact CZ2-CG2 4.27Å; I501-Y503 HydrophobicContact CB-CE1 4.21Å; I501-Y503 HydrophobicContact CG2-CD1 4.27Å; I501-Y503 HydrophobicContact CG2-CE1 3.68Å; I501-Y503 WeakPolarHBondContact O-CE2 3.4Å
502	I	79.6	Confident	65.6	Low	91 Å²	91	91 Å²	91	47%	0.467	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-94.4	121.3	-179.7	-59	176.8	0	0	0	108.2
503	Y	73.1	Confident	62.5	Low	56 Å²	56	91.8 Å²	91.8	22%	0.22	53%	0.529	C	S	.	.			trans	-96.5	107.7	174.4	-43.4	-72.6	0	0	0	108.2	L290 E291 L294 W347 I349 I501 N505	L290-Y503 HydrophobicContact CD2-CD1 4.3Å; L290-Y503 HydrophobicContact CD2-CE1 3.69Å; L290-Y503 HydrophobicContact CG-CE1 4.21Å; E291-Y503 WeakPolarHBondContact CA-OH 3.47Å; E291-Y503 PolarHBondContact N-OH 2.98Å; E291-Y503 PolarHBondContact OE2-OH 2.92Å; L294-Y503 HydrophobicContact CD1-CE1 3.74Å; W347-Y503 HydrophobicContact CE3-CD1 4.46Å; W347-Y503 AromaticContact CH2-CD1 3.45Å; W347-Y503 HydrophobicContact CH2-CD1 3.45Å; W347-Y503 VanDerWaalsContact CH2-CD1 3.45Å; W347-Y503 HydrophobicContact CH2-CE1 4.01Å; W347-Y503 HydrophobicContact CZ2-CD1 4.37Å; W347-Y503 AromaticContact CZ3-CD1 3.49Å; W347-Y503 HydrophobicContact CZ3-CD1 3.49Å; W347-Y503 VanDerWaalsContact CZ3-CD1 3.49Å; W347-Y503 HydrophobicContact CZ3-CE1 4.02Å; I349-Y503 HydrophobicContact CD1-CD1 3.44Å; I349-Y503 VanDerWaalsContact CD1-CD1 3.44Å; I349-Y503 HydrophobicContact CD1-CD2 4.42Å; I349-Y503 HydrophobicContact CD1-CE1 4.09Å; I349-Y503 HydrophobicContact CD1-CG 3.64Å; I501-Y503 HydrophobicContact CB-CE1 4.21Å; I501-Y503 HydrophobicContact CG2-CD1 4.27Å; I501-Y503 HydrophobicContact CG2-CE1 3.68Å; I501-Y503 WeakPolarHBondContact O-CE2 3.4Å; Y503-N505 PolarHBondContact O-N 3.41Å
504	D	56	Low	59.4	Low	86 Å²	86	97.1 Å²	97.1	46%	0.46	55%	0.55	S	S	.	.			trans	-67.8	100.8	171.6	-88.2	-13.8	0	0	0	108.6	N506 S558	D504-N506 PolarHBondContact O-N 2.87Å; D504-S558 WeakPolarHBondContact OD2-CA 3.33Å
505	N	46.6	Very low	56.2	Low	96 Å²	96	100.3 Å²	100.3	51%	0.513	57%	0.571	S	S	.	*			trans	-80.7	3.3	177.8	-129.7	-3.4	0	0	0	112	R388 Y503	R388-N505 PolarHBondContact NH2-OD1 2.88Å; Y503-N505 PolarHBondContact O-N 3.41Å
506	N	37.6	Very low	52.9	Low	106 Å²	106	105.9 Å²	105.9	57%	0.567	60%	0.598	S	S	*	*			trans	-144.5	94.6	-163	-143.2	5.7	0	0	0	112.6	D504 N508	D504-N506 PolarHBondContact O-N 2.87Å; N506-N508 PolarHBondContact O-N 3.46Å
507	S	34.4	Very low	49.7	Very low	120 Å²	120	103.8 Å²	103.8	84%	0.839	59%	0.594	S	S	*	*			trans	-82.7	21.2	165.6	51.4	0	0	0	0	113
508	N	31	Very low	46.5	Very low	92 Å²	92	105.8 Å²	105.8	49%	0.492	59%	0.591	S	S	.	*			trans	-107.5	47.9	174.1	-72.5	-23.5	0	0	0	112.2	E353 N506	E353-N508 PolarHBondContact OE1-ND2 3.46Å; N506-N508 PolarHBondContact O-N 3.46Å
509	T	27	Very low	43.1	Very low	129 Å²	129	112.5 Å²	112.5	79%	0.791	63%	0.627	S	S	*	*			trans	-97.8	62.3	148.7	32.1	0	0	0	0	108.5	T511	T509-T511 PolarHBondContact O-N 2.85Å; T509-T511 VanDerWaalsContact O-N 3.15Å
510	T	26.7	Very low	40.1	Very low	101 Å²	101	111.4 Å²	111.4	62%	0.62	64%	0.639	S	S	*	*			trans	-52.1	121	148.5	-56.4	0	0	0	0	105.9	N512	T510-N512 PolarHBondContact O-N 2.93Å
511	T	24.3	Very low	36.8	Very low	110 Å²	110	117 Å²	117	68%	0.675	66%	0.659	S	S	*	*			trans	-55.1	71.6	175.3	-34.6	0	0	0	0	110.3	T509 N513	T509-T511 PolarHBondContact O-N 2.85Å; T509-T511 VanDerWaalsContact O-N 3.15Å; T511-N513 PolarHBondContact O-N 3.36Å
512	N	25.5	Very low	33.7	Very low	144 Å²	144	121.7 Å²	121.7	77%	0.77	68%	0.683	S	S	*	*			trans	-80	68.9	165.2	-80.3	-3.5	0	0	0	107	T510 N514	T510-N512 PolarHBondContact O-N 2.93Å; N512-N514 PolarHBondContact O-N 3.39Å
513	N	24.9	Very low	30.9	Very low	131 Å²	131	126.5 Å²	126.5	70%	0.701	70%	0.7	S	S	*	*			trans	-56.5	95.5	146.4	-70.8	-21	0	0	0	105.4	T511	T511-N513 PolarHBondContact O-N 3.36Å
514	N	27.9	Very low	28.5	Very low	144 Å²	144	131 Å²	131	77%	0.77	73%	0.728	S	S	*	*			trans	-166.3	122.2	150.7	-89.5	-24.9	0	0	0	111	N512	N512-N514 PolarHBondContact O-N 3.39Å
515	T	24.8	Very low	26.9	Very low	116 Å²	116	134.1 Å²	134.1	71%	0.712	74%	0.744	S	S	*	*			trans	69.3	94.9	148.6	61.8	0	0	0	0	118.6	T517	T515-T517 PolarHBondContact O-N 2.83Å
516	N	23.5	Very low	25.8	Very low	168 Å²	168	134.9 Å²	134.9	90%	0.898	75%	0.754	S	S	*	*			trans	-2.3	102	131.4	-58	-18.9	0	0	0	114.9
517	T	25.2	Very low	25.1	Very low	137 Å²	137	136.7 Å²	136.7	84%	0.84	76%	0.764	S	S	*	*			trans	-138.9	127.8	148.3	20.5	0	0	0	0	109	T515	T515-T517 PolarHBondContact O-N 2.83Å
518	T	25.2	Very low	24.6	Very low	119 Å²	119	136.7 Å²	136.7	73%	0.73	76%	0.761	S	S	*	*			trans	-59.4	143.8	-175.5	44.3	0	0	0	0	114.2
519	D	22	Very low	24.3	Very low	160 Å²	160	138.9 Å²	138.9	86%	0.856	77%	0.773	S	S	*	*			trans	44.1	93.7	139.8	-58	-28.5	0	0	0	118.1
520	S	27.7	Very low	24.2	Very low	107 Å²	107	140.8 Å²	140.8	75%	0.748	78%	0.777	S	S	*	*			trans	-139.3	97.6	148.4	55.5	0	0	0	0	109.1	I522	S520-I522 PolarHBondContact O-N 3.39Å; S520-I522 VanDerWaalsContact O-N 3.11Å
521	E	22.2	Very low	24.2	Very low	197 Å²	197	145.3 Å²	145.3	92%	0.921	79%	0.789	S	S	*	*			trans	-50	106.2	167.5	-72.9	173.3	122.5	0	0	110.5	K523	E521-K523 PolarHBondContact O-N 2.91Å
522	I	22.7	Very low	24.1	Very low	146 Å²	146	146.8 Å²	146.8	75%	0.749	79%	0.793	S	S	*	*			trans	-93.1	96.7	163.1	-60	177.9	0	0	0	106.9	S520 L524	S520-I522 PolarHBondContact O-N 3.39Å; S520-I522 VanDerWaalsContact O-N 3.11Å; I522-L524 PolarHBondContact O-N 3.36Å; I522-L524 VanDerWaalsContact O-N 3.16Å
523	K	21.2	Very low	23.9	Very low	191 Å²	191	145 Å²	145	83%	0.83	80%	0.798	S	S	*	*			trans	-64.2	99.1	175.6	-157.5	179.2	-170.5	-177.5	0	109.1	E521	E521-K523 PolarHBondContact O-N 2.91Å
524	L	21.7	Very low	23.7	Very low	152 Å²	152	143.5 Å²	143.5	80%	0.796	80%	0.797	S	S	*	*			trans	-86.7	112.3	167.2	-91.2	113.6	0	0	0	108.7	I522 P526	I522-L524 PolarHBondContact O-N 3.36Å; I522-L524 VanDerWaalsContact O-N 3.16Å; L524-P526 VanDerWaalsContact O-CD 3.28Å; L524-P526 WeakPolarHBondContact O-CD 3.3Å
525	D	22.9	Very low	23.6	Very low	150 Å²	150	145.5 Å²	145.5	80%	0.802	80%	0.799	S	S	*	*			trans	-62.1	118.7	170.9	-92.5	-35.4	0	0	0	110.3
526	P	23.7	Very low	23.4	Very low	113 Å²	113	147.1 Å²	147.1	73%	0.734	80%	0.803	S	S	*	*			trans	-95.2	97.2	172.2	31.6	-20.4	0	0	0	108.6	L524	L524-P526 VanDerWaalsContact O-CD 3.28Å; L524-P526 WeakPolarHBondContact O-CD 3.3Å
527	N	21.9	Very low	23.5	Very low	144 Å²	144	146.3 Å²	146.3	77%	0.77	80%	0.797	S	S	*	*			trans	-151.2	96.4	166	-135.2	2.3	0	0	0	112.6
528	P	25.6	Very low	23.3	Very low	120 Å²	120	145.7 Å²	145.7	78%	0.779	80%	0.798	S	S	*	*			trans	-110.9	109.8	146.9	27.9	-13.2	0	0	0	108.6	L530	P528-L530 PolarHBondContact O-N 2.9Å
529	D	23.8	Very low	23.2	Very low	137 Å²	137	145 Å²	145	73%	0.733	80%	0.796	S	S	*	*			trans	-11	105.6	169.9	-63.6	-48.3	0	0	0	117.2	F531	D529-F531 PolarHBondContact O-N 3.47Å; D529-F531 VanDerWaalsContact O-N 3.15Å
530	L	24.4	Very low	23.2	Very low	170 Å²	170	142.4 Å²	142.4	89%	0.89	79%	0.79	S	S	*	*			trans	-71	97.9	167	-156	96.7	0	0	0	109.2	P528 N532	P528-L530 PolarHBondContact O-N 2.9Å; L530-N532 PolarHBondContact O-N 3.44Å
531	F	26.5	Very low	23.1	Very low	195 Å²	195	142.7 Å²	142.7	86%	0.855	79%	0.792	S	S	*	*			trans	-67.5	106.4	171.2	-109.1	-92	0	0	0	110.5	D529 A533	D529-F531 PolarHBondContact O-N 3.47Å; D529-F531 VanDerWaalsContact O-N 3.15Å; F531-A533 PolarHBondContact O-N 2.99Å
532	N	21.9	Very low	23.1	Very low	142 Å²	142	138.6 Å²	138.6	76%	0.759	79%	0.785	S	S	*	*			trans	-9.1	100.8	162.6	-78.4	-39.3	0	0	0	117.1	L530	L530-N532 PolarHBondContact O-N 3.44Å
533	A	22.3	Very low	23.3	Very low	106 Å²	106	137.2 Å²	137.2	88%	0.876	79%	0.788	S	S	*	*			trans	-114.9	56.5	156.1	0	0	0	0	0	110	F531	F531-A533 PolarHBondContact O-N 2.99Å
534	S	21.3	Very low	23.3	Very low	99 Å²	99	134 Å²	134	69%	0.692	79%	0.79	S	S	*	*			trans	-101.2	92.8	170.1	54.1	0	0	0	0	109.8
535	K	24.9	Very low	23.5	Very low	187 Å²	187	132.3 Å²	132.3	81%	0.813	79%	0.791	S	S	*	*			trans	-150.4	104.1	155.5	-139.4	173.8	-173.8	178.9	0	110.3
536	L	21.4	Very low	23.5	Very low	150 Å²	150	131.2 Å²	131.2	79%	0.785	80%	0.795	S	S	*	*			trans	39	115.6	139.6	-77.2	111.8	0	0	0	115.8
537	I	25.3	Very low	23.5	Very low	151 Å²	151	130.9 Å²	130.9	77%	0.774	80%	0.795	S	S	*	*				-165.9	131.9	69.7	-76.4	151.9	0	0	0	107.6
538	S	20.2	Very low	23.6	Very low	123 Å²	123	129.7 Å²	129.7	86%	0.86	80%	0.798	S	S	*	*			trans	-119.9	134.2	164.7	-56.1	0	0	0	0	109.4
539	P	23.6	Very low	23.5	Very low	106 Å²	106	130.2 Å²	130.2	69%	0.688	80%	0.799	S	S	*	*			trans	-119.7	117.9	147.4	24.1	-6.2	0	0	0	110.2
540	S	22	Very low	23.4	Very low	105 Å²	105	128.3 Å²	128.3	73%	0.734	80%	0.797	S	S	*	*			trans	11.5	125.7	142	56.4	0	0	0	0	119.2
541	S	26.2	Very low	23.4	Very low	112 Å²	112	126.4 Å²	126.4	78%	0.783	79%	0.794	S	S	*	*				170.5	133.1	97.7	47	0	0	0	0	112.6
542	S	21.7	Very low	23.3	Very low	112 Å²	112	122.3 Å²	122.3	78%	0.783	79%	0.785	S	S	*	*			trans	-14	130.6	160.5	52.8	0	0	0	0	119.3
543	S	26.5	Very low	23.5	Very low	117 Å²	117	121.4 Å²	121.4	82%	0.818	79%	0.785	S	S	*	*				-167.7	126.6	111.8	45.6	0	0	0	0	110.9
544	S	21.8	Very low	23.5	Very low	124 Å²	124	125.9 Å²	125.9	87%	0.867	79%	0.785	S	S	*	*			trans	-69.6	128	172.3	47.8	0	0	0	0	111.1
545	S	26	Very low	23.6	Very low	116 Å²	116	128.7 Å²	128.7	81%	0.811	79%	0.785	S	S	*	*			trans	-140.9	109.8	147.9	58	0	0	0	0	109
546	S	21.7	Very low	23.5	Very low	126 Å²	126	127.9 Å²	127.9	88%	0.881	78%	0.784	S	S	*	*			trans	-73.3	115	172.3	49.4	0	0	0	0	109
547	S	25.2	Very low	23.6	Very low	107 Å²	107	126.6 Å²	126.6	75%	0.748	77%	0.772	S	S	*	*			trans	-120.3	121.4	159.4	63.5	0	0	0	0	108.8	T549	S547-T549 PolarHBondContact O-N 2.89Å
548	S	22.7	Very low	23.6	Very low	118 Å²	118	121.4 Å²	121.4	83%	0.825	75%	0.749	S	S	*	*			trans	-67.8	103.3	-175.7	49.3	0	0	0	0	111	S550	S548-S550 PolarHBondContact O-N 3.43Å
549	T	23.2	Very low	23.8	Very low	132 Å²	132	118.7 Å²	118.7	81%	0.81	74%	0.741	S	S	*	*			trans	-78	112.9	170.7	-50.4	0	0	0	0	109.2	S547	S547-T549 PolarHBondContact O-N 2.89Å
550	S	22.6	Very low	23.9	Very low	97 Å²	97	120.2 Å²	120.2	68%	0.678	74%	0.736	S	S	*	*			trans	-66.8	146.7	173.1	-57.7	0	0	0	0	110.5	S548 T552	S548-S550 PolarHBondContact O-N 3.43Å; S550-T552 PolarHBondContact O-N 3.21Å
551	P	25.3	Very low	24	Very low	129 Å²	129	124 Å²	124	84%	0.838	74%	0.74	S	S	*	*			trans	-72.8	115.5	-170	16.9	-10.4	0	0	0	110.5	T553	P551-T553 PolarHBondContact O-N 3.46Å
552	T	23.9	Very low	24.2	Very low	109 Å²	109	123.3 Å²	123.3	67%	0.669	73%	0.727	S	S	*	*			trans	-67.2	113	172.8	19.5	0	0	0	0	109.1	S550 K554	S550-T552 PolarHBondContact O-N 3.21Å; T552-K554 PolarHBondContact O-N 3.34Å
553	T	25	Very low	24.2	Very low	123 Å²	123	122.4 Å²	122.4	76%	0.755	71%	0.713	S	S	*	*			trans	-36.9	121.2	172.6	27.6	0	0	0	0	112.4	R499 P551 K555	R499-T553 PolarHBondContact NH1-O 2.91Å; P551-T553 PolarHBondContact O-N 3.46Å; T553-K555 PolarHBondContact O-N 3.04Å; T553-K555 VanDerWaalsContact O-N 3.16Å
554	K	22.9	Very low	24.1	Very low	201 Å²	201	120.2 Å²	120.2	87%	0.874	70%	0.698	S	S	*	*			trans	-62.6	108.3	170.4	-70	177.9	177.1	179.8	0	107.7	T552 Q556	T552-K554 PolarHBondContact O-N 3.34Å; K554-Q556 PolarHBondContact O-N 2.73Å
555	K	23.2	Very low	24.1	Very low	158 Å²	158	122.1 Å²	122.1	69%	0.687	69%	0.687	S	S	*	*			trans	-75	103.1	169.8	-88.3	-173.4	173.2	-174.1	0	107.5	T553	T553-K555 PolarHBondContact O-N 3.04Å; T553-K555 VanDerWaalsContact O-N 3.16Å
556	Q	22.4	Very low	24	Very low	169 Å²	169	123.5 Å²	123.5	79%	0.79	68%	0.679	S	S	*	*			trans	-83.5	111	173.4	-171.2	170.4	-0.1	0	0	107.6	K554	K554-Q556 PolarHBondContact O-N 2.73Å
557	F	24.2	Very low	24.1	Very low	124 Å²	124	126.5 Å²	126.5	54%	0.544	68%	0.676	S	S	.	*			trans	-86.2	106.6	173.1	-97.1	-88.4	0	0	0	107.8
558	S	25.8	Very low	24	Very low	42 Å²	42	127.5 Å²	127.5	29%	0.294	68%	0.678	S	S	.	*			trans	-97.1	113.2	171.5	62.8	0	0	0	0	108.5	D504 K560	D504-S558 WeakPolarHBondContact OD2-CA 3.33Å; S558-K560 PolarHBondContact O-N 3.25Å
559	G	24.9	Very low	24.2	Very low	66 Å²	66	129.3 Å²	129.3	68%	0.68	68%	0.678	S	S	*	*			trans	-65.5	102.2	161.1	0	0	0	0	0	106.9
560	K	24.6	Very low	24.2	Very low	137 Å²	137	133.9 Å²	133.9	60%	0.596	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-95.3	153.2	178.4	-79.8	-170	177.9	-167	0	110	S558	S558-K560 PolarHBondContact O-N 3.25Å
561	K	25.1	Very low	24.2	Very low	186 Å²	186	136.7 Å²	136.7	81%	0.809	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-56.6	134.3	175.1	-136.6	175.4	177.3	-172.1	0	109
562	L	29.4	Very low	24.3	Very low	96 Å²	96	136.4 Å²	136.4	50%	0.503	68%	0.681	S	S	.	*	P	Polyproline II helix	trans	-56.4	156.3	-167.2	-92.5	137	0	0	0	114.6	E211	E211-L562 VanDerWaalsContact OE1-O 3.11Å
563	N	22.9	Very low	24.5	Very low	94 Å²	94	135.8 Å²	135.8	50%	0.503	68%	0.682	S	S	.	*			trans	-119.5	117.6	150.6	-89.9	-44.9	0	0	0	106.6	E211 H319 Y565	E211-N563 VanDerWaalsContact OE1-CA 3.28Å; E211-N563 WeakPolarHBondContact OE1-CA 3.48Å; H319-N563 PolarHBondContact ND1-ND2 3.02Å; N563-Y565 HydrophobicContact CB-CD2 4.38Å; N563-Y565 HydrophobicContact CB-CE2 4.22Å; N563-Y565 PolarHBondContact O-N 3.31Å
564	S	23.8	Very low	24.6	Very low	71 Å²	71	138.8 Å²	138.8	50%	0.497	69%	0.687	S	S	.	*			trans	-65.5	113.9	175	62.9	0	0	0	0	112.1	E211	E211-S564 PolarHBondContact OE1-N 3.06Å
565	Y	21.9	Very low	24.7	Very low	163 Å²	163	136.9 Å²	136.9	64%	0.639	69%	0.686	S	S	*	*			trans	-135.2	146	157.9	-70.9	-85.1	0	0	0	107.5	N563	N563-Y565 HydrophobicContact CB-CD2 4.38Å; N563-Y565 HydrophobicContact CB-CE2 4.22Å; N563-Y565 PolarHBondContact O-N 3.31Å
566	F	23.4	Very low	25	Very low	146 Å²	146	136.3 Å²	136.3	64%	0.64	69%	0.69	S	S	*	*			trans	108	29.7	179.1	-54	-66.1	0	0	0	118.9
567	F	23.7	Very low	25.2	Very low	188 Å²	188	135.3 Å²	135.3	83%	0.825	69%	0.69	S	S	*	*			trans	-115.2	102.4	149.9	-67.3	-78.1	0	0	0	108.2	D569	F567-D569 PolarHBondContact O-N 3.15Å
568	T	23.6	Very low	25.4	Very low	129 Å²	129	136.1 Å²	136.1	79%	0.791	70%	0.7	S	S	*	*			trans	-89.1	95.1	164.9	51	0	0	0	0	106.4
569	D	25.4	Very low	25.3	Very low	155 Å²	155	144.6 Å²	144.6	83%	0.829	73%	0.727	S	S	*	*			trans	-66.7	132.3	171.1	-83.3	-33.6	0	0	0	109.9	F567	F567-D569 PolarHBondContact O-N 3.15Å
570	R	23.2	Very low	25.3	Very low	228 Å²	228	147.9 Å²	147.9	86%	0.86	73%	0.728	S	S	*	*			trans	-71.3	143.4	175.4	-78.4	-179.7	174.5	179.3	-1.7	109.9
571	H	24.6	Very low	25.4	Very low	156 Å²	156	145.4 Å²	145.4	72%	0.722	72%	0.721	S	S	*	*			trans	-22.8	130	175.8	-127.2	-88.7	0	0	0	117	S573	H571-S573 VanDerWaalsContact C-N 3.25Å; H571-S573 PolarHBondContact O-N 3.31Å
572	P	27	Very low	25.5	Very low	124 Å²	124	141.4 Å²	141.4	81%	0.805	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	13.8	-177.5	-17.4	31.3	0	0	0	117.5
573	S	27.5	Very low	25.3	Very low	96 Å²	96	141 Å²	141	67%	0.671	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	2.4	-172.1	51.7	0	0	0	0	115.8	H571	H571-S573 VanDerWaalsContact C-N 3.25Å; H571-S573 PolarHBondContact O-N 3.31Å
574	E	26.7	Very low	25.6	Very low	186 Å²	186	139.3 Å²	139.3	87%	0.869	72%	0.717	S	S	*	*			trans	-108.9	72.5	174.5	-69.7	-175.2	172.9	0	0	110.8	N576	E574-N576 VanDerWaalsContact C-N 3.33Å; E574-N576 PolarHBondContact O-N 3.33Å
575	L	26.4	Very low	25.6	Very low	161 Å²	161	139.3 Å²	139.3	84%	0.843	72%	0.721	S	S	*	*			trans	-63.5	94.5	159.9	-106.5	97.6	0	0	0	108.2
576	N	28	Very low	25.8	Very low	145 Å²	145	135.6 Å²	135.6	78%	0.775	72%	0.724	S	S	*	*			trans	-134.6	114.7	154.9	-143.1	0.6	0	0	0	109.3	E574 N578	E574-N576 VanDerWaalsContact C-N 3.33Å; E574-N576 PolarHBondContact O-N 3.33Å; N576-N578 PolarHBondContact O-N 3.42Å
577	N	27.5	Very low	25.9	Very low	149 Å²	149	136.3 Å²	136.3	80%	0.797	73%	0.734	S	S	*	*			trans	-48.5	97.8	-179.2	-69.5	-36.9	0	0	0	111.4
578	N	28.3	Very low	26	Very low	141 Å²	141	134.7 Å²	134.7	75%	0.754	75%	0.746	S	S	*	*			trans	-161	68.7	161.6	-84.3	-35.6	0	0	0	108.4	N576 I580	N576-N578 PolarHBondContact O-N 3.42Å; N578-I580 VanDerWaalsContact C-N 3.29Å; N578-I580 PolarHBondContact O-N 3.49Å
579	Y	22.9	Very low	26.1	Very low	219 Å²	219	135 Å²	135	86%	0.859	74%	0.744	S	S	*	*			trans	-72.2	86	171.3	-157.1	-91.1	0	0	0	108.1
580	I	25.8	Very low	26.2	Very low	135 Å²	135	133.9 Å²	133.9	69%	0.692	74%	0.739	S	S	*	*			trans	-98	92.1	167.5	-60.1	176.8	0	0	0	106.3	N578 S582	N578-I580 VanDerWaalsContact C-N 3.29Å; N578-I580 PolarHBondContact O-N 3.49Å; I580-S582 PolarHBondContact O-N 3.21Å
581	D	27.4	Very low	26.3	Very low	86 Å²	86	128.7 Å²	128.7	46%	0.46	73%	0.733	S	S	.	*			trans	-43.4	118.2	167.2	-167.3	-25.9	0	0	0	109.3	T583 A584	D581-T583 PolarHBondContact O-N 3.22Å; D581-T583 WeakPolarHBondContact OD1-CB 3.35Å; D581-T583 PolarHBondContact OD1-N 3.33Å; D581-T583 PolarHBondContact OD1-OG1 3.43Å; D581-A584 PolarHBondContact O-N 3.5Å
582	S	26.3	Very low	26.4	Very low	102 Å²	102	127.1 Å²	127.1	71%	0.713	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.7	-14.2	-178	43.3	0	0	0	0	113.5	I580 A584 A585	I580-S582 PolarHBondContact O-N 3.21Å; S582-A584 VanDerWaalsContact C-N 3.33Å; S582-A585 PolarHBondContact O-N 3.34Å
583	T	26	Very low	26.4	Very low	87 Å²	87	127.3 Å²	127.3	53%	0.534	73%	0.729	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.3	-30.8	173.6	-37.4	0	0	0	0	112.4	D581	D581-T583 PolarHBondContact O-N 3.22Å; D581-T583 WeakPolarHBondContact OD1-CB 3.35Å; D581-T583 PolarHBondContact OD1-N 3.33Å; D581-T583 PolarHBondContact OD1-OG1 3.43Å
584	A	27.8	Very low	26.3	Very low	58 Å²	58	129.4 Å²	129.4	48%	0.479	73%	0.733	S	S	.	*	G	3₁₀ helix	trans	-76.4	-25.7	177.9	0	0	0	0	0	113.3	D581 S582 A586 L587	D581-A584 PolarHBondContact O-N 3.5Å; S582-A584 VanDerWaalsContact C-N 3.33Å; A584-A586 VanDerWaalsContact C-N 3.27Å; A584-A586 PolarHBondContact O-N 3.5Å; A584-L587 PolarHBondContact O-N 3.33Å
585	A	25.3	Very low	26.3	Very low	71 Å²	71	125.4 Å²	125.4	59%	0.587	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-75	-15.4	178.1	0	0	0	0	0	113.4	S582	S582-A585 PolarHBondContact O-N 3.34Å
586	A	25.3	Very low	26.3	Very low	85 Å²	85	122.6 Å²	122.6	70%	0.702	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-87	-17.9	173.5	0	0	0	0	0	113	A584	A584-A586 VanDerWaalsContact C-N 3.27Å; A584-A586 PolarHBondContact O-N 3.5Å
587	L	26.1	Very low	26.2	Very low	162 Å²	162	120.8 Å²	120.8	85%	0.848	71%	0.709	S	S	*	*			trans	-98.3	0.8	179.1	-76.1	169.3	0	0	0	113.6	A584	A584-L587 PolarHBondContact O-N 3.33Å
588	S	25.5	Very low	26.1	Very low	154 Å²	154	118.2 Å²	118.2	100%	1.077	70%	0.701	S	S	*	*			trans	-118.7	0	169.6	178.7	0	0	0	0	110.7

Retrieved 588 of 588 residues in 214.3 ms (Link to these results)

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