A0A087YQA3_POEFO Loading...

Post-GPI attachment to proteins GalNAc transferase 4

AlphaFold DB , UniProt , Accession A0A087YQA3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 395 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	46.4	Very low	44	Very low	228 Å²	228	158.3 Å²	158.3	100%	1.123	73%	0.725	S	S	*	*				0	-9.6	0	-71.2	-178.2	-167	0	0	115.7
2	R	42.2	Very low	43.9	Very low	232 Å²	232	158.4 Å²	158.4	88%	0.875	73%	0.73	S	S	*	*			trans	-90.2	-22.7	-178.8	-137.5	173.6	-176.1	-178.4	0.2	114.8
3	Q	43.5	Very low	44.4	Very low	172 Å²	172	160.2 Å²	160.2	80%	0.804	73%	0.726	S	S	*	*	H	α-helix	trans	-80.1	-26.5	-179.8	-81.5	174.7	-27.5	0	0	114.4	V6	Q3-V6 PolarHBondContact O-N 3.31Å
4	W	42.3	Very low	45.1	Very low	207 Å²	207	163.1 Å²	163.1	78%	0.784	73%	0.729	S	S	*	*	H	α-helix	trans	-73.4	-27	178.6	-80.2	41	0	0	0	112.9	F8	W4-F8 PolarHBondContact O-N 3.08Å
5	K	43.7	Very low	46	Very low	168 Å²	168	157.9 Å²	157.9	73%	0.73	72%	0.72	S	S	*	*	H	α-helix	trans	-71.7	-28.3	176.1	-76.5	-172.4	173.9	-175	0	113.2	S9	K5-S9 WeakPolarHBondContact O-CB 3.24Å; K5-S9 PolarHBondContact O-N 2.65Å; K5-S9 VanDerWaalsContact O-N 3.08Å
6	V	45.3	Very low	48.2	Very low	87 Å²	87	150.6 Å²	150.6	53%	0.527	69%	0.693	S	S	.	*	H	α-helix	trans	-75.9	-36.8	179.2	-178.9	0	0	0	0	111.1	Q3 S9 Q10	Q3-V6 PolarHBondContact O-N 3.31Å; V6-S9 PolarHBondContact O-N 2.63Å; V6-Q10 PolarHBondContact O-N 3.49Å; V6-Q10 VanDerWaalsContact O-N 3.17Å
7	F	42.8	Very low	50.4	Low	152 Å²	152	143.3 Å²	143.3	67%	0.667	67%	0.665	S	S	*	*	H	α-helix	trans	-66.4	-39.9	177.8	-148	-94.3	0	0	0	112.2
8	F	44.5	Very low	52.4	Low	151 Å²	151	143.2 Å²	143.2	66%	0.662	66%	0.663	S	S	*	*	H	α-helix	trans	-72.5	-31.7	173.8	-88.6	-85.1	0	0	0	113.3	W4 M12	W4-F8 PolarHBondContact O-N 3.08Å; F8-M12 PolarHBondContact O-N 3.04Å
9	S	44.9	Very low	54.3	Low	84 Å²	84	136.9 Å²	136.9	59%	0.587	64%	0.636	S	S	*	*	H	α-helix	trans	-75.3	-24.9	-178.9	-178.6	0	0	0	0	114.1	K5 V6	K5-S9 WeakPolarHBondContact O-CB 3.24Å; K5-S9 PolarHBondContact O-N 2.65Å; K5-S9 VanDerWaalsContact O-N 3.08Å; V6-S9 PolarHBondContact O-N 2.63Å
10	Q	41.9	Very low	56.1	Low	143 Å²	143	131.3 Å²	131.3	67%	0.668	61%	0.609	S	S	*	*	H	α-helix	trans	-82.2	-22.9	175.6	-88.4	178.5	-26	0	0	113.4	V6	V6-Q10 PolarHBondContact O-N 3.49Å; V6-Q10 VanDerWaalsContact O-N 3.17Å
11	H	46.5	Very low	57.9	Low	117 Å²	117	125.6 Å²	125.6	54%	0.542	59%	0.585	S	S	.	*	H	α-helix	trans	-87.1	-9.9	176.4	-88.9	63.7	0	0	0	114.1	T19	H11-T19 PolarHBondContact O-OG1 2.94Å
12	M	43.2	Very low	60.1	Low	160 Å²	160	119 Å²	119	79%	0.788	55%	0.554	S	S	*	*			trans	-103.7	46.8	174.2	-80.3	-147.7	131.4	0	0	112.6	F8	F8-M12 PolarHBondContact O-N 3.04Å
13	R	49.5	Very low	62.6	Low	181 Å²	181	110.5 Å²	110.5	68%	0.683	53%	0.528	S	S	*	.			trans	-97.8	125.4	157.3	-77.9	-176.7	164.2	-174.5	-4.9	107.8	S15 S16	R13-S15 WeakPolarHBondContact CB-OG 3.46Å; R13-S15 PolarHBondContact O-N 2.93Å; R13-S16 PolarHBondContact O-N 2.86Å
14	W	54.2	Low	65	Low	201 Å²	201	104.8 Å²	104.8	76%	0.761	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-10	176.2	-159.1	54.7	0	0	0	113.6	Q20	W14-Q20 PolarHBondContact O-NE2 3.35Å; W14-Q20 VanDerWaalsContact O-NE2 3.14Å
15	S	59.7	Low	67.6	Low	86 Å²	86	96.1 Å²	96.1	60%	0.601	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-4.5	173.1	65	0	0	0	0	115.5	R13	R13-S15 WeakPolarHBondContact CB-OG 3.46Å; R13-S15 PolarHBondContact O-N 2.93Å
16	S	80.2	Confident	70.1	Confident	40 Å²	40	92.3 Å²	92.3	28%	0.28	46%	0.46	S	S	.	.			trans	-83.1	127.1	176.9	178.3	0	0	0	0	110.8	R13 F18 T19 Q20	R13-S16 PolarHBondContact O-N 2.86Å; S16-F18 PolarHBondContact O-N 3.43Å; S16-F18 VanDerWaalsContact O-N 3.1Å; S16-F18 PolarHBondContact OG-N 2.7Å; S16-T19 PolarHBondContact O-N 2.93Å; S16-Q20 PolarHBondContact O-N 3.29Å
17	A	85.4	Confident	72.5	Confident	27 Å²	27	92.1 Å²	92.1	22%	0.223	46%	0.456	C	S	.	.	H	α-helix	trans	-53.3	-32.6	176.4	0	0	0	0	0	112.4	A21 S276 F277	A17-A21 VanDerWaalsContact O-CB 3.23Å; A17-A21 WeakPolarHBondContact O-CB 3.36Å; A17-A21 PolarHBondContact O-N 2.87Å; A17-S276 VanDerWaalsContact CA-OG 3.32Å; A17-S276 WeakPolarHBondContact CA-OG 3.44Å; A17-S276 WeakPolarHBondContact CB-OG 3.35Å; A17-S276 PolarHBondContact N-OG 2.9Å; A17-F277 HydrophobicContact CB-CD1 4.42Å; A17-F277 HydrophobicContact CB-CE1 4.32Å; A17-F277 WeakPolarHBondContact O-CE1 3.46Å
18	F	87.6	Confident	75.1	Confident	142 Å²	142	85.7 Å²	85.7	62%	0.623	43%	0.428	S	S	*	.	H	α-helix	trans	-66	-47.2	176.1	-179	-97.6	0	0	0	112.2	S16 Q20 A21 L22	S16-F18 PolarHBondContact O-N 3.43Å; S16-F18 VanDerWaalsContact O-N 3.1Å; S16-F18 PolarHBondContact OG-N 2.7Å; F18-Q20 VanDerWaalsContact C-N 3.3Å; F18-Q20 PolarHBondContact O-N 3.44Å; F18-A21 PolarHBondContact O-N 3.24Å; F18-L22 WeakPolarHBondContact O-CB 3.46Å; F18-L22 PolarHBondContact O-N 3.38Å
19	T	88.1	Confident	77.6	Confident	24 Å²	24	80.2 Å²	80.2	15%	0.147	41%	0.405	C	S	.	.	H	α-helix	trans	-64	-39.1	178.3	-48.5	0	0	0	0	110.8	H11 S16 T23	H11-T19 PolarHBondContact O-OG1 2.94Å; S16-T19 PolarHBondContact O-N 2.93Å; T19-T23 WeakPolarHBondContact O-CB 3.3Å; T19-T23 PolarHBondContact O-N 3.26Å; T19-T23 PolarHBondContact O-OG1 3.3Å
20	Q	90.9	Very high	80.1	Confident	24 Å²	24	80.4 Å²	80.4	11%	0.112	41%	0.405	C	S	.	.	H	α-helix	trans	-64.7	-45.8	174.7	-65.4	-177.7	-1.5	0	0	111.7	W14 S16 F18 L22 T23 L24 S276 F277	W14-Q20 PolarHBondContact O-NE2 3.35Å; W14-Q20 VanDerWaalsContact O-NE2 3.14Å; S16-Q20 PolarHBondContact O-N 3.29Å; F18-Q20 VanDerWaalsContact C-N 3.3Å; F18-Q20 PolarHBondContact O-N 3.44Å; Q20-L22 PolarHBondContact O-N 3.32Å; Q20-T23 PolarHBondContact O-N 3.23Å; Q20-L24 VanDerWaalsContact O-CB 3.29Å; Q20-L24 WeakPolarHBondContact O-CB 3.45Å; Q20-L24 PolarHBondContact O-N 3.35Å; Q20-S276 PolarHBondContact OE1-OG 3.37Å; Q20-S276 VanDerWaalsContact OE1-OG 3.06Å; Q20-F277 HydrophobicContact CB-CE2 4.4Å; Q20-F277 HydrophobicContact CB-CZ 3.86Å
21	A	92.4	Very high	82.7	Confident	12 Å²	12	77 Å²	77	10%	0.099	39%	0.394	C	S	.	.	H	α-helix	trans	-61.9	-42.2	177.6	0	0	0	0	0	112.4	A17 F18 S25 F277 F286	A17-A21 VanDerWaalsContact O-CB 3.23Å; A17-A21 WeakPolarHBondContact O-CB 3.36Å; A17-A21 PolarHBondContact O-N 2.87Å; F18-A21 PolarHBondContact O-N 3.24Å; A21-S25 WeakPolarHBondContact O-CB 3.42Å; A21-S25 PolarHBondContact O-N 2.94Å; A21-S25 PolarHBondContact O-OG 3.07Å; A21-F277 HydrophobicContact CB-CE1 4.04Å; A21-F277 HydrophobicContact CB-CZ 4.08Å; A21-F286 HydrophobicContact CB-CD1 4.47Å; A21-F286 HydrophobicContact CB-CE1 3.83Å; A21-F286 HydrophobicContact CB-CE2 4.05Å; A21-F286 HydrophobicContact CB-CZ 3.6Å
22	L	93.9	Very high	85.1	Confident	88 Å²	88	74.7 Å²	74.7	46%	0.461	39%	0.387	S	S	.	.	H	α-helix	trans	-64.5	-47.1	175.8	-179.3	63.9	0	0	0	111	F18 Q20 L24 S25 I26	F18-L22 WeakPolarHBondContact O-CB 3.46Å; F18-L22 PolarHBondContact O-N 3.38Å; Q20-L22 PolarHBondContact O-N 3.32Å; L22-L24 PolarHBondContact O-N 3.22Å; L22-S25 PolarHBondContact O-N 3.24Å; L22-I26 HydrophobicContact CD1-CD1 4.12Å; L22-I26 HydrophobicContact CD1-CG1 4.42Å; L22-I26 HydrophobicContact CG-CD1 3.98Å; L22-I26 WeakPolarHBondContact O-CG1 3.33Å; L22-I26 PolarHBondContact O-N 2.93Å
23	T	93.3	Very high	87.6	Confident	54 Å²	54	67.8 Å²	67.8	33%	0.331	35%	0.354	S	S	.	.	H	α-helix	trans	-61.2	-46.7	178.9	-55.4	0	0	0	0	110.7	T19 Q20 S25 I26 I27	T19-T23 WeakPolarHBondContact O-CB 3.3Å; T19-T23 PolarHBondContact O-N 3.26Å; T19-T23 PolarHBondContact O-OG1 3.3Å; Q20-T23 PolarHBondContact O-N 3.23Å; T23-S25 VanDerWaalsContact C-N 3.33Å; T23-S25 PolarHBondContact O-N 2.92Å; T23-I26 PolarHBondContact O-N 3.47Å; T23-I27 HydrophobicContact CG2-CD1 3.8Å; T23-I27 HydrophobicContact CG2-CG1 4.45Å; T23-I27 WeakPolarHBondContact O-CB 3.11Å; T23-I27 VanDerWaalsContact O-CG1 3.3Å; T23-I27 WeakPolarHBondContact O-CG1 3.36Å; T23-I27 PolarHBondContact O-N 3.29Å
24	L	94.6	Very high	89.9	Confident	53 Å²	53	60.5 Å²	60.5	28%	0.277	33%	0.33	S	S	.	.	H	α-helix	trans	-57.8	-45.6	175.3	177.8	64.9	0	0	0	111.5	Q20 L22 I27 T28 F287 Y290	Q20-L24 VanDerWaalsContact O-CB 3.29Å; Q20-L24 WeakPolarHBondContact O-CB 3.45Å; Q20-L24 PolarHBondContact O-N 3.35Å; L22-L24 PolarHBondContact O-N 3.22Å; L24-I27 PolarHBondContact O-N 3.21Å; L24-T28 VanDerWaalsContact O-CB 3.28Å; L24-T28 WeakPolarHBondContact O-CB 3.34Å; L24-T28 PolarHBondContact O-N 2.9Å; L24-T28 PolarHBondContact O-OG1 3.48Å; L24-F287 HydrophobicContact CD2-CE1 3.72Å; L24-F287 HydrophobicContact CD2-CZ 4.19Å; L24-Y290 HydrophobicContact CD2-CE2 4.31Å; L24-Y290 HydrophobicContact CG-CE2 4.11Å
25	S	96.3	Very high	91.8	Very high	25 Å²	25	56.2 Å²	56.2	18%	0.175	32%	0.321	C	S	.	.	H	α-helix	trans	-62.6	-46.3	179.1	-59.1	0	0	0	0	111.4	A21 L22 T23 T28 F29	A21-S25 WeakPolarHBondContact O-CB 3.42Å; A21-S25 PolarHBondContact O-N 2.94Å; A21-S25 PolarHBondContact O-OG 3.07Å; L22-S25 PolarHBondContact O-N 3.24Å; T23-S25 VanDerWaalsContact C-N 3.33Å; T23-S25 PolarHBondContact O-N 2.92Å; S25-T28 PolarHBondContact O-N 2.87Å; S25-F29 WeakPolarHBondContact O-CB 3.34Å; S25-F29 WeakPolarHBondContact O-CD2 3.23Å; S25-F29 PolarHBondContact O-N 3.01Å
26	I	96.6	Very high	93.5	Very high	87 Å²	87	56.2 Å²	56.2	45%	0.446	32%	0.32	S	S	.	.	H	α-helix	trans	-61.3	-49.3	177.8	-68.3	167.9	0	0	0	110.4	L22 T23 T28 C30	L22-I26 HydrophobicContact CD1-CD1 4.12Å; L22-I26 HydrophobicContact CD1-CG1 4.42Å; L22-I26 HydrophobicContact CG-CD1 3.98Å; L22-I26 WeakPolarHBondContact O-CG1 3.33Å; L22-I26 PolarHBondContact O-N 2.93Å; T23-I26 PolarHBondContact O-N 3.47Å; I26-T28 VanDerWaalsContact C-N 3.31Å; I26-T28 PolarHBondContact O-N 3.35Å; I26-C30 HydrophobicContact CG2-CB 4.43Å; I26-C30 WeakPolarHBondContact O-CA 3.47Å; I26-C30 WeakPolarHBondContact O-CB 3.38Å; I26-C30 PolarHBondContact O-N 3.35Å
27	I	96.6	Very high	94.2	Very high	84 Å²	84	54.6 Å²	54.6	43%	0.431	31%	0.309	S	S	.	.	I	π-helix	trans	-59.3	-46.1	178.9	-69.1	171.4	0	0	0	110.1	T23 L24 V31 V32	T23-I27 HydrophobicContact CG2-CD1 3.8Å; T23-I27 HydrophobicContact CG2-CG1 4.45Å; T23-I27 WeakPolarHBondContact O-CB 3.11Å; T23-I27 VanDerWaalsContact O-CG1 3.3Å; T23-I27 WeakPolarHBondContact O-CG1 3.36Å; T23-I27 PolarHBondContact O-N 3.29Å; L24-I27 PolarHBondContact O-N 3.21Å; I27-V31 CarbonylContact O-C 3.56Å; I27-V31 WeakPolarHBondContact O-CA 3.49Å; I27-V31 VanDerWaalsContact O-CB 3.29Å; I27-V31 WeakPolarHBondContact O-CB 3.25Å; I27-V31 PolarHBondContact O-N 3.25Å; I27-V31 VanDerWaalsContact O-N 3.17Å; I27-V32 HydrophobicContact CG2-CG2 3.89Å; I27-V32 PolarHBondContact O-N 3.47Å
28	T	96.9	Very high	94.6	Very high	16 Å²	16	55 Å²	55	10%	0.098	31%	0.306	C	S	.	.	I	π-helix	trans	-67.2	-57.2	-176.7	-52.7	0	0	0	0	111.6	L24 S25 I26 V32 L33 Y290	L24-T28 VanDerWaalsContact O-CB 3.28Å; L24-T28 WeakPolarHBondContact O-CB 3.34Å; L24-T28 PolarHBondContact O-N 2.9Å; L24-T28 PolarHBondContact O-OG1 3.48Å; S25-T28 PolarHBondContact O-N 2.87Å; I26-T28 VanDerWaalsContact C-N 3.31Å; I26-T28 PolarHBondContact O-N 3.35Å; T28-V32 PolarHBondContact O-N 3.32Å; T28-L33 HydrophobicContact CG2-CD1 4.1Å; T28-L33 HydrophobicContact CG2-CG 4.07Å; T28-L33 WeakPolarHBondContact O-CB 3.25Å; T28-L33 WeakPolarHBondContact O-CG 3.42Å; T28-L33 PolarHBondContact O-N 2.65Å; T28-Y290 WeakPolarHBondContact CB-OH 3.3Å; T28-Y290 HydrophobicContact CG2-CE2 4.1Å; T28-Y290 WeakPolarHBondContact CG2-OH 3.37Å; T28-Y290 PolarHBondContact OG1-OH 2.69Å
29	F	97.2	Very high	94.8	Very high	37 Å²	37	55.9 Å²	55.9	16%	0.162	31%	0.306	C	S	.	.	I	π-helix	trans	-85.3	-23.1	-168.3	-60.6	-65.1	0	0	0	113.5	S25 L33 P34 F45 Y290 V293 A294 L297	S25-F29 WeakPolarHBondContact O-CB 3.34Å; S25-F29 WeakPolarHBondContact O-CD2 3.23Å; S25-F29 PolarHBondContact O-N 3.01Å; F29-L33 HydrophobicContact CD1-CD1 3.68Å; F29-L33 HydrophobicContact CE1-CD1 3.94Å; F29-P34 WeakPolarHBondContact O-CD 3.47Å; F29-P34 WeakPolarHBondContact O-CG 3.37Å; F29-F45 WeakPolarHBondContact O-CZ 3.32Å; F29-Y290 AromaticContact CE2-CD2 3.46Å; F29-Y290 HydrophobicContact CE2-CD2 3.46Å; F29-Y290 VanDerWaalsContact CE2-CD2 3.46Å; F29-Y290 AromaticContact CE2-CE2 3.58Å; F29-Y290 HydrophobicContact CE2-CE2 3.58Å; F29-Y290 HydrophobicContact CE2-CG 4.4Å; F29-Y290 AromaticContact CZ-CD2 3.61Å; F29-Y290 HydrophobicContact CZ-CD2 3.61Å; F29-Y290 AromaticContact CZ-CE2 3.77Å; F29-Y290 HydrophobicContact CZ-CE2 3.77Å; F29-Y290 HydrophobicContact CZ-CG 4.16Å; F29-V293 HydrophobicContact CD1-CG1 4.23Å; F29-V293 HydrophobicContact CE1-CB 4.22Å; F29-V293 HydrophobicContact CE1-CG1 3.72Å; F29-V293 HydrophobicContact CZ-CB 4.23Å; F29-V293 HydrophobicContact CZ-CG1 4.05Å; F29-A294 HydrophobicContact CE1-CB 3.95Å; F29-A294 HydrophobicContact CZ-CB 4.4Å; F29-L297 HydrophobicContact CD1-CD1 3.6Å; F29-L297 HydrophobicContact CE1-CD1 4.04Å
30	C	96.6	Very high	95	Very high	88 Å²	88	57.4 Å²	57.4	60%	0.595	31%	0.312	S	S	*	.	I	π-helix	trans	-106.4	-15.7	-178.7	-51.8	0	0	0	0	113.6	I26	I26-C30 HydrophobicContact CG2-CB 4.43Å; I26-C30 WeakPolarHBondContact O-CA 3.47Å; I26-C30 WeakPolarHBondContact O-CB 3.38Å; I26-C30 PolarHBondContact O-N 3.35Å
31	V	96.9	Very high	95	Very high	72 Å²	72	57.2 Å²	57.2	44%	0.436	31%	0.312	S	S	.	.	I	π-helix	trans	-122.2	-65.1	-179.7	-172.7	0	0	0	0	111.3	I27 L35	I27-V31 CarbonylContact O-C 3.56Å; I27-V31 WeakPolarHBondContact O-CA 3.49Å; I27-V31 VanDerWaalsContact O-CB 3.29Å; I27-V31 WeakPolarHBondContact O-CB 3.25Å; I27-V31 PolarHBondContact O-N 3.25Å; I27-V31 VanDerWaalsContact O-N 3.17Å; V31-L35 HydrophobicContact CG1-CD1 3.79Å; V31-L35 VanDerWaalsContact O-CB 3.31Å; V31-L35 WeakPolarHBondContact O-CB 3.19Å; V31-L35 WeakPolarHBondContact O-CD1 3.48Å; V31-L35 WeakPolarHBondContact O-CG 3.33Å; V31-L35 PolarHBondContact O-N 2.62Å
32	V	97.3	Very high	94.8	Very high	67 Å²	67	58.7 Å²	58.7	41%	0.406	32%	0.315	S	S	.	.	I	π-helix	trans	-64.9	-57.8	-170.8	176.5	0	0	0	0	111.9	I27 T28 L35 C36	I27-V32 HydrophobicContact CG2-CG2 3.89Å; I27-V32 PolarHBondContact O-N 3.47Å; T28-V32 PolarHBondContact O-N 3.32Å; V32-L35 PolarHBondContact O-N 2.96Å; V32-L35 VanDerWaalsContact O-N 3.13Å; V32-C36 WeakPolarHBondContact O-CB 3.48Å; V32-C36 PolarHBondContact O-N 2.79Å; V32-C36 PolarHBondContact O-SG 3.46Å; V32-C36 VanDerWaalsContact O-SG 3.32Å
33	L	96.3	Very high	94.8	Very high	15 Å²	15	54.8 Å²	54.8	8%	0.079	30%	0.295	C	S	.	.	H	α-helix	trans	-62.8	-43.1	-178.1	-66.6	-179.4	0	0	0	112.7	T28 F29 L35 C36 C37 F45 A294 L297 I298	T28-L33 HydrophobicContact CG2-CD1 4.1Å; T28-L33 HydrophobicContact CG2-CG 4.07Å; T28-L33 WeakPolarHBondContact O-CB 3.25Å; T28-L33 WeakPolarHBondContact O-CG 3.42Å; T28-L33 PolarHBondContact O-N 2.65Å; F29-L33 HydrophobicContact CD1-CD1 3.68Å; F29-L33 HydrophobicContact CE1-CD1 3.94Å; L33-L35 VanDerWaalsContact C-N 3.31Å; L33-L35 PolarHBondContact O-N 3.44Å; L33-C36 PolarHBondContact O-N 3.17Å; L33-C37 WeakPolarHBondContact O-CA 3.4Å; L33-C37 WeakPolarHBondContact O-CB 3.48Å; L33-C37 PolarHBondContact O-N 3.47Å; L33-C37 PolarHBondContact O-SG 3.27Å; L33-F45 HydrophobicContact CB-CD2 3.91Å; L33-F45 HydrophobicContact CB-CE2 3.43Å; L33-F45 VanDerWaalsContact CB-CE2 3.43Å; L33-F45 HydrophobicContact CB-CZ 4.16Å; L33-F45 HydrophobicContact CD1-CE2 4.18Å; L33-F45 HydrophobicContact CG-CE2 4.46Å; L33-A294 HydrophobicContact CD1-CB 4.26Å; L33-L297 HydrophobicContact CD1-CD1 4.46Å; L33-I298 HydrophobicContact CD2-CD1 3.92Å; L33-I298 HydrophobicContact CD2-CG1 3.84Å
34	P	96	Very high	94.7	Very high	29 Å²	29	57.6 Å²	57.6	19%	0.188	30%	0.301	C	S	.	.	H	α-helix	trans	-55.8	-44	171	-27.7	34.8	0	0	0	113.3	F29 H38 F45	F29-P34 WeakPolarHBondContact O-CD 3.47Å; F29-P34 WeakPolarHBondContact O-CG 3.37Å; P34-H38 VanDerWaalsContact O-CB 3.25Å; P34-H38 WeakPolarHBondContact O-CB 3.31Å; P34-H38 PolarHBondContact O-N 3.37Å; P34-F45 HydrophobicContact CB-CD1 4.09Å; P34-F45 HydrophobicContact CB-CE1 4.45Å; P34-F45 HydrophobicContact CB-CG 4.43Å; P34-F45 HydrophobicContact CG-CD1 3.74Å; P34-F45 HydrophobicContact CG-CE1 3.61Å; P34-F45 HydrophobicContact CG-CG 4.3Å; P34-F45 HydrophobicContact CG-CZ 4.05Å
35	L	95.6	Very high	94.7	Very high	110 Å²	110	57.5 Å²	57.5	58%	0.576	30%	0.298	S	S	*	.	H	α-helix	trans	-71	-35.5	-179.8	-70.8	173.9	0	0	0	112.8	V31 V32 L33 H38	V31-L35 HydrophobicContact CG1-CD1 3.79Å; V31-L35 VanDerWaalsContact O-CB 3.31Å; V31-L35 WeakPolarHBondContact O-CB 3.19Å; V31-L35 WeakPolarHBondContact O-CD1 3.48Å; V31-L35 WeakPolarHBondContact O-CG 3.33Å; V31-L35 PolarHBondContact O-N 2.62Å; V32-L35 PolarHBondContact O-N 2.96Å; V32-L35 VanDerWaalsContact O-N 3.13Å; L33-L35 VanDerWaalsContact C-N 3.31Å; L33-L35 PolarHBondContact O-N 3.44Å; L35-H38 PolarHBondContact O-CE1 3.5Å; L35-H38 PolarHBondContact O-ND1 2.86Å
36	C	95.4	Very high	94.5	Very high	86 Å²	86	58 Å²	58	58%	0.581	30%	0.297	S	S	*	.	H	α-helix	trans	-82.5	-34.7	-179.5	-65.3	0	0	0	0	112.7	V32 L33	V32-C36 WeakPolarHBondContact O-CB 3.48Å; V32-C36 PolarHBondContact O-N 2.79Å; V32-C36 PolarHBondContact O-SG 3.46Å; V32-C36 VanDerWaalsContact O-SG 3.32Å; L33-C36 PolarHBondContact O-N 3.17Å
37	C	95.2	Very high	94.2	Very high	6 Å²	6	60.5 Å²	60.5	4%	0.041	30%	0.301	C	S	.	.	H	α-helix	trans	-103.7	-0.5	-169.3	-54.8	0	0	0	0	114.3	L33 R39 L40 S43 F45	L33-C37 WeakPolarHBondContact O-CA 3.4Å; L33-C37 WeakPolarHBondContact O-CB 3.48Å; L33-C37 PolarHBondContact O-N 3.47Å; L33-C37 PolarHBondContact O-SG 3.27Å; C37-R39 PolarHBondContact O-N 3.44Å; C37-L40 HydrophobicContact CB-CD1 4.03Å; C37-L40 HydrophobicContact CB-CG 4.5Å; C37-L40 PolarHBondContact O-N 3.01Å; C37-S43 WeakPolarHBondContact CB-OG 3.31Å; C37-F45 HydrophobicContact CB-CB 4.22Å; C37-F45 HydrophobicContact CB-CD2 4.23Å
38	H	93.4	Very high	93.7	Very high	36 Å²	36	62.6 Å²	62.6	17%	0.167	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-20.5	-178.1	66.6	-71.2	0	0	0	115.6	P34 L35 F45 R47 Y50	P34-H38 VanDerWaalsContact O-CB 3.25Å; P34-H38 WeakPolarHBondContact O-CB 3.31Å; P34-H38 PolarHBondContact O-N 3.37Å; L35-H38 PolarHBondContact O-CE1 3.5Å; L35-H38 PolarHBondContact O-ND1 2.86Å; H38-F45 WeakPolarHBondContact CA-O 3.44Å; H38-R47 HydrophobicContact CB-CG 4.23Å; H38-R47 PolarHBondContact O-N 2.83Å; H38-Y50 AromaticContact CD2-CE2 3.54Å; H38-Y50 AromaticContact CD2-CZ 3.78Å
39	R	92	Very high	93.4	Very high	161 Å²	161	67.1 Å²	67.1	61%	0.608	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.9	-5.3	177.3	-57.9	-170.8	-177.2	-163.9	-1.6	114	C37 L41 Y50	C37-R39 PolarHBondContact O-N 3.44Å; R39-L41 PolarHBondContact O-N 2.59Å; R39-Y50 HydrophobicContact CG-CD2 4.48Å; R39-Y50 HydrophobicContact CG-CE2 4.47Å
40	L	92.7	Very high	93.1	Very high	56 Å²	56	68.3 Å²	68.3	29%	0.293	34%	0.339	S	S	.	.	S	Bend	trans	-79.6	108.3	-179.9	-65.4	-177.5	0	0	0	109	C37 Y42 S43 F46 Y302	C37-L40 HydrophobicContact CB-CD1 4.03Å; C37-L40 HydrophobicContact CB-CG 4.5Å; C37-L40 PolarHBondContact O-N 3.01Å; L40-Y42 PolarHBondContact O-N 2.63Å; L40-S43 VanDerWaalsContact O-CB 3.31Å; L40-S43 WeakPolarHBondContact O-CB 3.43Å; L40-S43 PolarHBondContact O-N 2.92Å; L40-S43 VanDerWaalsContact O-N 3.08Å; L40-F46 WeakPolarHBondContact O-CB 3.47Å; L40-Y302 VanDerWaalsContact C-OH 3.29Å; L40-Y302 WeakPolarHBondContact CA-OH 3.37Å; L40-Y302 HydrophobicContact CB-CE2 3.76Å; L40-Y302 HydrophobicContact CD1-CD2 4.47Å; L40-Y302 HydrophobicContact CD1-CE2 4.32Å; L40-Y302 HydrophobicContact CD2-CE1 4.12Å; L40-Y302 HydrophobicContact CG-CE2 4.45Å
41	L	89	Confident	92.8	Very high	20 Å²	20	64.2 Å²	64.2	11%	0.105	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	134.6	174.8	-174.1	59.9	0	0	0	110	R39 S43 F46 L51 M54 Y302 L394 L395	R39-L41 PolarHBondContact O-N 2.59Å; L41-S43 VanDerWaalsContact C-N 3.26Å; L41-S43 PolarHBondContact O-N 2.76Å; L41-F46 HydrophobicContact CD1-CE1 4.26Å; L41-F46 HydrophobicContact CD1-CZ 4.19Å; L41-L51 HydrophobicContact CD1-CD1 4.47Å; L41-M54 HydrophobicContact CB-CE 3.74Å; L41-M54 HydrophobicContact CB-SD 4.38Å; L41-M54 HydrophobicContact CD1-CE 3.58Å; L41-M54 HydrophobicContact CD2-CE 4.02Å; L41-M54 HydrophobicContact CG-CE 3.95Å; L41-Y302 PolarHBondContact N-OH 3.48Å; L41-Y302 WeakPolarHBondContact O-CE2 3.39Å; L41-Y302 PolarHBondContact O-OH 2.89Å; L41-L394 HydrophobicContact CD2-CB 3.76Å; L41-L394 HydrophobicContact CD2-CD1 4.26Å; L41-L395 HydrophobicContact CD1-CD2 3.59Å; L41-L395 HydrophobicContact CD1-CG 4.19Å
42	Y	89.9	Confident	92.6	Very high	43 Å²	43	64.5 Å²	64.5	17%	0.169	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	-5.2	-175.8	-43.6	-57.4	0	0	0	117.8	L40 E236 R237 R240 H301 L394 L395	L40-Y42 PolarHBondContact O-N 2.63Å; Y42-E236 HydrophobicContact CD2-CB 3.91Å; Y42-E236 HydrophobicContact CE2-CB 3.83Å; Y42-R237 HydrophobicContact CD1-CB 3.62Å; Y42-R237 HydrophobicContact CE1-CB 3.57Å; Y42-R237 HydrophobicContact CG-CB 4.2Å; Y42-R240 PolarHBondContact O-NH2 3.17Å; Y42-H301 AromaticContact CD2-NE2 3.88Å; Y42-L394 PolarHBondContact OH-O 3.46Å; Y42-L395 HydrophobicContact CD1-CD2 3.91Å; Y42-L395 HydrophobicContact CE1-CD2 3.38Å
43	S	92.9	Very high	92.4	Very high	6 Å²	6	64.4 Å²	64.4	4%	0.042	31%	0.313	C	S	.	.	S	Bend	trans	-64.1	149.6	163.9	174.4	0	0	0	0	110.4	C37 L40 L41 F45 F46 L297 I298	C37-S43 WeakPolarHBondContact CB-OG 3.31Å; L40-S43 VanDerWaalsContact O-CB 3.31Å; L40-S43 WeakPolarHBondContact O-CB 3.43Å; L40-S43 PolarHBondContact O-N 2.92Å; L40-S43 VanDerWaalsContact O-N 3.08Å; L41-S43 VanDerWaalsContact C-N 3.26Å; L41-S43 PolarHBondContact O-N 2.76Å; S43-F45 PolarHBondContact O-N 3.22Å; S43-F45 PolarHBondContact OG-N 3.34Å; S43-F46 VanDerWaalsContact O-CB 3.3Å; S43-F46 WeakPolarHBondContact O-CB 3.34Å; S43-F46 PolarHBondContact O-N 2.92Å; S43-F46 VanDerWaalsContact O-N 3.16Å; S43-L297 PolarHBondContact OG-O 3.39Å; S43-I298 WeakPolarHBondContact CB-O 3.21Å
44	Y	91.9	Very high	92.2	Very high	113 Å²	113	65.4 Å²	65.4	44%	0.443	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-20.9	173.9	-81.9	-100.9	0	0	0	113.3	R240 E296 L297	Y44-R240 PolarHBondContact OH-NH1 3.08Å; Y44-E296 WeakPolarHBondContact CD2-O 3.42Å; Y44-E296 HydrophobicContact CE2-CG 4.19Å; Y44-E296 PolarHBondContact OH-OE1 3.06Å; Y44-L297 HydrophobicContact CD1-CD2 4.3Å; Y44-L297 HydrophobicContact CD2-CD2 4.22Å; Y44-L297 HydrophobicContact CG-CD2 3.81Å; Y44-L297 PolarHBondContact N-O 3.32Å; Y44-L297 VanDerWaalsContact N-O 3.1Å
45	F	93.4	Very high	92.1	Very high	50 Å²	50	64.1 Å²	64.1	22%	0.219	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-0.3	178.3	-62.6	-64.8	0	0	0	113.8	F29 L33 P34 C37 H38 S43 R47 L297	F29-F45 WeakPolarHBondContact O-CZ 3.32Å; L33-F45 HydrophobicContact CB-CD2 3.91Å; L33-F45 HydrophobicContact CB-CE2 3.43Å; L33-F45 VanDerWaalsContact CB-CE2 3.43Å; L33-F45 HydrophobicContact CB-CZ 4.16Å; L33-F45 HydrophobicContact CD1-CE2 4.18Å; L33-F45 HydrophobicContact CG-CE2 4.46Å; P34-F45 HydrophobicContact CB-CD1 4.09Å; P34-F45 HydrophobicContact CB-CE1 4.45Å; P34-F45 HydrophobicContact CB-CG 4.43Å; P34-F45 HydrophobicContact CG-CD1 3.74Å; P34-F45 HydrophobicContact CG-CE1 3.61Å; P34-F45 HydrophobicContact CG-CG 4.3Å; P34-F45 HydrophobicContact CG-CZ 4.05Å; C37-F45 HydrophobicContact CB-CB 4.22Å; C37-F45 HydrophobicContact CB-CD2 4.23Å; H38-F45 WeakPolarHBondContact CA-O 3.44Å; S43-F45 PolarHBondContact O-N 3.22Å; S43-F45 PolarHBondContact OG-N 3.34Å; F45-R47 PolarHBondContact O-N 3.11Å; F45-L297 HydrophobicContact CD2-CB 4.5Å; F45-L297 HydrophobicContact CE2-CB 3.83Å; F45-L297 HydrophobicContact CE2-CD1 4.02Å; F45-L297 HydrophobicContact CE2-CD2 4.49Å; F45-L297 HydrophobicContact CE2-CG 4.34Å; F45-L297 HydrophobicContact CZ-CD1 3.99Å
46	F	92.7	Very high	92	Very high	36 Å²	36	62.8 Å²	62.8	16%	0.158	30%	0.302	C	S	.	.			trans	-56.7	125.1	-178.3	179.9	-107.7	0	0	0	111.4	L40 L41 S43 L51 M54	L40-F46 WeakPolarHBondContact O-CB 3.47Å; L41-F46 HydrophobicContact CD1-CE1 4.26Å; L41-F46 HydrophobicContact CD1-CZ 4.19Å; S43-F46 VanDerWaalsContact O-CB 3.3Å; S43-F46 WeakPolarHBondContact O-CB 3.34Å; S43-F46 PolarHBondContact O-N 2.92Å; S43-F46 VanDerWaalsContact O-N 3.16Å; F46-L51 HydrophobicContact CE1-CB 4.2Å; F46-L51 HydrophobicContact CZ-CB 4.21Å; F46-M54 HydrophobicContact CE2-CE 3.66Å; F46-M54 HydrophobicContact CE2-SD 4.35Å; F46-M54 HydrophobicContact CZ-CE 3.62Å
47	R	89.9	Confident	92	Very high	139 Å²	139	65.2 Å²	65.2	53%	0.525	31%	0.305	S	S	.	.			trans	-89.4	119.3	176	-63	-175.6	-178.6	-176.3	-0.9	110	H38 F45 T49 Y50	H38-R47 HydrophobicContact CB-CG 4.23Å; H38-R47 PolarHBondContact O-N 2.83Å; F45-R47 PolarHBondContact O-N 3.11Å; R47-T49 PolarHBondContact O-N 3.42Å; R47-Y50 HydrophobicContact CB-CD2 3.72Å; R47-Y50 HydrophobicContact CB-CE2 3.77Å; R47-Y50 HydrophobicContact CG-CE2 4.34Å; R47-Y50 WeakPolarHBondContact O-CD2 3.38Å; R47-Y50 PolarHBondContact O-N 3.34Å
48	F	87.3	Confident	91.9	Very high	129 Å²	129	68.1 Å²	68.1	57%	0.566	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-22.4	-179.7	-166.6	-95.5	0	0	0	113.9	Y50 L51 L395	F48-Y50 PolarHBondContact O-N 3.43Å; F48-L51 HydrophobicContact CD2-CB 4.42Å; F48-L51 HydrophobicContact CD2-CD2 3.87Å; F48-L51 HydrophobicContact CE1-CD2 4.38Å; F48-L51 HydrophobicContact CE2-CD2 3.26Å; F48-L51 HydrophobicContact CZ-CD2 3.56Å; F48-L51 VanDerWaalsContact O-CB 3.25Å; F48-L51 WeakPolarHBondContact O-CB 3.34Å; F48-L51 PolarHBondContact O-N 2.73Å; F48-L395 HydrophobicContact CD2-CD1 4.4Å; F48-L395 HydrophobicContact CE2-CD1 4.13Å
49	T	89.9	Confident	92	Very high	111 Å²	111	67.6 Å²	67.6	68%	0.681	32%	0.321	S	S	*	.	H	α-helix	trans	-57.3	-28.9	173.5	52.7	0	0	0	0	113.2	R47	R47-T49 PolarHBondContact O-N 3.42Å
50	Y	90.1	Very high	92.2	Very high	61 Å²	61	64.6 Å²	64.6	24%	0.239	31%	0.314	C	S	.	.	H	α-helix	trans	-83	-12	176.6	-61.5	-69.6	0	0	0	113.5	H38 R39 R47 F48 N52 S53 M54	H38-Y50 AromaticContact CD2-CE2 3.54Å; H38-Y50 AromaticContact CD2-CZ 3.78Å; R39-Y50 HydrophobicContact CG-CD2 4.48Å; R39-Y50 HydrophobicContact CG-CE2 4.47Å; R47-Y50 HydrophobicContact CB-CD2 3.72Å; R47-Y50 HydrophobicContact CB-CE2 3.77Å; R47-Y50 HydrophobicContact CG-CE2 4.34Å; R47-Y50 WeakPolarHBondContact O-CD2 3.38Å; R47-Y50 PolarHBondContact O-N 3.34Å; F48-Y50 PolarHBondContact O-N 3.43Å; Y50-N52 VanDerWaalsContact C-N 3.32Å; Y50-N52 PolarHBondContact O-N 3.26Å; Y50-S53 PolarHBondContact O-N 3.03Å; Y50-S53 PolarHBondContact O-OG 3.43Å; Y50-M54 WeakPolarHBondContact O-CB 2.96Å; Y50-M54 PolarHBondContact O-N 3.21Å
51	L	91	Very high	92.3	Very high	2 Å²	2	68 Å²	68	1%	0.01	33%	0.326	C	S	.	.	H	α-helix	trans	-60.9	-43.5	-173.2	-179.8	63	0	0	0	111.8	L41 F46 F48 S55 K393 L394 L395	L41-L51 HydrophobicContact CD1-CD1 4.47Å; F46-L51 HydrophobicContact CE1-CB 4.2Å; F46-L51 HydrophobicContact CZ-CB 4.21Å; F48-L51 HydrophobicContact CD2-CB 4.42Å; F48-L51 HydrophobicContact CD2-CD2 3.87Å; F48-L51 HydrophobicContact CE1-CD2 4.38Å; F48-L51 HydrophobicContact CE2-CD2 3.26Å; F48-L51 HydrophobicContact CZ-CD2 3.56Å; F48-L51 VanDerWaalsContact O-CB 3.25Å; F48-L51 WeakPolarHBondContact O-CB 3.34Å; F48-L51 PolarHBondContact O-N 2.73Å; L51-S55 VanDerWaalsContact O-CB 3.23Å; L51-S55 WeakPolarHBondContact O-CB 3.27Å; L51-S55 PolarHBondContact O-N 2.99Å; L51-S55 PolarHBondContact O-OG 2.89Å; L51-K393 HydrophobicContact CD2-CB 4.42Å; L51-K393 HydrophobicContact CD2-CD 3.88Å; L51-K393 HydrophobicContact CG-CB 4.47Å; L51-K393 HydrophobicContact CG-CD 4.24Å; L51-L394 HydrophobicContact CD1-CB 4.25Å; L51-L395 HydrophobicContact CD1-CD1 3.98Å; L51-L395 HydrophobicContact CD1-CG 3.75Å; L51-L395 HydrophobicContact CD2-CB 4.46Å; L51-L395 HydrophobicContact CD2-CD1 3.58Å; L51-L395 HydrophobicContact CD2-CG 4.06Å; L51-L395 HydrophobicContact CG-CD1 4.39Å
52	N	91.7	Very high	92.6	Very high	78 Å²	78	67.3 Å²	67.3	42%	0.417	32%	0.323	S	S	.	.	H	α-helix	trans	-64.7	-53.3	-179.6	-65.5	-21.8	0	0	0	110.4	Y50 M54 S55 D56 K393	Y50-N52 VanDerWaalsContact C-N 3.32Å; Y50-N52 PolarHBondContact O-N 3.26Å; N52-M54 VanDerWaalsContact C-N 3.31Å; N52-M54 PolarHBondContact O-N 3.29Å; N52-S55 PolarHBondContact O-N 2.82Å; N52-S55 VanDerWaalsContact O-N 3.15Å; N52-D56 WeakPolarHBondContact O-CB 3.31Å; N52-D56 PolarHBondContact O-N 3.14Å; N52-K393 VanDerWaalsContact OD1-CE 3.3Å; N52-K393 WeakPolarHBondContact OD1-CE 3.43Å; N52-K393 PolarHBondContact OD1-NZ 3.24Å
53	S	93.5	Very high	92.9	Very high	66 Å²	66	67.8 Å²	67.8	46%	0.462	33%	0.328	S	S	.	.	H	α-helix	trans	-60.9	-39.7	-179.1	59.3	0	0	0	0	112.7	Y50 D56 E57	Y50-S53 PolarHBondContact O-N 3.03Å; Y50-S53 PolarHBondContact O-OG 3.43Å; S53-D56 PolarHBondContact O-N 2.92Å; S53-E57 WeakPolarHBondContact O-CB 3.49Å; S53-E57 PolarHBondContact O-N 3.39Å
54	M	93.6	Very high	93.2	Very high	36 Å²	36	72.3 Å²	72.3	18%	0.177	35%	0.349	C	S	.	.	H	α-helix	trans	-71.6	-35.7	178.3	-170.5	175.4	63.3	0	0	111.8	L41 F46 Y50 N52 E57 V58 L394	L41-M54 HydrophobicContact CB-CE 3.74Å; L41-M54 HydrophobicContact CB-SD 4.38Å; L41-M54 HydrophobicContact CD1-CE 3.58Å; L41-M54 HydrophobicContact CD2-CE 4.02Å; L41-M54 HydrophobicContact CG-CE 3.95Å; F46-M54 HydrophobicContact CE2-CE 3.66Å; F46-M54 HydrophobicContact CE2-SD 4.35Å; F46-M54 HydrophobicContact CZ-CE 3.62Å; Y50-M54 WeakPolarHBondContact O-CB 2.96Å; Y50-M54 PolarHBondContact O-N 3.21Å; N52-M54 VanDerWaalsContact C-N 3.31Å; N52-M54 PolarHBondContact O-N 3.29Å; M54-E57 PolarHBondContact O-N 3.11Å; M54-V58 WeakPolarHBondContact O-CG2 3.4Å; M54-V58 PolarHBondContact O-N 3.43Å; M54-L394 HydrophobicContact CB-CD1 4.24Å; M54-L394 HydrophobicContact CE-CD1 3.75Å; M54-L394 HydrophobicContact CG-CD1 3.69Å; M54-L394 HydrophobicContact SD-CD1 4.34Å
55	S	93.4	Very high	93.4	Very high	2 Å²	2	70.7 Å²	70.7	1%	0.014	34%	0.342	C	S	.	.	H	α-helix	trans	-65.8	-44.3	173.3	-57.4	0	0	0	0	110.6	L51 N52 E57 V58 L59 K393 L394	L51-S55 VanDerWaalsContact O-CB 3.23Å; L51-S55 WeakPolarHBondContact O-CB 3.27Å; L51-S55 PolarHBondContact O-N 2.99Å; L51-S55 PolarHBondContact O-OG 2.89Å; N52-S55 PolarHBondContact O-N 2.82Å; N52-S55 VanDerWaalsContact O-N 3.15Å; S55-E57 VanDerWaalsContact C-N 3.34Å; S55-E57 PolarHBondContact O-N 2.88Å; S55-V58 PolarHBondContact O-N 2.72Å; S55-L59 WeakPolarHBondContact O-CB 3.38Å; S55-L59 VanDerWaalsContact O-CG 3.23Å; S55-L59 WeakPolarHBondContact O-CG 3.46Å; S55-L59 PolarHBondContact O-N 3.01Å; S55-K393 WeakPolarHBondContact OG-CA 3.22Å; S55-L394 PolarHBondContact OG-N 3.42Å
56	D	93.9	Very high	93.6	Very high	81 Å²	81	68.3 Å²	68.3	43%	0.433	33%	0.332	S	S	.	.	H	α-helix	trans	-62	-41.9	177	-64.7	-24.7	0	0	0	111.2	N52 S53 L59 Q60	N52-D56 WeakPolarHBondContact O-CB 3.31Å; N52-D56 PolarHBondContact O-N 3.14Å; S53-D56 PolarHBondContact O-N 2.92Å; D56-L59 PolarHBondContact O-N 3.09Å; D56-Q60 VanDerWaalsContact O-CB 3.31Å; D56-Q60 WeakPolarHBondContact O-CB 3.26Å; D56-Q60 PolarHBondContact O-N 2.96Å
57	E	94.8	Very high	93.8	Very high	137 Å²	137	70.5 Å²	70.5	64%	0.64	34%	0.342	S	S	*	.	H	α-helix	trans	-62.9	-44.9	175.5	-174.6	-177.9	171	0	0	112.2	S53 M54 S55 Q60 K61	S53-E57 WeakPolarHBondContact O-CB 3.49Å; S53-E57 PolarHBondContact O-N 3.39Å; M54-E57 PolarHBondContact O-N 3.11Å; S55-E57 VanDerWaalsContact C-N 3.34Å; S55-E57 PolarHBondContact O-N 2.88Å; E57-Q60 PolarHBondContact O-N 3.4Å; E57-K61 WeakPolarHBondContact O-CB 3.18Å; E57-K61 PolarHBondContact O-N 3.44Å
58	V	93.3	Very high	94.1	Very high	68 Å²	68	69 Å²	69	41%	0.412	34%	0.341	S	S	.	.	H	α-helix	trans	-66.1	-39.8	177.3	172	0	0	0	0	111.3	M54 S55 K61 S62 L394	M54-V58 WeakPolarHBondContact O-CG2 3.4Å; M54-V58 PolarHBondContact O-N 3.43Å; S55-V58 PolarHBondContact O-N 2.72Å; V58-K61 PolarHBondContact O-N 3.3Å; V58-S62 VanDerWaalsContact O-CB 3.26Å; V58-S62 WeakPolarHBondContact O-CB 3.04Å; V58-S62 PolarHBondContact O-N 2.91Å; V58-L394 HydrophobicContact CB-CD1 4.3Å; V58-L394 HydrophobicContact CB-CD2 3.96Å; V58-L394 HydrophobicContact CG1-CD2 3.8Å; V58-L394 HydrophobicContact CG2-CD1 3.82Å; V58-L394 HydrophobicContact CG2-CD2 4.03Å
59	L	94.6	Very high	94.5	Very high	25 Å²	25	62.9 Å²	62.9	13%	0.131	31%	0.314	C	S	.	.	H	α-helix	trans	-63	-47.5	175.1	-72.7	172.2	0	0	0	111	S55 D56 K61 S62 L63 F108 A381 Y382 P392	S55-L59 WeakPolarHBondContact O-CB 3.38Å; S55-L59 VanDerWaalsContact O-CG 3.23Å; S55-L59 WeakPolarHBondContact O-CG 3.46Å; S55-L59 PolarHBondContact O-N 3.01Å; D56-L59 PolarHBondContact O-N 3.09Å; L59-K61 PolarHBondContact O-N 3.17Å; L59-S62 PolarHBondContact O-N 3.35Å; L59-S62 VanDerWaalsContact O-N 3.16Å; L59-L63 WeakPolarHBondContact O-CB 3.36Å; L59-L63 PolarHBondContact O-N 3.16Å; L59-F108 HydrophobicContact CB-CE1 4.24Å; L59-F108 HydrophobicContact CB-CZ 4.42Å; L59-F108 HydrophobicContact CD2-CE1 3.82Å; L59-F108 HydrophobicContact CD2-CZ 3.94Å; L59-F108 VanDerWaalsContact O-CE1 3.31Å; L59-F108 WeakPolarHBondContact O-CE1 3.3Å; L59-A381 HydrophobicContact CD2-CB 3.4Å; L59-A381 VanDerWaalsContact CD2-CB 3.4Å; L59-Y382 HydrophobicContact CD2-CE2 4.32Å; L59-P392 HydrophobicContact CD1-CG 4.09Å; L59-P392 HydrophobicContact CD2-CG 4.03Å
60	Q	95.9	Very high	94.8	Very high	97 Å²	97	58.9 Å²	58.9	45%	0.453	29%	0.289	S	S	.	.	H	α-helix	trans	-58.6	-47.6	178	-177.6	61.3	24.7	0	0	111.3	D56 E57 S62 L63 E64	D56-Q60 VanDerWaalsContact O-CB 3.31Å; D56-Q60 WeakPolarHBondContact O-CB 3.26Å; D56-Q60 PolarHBondContact O-N 2.96Å; E57-Q60 PolarHBondContact O-N 3.4Å; Q60-S62 VanDerWaalsContact C-N 3.29Å; Q60-S62 PolarHBondContact O-N 3.42Å; Q60-L63 WeakPolarHBondContact O-CB 3.45Å; Q60-L63 PolarHBondContact O-N 3.25Å; Q60-E64 WeakPolarHBondContact CG-OE1 3.31Å; Q60-E64 PolarHBondContact NE2-OE1 2.92Å; Q60-E64 WeakPolarHBondContact O-CG 3.48Å; Q60-E64 PolarHBondContact O-N 2.87Å
61	K	95.8	Very high	95	Very high	127 Å²	127	61.9 Å²	61.9	55%	0.552	31%	0.305	S	S	*	.	H	α-helix	trans	-64.1	-34.4	177.5	-172.9	175.5	-176.5	174.7	0	112.8	E57 V58 L59 R65	E57-K61 WeakPolarHBondContact O-CB 3.18Å; E57-K61 PolarHBondContact O-N 3.44Å; V58-K61 PolarHBondContact O-N 3.3Å; L59-K61 PolarHBondContact O-N 3.17Å; K61-R65 WeakPolarHBondContact O-CB 3.37Å; K61-R65 PolarHBondContact O-N 2.8Å; K61-R65 VanDerWaalsContact O-N 3.14Å
62	S	95.6	Very high	95.1	Very high	7 Å²	7	66 Å²	66	5%	0.049	32%	0.322	C	S	.	.	H	α-helix	trans	-70.2	-41.1	176	-170.2	0	0	0	0	111.2	V58 L59 Q60 R65 G66 Q113	V58-S62 VanDerWaalsContact O-CB 3.26Å; V58-S62 WeakPolarHBondContact O-CB 3.04Å; V58-S62 PolarHBondContact O-N 2.91Å; L59-S62 PolarHBondContact O-N 3.35Å; L59-S62 VanDerWaalsContact O-N 3.16Å; Q60-S62 VanDerWaalsContact C-N 3.29Å; Q60-S62 PolarHBondContact O-N 3.42Å; S62-R65 PolarHBondContact O-N 3.37Å; S62-G66 PolarHBondContact O-N 3.16Å; S62-Q113 PolarHBondContact O-NE2 3.34Å
63	L	96.5	Very high	95.2	Very high	52 Å²	52	63 Å²	63	27%	0.272	31%	0.306	S	S	.	.	H	α-helix	trans	-61.8	-50	175.2	179.8	63.8	0	0	0	111.1	L59 Q60 R65 G66 Q67 D107 F108	L59-L63 WeakPolarHBondContact O-CB 3.36Å; L59-L63 PolarHBondContact O-N 3.16Å; Q60-L63 WeakPolarHBondContact O-CB 3.45Å; Q60-L63 PolarHBondContact O-N 3.25Å; L63-R65 VanDerWaalsContact C-N 3.33Å; L63-R65 PolarHBondContact O-N 3.23Å; L63-G66 WeakPolarHBondContact O-CA 3.4Å; L63-G66 PolarHBondContact O-N 3.43Å; L63-G66 VanDerWaalsContact O-N 3.11Å; L63-Q67 HydrophobicContact CD1-CG 4.42Å; L63-Q67 WeakPolarHBondContact O-CG 3.06Å; L63-Q67 PolarHBondContact O-N 3.16Å; L63-D107 HydrophobicContact CD1-CB 3.8Å; L63-D107 WeakPolarHBondContact CD1-O 3.4Å; L63-F108 HydrophobicContact CB-CD1 4.25Å; L63-F108 HydrophobicContact CB-CE1 4.05Å
64	E	97.4	Very high	95.1	Very high	101 Å²	101	65.8 Å²	65.8	47%	0.472	31%	0.311	S	S	.	.	H	α-helix	trans	-55.9	-47.9	176.8	-74.2	168.5	-170.8	0	0	111.4	Q60 G66 Q67 E68	Q60-E64 WeakPolarHBondContact CG-OE1 3.31Å; Q60-E64 PolarHBondContact NE2-OE1 2.92Å; Q60-E64 WeakPolarHBondContact O-CG 3.48Å; Q60-E64 PolarHBondContact O-N 2.87Å; E64-G66 VanDerWaalsContact C-N 3.31Å; E64-G66 PolarHBondContact O-N 2.84Å; E64-Q67 PolarHBondContact O-N 3.08Å; E64-E68 WeakPolarHBondContact O-CG 3.49Å; E64-E68 PolarHBondContact O-N 3.23Å
65	R	96.8	Very high	94.7	Very high	80 Å²	80	67.6 Å²	67.6	30%	0.302	33%	0.327	S	S	.	.	H	α-helix	trans	-62.7	-37.6	176.9	-165.7	179.6	-37.5	166.3	10.5	112.7	K61 S62 L63 A69 Q113	K61-R65 WeakPolarHBondContact O-CB 3.37Å; K61-R65 PolarHBondContact O-N 2.8Å; K61-R65 VanDerWaalsContact O-N 3.14Å; S62-R65 PolarHBondContact O-N 3.37Å; L63-R65 VanDerWaalsContact C-N 3.33Å; L63-R65 PolarHBondContact O-N 3.23Å; R65-A69 WeakPolarHBondContact O-CB 3.4Å; R65-A69 PolarHBondContact O-N 2.87Å; R65-Q113 VanDerWaalsContact CD-OE1 3.23Å; R65-Q113 HydrophobicContact CG-CG 4.2Å
66	G	96.9	Very high	93.4	Very high	0 Å²	0	69 Å²	69	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-60.7	-48	174.3	0	0	0	0	0	112.3	S62 L63 E64 A69 L70 F108	S62-G66 PolarHBondContact O-N 3.16Å; L63-G66 WeakPolarHBondContact O-CA 3.4Å; L63-G66 PolarHBondContact O-N 3.43Å; L63-G66 VanDerWaalsContact O-N 3.11Å; E64-G66 VanDerWaalsContact C-N 3.31Å; E64-G66 PolarHBondContact O-N 2.84Å; G66-A69 PolarHBondContact O-N 3.08Å; G66-L70 PolarHBondContact O-N 2.84Å; G66-F108 WeakPolarHBondContact CA-O 3.46Å
67	Q	97.3	Very high	91.5	Very high	81 Å²	81	69.7 Å²	69.7	38%	0.379	35%	0.354	S	S	.	.	H	α-helix	trans	-66.4	-40.3	178.4	-66.1	-57.6	-47.4	0	0	112.2	L63 E64 A69 L70 H71 D107	L63-Q67 HydrophobicContact CD1-CG 4.42Å; L63-Q67 WeakPolarHBondContact O-CG 3.06Å; L63-Q67 PolarHBondContact O-N 3.16Å; E64-Q67 PolarHBondContact O-N 3.08Å; Q67-A69 VanDerWaalsContact C-N 3.33Å; Q67-A69 PolarHBondContact O-N 3.17Å; Q67-L70 PolarHBondContact O-N 3.04Å; Q67-H71 PolarHBondContact O-N 3.27Å; Q67-D107 PolarHBondContact NE2-O 3.22Å
68	E	96.3	Very high	89.5	Confident	108 Å²	108	65.8 Å²	65.8	51%	0.505	34%	0.34	S	S	.	.	H	α-helix	trans	-62.3	-41	172.1	-72.2	-179.9	-170	0	0	112.3	E64 H71 F72 R116	E64-E68 WeakPolarHBondContact O-CG 3.49Å; E64-E68 PolarHBondContact O-N 3.23Å; E68-H71 PolarHBondContact O-N 3.33Å; E68-F72 VanDerWaalsContact O-CB 3.3Å; E68-F72 WeakPolarHBondContact O-CB 3.46Å; E68-F72 PolarHBondContact O-N 3.49Å; E68-R116 IonicContact OE2-CZ 3.99Å; E68-R116 IonicContact OE2-NH1 3.79Å; E68-R116 PolarHBondContact OE2-NH1 2.87Å; E68-R116 IonicContact OE2-NH2 3.91Å
69	A	95.9	Very high	87.2	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-65.8	-40.8	177.2	0	0	0	0	0	111.3	R65 G66 Q67 F72 W73 L112 Q113 R116	R65-A69 WeakPolarHBondContact O-CB 3.4Å; R65-A69 PolarHBondContact O-N 2.87Å; G66-A69 PolarHBondContact O-N 3.08Å; Q67-A69 VanDerWaalsContact C-N 3.33Å; Q67-A69 PolarHBondContact O-N 3.17Å; A69-F72 WeakPolarHBondContact O-CB 3.38Å; A69-F72 PolarHBondContact O-N 2.68Å; A69-W73 PolarHBondContact O-N 2.76Å; A69-L112 HydrophobicContact CB-CB 3.9Å; A69-Q113 HydrophobicContact CB-CG 4.23Å; A69-R116 HydrophobicContact CB-CB 4.46Å
70	L	96.3	Very high	85.1	Confident	28 Å²	28	76.7 Å²	76.7	15%	0.147	39%	0.387	C	S	.	.	H	α-helix	trans	-58	-51.8	172.8	179.7	67.2	0	0	0	111.2	G66 Q67 F72 W73 Q74 L112 L150	G66-L70 PolarHBondContact O-N 2.84Å; Q67-L70 PolarHBondContact O-N 3.04Å; L70-F72 VanDerWaalsContact C-N 3.3Å; L70-F72 PolarHBondContact O-N 3.49Å; L70-W73 PolarHBondContact O-N 2.68Å; L70-Q74 HydrophobicContact CD1-CG 4.2Å; L70-Q74 HydrophobicContact CG-CG 4.4Å; L70-Q74 WeakPolarHBondContact O-CB 3.37Å; L70-Q74 WeakPolarHBondContact O-CG 3.02Å; L70-Q74 PolarHBondContact O-N 2.88Å; L70-L112 HydrophobicContact CB-CD1 4.03Å; L70-L112 HydrophobicContact CD1-CD1 3.64Å; L70-L112 HydrophobicContact CG-CD1 4.48Å; L70-L150 HydrophobicContact CD1-CD2 3.87Å
71	H	95.1	Very high	82.7	Confident	123 Å²	123	76.2 Å²	76.2	57%	0.569	40%	0.395	S	S	*	.	H	α-helix	trans	-59.9	-41.9	178.1	-177.9	-81.4	0	0	0	111.6	Q67 E68 W73 Q74 S75	Q67-H71 PolarHBondContact O-N 3.27Å; E68-H71 PolarHBondContact O-N 3.33Å; H71-W73 PolarHBondContact O-N 3.41Å; H71-Q74 PolarHBondContact O-N 2.77Å; H71-S75 PolarHBondContact ND1-OG 2.93Å; H71-S75 VanDerWaalsContact O-CB 3.24Å; H71-S75 WeakPolarHBondContact O-CB 3.26Å; H71-S75 PolarHBondContact O-N 2.61Å; H71-S75 PolarHBondContact O-OG 3.37Å
72	F	93.1	Very high	80.7	Confident	88 Å²	88	73.1 Å²	73.1	39%	0.386	39%	0.387	S	S	.	.	H	α-helix	trans	-56.1	-47.5	176.8	172.9	-94.5	0	0	0	112	E68 A69 L70 G76 R116	E68-F72 VanDerWaalsContact O-CB 3.3Å; E68-F72 WeakPolarHBondContact O-CB 3.46Å; E68-F72 PolarHBondContact O-N 3.49Å; A69-F72 WeakPolarHBondContact O-CB 3.38Å; A69-F72 PolarHBondContact O-N 2.68Å; L70-F72 VanDerWaalsContact C-N 3.3Å; L70-F72 PolarHBondContact O-N 3.49Å; F72-G76 PolarHBondContact O-N 3.43Å; F72-G76 VanDerWaalsContact O-N 3.08Å; F72-R116 HydrophobicContact CD1-CB 4.43Å; F72-R116 HydrophobicContact CD1-CG 4.01Å; F72-R116 HydrophobicContact CE1-CG 4.19Å; F72-R116 HydrophobicContact CG-CG 4.36Å
73	W	92.6	Very high	79.2	Confident	16 Å²	16	77.7 Å²	77.7	6%	0.061	40%	0.403	C	S	.	.	H	α-helix	trans	-75.7	-29.6	-179.7	-66.5	117.8	0	0	0	113.5	A69 L70 H71 L112 M115 R116 L150 L151 H154 F155	A69-W73 PolarHBondContact O-N 2.76Å; L70-W73 PolarHBondContact O-N 2.68Å; H71-W73 PolarHBondContact O-N 3.41Å; W73-L112 PolarHBondContact NE1-O 2.67Å; W73-M115 HydrophobicContact CZ2-CB 4.17Å; W73-R116 HydrophobicContact CZ2-CB 4.27Å; W73-L150 HydrophobicContact CB-CD2 3.74Å; W73-L150 HydrophobicContact CB-CG 4.07Å; W73-L151 HydrophobicContact CD2-CD2 3.72Å; W73-L151 HydrophobicContact CE3-CD2 4.13Å; W73-L151 HydrophobicContact CG-CD2 4.06Å; W73-L151 HydrophobicContact CH2-CD2 4.48Å; W73-L151 HydrophobicContact CZ2-CD2 4.06Å; W73-H154 HydrophobicContact CE3-CB 4.41Å; W73-H154 AromaticContact CE3-CD2 3.8Å; W73-H154 AromaticContact CE3-CG 3.83Å; W73-H154 AromaticContact CE3-NE2 3.98Å; W73-H154 HydrophobicContact CZ3-CB 3.92Å; W73-H154 AromaticContact CZ3-CG 3.7Å; W73-H154 AromaticContact CZ3-ND1 3.82Å; W73-F155 AromaticContact CH2-CE2 3.44Å; W73-F155 HydrophobicContact CH2-CE2 3.44Å; W73-F155 VanDerWaalsContact CH2-CE2 3.44Å; W73-F155 AromaticContact CH2-CZ 3.78Å; W73-F155 HydrophobicContact CH2-CZ 3.78Å; W73-F155 AromaticContact CZ2-CE2 3.92Å; W73-F155 HydrophobicContact CZ2-CE2 3.92Å; W73-F155 HydrophobicContact CZ2-CZ 4.28Å; W73-F155 AromaticContact CZ3-CE2 3.95Å; W73-F155 HydrophobicContact CZ3-CE2 3.95Å
74	Q	91.9	Very high	78	Confident	125 Å²	125	75.3 Å²	75.3	58%	0.584	39%	0.39	S	S	*	.	H	α-helix	trans	-75.7	-38.4	175.7	-73	177.8	-20.1	0	0	113.3	L70 H71 L150	L70-Q74 HydrophobicContact CD1-CG 4.2Å; L70-Q74 HydrophobicContact CG-CG 4.4Å; L70-Q74 WeakPolarHBondContact O-CB 3.37Å; L70-Q74 WeakPolarHBondContact O-CG 3.02Å; L70-Q74 PolarHBondContact O-N 2.88Å; H71-Q74 PolarHBondContact O-N 2.77Å; Q74-L150 HydrophobicContact CG-CD1 4.32Å; Q74-L150 HydrophobicContact CG-CD2 4.12Å
75	S	85.2	Confident	76.9	Confident	73 Å²	73	72.3 Å²	72.3	51%	0.51	38%	0.38	S	S	.	.	H	α-helix	trans	-85.1	-19.6	-177.5	62.1	0	0	0	0	113.4	H71 S77	H71-S75 PolarHBondContact ND1-OG 2.93Å; H71-S75 VanDerWaalsContact O-CB 3.24Å; H71-S75 WeakPolarHBondContact O-CB 3.26Å; H71-S75 PolarHBondContact O-N 2.61Å; H71-S75 PolarHBondContact O-OG 3.37Å; S75-S77 PolarHBondContact O-N 3.12Å
76	G	66.1	Low	76.1	Confident	32 Å²	32	74.7 Å²	74.7	33%	0.33	40%	0.399	S	S	.	.			trans	-65.7	103.8	177.3	0	0	0	0	0	111.6	F72	F72-G76 PolarHBondContact O-N 3.43Å; F72-G76 VanDerWaalsContact O-N 3.08Å
77	S	54.5	Low	75.5	Confident	96 Å²	96	75.8 Å²	75.8	67%	0.671	41%	0.406	S	S	*	.			trans	-54	136	150.5	174.8	0	0	0	0	107.2	S75 M79	S75-S77 PolarHBondContact O-N 3.12Å; S77-M79 PolarHBondContact O-N 3.44Å
78	P	51.6	Low	75.1	Confident	55 Å²	55	74 Å²	74	36%	0.357	41%	0.406	S	S	.	.			trans	-68	76.4	-179.9	28.6	-34.6	0	0	0	109.6	E80 R83	P78-E80 PolarHBondContact O-N 3.12Å; P78-R83 PolarHBondContact O-NH2 3.13Å
79	M	46.1	Very low	74.9	Confident	139 Å²	139	74.6 Å²	74.6	69%	0.685	41%	0.408	S	S	*	.			trans	-52.3	127.2	173	-81.6	-171.3	71	0	0	107.6	S77 S81	S77-M79 PolarHBondContact O-N 3.44Å; M79-S81 PolarHBondContact O-N 3.02Å
80	E	49.7	Very low	74.8	Confident	182 Å²	182	79.3 Å²	79.3	85%	0.85	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-13.2	-168.1	-66.5	176.6	146.2	0	0	114.3	P78	P78-E80 PolarHBondContact O-N 3.12Å
81	S	46.3	Very low	74.7	Confident	87 Å²	87	78.6 Å²	78.6	61%	0.608	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-12.4	-171.7	53.8	0	0	0	0	116.1	M79	M79-S81 PolarHBondContact O-N 3.02Å
82	T	53.5	Low	74.7	Confident	63 Å²	63	78.3 Å²	78.3	39%	0.387	43%	0.429	S	S	.	.			trans	-141.6	30.2	-173.1	47.4	0	0	0	0	115.2	F84	T82-F84 VanDerWaalsContact O-CD2 3.25Å; T82-F84 WeakPolarHBondContact O-CD2 3.06Å; T82-F84 PolarHBondContact O-N 3.29Å; T82-F84 VanDerWaalsContact O-N 3.11Å
83	R	64.4	Low	74.8	Confident	102 Å²	102	74.7 Å²	74.7	39%	0.385	41%	0.414	S	S	.	.			trans	-70	109.6	170.9	-67.8	-171.1	-169.5	173.1	4.7	110.6	P78 S85 R129	P78-R83 PolarHBondContact O-NH2 3.13Å; R83-S85 PolarHBondContact O-N 3.47Å; R83-R129 PolarHBondContact O-NH1 3.13Å; R83-R129 PolarHBondContact O-NH2 3.41Å
84	F	72.2	Confident	75	Confident	2 Å²	2	73.9 Å²	73.9	1%	0.009	41%	0.411	C	S	.	.	B	Isolated β-bridge	trans	-82.4	11.8	167.4	-66.5	-90.6	0	0	0	111.4	T82 D86 A122 V133 H154 F155 K156	T82-F84 VanDerWaalsContact O-CD2 3.25Å; T82-F84 WeakPolarHBondContact O-CD2 3.06Å; T82-F84 PolarHBondContact O-N 3.29Å; T82-F84 VanDerWaalsContact O-N 3.11Å; F84-D86 VanDerWaalsContact C-N 3.34Å; F84-A122 HydrophobicContact CE1-CB 4.19Å; F84-A122 HydrophobicContact CZ-CB 3.92Å; F84-V133 HydrophobicContact CD1-CB 3.79Å; F84-V133 HydrophobicContact CD1-CG2 3.96Å; F84-V133 HydrophobicContact CE1-CB 4.09Å; F84-V133 HydrophobicContact CE1-CG2 3.72Å; F84-V133 HydrophobicContact CG-CB 4.28Å; F84-V133 HydrophobicContact CZ-CG2 4.35Å; F84-H154 CarbonylContact C-O 3.51Å; F84-H154 WeakPolarHBondContact CA-O 3.34Å; F84-H154 PolarHBondContact N-O 2.85Å; F84-F155 HydrophobicContact CB-CD1 3.34Å; F84-F155 HydrophobicContact CB-CE1 3.7Å; F84-F155 HydrophobicContact CB-CG 4.15Å; F84-F155 HydrophobicContact CD1-CE1 4.4Å; F84-F155 AromaticContact CD2-CD1 3.89Å; F84-F155 HydrophobicContact CD2-CD1 3.89Å; F84-F155 AromaticContact CD2-CE1 3.27Å; F84-F155 HydrophobicContact CD2-CE1 3.27Å; F84-F155 AromaticContact CD2-CZ 3.86Å; F84-F155 HydrophobicContact CD2-CZ 3.86Å; F84-F155 AromaticContact CE2-CE1 3.95Å; F84-F155 HydrophobicContact CE2-CE1 3.95Å; F84-F155 HydrophobicContact CE2-CZ 4.35Å; F84-F155 AromaticContact CG-CD1 3.75Å; F84-F155 HydrophobicContact CG-CD1 3.75Å; F84-F155 AromaticContact CG-CE1 3.55Å; F84-F155 HydrophobicContact CG-CE1 3.55Å; F84-K156 PolarHBondContact O-N 2.79Å
85	S	72.6	Confident	75.3	Confident	38 Å²	38	68 Å²	68	27%	0.266	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-37.4	172.2	59.3	0	0	0	0	111.7	R83 V87 H154	R83-S85 PolarHBondContact O-N 3.47Å; S85-V87 PolarHBondContact O-N 2.89Å; S85-H154 PolarHBondContact N-O 3.04Å
86	D	81	Confident	76	Confident	131 Å²	131	64.5 Å²	64.5	70%	0.701	36%	0.359	S	S	*	.	S	Bend	trans	-94.9	82.3	178.8	-62.1	-28	0	0	0	109.3	F84 A88	F84-D86 VanDerWaalsContact C-N 3.34Å; D86-A88 PolarHBondContact O-N 2.89Å
87	V	84.4	Confident	77.5	Confident	22 Å²	22	63 Å²	63	13%	0.133	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-73.9	121.6	-178.4	-163.8	0	0	0	0	109.4	S85 E132 K156 V193	S85-V87 PolarHBondContact O-N 2.89Å; V87-E132 HydrophobicContact CG1-CB 3.7Å; V87-E132 HydrophobicContact CG1-CG 3.9Å; V87-K156 HydrophobicContact CG2-CB 3.55Å; V87-K156 HydrophobicContact CG2-CG 4.15Å; V87-V193 HydrophobicContact CB-CG1 3.9Å; V87-V193 HydrophobicContact CG1-CB 4.4Å; V87-V193 HydrophobicContact CG1-CG1 3.55Å; V87-V193 HydrophobicContact CG1-CG2 4.4Å
88	A	88	Confident	79.5	Confident	45 Å²	45	59.4 Å²	59.4	37%	0.372	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-60.3	144.9	178.5	0	0	0	0	0	111.8	D86 P91 E132	D86-A88 PolarHBondContact O-N 2.89Å; A88-P91 WeakPolarHBondContact O-CD 3.44Å; A88-E132 HydrophobicContact CB-CG 4.11Å
89	Q	91.9	Very high	81.7	Confident	119 Å²	119	57 Å²	57	56%	0.556	30%	0.301	S	S	*	.	S	Bend	trans	-78.6	140.1	173.2	-72	-66.8	-43.2	0	0	111	L192	Q89-L192 PolarHBondContact NE2-O 2.95Å
90	N	93.7	Very high	83.9	Confident	99 Å²	99	51.4 Å²	51.4	53%	0.529	28%	0.275	S	S	.	.	S	Bend	trans	52.5	50.3	-178.1	-49.8	-83.3	0	0	0	114.6	V193	N90-V193 VanDerWaalsContact CA-O 3.24Å; N90-V193 WeakPolarHBondContact CA-O 3.39Å; N90-V193 PolarHBondContact N-O 3.26Å
91	P	94.4	Very high	85.8	Confident	14 Å²	14	44.1 Å²	44.1	9%	0.091	24%	0.24	C	C	.	.			trans	-68.7	155.4	-178.8	31.4	-34.2	0	0	0	111.2	A88 L93 E132 V193 P195 K196	A88-P91 WeakPolarHBondContact O-CD 3.44Å; P91-L93 VanDerWaalsContact C-N 3.27Å; P91-L93 PolarHBondContact O-N 3.2Å; P91-E132 HydrophobicContact CB-CB 4.32Å; P91-E132 HydrophobicContact CB-CG 3.73Å; P91-E132 HydrophobicContact CG-CB 4.32Å; P91-E132 HydrophobicContact CG-CG 4.07Å; P91-V193 WeakPolarHBondContact CD-O 3.5Å; P91-V193 HydrophobicContact CG-CG2 4.07Å; P91-P195 HydrophobicContact CG-CB 3.95Å; P91-P195 WeakPolarHBondContact O-CA 3.23Å; P91-K196 PolarHBondContact O-N 2.63Å
92	E	94.7	Very high	87.9	Confident	117 Å²	117	41 Å²	41	55%	0.547	22%	0.215	S	C	.	.	S	Bend	trans	-63.7	-37.3	175.5	-174.6	179.4	168.9	0	0	111.8	N197	E92-N197 PolarHBondContact O-N 3Å; E92-N197 VanDerWaalsContact O-N 3.14Å; E92-N197 PolarHBondContact O-ND2 2.7Å
93	L	96.6	Very high	89.4	Confident	11 Å²	11	43.4 Å²	43.4	6%	0.058	23%	0.225	C	C	.	.			trans	-142.2	130.1	-178.6	-175	61.6	0	0	0	109.8	P91 A131 E132 N197 I199 F212 V215 L219 L328	P91-L93 VanDerWaalsContact C-N 3.27Å; P91-L93 PolarHBondContact O-N 3.2Å; L93-A131 HydrophobicContact CB-CB 4.02Å; L93-A131 HydrophobicContact CD2-CB 3.93Å; L93-A131 HydrophobicContact CG-CB 3.88Å; L93-A131 WeakPolarHBondContact O-CA 3.31Å; L93-E132 PolarHBondContact O-N 2.81Å; L93-N197 WeakPolarHBondContact CA-O 3.5Å; L93-N197 HydrophobicContact CD1-CB 3.94Å; L93-I199 HydrophobicContact CD1-CD1 3.92Å; L93-I199 HydrophobicContact CD1-CG1 3.95Å; L93-I199 HydrophobicContact CD2-CD1 4.12Å; L93-I199 HydrophobicContact CG-CD1 4.4Å; L93-F212 HydrophobicContact CD2-CD1 3.86Å; L93-F212 HydrophobicContact CD2-CE1 3.9Å; L93-V215 HydrophobicContact CD1-CG1 4.42Å; L93-V215 HydrophobicContact CD2-CG1 3.69Å; L93-L219 HydrophobicContact CD1-CD1 4.46Å; L93-L328 HydrophobicContact CD1-CD1 4.27Å
94	L	97.4	Very high	90.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.9	169.1	175.1	67.5	0	0	0	109.3	E132 L134 G189 V193 P195 N197 M198 I199	L94-E132 HydrophobicContact CD1-CB 3.98Å; L94-L134 HydrophobicContact CD1-CB 3.99Å; L94-G189 WeakPolarHBondContact CD2-O 3.4Å; L94-V193 HydrophobicContact CD1-CG2 4.28Å; L94-V193 HydrophobicContact CD2-CG2 3.75Å; L94-V193 HydrophobicContact CG-CG2 4.48Å; L94-P195 HydrophobicContact CB-CB 3.63Å; L94-P195 HydrophobicContact CB-CG 3.89Å; L94-P195 HydrophobicContact CD2-CB 4.48Å; L94-P195 HydrophobicContact CD2-CG 3.96Å; L94-N197 PolarHBondContact N-O 3.36Å; L94-M198 HydrophobicContact CD2-CE 3.61Å; L94-M198 CarbonylContact O-C 3.42Å; L94-M198 WeakPolarHBondContact O-CA 3.25Å; L94-I199 PolarHBondContact O-N 3.27Å
95	V	97.9	Very high	91.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	114.7	168.2	-176.9	0	0	0	0	108.3	V97 L118 A131 E132 V133 L134 I199 L201 F212	V95-V97 HydrophobicContact CG1-CG2 4.39Å; V95-L118 HydrophobicContact CG1-CD1 4.17Å; V95-L118 HydrophobicContact CG1-CD2 4.28Å; V95-A131 HydrophobicContact CG2-CB 3.96Å; V95-E132 PolarHBondContact N-O 2.77Å; V95-V133 HydrophobicContact CB-CG2 4.43Å; V95-V133 CarbonylContact O-C 3.5Å; V95-V133 WeakPolarHBondContact O-CA 3.49Å; V95-L134 PolarHBondContact O-N 3.4Å; V95-I199 HydrophobicContact CG1-CG2 4.43Å; V95-I199 HydrophobicContact CG2-CB 4.27Å; V95-I199 HydrophobicContact CG2-CD1 4.35Å; V95-L201 HydrophobicContact CG1-CD1 3.6Å; V95-L201 HydrophobicContact CG1-CG 3.96Å; V95-F212 HydrophobicContact CG2-CE1 3.86Å; V95-F212 HydrophobicContact CG2-CZ 4.05Å
96	T	98.1	Very high	92	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	123.5	171.2	-58	0	0	0	0	108.6	L134 C136 C185 I199 L200 L201	T96-L134 CarbonylContact C-O 3.53Å; T96-L134 WeakPolarHBondContact CA-O 3.39Å; T96-L134 HydrophobicContact CG2-CD2 4.09Å; T96-C136 HydrophobicContact CG2-CB 3.82Å; T96-C185 HydrophobicContact CG2-CB 4.23Å; T96-I199 PolarHBondContact N-O 3.27Å; T96-L200 HydrophobicContact CG2-CD1 3.6Å; T96-L200 WeakPolarHBondContact O-CA 3.23Å; T96-L201 PolarHBondContact O-N 3.45Å
97	V	98.4	Very high	92.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	123.5	173.2	-176.4	0	0	0	0	108.5	V95 L111 V114 M115 L118 L134 L135 C136 L201 D203	V95-V97 HydrophobicContact CG1-CG2 4.39Å; V97-L111 HydrophobicContact CG1-CD1 3.79Å; V97-V114 HydrophobicContact CG1-CG1 4.43Å; V97-V114 HydrophobicContact CG2-CG1 4.44Å; V97-M115 HydrophobicContact CB-SD 4.01Å; V97-M115 HydrophobicContact CG1-SD 4.31Å; V97-M115 HydrophobicContact CG2-SD 3.64Å; V97-L118 HydrophobicContact CG2-CD1 3.6Å; V97-L134 PolarHBondContact N-O 3.06Å; V97-L135 HydrophobicContact CB-CD1 4.14Å; V97-L135 HydrophobicContact CG1-CD1 4.29Å; V97-C136 PolarHBondContact O-N 2.92Å; V97-L201 CarbonylContact C-O 3.53Å; V97-L201 WeakPolarHBondContact CA-O 3.4Å; V97-L201 HydrophobicContact CG2-CB 4.34Å; V97-D203 HydrophobicContact CG1-CB 4.22Å
98	V	97.6	Very high	93.2	Very high	21 Å²	21	44.4 Å²	44.4	13%	0.127	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	126.9	178.1	-173	0	0	0	0	108.9	C136 V138 C185 L200 L201 D203	V98-C136 WeakPolarHBondContact CA-O 3.39Å; V98-V138 HydrophobicContact CG1-CG1 4.35Å; V98-V138 HydrophobicContact CG1-CG2 4.1Å; V98-C185 HydrophobicContact CG2-CB 3.85Å; V98-L200 HydrophobicContact CG2-CD1 3.34Å; V98-L200 HydrophobicContact CG2-CD2 4.13Å; V98-L200 HydrophobicContact CG2-CG 3.72Å; V98-L201 PolarHBondContact N-O 2.76Å; V98-D203 WeakPolarHBondContact O-CB 3.48Å; V98-D203 PolarHBondContact O-N 3.41Å; V98-D203 VanDerWaalsContact O-N 3.11Å
99	T	96.1	Very high	93.6	Very high	4 Å²	4	43.3 Å²	43.3	3%	0.025	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	151	179	-172.6	0	0	0	0	111.8	L111 L135 C136 D137 V138 N145 A148 D203	T99-L111 HydrophobicContact CG2-CD2 3.82Å; T99-L135 HydrophobicContact CG2-CD1 3.67Å; T99-L135 HydrophobicContact CG2-CG 4.23Å; T99-C136 PolarHBondContact N-O 3.36Å; T99-D137 HydrophobicContact CG2-CB 4.08Å; T99-V138 VanDerWaalsContact O-CG2 3.23Å; T99-V138 WeakPolarHBondContact O-CG2 3.39Å; T99-V138 PolarHBondContact O-N 3.46Å; T99-N145 WeakPolarHBondContact CG2-ND2 3.5Å; T99-N145 PolarHBondContact OG1-ND2 3.42Å; T99-A148 HydrophobicContact CG2-CB 4.27Å; T99-D203 WeakPolarHBondContact CA-OD2 3.32Å; T99-D203 WeakPolarHBondContact CB-OD2 3.46Å; T99-D203 PolarHBondContact OG1-OD2 2.8Å
100	T	93.1	Very high	93.8	Very high	22 Å²	22	37.8 Å²	37.8	14%	0.135	19%	0.189	C	C	.	.			trans	-142.8	156.1	165.8	-173.9	0	0	0	0	107.3	R102 E139 S384	T100-R102 PolarHBondContact O-N 2.89Å; T100-E139 PolarHBondContact OG1-OE2 2.81Å; T100-S384 WeakPolarHBondContact CG2-OG 3.47Å
101	R	89.9	Confident	94	Very high	30 Å²	30	33.1 Å²	33.1	11%	0.113	16%	0.164	C	C	.	.			trans	-60.8	131.8	-178.1	-170.7	179.5	-174.7	-141.1	9.4	111.4	R106 E139 E143 N145	R101-R106 VanDerWaalsContact NH2-NH1 3.14Å; R101-E139 WeakPolarHBondContact CA-OE2 3.34Å; R101-E139 VanDerWaalsContact CB-CD 3.45Å; R101-E139 HydrophobicContact CB-CG 4.26Å; R101-E139 WeakPolarHBondContact CB-OE2 3.49Å; R101-E139 PolarHBondContact N-OE2 2.84Å; R101-E143 IonicContact CZ-OE2 2.99Å; R101-E143 IonicContact NH1-OE2 3.81Å; R101-E143 PolarHBondContact NH1-OE2 3.05Å; R101-E143 IonicContact NH2-OE2 2.59Å; R101-E143 PolarHBondContact NH2-OE2 3.08Å; R101-N145 HydrophobicContact CB-CB 4.42Å
102	R	89.9	Confident	94.1	Very high	22 Å²	22	32.5 Å²	32.5	8%	0.083	16%	0.16	C	C	.	.			trans	-87.6	134.1	166.3	-75.5	178.8	179	74.1	-2.9	109.7	T100 R106 D203 D204 Y382	T100-R102 PolarHBondContact O-N 2.89Å; R102-R106 WeakPolarHBondContact O-CG 3.35Å; R102-R106 PolarHBondContact O-NE 2.99Å; R102-D203 IonicContact CZ-OD1 3.44Å; R102-D203 VanDerWaalsContact CZ-OD1 3.3Å; R102-D203 IonicContact CZ-OD2 3.82Å; R102-D203 IonicContact NH1-OD1 3.74Å; R102-D203 PolarHBondContact NH1-OD1 2.89Å; R102-D203 IonicContact NH1-OD2 3Å; R102-D203 PolarHBondContact NH1-OD2 3.3Å; R102-D203 IonicContact NH2-OD1 2.65Å; R102-D203 PolarHBondContact NH2-OD1 2.96Å; R102-D203 IonicContact NH2-OD2 2.69Å; R102-D204 IonicContact NH2-OD2 3.3Å; R102-D204 PolarHBondContact NH2-OD2 2.9Å; R102-Y382 PolarHBondContact NE-O 3.44Å
103	N	85	Confident	94.3	Very high	112 Å²	112	27.1 Å²	27.1	60%	0.599	14%	0.135	S	C	*	.	S	Bend	trans	-85	-38.3	171.1	-72.3	-29.7	0	0	0	111.7	R106	N103-R106 PolarHBondContact O-NE 3.27Å; N103-R106 PolarHBondContact OD1-NH2 2.95Å
104	E	88.1	Confident	94.3	Very high	84 Å²	84	26.6 Å²	26.6	39%	0.393	13%	0.132	S	C	.	.	S	Bend	trans	-106.3	146.3	177.5	-60.8	176.5	-104.2	0	0	110	R106 Y382 N388	E104-R106 VanDerWaalsContact C-N 3.35Å; E104-R106 PolarHBondContact O-N 2.85Å; E104-Y382 HydrophobicContact CB-CD1 4.04Å; E104-N388 PolarHBondContact OE1-ND2 3.28Å; E104-N388 VanDerWaalsContact OE1-ND2 3.07Å; E104-N388 WeakPolarHBondContact OE2-CB 3.31Å
105	G	85.9	Confident	94.3	Very high	15 Å²	15	26.6 Å²	26.6	16%	0.155	13%	0.132	C	C	.	.	S	Bend	trans	68.8	29.3	-179.5	0	0	0	0	0	114.3	D107 F108	G105-D107 VanDerWaalsContact C-N 3.26Å; G105-D107 PolarHBondContact O-N 3.11Å; G105-F108 WeakPolarHBondContact O-CB 3.39Å; G105-F108 WeakPolarHBondContact O-CD2 3.39Å; G105-F108 PolarHBondContact O-N 2.79Å
106	R	90.6	Very high	94.2	Very high	95 Å²	95	30.4 Å²	30.4	36%	0.358	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-58.3	-38.7	177.7	-71.2	-179.8	-178.5	167.9	6.9	112.6	R101 R102 N103 E104 F108 H109	R101-R106 VanDerWaalsContact NH2-NH1 3.14Å; R102-R106 WeakPolarHBondContact O-CG 3.35Å; R102-R106 PolarHBondContact O-NE 2.99Å; N103-R106 PolarHBondContact O-NE 3.27Å; N103-R106 PolarHBondContact OD1-NH2 2.95Å; E104-R106 VanDerWaalsContact C-N 3.35Å; E104-R106 PolarHBondContact O-N 2.85Å; R106-F108 PolarHBondContact O-N 2.04Å; R106-H109 PolarHBondContact O-N 2.9Å; R106-H109 VanDerWaalsContact O-N 3.08Å
107	D	93.4	Very high	94	Very high	103 Å²	103	31.7 Å²	31.7	55%	0.551	15%	0.152	S	C	*	.	G	3₁₀ helix	trans	-65.3	-12.9	-176.6	-48.9	-43.5	0	0	0	113.4	L63 Q67 G105 H109	L63-D107 HydrophobicContact CD1-CB 3.8Å; L63-D107 WeakPolarHBondContact CD1-O 3.4Å; Q67-D107 PolarHBondContact NE2-O 3.22Å; G105-D107 VanDerWaalsContact C-N 3.26Å; G105-D107 PolarHBondContact O-N 3.11Å; D107-H109 PolarHBondContact O-CD2 2.99Å
108	F	95.6	Very high	93.9	Very high	19 Å²	19	31.7 Å²	31.7	8%	0.083	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-79.4	-21.3	176.8	-69.2	-99.5	0	0	0	112.7	L59 L63 G66 G105 R106 Y110 Q113 Y382	L59-F108 HydrophobicContact CB-CE1 4.24Å; L59-F108 HydrophobicContact CB-CZ 4.42Å; L59-F108 HydrophobicContact CD2-CE1 3.82Å; L59-F108 HydrophobicContact CD2-CZ 3.94Å; L59-F108 VanDerWaalsContact O-CE1 3.31Å; L59-F108 WeakPolarHBondContact O-CE1 3.3Å; L63-F108 HydrophobicContact CB-CD1 4.25Å; L63-F108 HydrophobicContact CB-CE1 4.05Å; G66-F108 WeakPolarHBondContact CA-O 3.46Å; G105-F108 WeakPolarHBondContact O-CB 3.39Å; G105-F108 WeakPolarHBondContact O-CD2 3.39Å; G105-F108 PolarHBondContact O-N 2.79Å; R106-F108 PolarHBondContact O-N 2.04Å; F108-Y110 VanDerWaalsContact C-N 3.31Å; F108-Y110 HydrophobicContact CB-CD1 4.21Å; F108-Y110 HydrophobicContact CB-CD2 4.39Å; F108-Y110 HydrophobicContact CB-CE1 3.76Å; F108-Y110 HydrophobicContact CB-CE2 3.95Å; F108-Y110 HydrophobicContact CD1-CE1 4.24Å; F108-Y110 HydrophobicContact CG-CE1 4.28Å; F108-Y110 AromaticContact CG-CZ 3.94Å; F108-Y110 PolarHBondContact O-N 2.69Å; F108-Y110 VanDerWaalsContact O-N 3.16Å; F108-Q113 PolarHBondContact O-NE2 2.92Å; F108-Y382 HydrophobicContact CD2-CD2 4.12Å; F108-Y382 HydrophobicContact CD2-CE2 4.05Å; F108-Y382 AromaticContact CE2-CD2 3.95Å; F108-Y382 HydrophobicContact CE2-CD2 3.95Å; F108-Y382 AromaticContact CE2-CE2 3.41Å; F108-Y382 HydrophobicContact CE2-CE2 3.41Å; F108-Y382 VanDerWaalsContact CE2-CE2 3.41Å; F108-Y382 HydrophobicContact CZ-CD2 4.43Å; F108-Y382 AromaticContact CZ-CE2 3.72Å; F108-Y382 HydrophobicContact CZ-CE2 3.72Å
109	H	96.6	Very high	93.6	Very high	22 Å²	22	31.4 Å²	31.4	10%	0.102	15%	0.151	C	C	.	.			trans	46.6	46.6	176.1	-59.6	-71.2	0	0	0	114.9	R106 D107 L111 L112 Q113 D147	R106-H109 PolarHBondContact O-N 2.9Å; R106-H109 VanDerWaalsContact O-N 3.08Å; D107-H109 PolarHBondContact O-CD2 2.99Å; H109-L111 PolarHBondContact O-N 3.5Å; H109-L111 VanDerWaalsContact O-N 3.16Å; H109-L112 HydrophobicContact CB-CB 4Å; H109-L112 HydrophobicContact CB-CD1 3.89Å; H109-L112 HydrophobicContact CB-CG 3.98Å; H109-L112 WeakPolarHBondContact O-CB 3.5Å; H109-L112 PolarHBondContact O-N 2.94Å; H109-Q113 PolarHBondContact O-N 3.37Å; H109-Q113 VanDerWaalsContact O-N 3.09Å; H109-D147 WeakPolarHBondContact CA-OD2 3.42Å; H109-D147 IonicContact CE1-OD1 3.57Å; H109-D147 IonicContact CG-OD1 3.9Å; H109-D147 IonicContact ND1-OD1 2.79Å; H109-D147 PolarHBondContact ND1-OD1 3.31Å; H109-D147 IonicContact ND1-OD2 3.5Å; H109-D147 PolarHBondContact ND1-OD2 3.4Å
110	Y	97.3	Very high	93.4	Very high	3 Å²	3	36.6 Å²	36.6	1%	0.012	17%	0.17	C	C	.	.	H	α-helix	trans	-52	-42.4	-174.8	-61.6	-59.8	0	0	0	112.8	F108 L112 Q113 V114 D203 D204 I379 A381	F108-Y110 VanDerWaalsContact C-N 3.31Å; F108-Y110 HydrophobicContact CB-CD1 4.21Å; F108-Y110 HydrophobicContact CB-CD2 4.39Å; F108-Y110 HydrophobicContact CB-CE1 3.76Å; F108-Y110 HydrophobicContact CB-CE2 3.95Å; F108-Y110 HydrophobicContact CD1-CE1 4.24Å; F108-Y110 HydrophobicContact CG-CE1 4.28Å; F108-Y110 AromaticContact CG-CZ 3.94Å; F108-Y110 PolarHBondContact O-N 2.69Å; F108-Y110 VanDerWaalsContact O-N 3.16Å; Y110-L112 PolarHBondContact O-N 2.73Å; Y110-Q113 WeakPolarHBondContact O-CB 3Å; Y110-Q113 PolarHBondContact O-N 3.28Å; Y110-Q113 VanDerWaalsContact O-N 3.17Å; Y110-V114 WeakPolarHBondContact O-CG2 3.49Å; Y110-V114 PolarHBondContact O-N 3.5Å; Y110-D203 CarbonylContact C-O 3.57Å; Y110-D203 WeakPolarHBondContact CB-O 3.43Å; Y110-D204 HydrophobicContact CG-CB 4.25Å; Y110-I379 HydrophobicContact CD1-CB 4.45Å; Y110-I379 HydrophobicContact CD1-CD1 3.82Å; Y110-I379 HydrophobicContact CD1-CG1 3.85Å; Y110-I379 HydrophobicContact CE1-CG1 4.48Å; Y110-I379 WeakPolarHBondContact CE1-O 3.22Å; Y110-A381 WeakPolarHBondContact OH-CB 3.27Å; Y110-A381 PolarHBondContact OH-N 3Å
111	L	97.5	Very high	93.4	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-57.6	-48.3	176.8	176	60.7	0	0	0	111.4	V97 T99 H109 Q113 V114 M115 L135 D147 A148 L151 D203	V97-L111 HydrophobicContact CG1-CD1 3.79Å; T99-L111 HydrophobicContact CG2-CD2 3.82Å; H109-L111 PolarHBondContact O-N 3.5Å; H109-L111 VanDerWaalsContact O-N 3.16Å; L111-Q113 VanDerWaalsContact C-N 3.27Å; L111-Q113 PolarHBondContact O-N 2.95Å; L111-V114 PolarHBondContact O-N 2.87Å; L111-M115 HydrophobicContact CD1-CG 3.68Å; L111-M115 HydrophobicContact CD1-SD 4.33Å; L111-M115 HydrophobicContact CG-CG 4.2Å; L111-M115 WeakPolarHBondContact O-CB 3.41Å; L111-M115 WeakPolarHBondContact O-CG 2.98Å; L111-M115 PolarHBondContact O-N 3.47Å; L111-L135 HydrophobicContact CD1-CD1 3.6Å; L111-L135 HydrophobicContact CD2-CD1 4.14Å; L111-L135 HydrophobicContact CD2-CD2 4.15Å; L111-L135 HydrophobicContact CG-CD1 4.48Å; L111-D147 HydrophobicContact CB-CB 4.21Å; L111-D147 HydrophobicContact CD2-CB 3.84Å; L111-D147 HydrophobicContact CG-CB 4.42Å; L111-A148 HydrophobicContact CD2-CB 4.23Å; L111-L151 HydrophobicContact CD1-CD1 4.33Å; L111-L151 HydrophobicContact CD2-CD1 3.81Å; L111-L151 HydrophobicContact CG-CD1 3.76Å; L111-D203 HydrophobicContact CB-CB 4.1Å; L111-D203 HydrophobicContact CD1-CB 3.9Å; L111-D203 PolarHBondContact N-O 3.33Å
112	L	97.3	Very high	93.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.4	-36.8	-179.8	-58.4	-170.2	0	0	0	111.6	A69 L70 W73 H109 Y110 R116 D147 L150 L151	A69-L112 HydrophobicContact CB-CB 3.9Å; L70-L112 HydrophobicContact CB-CD1 4.03Å; L70-L112 HydrophobicContact CD1-CD1 3.64Å; L70-L112 HydrophobicContact CG-CD1 4.48Å; W73-L112 PolarHBondContact NE1-O 2.67Å; H109-L112 HydrophobicContact CB-CB 4Å; H109-L112 HydrophobicContact CB-CD1 3.89Å; H109-L112 HydrophobicContact CB-CG 3.98Å; H109-L112 WeakPolarHBondContact O-CB 3.5Å; H109-L112 PolarHBondContact O-N 2.94Å; Y110-L112 PolarHBondContact O-N 2.73Å; L112-R116 VanDerWaalsContact O-CB 3.25Å; L112-R116 WeakPolarHBondContact O-CB 3.47Å; L112-R116 PolarHBondContact O-N 3.47Å; L112-D147 HydrophobicContact CD2-CB 3.83Å; L112-D147 HydrophobicContact CG-CB 4Å; L112-L150 HydrophobicContact CD1-CD2 4.04Å; L112-L150 HydrophobicContact CD2-CD2 4.42Å; L112-L151 HydrophobicContact CD2-CD1 3.77Å; L112-L151 HydrophobicContact CD2-CD2 4.06Å; L112-L151 HydrophobicContact CD2-CG 3.75Å
113	Q	97.5	Very high	93	Very high	5 Å²	5	35.5 Å²	35.5	2%	0.023	17%	0.174	C	C	.	.	H	α-helix	trans	-62.8	-49.6	175	-59.4	-175	44.5	0	0	111.5	S62 R65 A69 F108 H109 Y110 L111 R116 Q117 I379	S62-Q113 PolarHBondContact O-NE2 3.34Å; R65-Q113 VanDerWaalsContact CD-OE1 3.23Å; R65-Q113 HydrophobicContact CG-CG 4.2Å; A69-Q113 HydrophobicContact CB-CG 4.23Å; F108-Q113 PolarHBondContact O-NE2 2.92Å; H109-Q113 PolarHBondContact O-N 3.37Å; H109-Q113 VanDerWaalsContact O-N 3.09Å; Y110-Q113 WeakPolarHBondContact O-CB 3Å; Y110-Q113 PolarHBondContact O-N 3.28Å; Y110-Q113 VanDerWaalsContact O-N 3.17Å; L111-Q113 VanDerWaalsContact C-N 3.27Å; L111-Q113 PolarHBondContact O-N 2.95Å; Q113-R116 PolarHBondContact O-N 2.84Å; Q113-Q117 PolarHBondContact O-N 2.85Å; Q113-Q117 VanDerWaalsContact O-N 3.08Å; Q113-I379 HydrophobicContact CB-CD1 4.04Å
114	V	98	Very high	92.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-60.7	-46.6	178.7	172	0	0	0	0	110.8	V97 Y110 L111 Q117 L118 D203 L206	V97-V114 HydrophobicContact CG1-CG1 4.43Å; V97-V114 HydrophobicContact CG2-CG1 4.44Å; Y110-V114 WeakPolarHBondContact O-CG2 3.49Å; Y110-V114 PolarHBondContact O-N 3.5Å; L111-V114 PolarHBondContact O-N 2.87Å; V114-Q117 PolarHBondContact O-N 3.06Å; V114-L118 HydrophobicContact CG1-CD1 3.94Å; V114-L118 HydrophobicContact CG1-CG 4.47Å; V114-L118 WeakPolarHBondContact O-CG 3.24Å; V114-L118 PolarHBondContact O-N 3.18Å; V114-D203 VanDerWaalsContact CG2-O 3.31Å; V114-D203 WeakPolarHBondContact CG2-O 3.38Å; V114-L206 HydrophobicContact CG2-CD1 4.38Å
115	M	96.6	Very high	92.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-68.7	-36.7	-177.8	-63.9	-62.4	-70.1	0	0	112.1	W73 V97 L111 L118 S119 V133 L151 F155	W73-M115 HydrophobicContact CZ2-CB 4.17Å; V97-M115 HydrophobicContact CB-SD 4.01Å; V97-M115 HydrophobicContact CG1-SD 4.31Å; V97-M115 HydrophobicContact CG2-SD 3.64Å; L111-M115 HydrophobicContact CD1-CG 3.68Å; L111-M115 HydrophobicContact CD1-SD 4.33Å; L111-M115 HydrophobicContact CG-CG 4.2Å; L111-M115 WeakPolarHBondContact O-CB 3.41Å; L111-M115 WeakPolarHBondContact O-CG 2.98Å; L111-M115 PolarHBondContact O-N 3.47Å; M115-L118 PolarHBondContact O-N 3.04Å; M115-L118 HydrophobicContact SD-CD1 4.17Å; M115-S119 WeakPolarHBondContact O-CB 3.24Å; M115-S119 PolarHBondContact O-N 3.25Å; M115-V133 HydrophobicContact CE-CG1 3.9Å; M115-V133 HydrophobicContact SD-CG1 4.35Å; M115-L151 HydrophobicContact CB-CD1 4.07Å; M115-L151 HydrophobicContact CB-CD2 4.12Å; M115-L151 HydrophobicContact CG-CD1 3.67Å; M115-F155 HydrophobicContact CB-CE2 4.37Å; M115-F155 HydrophobicContact CE-CB 4.2Å; M115-F155 HydrophobicContact CE-CD1 3.35Å; M115-F155 HydrophobicContact CE-CD2 3.55Å; M115-F155 HydrophobicContact CE-CE1 3.49Å; M115-F155 VanDerWaalsContact CE-CE1 3.49Å; M115-F155 HydrophobicContact CE-CE2 3.66Å; M115-F155 HydrophobicContact CE-CG 3.41Å; M115-F155 VanDerWaalsContact CE-CG 3.41Å; M115-F155 HydrophobicContact CE-CZ 3.64Å
116	R	95.1	Very high	91.2	Very high	80 Å²	80	37.7 Å²	37.7	30%	0.302	21%	0.208	S	C	.	.	H	α-helix	trans	-60.4	-47.8	173.1	178.2	178.9	171.7	-156.5	-1.2	110.2	E68 A69 F72 W73 L112 Q113 S119 R120	E68-R116 IonicContact OE2-CZ 3.99Å; E68-R116 IonicContact OE2-NH1 3.79Å; E68-R116 PolarHBondContact OE2-NH1 2.87Å; E68-R116 IonicContact OE2-NH2 3.91Å; A69-R116 HydrophobicContact CB-CB 4.46Å; F72-R116 HydrophobicContact CD1-CB 4.43Å; F72-R116 HydrophobicContact CD1-CG 4.01Å; F72-R116 HydrophobicContact CE1-CG 4.19Å; F72-R116 HydrophobicContact CG-CG 4.36Å; W73-R116 HydrophobicContact CZ2-CB 4.27Å; L112-R116 VanDerWaalsContact O-CB 3.25Å; L112-R116 WeakPolarHBondContact O-CB 3.47Å; L112-R116 PolarHBondContact O-N 3.47Å; Q113-R116 PolarHBondContact O-N 2.84Å; R116-S119 PolarHBondContact O-N 3.39Å; R116-S119 PolarHBondContact O-OG 3.11Å; R116-R120 PolarHBondContact O-N 2.9Å
117	Q	95.5	Very high	90.1	Very high	26 Å²	26	37.1 Å²	37.1	12%	0.121	23%	0.231	C	C	.	.	H	α-helix	trans	-60.8	-49.5	178.3	-177.3	65.9	2.5	0	0	111.6	Q113 V114 S119 R120 I121 L206 P207 E209	Q113-Q117 PolarHBondContact O-N 2.85Å; Q113-Q117 VanDerWaalsContact O-N 3.08Å; V114-Q117 PolarHBondContact O-N 3.06Å; Q117-S119 VanDerWaalsContact C-N 3.34Å; Q117-S119 PolarHBondContact O-N 2.7Å; Q117-R120 PolarHBondContact O-N 3.36Å; Q117-I121 HydrophobicContact CG-CD1 4.42Å; Q117-I121 WeakPolarHBondContact O-CG1 3.41Å; Q117-I121 PolarHBondContact O-N 3.39Å; Q117-L206 HydrophobicContact CB-CD1 3.66Å; Q117-L206 HydrophobicContact CG-CD1 3.98Å; Q117-P207 VanDerWaalsContact CG-O 3.26Å; Q117-P207 WeakPolarHBondContact CG-O 3.36Å; Q117-P207 PolarHBondContact NE2-O 3.02Å; Q117-P207 VanDerWaalsContact NE2-O 3.13Å; Q117-E209 PolarHBondContact NE2-OE1 2.98Å
118	L	95.4	Very high	89.4	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-57.9	-43.8	176.8	-76.7	171.6	0	0	0	112.5	V95 V97 V114 M115 R120 I121 A122 V133 L201 P207 F212	V95-L118 HydrophobicContact CG1-CD1 4.17Å; V95-L118 HydrophobicContact CG1-CD2 4.28Å; V97-L118 HydrophobicContact CG2-CD1 3.6Å; V114-L118 HydrophobicContact CG1-CD1 3.94Å; V114-L118 HydrophobicContact CG1-CG 4.47Å; V114-L118 WeakPolarHBondContact O-CG 3.24Å; V114-L118 PolarHBondContact O-N 3.18Å; M115-L118 PolarHBondContact O-N 3.04Å; M115-L118 HydrophobicContact SD-CD1 4.17Å; L118-R120 PolarHBondContact O-N 2.99Å; L118-I121 PolarHBondContact O-N 3.19Å; L118-A122 WeakPolarHBondContact O-CB 3.2Å; L118-A122 PolarHBondContact O-N 3.41Å; L118-V133 HydrophobicContact CD1-CG1 4.12Å; L118-L201 HydrophobicContact CD1-CD1 4.2Å; L118-L201 HydrophobicContact CD2-CD1 4.35Å; L118-P207 HydrophobicContact CD2-CG 3.78Å; L118-P207 HydrophobicContact CG-CG 4.07Å; L118-F212 HydrophobicContact CD2-CZ 4.23Å
119	S	92.1	Very high	88.9	Confident	16 Å²	16	45.5 Å²	45.5	11%	0.112	26%	0.255	C	S	.	.	H	α-helix	trans	-60.1	-34.1	-179.8	75	0	0	0	0	112.8	M115 R116 Q117	M115-S119 WeakPolarHBondContact O-CB 3.24Å; M115-S119 PolarHBondContact O-N 3.25Å; R116-S119 PolarHBondContact O-N 3.39Å; R116-S119 PolarHBondContact O-OG 3.11Å; Q117-S119 VanDerWaalsContact C-N 3.34Å; Q117-S119 PolarHBondContact O-N 2.7Å
120	R	91.1	Very high	88.6	Confident	112 Å²	112	45.7 Å²	45.7	42%	0.423	26%	0.258	S	S	.	.	H	α-helix	trans	-75	-59.9	177	-177.3	173.3	63.6	98.5	-2.7	110.7	R116 Q117 L118 A122 A123 E209	R116-R120 PolarHBondContact O-N 2.9Å; Q117-R120 PolarHBondContact O-N 3.36Å; L118-R120 PolarHBondContact O-N 2.99Å; R120-A122 VanDerWaalsContact C-N 3.29Å; R120-A122 PolarHBondContact O-N 3.07Å; R120-A123 WeakPolarHBondContact O-CB 3.35Å; R120-A123 PolarHBondContact O-N 3.41Å; R120-A123 VanDerWaalsContact O-N 3.13Å; R120-E209 IonicContact CZ-OE1 3.2Å; R120-E209 IonicContact CZ-OE2 2.8Å; R120-E209 IonicContact NH1-OE1 2.7Å; R120-E209 IonicContact NH1-OE2 2.63Å; R120-E209 PolarHBondContact NH1-OE2 3.17Å; R120-E209 IonicContact NH2-OE1 2.95Å; R120-E209 PolarHBondContact NH2-OE1 3.2Å; R120-E209 IonicContact NH2-OE2 3.64Å; R120-E209 PolarHBondContact NH2-OE2 3.21Å
121	I	92.8	Very high	88.5	Confident	7 Å²	7	45.7 Å²	45.7	4%	0.036	26%	0.259	C	S	.	.	H	α-helix	trans	-71.2	-23	-171.5	68.8	177.5	0	0	0	112.9	Q117 L118 A123 C130 P207 F211 F212	Q117-I121 HydrophobicContact CG-CD1 4.42Å; Q117-I121 WeakPolarHBondContact O-CG1 3.41Å; Q117-I121 PolarHBondContact O-N 3.39Å; L118-I121 PolarHBondContact O-N 3.19Å; I121-A123 VanDerWaalsContact C-N 3.31Å; I121-C130 PolarHBondContact O-SG 3.18Å; I121-P207 HydrophobicContact CD1-CB 3.76Å; I121-F211 HydrophobicContact CD1-CB 3.97Å; I121-F212 HydrophobicContact CB-CD2 4.42Å; I121-F212 HydrophobicContact CD1-CD2 4.25Å; I121-F212 HydrophobicContact CD1-CE2 4.14Å; I121-F212 HydrophobicContact CG1-CD2 3.91Å; I121-F212 HydrophobicContact CG1-CE2 3.71Å; I121-F212 WeakPolarHBondContact O-CD2 3.24Å
122	A	90.2	Very high	88.3	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-20.7	175.4	0	0	0	0	0	113	F84 L118 R120 D124 R129 C130 F212	F84-A122 HydrophobicContact CE1-CB 4.19Å; F84-A122 HydrophobicContact CZ-CB 3.92Å; L118-A122 WeakPolarHBondContact O-CB 3.2Å; L118-A122 PolarHBondContact O-N 3.41Å; R120-A122 VanDerWaalsContact C-N 3.29Å; R120-A122 PolarHBondContact O-N 3.07Å; A122-D124 VanDerWaalsContact C-N 3.34Å; A122-R129 CarbonylContact O-C 3.58Å; A122-R129 VanDerWaalsContact O-CA 3.31Å; A122-R129 WeakPolarHBondContact O-CA 3.41Å; A122-C130 PolarHBondContact O-N 2.01Å; A122-F212 VanDerWaalsContact CA-CE2 3.47Å; A122-F212 HydrophobicContact CB-CE2 3.64Å; A122-F212 HydrophobicContact CB-CZ 4.12Å
123	A	81.5	Confident	88.3	Confident	45 Å²	45	46.6 Å²	46.6	37%	0.372	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-17.3	178.2	0	0	0	0	0	112.9	R120 I121 C125	R120-A123 WeakPolarHBondContact O-CB 3.35Å; R120-A123 PolarHBondContact O-N 3.41Å; R120-A123 VanDerWaalsContact O-N 3.13Å; I121-A123 VanDerWaalsContact C-N 3.31Å; A123-C125 VanDerWaalsContact C-N 3.27Å; A123-C125 PolarHBondContact O-N 3.48Å; A123-C125 VanDerWaalsContact O-N 3.12Å
124	D	77.9	Confident	88.2	Confident	116 Å²	116	46.4 Å²	46.4	62%	0.62	26%	0.263	S	S	*	.			trans	-83	17.6	-167.6	-70.1	-22.3	0	0	0	115	A122 G126	A122-D124 VanDerWaalsContact C-N 3.34Å; D124-G126 PolarHBondContact O-N 3.44Å
125	C	77.8	Confident	88.1	Confident	58 Å²	58	46.4 Å²	46.4	39%	0.392	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-98.6	50.3	-177.3	-80.4	0	0	0	0	115.2	A123 G127 R128 C130	A123-C125 VanDerWaalsContact C-N 3.27Å; A123-C125 PolarHBondContact O-N 3.48Å; A123-C125 VanDerWaalsContact O-N 3.12Å; C125-G127 PolarHBondContact O-N 3.04Å; C125-R128 CarbonylContact C-O 3.57Å; C125-R128 VanDerWaalsContact CB-O 3.22Å; C125-R128 WeakPolarHBondContact CB-O 3.32Å; C125-R128 PolarHBondContact O-N 2.75Å; C125-R128 VanDerWaalsContact O-O 3.1Å; C125-C130 HydrophobicContact CB-CB 3.89Å; C125-C130 WeakPolarHBondContact CB-SG 3.46Å; C125-C130 WeakPolarHBondContact SG-CA 3.42Å; C125-C130 WeakPolarHBondContact SG-CB 3.39Å; C125-C130 CovalentContact SG-SG 2.01Å; C125-C130 PolarHBondContact SG-SG 3.45Å
126	G	64.9	Low	88.2	Confident	82 Å²	82	46.5 Å²	46.5	85%	0.845	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	45.6	165.1	0	0	0	0	0	114.6	D124	D124-G126 PolarHBondContact O-N 3.44Å
127	G	68.3	Low	88.2	Confident	83 Å²	83	43 Å²	43	86%	0.856	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.3	-3.2	176.2	0	0	0	0	0	115.1	C125	C125-G127 PolarHBondContact O-N 3.04Å
128	R	77.8	Confident	88.2	Confident	216 Å²	216	42 Å²	42	82%	0.815	25%	0.246	S	C	*	.	B	Isolated β-bridge	trans	-127.1	158.1	166.1	-67.3	-175.9	-179.6	178.2	0.2	109.8	C125	C125-R128 CarbonylContact C-O 3.57Å; C125-R128 VanDerWaalsContact CB-O 3.22Å; C125-R128 WeakPolarHBondContact CB-O 3.32Å; C125-R128 PolarHBondContact O-N 2.75Å; C125-R128 VanDerWaalsContact O-O 3.1Å
129	R	86.3	Confident	87.8	Confident	83 Å²	83	43.1 Å²	43.1	31%	0.313	25%	0.251	S	S	.	.			trans	-68.1	139.6	175.4	-63.2	177.2	-175.1	167.5	0.7	110.3	R83 A122 A131 E132	R83-R129 PolarHBondContact O-NH1 3.13Å; R83-R129 PolarHBondContact O-NH2 3.41Å; A122-R129 CarbonylContact O-C 3.58Å; A122-R129 VanDerWaalsContact O-CA 3.31Å; A122-R129 WeakPolarHBondContact O-CA 3.41Å; R129-A131 VanDerWaalsContact C-N 3.26Å; R129-A131 PolarHBondContact O-N 2.83Å; R129-E132 IonicContact NH1-OE1 3.34Å; R129-E132 IonicContact NH1-OE2 2.63Å; R129-E132 PolarHBondContact NH1-OE2 3.32Å
130	C	90.7	Very high	86.9	Confident	25 Å²	25	43 Å²	43	17%	0.169	25%	0.251	C	S	.	.	S	Bend	trans	-65.4	-34.1	174.5	-57.6	0	0	0	0	112.1	I121 A122 C125 F212	I121-C130 PolarHBondContact O-SG 3.18Å; A122-C130 PolarHBondContact O-N 2.01Å; C125-C130 HydrophobicContact CB-CB 3.89Å; C125-C130 WeakPolarHBondContact CB-SG 3.46Å; C125-C130 WeakPolarHBondContact SG-CA 3.42Å; C125-C130 WeakPolarHBondContact SG-CB 3.39Å; C125-C130 CovalentContact SG-SG 2.01Å; C125-C130 PolarHBondContact SG-SG 3.45Å; C130-F212 HydrophobicContact CB-CB 3.84Å; C130-F212 HydrophobicContact CB-CD1 3.94Å; C130-F212 HydrophobicContact CB-CD2 3.63Å; C130-F212 HydrophobicContact CB-CE1 4.42Å; C130-F212 HydrophobicContact CB-CE2 4.12Å; C130-F212 HydrophobicContact CB-CG 3.52Å
131	A	94.3	Very high	85.9	Confident	4 Å²	4	39 Å²	39	3%	0.033	24%	0.244	C	C	.	.	S	Bend	trans	-155.7	156.7	179.3	0	0	0	0	0	109.6	L93 V95 R129 F212	L93-A131 HydrophobicContact CB-CB 4.02Å; L93-A131 HydrophobicContact CD2-CB 3.93Å; L93-A131 HydrophobicContact CG-CB 3.88Å; L93-A131 WeakPolarHBondContact O-CA 3.31Å; V95-A131 HydrophobicContact CG2-CB 3.96Å; R129-A131 VanDerWaalsContact C-N 3.26Å; R129-A131 PolarHBondContact O-N 2.83Å; A131-F212 HydrophobicContact CB-CD1 4.27Å; A131-F212 HydrophobicContact CB-CE1 3.45Å; A131-F212 VanDerWaalsContact CB-CE1 3.45Å; A131-F212 HydrophobicContact CB-CZ 3.78Å
132	E	94.4	Very high	84.5	Confident	20 Å²	20	45 Å²	45	9%	0.093	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	148.2	160.6	-68.2	-54.1	147.3	0	0	110	V87 A88 P91 L93 L94 V95 R129	V87-E132 HydrophobicContact CG1-CB 3.7Å; V87-E132 HydrophobicContact CG1-CG 3.9Å; A88-E132 HydrophobicContact CB-CG 4.11Å; P91-E132 HydrophobicContact CB-CB 4.32Å; P91-E132 HydrophobicContact CB-CG 3.73Å; P91-E132 HydrophobicContact CG-CB 4.32Å; P91-E132 HydrophobicContact CG-CG 4.07Å; L93-E132 PolarHBondContact O-N 2.81Å; L94-E132 HydrophobicContact CD1-CB 3.98Å; V95-E132 PolarHBondContact N-O 2.77Å; R129-E132 IonicContact NH1-OE1 3.34Å; R129-E132 IonicContact NH1-OE2 2.63Å; R129-E132 PolarHBondContact NH1-OE2 3.32Å
133	V	95.4	Very high	84	Confident	0 Å²	0	50 Å²	50	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	129.9	-177.6	-175.8	0	0	0	0	109.6	F84 V95 M115 L118 F155	F84-V133 HydrophobicContact CD1-CB 3.79Å; F84-V133 HydrophobicContact CD1-CG2 3.96Å; F84-V133 HydrophobicContact CE1-CB 4.09Å; F84-V133 HydrophobicContact CE1-CG2 3.72Å; F84-V133 HydrophobicContact CG-CB 4.28Å; F84-V133 HydrophobicContact CZ-CG2 4.35Å; V95-V133 HydrophobicContact CB-CG2 4.43Å; V95-V133 CarbonylContact O-C 3.5Å; V95-V133 WeakPolarHBondContact O-CA 3.49Å; M115-V133 HydrophobicContact CE-CG1 3.9Å; M115-V133 HydrophobicContact SD-CG1 4.35Å; L118-V133 HydrophobicContact CD1-CG1 4.12Å; V133-F155 HydrophobicContact CB-CD1 4.14Å; V133-F155 HydrophobicContact CB-CE1 4.05Å; V133-F155 HydrophobicContact CG1-CD1 3.97Å; V133-F155 HydrophobicContact CG1-CE1 3.89Å
134	L	95.6	Very high	84.2	Confident	2 Å²	2	53.6 Å²	53.6	1%	0.01	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	141.2	-177.7	178.7	76.5	0	0	0	109.8	L94 V95 T96 V97 K156 I158 L192	L94-L134 HydrophobicContact CD1-CB 3.99Å; V95-L134 PolarHBondContact O-N 3.4Å; T96-L134 CarbonylContact C-O 3.53Å; T96-L134 WeakPolarHBondContact CA-O 3.39Å; T96-L134 HydrophobicContact CG2-CD2 4.09Å; V97-L134 PolarHBondContact N-O 3.06Å; L134-K156 HydrophobicContact CD1-CB 3.77Å; L134-K156 HydrophobicContact CD1-CG 3.66Å; L134-K156 VanDerWaalsContact CD1-O 3.23Å; L134-K156 WeakPolarHBondContact CD1-O 3.36Å; L134-I158 HydrophobicContact CD1-CD1 3.89Å; L134-I158 HydrophobicContact CD1-CG1 3.75Å; L134-I158 HydrophobicContact CD2-CD1 3.49Å; L134-I158 VanDerWaalsContact CD2-CD1 3.49Å; L134-I158 HydrophobicContact CD2-CG1 4.1Å; L134-I158 HydrophobicContact CG-CD1 4.15Å; L134-I158 HydrophobicContact CG-CG1 4.24Å; L134-L192 HydrophobicContact CD1-CD2 3.95Å
135	L	97.1	Very high	85	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	128.4	171.6	-175.3	60.7	0	0	0	110.4	V97 T99 L111 A148 L151 K156 V157 I158	V97-L135 HydrophobicContact CB-CD1 4.14Å; V97-L135 HydrophobicContact CG1-CD1 4.29Å; T99-L135 HydrophobicContact CG2-CD1 3.67Å; T99-L135 HydrophobicContact CG2-CG 4.23Å; L111-L135 HydrophobicContact CD1-CD1 3.6Å; L111-L135 HydrophobicContact CD2-CD1 4.14Å; L111-L135 HydrophobicContact CD2-CD2 4.15Å; L111-L135 HydrophobicContact CG-CD1 4.48Å; L135-A148 HydrophobicContact CD2-CB 3.83Å; L135-L151 HydrophobicContact CD2-CB 4.13Å; L135-L151 HydrophobicContact CD2-CD1 4Å; L135-K156 PolarHBondContact N-O 2.76Å; L135-V157 HydrophobicContact CB-CG1 4.41Å; L135-V157 HydrophobicContact CB-CG2 4.15Å; L135-V157 HydrophobicContact CD2-CG1 4.24Å; L135-V157 HydrophobicContact CD2-CG2 3.98Å; L135-V157 HydrophobicContact CG-CG1 4.26Å; L135-V157 HydrophobicContact CG-CG2 4.46Å; L135-V157 CarbonylContact O-C 3.6Å; L135-V157 VanDerWaalsContact O-CA 3.32Å; L135-V157 WeakPolarHBondContact O-CA 3.4Å; L135-I158 PolarHBondContact O-N 3.4Å
136	C	97.4	Very high	85.7	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.007	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	101.8	173.4	-173.1	0	0	0	0	109	T96 V97 V98 T99 C185	T96-C136 HydrophobicContact CG2-CB 3.82Å; V97-C136 PolarHBondContact O-N 2.92Å; V98-C136 WeakPolarHBondContact CA-O 3.39Å; T99-C136 PolarHBondContact N-O 3.36Å; C136-C185 HydrophobicContact CB-CB 3.7Å; C136-C185 WeakPolarHBondContact CB-SG 3.27Å; C136-C185 WeakPolarHBondContact SG-CA 3.42Å; C136-C185 WeakPolarHBondContact SG-CB 3.49Å; C136-C185 CovalentContact SG-SG 2.04Å; C136-C185 PolarHBondContact SG-SG 2.8Å
137	D	96.5	Very high	87.1	Confident	6 Å²	6	49.3 Å²	49.3	3%	0.032	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	106.2	178	179	28.4	0	0	0	109.2	T99 E139 N145 A148 V157 I158 R159	T99-D137 HydrophobicContact CG2-CB 4.08Å; D137-E139 VanDerWaalsContact C-N 3.29Å; D137-E139 WeakPolarHBondContact OD1-CB 3.34Å; D137-E139 PolarHBondContact OD1-N 2.87Å; D137-N145 PolarHBondContact OD1-ND2 2.92Å; D137-A148 HydrophobicContact CB-CB 4.1Å; D137-V157 HydrophobicContact CB-CG1 3.99Å; D137-I158 PolarHBondContact N-O 2.92Å; D137-R159 HydrophobicContact CB-CG 4.03Å; D137-R159 IonicContact OD2-CZ 3.54Å; D137-R159 IonicContact OD2-NE 3.03Å; D137-R159 PolarHBondContact OD2-NE 2.95Å; D137-R159 IonicContact OD2-NH2 3.44Å; D137-R159 PolarHBondContact OD2-NH2 3.32Å
138	V	94.1	Very high	88.4	Confident	5 Å²	5	45.4 Å²	45.4	3%	0.03	23%	0.225	C	C	.	.			trans	-96.1	18.8	-178.5	-62.9	0	0	0	0	112.1	V98 T99 S140 D181 F184 C185	V98-V138 HydrophobicContact CG1-CG1 4.35Å; V98-V138 HydrophobicContact CG1-CG2 4.1Å; T99-V138 VanDerWaalsContact O-CG2 3.23Å; T99-V138 WeakPolarHBondContact O-CG2 3.39Å; T99-V138 PolarHBondContact O-N 3.46Å; V138-S140 PolarHBondContact O-N 2.83Å; V138-D181 HydrophobicContact CB-CB 4Å; V138-D181 HydrophobicContact CG1-CB 3.93Å; V138-D181 HydrophobicContact CG2-CB 3.9Å; V138-F184 HydrophobicContact CG1-CD1 4.11Å; V138-C185 WeakPolarHBondContact CG1-SG 3.49Å
139	E	87.8	Confident	89.2	Confident	25 Å²	25	40.3 Å²	40.3	12%	0.117	21%	0.208	C	C	.	.			trans	-54	130.4	179.2	-174.7	50.8	-140	0	0	111.6	T100 R101 D137 G141 N145 Q165	T100-E139 PolarHBondContact OG1-OE2 2.81Å; R101-E139 WeakPolarHBondContact CA-OE2 3.34Å; R101-E139 VanDerWaalsContact CB-CD 3.45Å; R101-E139 HydrophobicContact CB-CG 4.26Å; R101-E139 WeakPolarHBondContact CB-OE2 3.49Å; R101-E139 PolarHBondContact N-OE2 2.84Å; D137-E139 VanDerWaalsContact C-N 3.29Å; D137-E139 WeakPolarHBondContact OD1-CB 3.34Å; D137-E139 PolarHBondContact OD1-N 2.87Å; E139-G141 WeakPolarHBondContact OE1-CA 3.42Å; E139-G141 PolarHBondContact OE1-N 3.12Å; E139-N145 HydrophobicContact CB-CB 4.3Å; E139-Q165 PolarHBondContact O-NE2 3.34Å
140	S	74.1	Confident	89.5	Confident	14 Å²	14	38.9 Å²	38.9	10%	0.098	21%	0.207	C	C	.	.			trans	-125.8	6.1	-177.6	58.3	0	0	0	0	112.1	V138 R169	V138-S140 PolarHBondContact O-N 2.83Å; S140-R169 PolarHBondContact O-NE 3.42Å; S140-R169 PolarHBondContact O-NH2 2.94Å
141	G	69.2	Low	89.6	Confident	28 Å²	28	37.7 Å²	37.7	29%	0.289	20%	0.199	S	C	.	.	S	Bend	trans	-79.2	174.2	172.4	0	0	0	0	0	113.3	E139 R169	E139-G141 WeakPolarHBondContact OE1-CA 3.42Å; E139-G141 PolarHBondContact OE1-N 3.12Å; G141-R169 PolarHBondContact O-NH2 3.12Å
142	P	63.8	Low	89.5	Confident	131 Å²	131	41.7 Å²	41.7	85%	0.851	22%	0.217	S	C	*	.	S	Bend	trans	-73	-18.4	172.7	30.7	-34.7	0	0	0	112.8
143	E	79.9	Confident	89.1	Confident	106 Å²	106	43 Å²	43	50%	0.495	24%	0.235	S	C	.	.	S	Bend	trans	-107.5	139.5	-175.9	-72.9	176.5	-162.5	0	0	110	R101	R101-E143 IonicContact CZ-OE2 2.99Å; R101-E143 IonicContact NH1-OE2 3.81Å; R101-E143 PolarHBondContact NH1-OE2 3.05Å; R101-E143 IonicContact NH2-OE2 2.59Å; R101-E143 PolarHBondContact NH2-OE2 3.08Å
144	E	85.6	Confident	88.8	Confident	121 Å²	121	44.4 Å²	44.4	57%	0.565	24%	0.242	S	C	*	.			trans	-71.3	153	-176.6	-64.8	176.5	171.3	0	0	112.8	Q146 K149	E144-Q146 PolarHBondContact O-N 2.92Å; E144-K149 WeakPolarHBondContact OE2-CD 3.3Å; E144-K149 WeakPolarHBondContact OE2-CE 3.15Å; E144-K149 IonicContact OE2-NZ 2.7Å; E144-K149 PolarHBondContact OE2-NZ 3.43Å
145	N	93.3	Very high	88.6	Confident	9 Å²	9	44.4 Å²	44.4	5%	0.048	24%	0.242	C	C	.	.			trans	-76.6	103.3	168.6	-174.7	-10.7	0	0	0	109.9	T99 R101 D137 E139 D147 A148 K149	T99-N145 WeakPolarHBondContact CG2-ND2 3.5Å; T99-N145 PolarHBondContact OG1-ND2 3.42Å; R101-N145 HydrophobicContact CB-CB 4.42Å; D137-N145 PolarHBondContact OD1-ND2 2.92Å; E139-N145 HydrophobicContact CB-CB 4.3Å; N145-D147 PolarHBondContact O-N 2.87Å; N145-D147 PolarHBondContact OD1-N 3.3Å; N145-A148 HydrophobicContact CB-CB 3.92Å; N145-A148 PolarHBondContact O-N 3.06Å; N145-A148 PolarHBondContact OD1-N 3.08Å; N145-K149 PolarHBondContact O-N 2.82Å
146	Q	93.3	Very high	88.5	Confident	133 Å²	133	48.9 Å²	48.9	62%	0.621	26%	0.261	S	S	*	.	H	α-helix	trans	-63	-40.7	-173.9	-68.2	179.2	-12.5	0	0	112.9	E144 K149 L150	E144-Q146 PolarHBondContact O-N 2.92Å; Q146-K149 PolarHBondContact O-N 2.78Å; Q146-L150 PolarHBondContact O-N 3.28Å
147	D	95.1	Very high	88.4	Confident	24 Å²	24	50 Å²	50	13%	0.128	27%	0.268	C	S	.	.	H	α-helix	trans	-64.3	-44	178	-71.5	-3.3	0	0	0	110.4	H109 L111 L112 N145 K149 L150 L151	H109-D147 WeakPolarHBondContact CA-OD2 3.42Å; H109-D147 IonicContact CE1-OD1 3.57Å; H109-D147 IonicContact CG-OD1 3.9Å; H109-D147 IonicContact ND1-OD1 2.79Å; H109-D147 PolarHBondContact ND1-OD1 3.31Å; H109-D147 IonicContact ND1-OD2 3.5Å; H109-D147 PolarHBondContact ND1-OD2 3.4Å; L111-D147 HydrophobicContact CB-CB 4.21Å; L111-D147 HydrophobicContact CD2-CB 3.84Å; L111-D147 HydrophobicContact CG-CB 4.42Å; L112-D147 HydrophobicContact CD2-CB 3.83Å; L112-D147 HydrophobicContact CG-CB 4Å; N145-D147 PolarHBondContact O-N 2.87Å; N145-D147 PolarHBondContact OD1-N 3.3Å; D147-K149 VanDerWaalsContact C-N 3.34Å; D147-K149 PolarHBondContact O-N 3.27Å; D147-L150 PolarHBondContact O-N 3.11Å; D147-L151 WeakPolarHBondContact O-CG 3.27Å; D147-L151 PolarHBondContact O-N 3.44Å
148	A	95.1	Very high	88.3	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-64.1	-39.4	177.2	0	0	0	0	0	112.1	T99 L111 L135 D137 N145 L151 E152	T99-A148 HydrophobicContact CG2-CB 4.27Å; L111-A148 HydrophobicContact CD2-CB 4.23Å; L135-A148 HydrophobicContact CD2-CB 3.83Å; D137-A148 HydrophobicContact CB-CB 4.1Å; N145-A148 HydrophobicContact CB-CB 3.92Å; N145-A148 PolarHBondContact O-N 3.06Å; N145-A148 PolarHBondContact OD1-N 3.08Å; A148-L151 PolarHBondContact O-N 3.44Å; A148-E152 PolarHBondContact O-N 3.31Å
149	K	93.6	Very high	88.3	Confident	109 Å²	109	54.5 Å²	54.5	47%	0.474	29%	0.285	S	S	.	.	H	α-helix	trans	-62	-43.4	176.1	-173.7	176.7	-167.6	160.4	0	112.2	E144 N145 Q146 D147 L151 E152	E144-K149 WeakPolarHBondContact OE2-CD 3.3Å; E144-K149 WeakPolarHBondContact OE2-CE 3.15Å; E144-K149 IonicContact OE2-NZ 2.7Å; E144-K149 PolarHBondContact OE2-NZ 3.43Å; N145-K149 PolarHBondContact O-N 2.82Å; Q146-K149 PolarHBondContact O-N 2.78Å; D147-K149 VanDerWaalsContact C-N 3.34Å; D147-K149 PolarHBondContact O-N 3.27Å; K149-L151 PolarHBondContact O-N 3.05Å; K149-E152 WeakPolarHBondContact O-CB 3.43Å; K149-E152 PolarHBondContact O-N 3.34Å
150	L	93.4	Very high	88.5	Confident	54 Å²	54	54.7 Å²	54.7	28%	0.283	29%	0.285	S	S	.	.	H	α-helix	trans	-60.2	-36.5	176.1	-179.3	61.2	0	0	0	111.5	L70 W73 Q74 L112 Q146 D147 E152	L70-L150 HydrophobicContact CD1-CD2 3.87Å; W73-L150 HydrophobicContact CB-CD2 3.74Å; W73-L150 HydrophobicContact CB-CG 4.07Å; Q74-L150 HydrophobicContact CG-CD1 4.32Å; Q74-L150 HydrophobicContact CG-CD2 4.12Å; L112-L150 HydrophobicContact CD1-CD2 4.04Å; L112-L150 HydrophobicContact CD2-CD2 4.42Å; Q146-L150 PolarHBondContact O-N 3.28Å; D147-L150 PolarHBondContact O-N 3.11Å; L150-E152 VanDerWaalsContact C-N 3.35Å; L150-E152 PolarHBondContact O-N 2.95Å
151	L	93.6	Very high	89.1	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-78.4	-11.5	-177.9	-68.8	169.3	0	0	0	114.7	W73 L111 L112 M115 L135 D147 A148 K149 G153 H154 F155	W73-L151 HydrophobicContact CD2-CD2 3.72Å; W73-L151 HydrophobicContact CE3-CD2 4.13Å; W73-L151 HydrophobicContact CG-CD2 4.06Å; W73-L151 HydrophobicContact CH2-CD2 4.48Å; W73-L151 HydrophobicContact CZ2-CD2 4.06Å; L111-L151 HydrophobicContact CD1-CD1 4.33Å; L111-L151 HydrophobicContact CD2-CD1 3.81Å; L111-L151 HydrophobicContact CG-CD1 3.76Å; L112-L151 HydrophobicContact CD2-CD1 3.77Å; L112-L151 HydrophobicContact CD2-CD2 4.06Å; L112-L151 HydrophobicContact CD2-CG 3.75Å; M115-L151 HydrophobicContact CB-CD1 4.07Å; M115-L151 HydrophobicContact CB-CD2 4.12Å; M115-L151 HydrophobicContact CG-CD1 3.67Å; L135-L151 HydrophobicContact CD2-CB 4.13Å; L135-L151 HydrophobicContact CD2-CD1 4Å; D147-L151 WeakPolarHBondContact O-CG 3.27Å; D147-L151 PolarHBondContact O-N 3.44Å; A148-L151 PolarHBondContact O-N 3.44Å; K149-L151 PolarHBondContact O-N 3.05Å; L151-G153 PolarHBondContact O-N 3.14Å; L151-H154 PolarHBondContact O-N 2.87Å; L151-F155 HydrophobicContact CB-CD2 4.23Å; L151-F155 HydrophobicContact CD2-CD2 3.98Å; L151-F155 HydrophobicContact CD2-CE2 3.91Å; L151-F155 PolarHBondContact O-N 3.25Å
152	E	91.3	Very high	89.8	Confident	88 Å²	88	60.1 Å²	60.1	41%	0.411	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-30.9	179.6	-74.3	-180	-178.8	0	0	113.8	A148 K149 L150 H154 V157 R159	A148-E152 PolarHBondContact O-N 3.31Å; K149-E152 WeakPolarHBondContact O-CB 3.43Å; K149-E152 PolarHBondContact O-N 3.34Å; L150-E152 VanDerWaalsContact C-N 3.35Å; L150-E152 PolarHBondContact O-N 2.95Å; E152-H154 PolarHBondContact O-N 3.17Å; E152-V157 HydrophobicContact CB-CG2 4.32Å; E152-V157 HydrophobicContact CG-CB 4.2Å; E152-V157 HydrophobicContact CG-CG2 3.62Å; E152-R159 IonicContact OE1-CZ 3Å; E152-R159 IonicContact OE1-NH1 2.62Å; E152-R159 PolarHBondContact OE1-NH1 3.04Å; E152-R159 IonicContact OE1-NH2 2.65Å; E152-R159 PolarHBondContact OE1-NH2 2.88Å
153	G	86.6	Confident	90.8	Very high	47 Å²	47	61.7 Å²	61.7	49%	0.485	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-13.4	175.6	0	0	0	0	0	113.8	L151	L151-G153 PolarHBondContact O-N 3.14Å
154	H	88.8	Confident	91.1	Very high	29 Å²	29	60.2 Å²	60.2	13%	0.134	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-33.5	-170.2	-58	-82.9	0	0	0	113.3	W73 F84 S85 L151 E152	W73-H154 HydrophobicContact CE3-CB 4.41Å; W73-H154 AromaticContact CE3-CD2 3.8Å; W73-H154 AromaticContact CE3-CG 3.83Å; W73-H154 AromaticContact CE3-NE2 3.98Å; W73-H154 HydrophobicContact CZ3-CB 3.92Å; W73-H154 AromaticContact CZ3-CG 3.7Å; W73-H154 AromaticContact CZ3-ND1 3.82Å; F84-H154 CarbonylContact C-O 3.51Å; F84-H154 WeakPolarHBondContact CA-O 3.34Å; F84-H154 PolarHBondContact N-O 2.85Å; S85-H154 PolarHBondContact N-O 3.04Å; L151-H154 PolarHBondContact O-N 2.87Å; E152-H154 PolarHBondContact O-N 3.17Å
155	F	92.2	Very high	90.9	Very high	3 Å²	3	56.6 Å²	56.6	1%	0.013	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-127.6	150.8	-176	-62.4	-90.9	0	0	0	110.9	W73 F84 M115 V133 L151 V157	W73-F155 AromaticContact CH2-CE2 3.44Å; W73-F155 HydrophobicContact CH2-CE2 3.44Å; W73-F155 VanDerWaalsContact CH2-CE2 3.44Å; W73-F155 AromaticContact CH2-CZ 3.78Å; W73-F155 HydrophobicContact CH2-CZ 3.78Å; W73-F155 AromaticContact CZ2-CE2 3.92Å; W73-F155 HydrophobicContact CZ2-CE2 3.92Å; W73-F155 HydrophobicContact CZ2-CZ 4.28Å; W73-F155 AromaticContact CZ3-CE2 3.95Å; W73-F155 HydrophobicContact CZ3-CE2 3.95Å; F84-F155 HydrophobicContact CB-CD1 3.34Å; F84-F155 HydrophobicContact CB-CE1 3.7Å; F84-F155 HydrophobicContact CB-CG 4.15Å; F84-F155 HydrophobicContact CD1-CE1 4.4Å; F84-F155 AromaticContact CD2-CD1 3.89Å; F84-F155 HydrophobicContact CD2-CD1 3.89Å; F84-F155 AromaticContact CD2-CE1 3.27Å; F84-F155 HydrophobicContact CD2-CE1 3.27Å; F84-F155 AromaticContact CD2-CZ 3.86Å; F84-F155 HydrophobicContact CD2-CZ 3.86Å; F84-F155 AromaticContact CE2-CE1 3.95Å; F84-F155 HydrophobicContact CE2-CE1 3.95Å; F84-F155 HydrophobicContact CE2-CZ 4.35Å; F84-F155 AromaticContact CG-CD1 3.75Å; F84-F155 HydrophobicContact CG-CD1 3.75Å; F84-F155 AromaticContact CG-CE1 3.55Å; F84-F155 HydrophobicContact CG-CE1 3.55Å; M115-F155 HydrophobicContact CB-CE2 4.37Å; M115-F155 HydrophobicContact CE-CB 4.2Å; M115-F155 HydrophobicContact CE-CD1 3.35Å; M115-F155 HydrophobicContact CE-CD2 3.55Å; M115-F155 HydrophobicContact CE-CE1 3.49Å; M115-F155 VanDerWaalsContact CE-CE1 3.49Å; M115-F155 HydrophobicContact CE-CE2 3.66Å; M115-F155 HydrophobicContact CE-CG 3.41Å; M115-F155 VanDerWaalsContact CE-CG 3.41Å; M115-F155 HydrophobicContact CE-CZ 3.64Å; V133-F155 HydrophobicContact CB-CD1 4.14Å; V133-F155 HydrophobicContact CB-CE1 4.05Å; V133-F155 HydrophobicContact CG1-CD1 3.97Å; V133-F155 HydrophobicContact CG1-CE1 3.89Å; L151-F155 HydrophobicContact CB-CD2 4.23Å; L151-F155 HydrophobicContact CD2-CD2 3.98Å; L151-F155 HydrophobicContact CD2-CE2 3.91Å; L151-F155 PolarHBondContact O-N 3.25Å; F155-V157 PolarHBondContact O-N 3.46Å
156	K	93.9	Very high	90.4	Very high	94 Å²	94	60.5 Å²	60.5	41%	0.409	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	122.8	166	-176.6	65.9	175	-177.3	0	109.4	F84 V87 L134 L135 L192	F84-K156 PolarHBondContact O-N 2.79Å; V87-K156 HydrophobicContact CG2-CB 3.55Å; V87-K156 HydrophobicContact CG2-CG 4.15Å; L134-K156 HydrophobicContact CD1-CB 3.77Å; L134-K156 HydrophobicContact CD1-CG 3.66Å; L134-K156 VanDerWaalsContact CD1-O 3.23Å; L134-K156 WeakPolarHBondContact CD1-O 3.36Å; L135-K156 PolarHBondContact N-O 2.76Å; K156-L192 HydrophobicContact CG-CD2 4.02Å
157	V	94.8	Very high	89.9	Confident	23 Å²	23	56.6 Å²	56.6	14%	0.139	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	129.9	176.3	-169.5	0	0	0	0	109.9	L135 D137 E152 F155 R159	L135-V157 HydrophobicContact CB-CG1 4.41Å; L135-V157 HydrophobicContact CB-CG2 4.15Å; L135-V157 HydrophobicContact CD2-CG1 4.24Å; L135-V157 HydrophobicContact CD2-CG2 3.98Å; L135-V157 HydrophobicContact CG-CG1 4.26Å; L135-V157 HydrophobicContact CG-CG2 4.46Å; L135-V157 CarbonylContact O-C 3.6Å; L135-V157 VanDerWaalsContact O-CA 3.32Å; L135-V157 WeakPolarHBondContact O-CA 3.4Å; D137-V157 HydrophobicContact CB-CG1 3.99Å; E152-V157 HydrophobicContact CB-CG2 4.32Å; E152-V157 HydrophobicContact CG-CB 4.2Å; E152-V157 HydrophobicContact CG-CG2 3.62Å; F155-V157 PolarHBondContact O-N 3.46Å; V157-R159 HydrophobicContact CG1-CG 4.41Å
158	I	94.6	Very high	89.2	Confident	16 Å²	16	55.6 Å²	55.6	8%	0.082	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	136	172.7	-57	-170.5	0	0	0	108.8	L134 L135 D137 F184 Q188 L192	L134-I158 HydrophobicContact CD1-CD1 3.89Å; L134-I158 HydrophobicContact CD1-CG1 3.75Å; L134-I158 HydrophobicContact CD2-CD1 3.49Å; L134-I158 VanDerWaalsContact CD2-CD1 3.49Å; L134-I158 HydrophobicContact CD2-CG1 4.1Å; L134-I158 HydrophobicContact CG-CD1 4.15Å; L134-I158 HydrophobicContact CG-CG1 4.24Å; L135-I158 PolarHBondContact O-N 3.4Å; D137-I158 PolarHBondContact N-O 2.92Å; I158-F184 HydrophobicContact CG2-CE1 4.08Å; I158-F184 HydrophobicContact CG2-CZ 3.98Å; I158-Q188 HydrophobicContact CD1-CB 3.87Å; I158-Q188 HydrophobicContact CG2-CB 3.83Å; I158-Q188 HydrophobicContact CG2-CG 4.04Å; I158-L192 HydrophobicContact CD1-CD2 4.03Å
159	R	94.2	Very high	88.5	Confident	90 Å²	90	61.1 Å²	61.1	34%	0.34	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	153.9	173.7	-65.7	-169.9	179.9	86.9	-1.3	110.5	D137 E152 V157	D137-R159 HydrophobicContact CB-CG 4.03Å; D137-R159 IonicContact OD2-CZ 3.54Å; D137-R159 IonicContact OD2-NE 3.03Å; D137-R159 PolarHBondContact OD2-NE 2.95Å; D137-R159 IonicContact OD2-NH2 3.44Å; D137-R159 PolarHBondContact OD2-NH2 3.32Å; E152-R159 IonicContact OE1-CZ 3Å; E152-R159 IonicContact OE1-NH1 2.62Å; E152-R159 PolarHBondContact OE1-NH1 3.04Å; E152-R159 IonicContact OE1-NH2 2.65Å; E152-R159 PolarHBondContact OE1-NH2 2.88Å; V157-R159 HydrophobicContact CG1-CG 4.41Å
160	R	91.8	Very high	88	Confident	30 Å²	30	62.2 Å²	62.2	11%	0.113	32%	0.321	C	S	.	.			trans	-63.9	145.2	168.8	-72.2	178	-177.1	-90.6	1.6	110.1	E164 Q165 R180 D181 F184	R160-E164 HydrophobicContact CB-CB 3.96Å; R160-E164 HydrophobicContact CG-CB 4.25Å; R160-Q165 HydrophobicContact CB-CG 3.56Å; R160-R180 PolarHBondContact NH2-O 2.94Å; R160-D181 IonicContact CZ-OD1 3.93Å; R160-D181 IonicContact NE-OD1 3.76Å; R160-D181 PolarHBondContact NE-OD1 3.15Å; R160-D181 IonicContact NH2-OD1 2.69Å; R160-D181 PolarHBondContact NH2-OD1 3.22Å; R160-F184 HydrophobicContact CB-CE2 4.38Å; R160-F184 HydrophobicContact CB-CZ 4.17Å; R160-F184 HydrophobicContact CG-CD1 3.95Å; R160-F184 HydrophobicContact CG-CD2 3.91Å; R160-F184 HydrophobicContact CG-CE1 3.72Å; R160-F184 HydrophobicContact CG-CE2 3.65Å; R160-F184 HydrophobicContact CG-CG 4.05Å; R160-F184 HydrophobicContact CG-CZ 3.56Å
161	S	87.5	Confident	87.4	Confident	57 Å²	57	60.6 Å²	60.6	40%	0.399	31%	0.314	S	S	.	.			trans	-64.9	160.7	165.2	65.1	0	0	0	0	111.2	Q163 E164 Q165	S161-Q163 PolarHBondContact O-N 3.19Å; S161-Q163 VanDerWaalsContact O-N 3.17Å; S161-E164 WeakPolarHBondContact CB-OE2 3.23Å; S161-E164 PolarHBondContact N-OE2 2.87Å; S161-E164 PolarHBondContact O-N 2.91Å; S161-E164 VanDerWaalsContact O-N 3.08Å; S161-E164 VanDerWaalsContact OG-CD 3.32Å; S161-E164 VanDerWaalsContact OG-CG 3.27Å; S161-E164 WeakPolarHBondContact OG-CG 3.42Å; S161-E164 PolarHBondContact OG-N 3.22Å; S161-E164 PolarHBondContact OG-OE2 3.16Å; S161-Q165 WeakPolarHBondContact O-CG 3.3Å; S161-Q165 PolarHBondContact O-N 3.06Å
162	S	84.2	Confident	87	Confident	98 Å²	98	64.8 Å²	64.8	69%	0.685	34%	0.341	S	S	*	.	H	α-helix	trans	-56.9	-34.8	-179.8	-47.8	0	0	0	0	113	Q166	S162-Q166 PolarHBondContact O-N 2.65Å; S162-Q166 VanDerWaalsContact O-N 3.12Å
163	Q	83.9	Confident	87	Confident	165 Å²	165	62.6 Å²	62.6	77%	0.771	33%	0.332	S	S	*	.	H	α-helix	trans	-68.5	-44.8	176.8	-173.9	178.1	1.7	0	0	111.6	S161 Q165 Q166 A167	S161-Q163 PolarHBondContact O-N 3.19Å; S161-Q163 VanDerWaalsContact O-N 3.17Å; Q163-Q165 VanDerWaalsContact C-N 3.34Å; Q163-Q166 PolarHBondContact O-N 3.1Å; Q163-A167 PolarHBondContact O-N 3.16Å; Q163-A167 VanDerWaalsContact O-N 3.11Å
164	E	85.5	Confident	87.2	Confident	75 Å²	75	63.1 Å²	63.1	35%	0.35	33%	0.327	S	S	.	.	H	α-helix	trans	-67.7	-34.5	177.4	-69.3	168.4	121.1	0	0	112.3	R160 S161 N168	R160-E164 HydrophobicContact CB-CB 3.96Å; R160-E164 HydrophobicContact CG-CB 4.25Å; S161-E164 WeakPolarHBondContact CB-OE2 3.23Å; S161-E164 PolarHBondContact N-OE2 2.87Å; S161-E164 PolarHBondContact O-N 2.91Å; S161-E164 VanDerWaalsContact O-N 3.08Å; S161-E164 VanDerWaalsContact OG-CD 3.32Å; S161-E164 VanDerWaalsContact OG-CG 3.27Å; S161-E164 WeakPolarHBondContact OG-CG 3.42Å; S161-E164 PolarHBondContact OG-N 3.22Å; S161-E164 PolarHBondContact OG-OE2 3.16Å; E164-N168 WeakPolarHBondContact O-CB 3.35Å; E164-N168 PolarHBondContact O-N 3.32Å
165	Q	83.3	Confident	87.5	Confident	45 Å²	45	63.7 Å²	63.7	21%	0.21	33%	0.329	C	S	.	.	H	α-helix	trans	-62.6	-46.7	174	-73.9	177.6	-22.3	0	0	111	E139 R160 S161 Q163 N168 R169	E139-Q165 PolarHBondContact O-NE2 3.34Å; R160-Q165 HydrophobicContact CB-CG 3.56Å; S161-Q165 WeakPolarHBondContact O-CG 3.3Å; S161-Q165 PolarHBondContact O-N 3.06Å; Q163-Q165 VanDerWaalsContact C-N 3.34Å; Q165-N168 PolarHBondContact O-N 3.4Å; Q165-R169 WeakPolarHBondContact O-CG 3.09Å; Q165-R169 PolarHBondContact O-N 3.4Å
166	Q	81.3	Confident	87.6	Confident	90 Å²	90	63.9 Å²	63.9	42%	0.421	33%	0.33	S	S	.	.	H	α-helix	trans	-61.2	-47.2	178.8	-175.6	59.1	28	0	0	111.5	S162 Q163 N168 R169 E170	S162-Q166 PolarHBondContact O-N 2.65Å; S162-Q166 VanDerWaalsContact O-N 3.12Å; Q163-Q166 PolarHBondContact O-N 3.1Å; Q166-N168 PolarHBondContact O-N 3.21Å; Q166-R169 WeakPolarHBondContact O-CB 3.39Å; Q166-R169 PolarHBondContact O-N 2.78Å; Q166-E170 PolarHBondContact NE2-OE1 3.01Å; Q166-E170 WeakPolarHBondContact O-CG 3.21Å; Q166-E170 PolarHBondContact O-N 3.42Å
167	A	82.6	Confident	87.6	Confident	52 Å²	52	62.7 Å²	62.7	43%	0.43	32%	0.323	S	S	.	.	H	α-helix	trans	-61.4	-30.4	176.5	0	0	0	0	0	113.2	Q163 R180	Q163-A167 PolarHBondContact O-N 3.16Å; Q163-A167 VanDerWaalsContact O-N 3.11Å; A167-R180 PolarHBondContact O-NH1 3.02Å; A167-R180 VanDerWaalsContact O-NH1 3.16Å
168	N	82.1	Confident	87.5	Confident	2 Å²	2	63.3 Å²	63.3	1%	0.011	32%	0.324	C	S	.	.	H	α-helix	trans	-79.5	-34.2	176.9	-161.9	46.6	0	0	0	113	E164 Q165 Q166 E170 S171 R180 D181	E164-N168 WeakPolarHBondContact O-CB 3.35Å; E164-N168 PolarHBondContact O-N 3.32Å; Q165-N168 PolarHBondContact O-N 3.4Å; Q166-N168 PolarHBondContact O-N 3.21Å; N168-E170 PolarHBondContact O-N 3.48Å; N168-S171 WeakPolarHBondContact O-CB 3.25Å; N168-S171 PolarHBondContact O-N 3.05Å; N168-R180 WeakPolarHBondContact OD1-CB 3.43Å; N168-R180 WeakPolarHBondContact OD1-CD 3.43Å; N168-D181 PolarHBondContact ND2-OD1 3.29Å
169	R	79.9	Confident	87.5	Confident	116 Å²	116	62.9 Å²	62.9	44%	0.438	32%	0.321	S	S	.	.	H	α-helix	trans	-61	-34.5	172.9	-75.7	174.1	177.9	-179.9	-3.6	112.2	S140 G141 Q165 Q166 S171	S140-R169 PolarHBondContact O-NE 3.42Å; S140-R169 PolarHBondContact O-NH2 2.94Å; G141-R169 PolarHBondContact O-NH2 3.12Å; Q165-R169 WeakPolarHBondContact O-CG 3.09Å; Q165-R169 PolarHBondContact O-N 3.4Å; Q166-R169 WeakPolarHBondContact O-CB 3.39Å; Q166-R169 PolarHBondContact O-N 2.78Å; R169-S171 PolarHBondContact O-N 3.22Å
170	E	82.4	Confident	87.6	Confident	133 Å²	133	62.3 Å²	62.3	62%	0.621	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	4.7	176	-68.2	170.6	-165.4	0	0	113.1	Q166 N168	Q166-E170 PolarHBondContact NE2-OE1 3.01Å; Q166-E170 WeakPolarHBondContact O-CG 3.21Å; Q166-E170 PolarHBondContact O-N 3.42Å; N168-E170 PolarHBondContact O-N 3.48Å
171	S	80.5	Confident	87.8	Confident	19 Å²	19	61.5 Å²	61.5	13%	0.133	32%	0.317	C	S	.	.			trans	-58.5	130.8	175.3	-176.7	0	0	0	0	110.8	N168 R169 N173 R177	N168-S171 WeakPolarHBondContact O-CB 3.25Å; N168-S171 PolarHBondContact O-N 3.05Å; R169-S171 PolarHBondContact O-N 3.22Å; S171-N173 PolarHBondContact O-N 3.14Å; S171-N173 PolarHBondContact OG-O 3.45Å; S171-R177 PolarHBondContact OG-N 2.72Å
172	P	85.3	Confident	88.2	Confident	88 Å²	88	59.1 Å²	59.1	57%	0.571	30%	0.299	S	S	*	.	S	Bend	trans	-69.1	-21.7	-172.1	27.4	-36.4	0	0	0	113.1	E176 F345	P172-E176 HydrophobicContact CG-CG 4.45Å; P172-F345 HydrophobicContact CG-CE2 3.76Å; P172-F345 HydrophobicContact CG-CZ 3.51Å
173	N	92.2	Very high	88.8	Confident	42 Å²	42	54.7 Å²	54.7	23%	0.225	27%	0.268	C	S	.	.	S	Bend	trans	-154.6	162.3	179.8	76.2	81.8	0	0	0	112.5	S171 F175 E176 R177 C346	S171-N173 PolarHBondContact O-N 3.14Å; S171-N173 PolarHBondContact OG-O 3.45Å; N173-F175 PolarHBondContact O-N 2.98Å; N173-F175 WeakPolarHBondContact OD1-CA 3.44Å; N173-F175 VanDerWaalsContact OD1-CB 3.27Å; N173-F175 WeakPolarHBondContact OD1-CB 3.35Å; N173-F175 PolarHBondContact OD1-N 2.98Å; N173-E176 PolarHBondContact O-N 2.89Å; N173-E176 PolarHBondContact OD1-N 2.93Å; N173-R177 PolarHBondContact O-N 3.25Å; N173-C346 PolarHBondContact ND2-O 3.34Å; N173-C346 PolarHBondContact OD1-O 2.96Å
174	T	91.2	Very high	89.4	Confident	59 Å²	59	47.5 Å²	47.5	36%	0.362	24%	0.235	S	C	.	.	H	α-helix	trans	-59.2	-40.2	-178.6	-54.8	0	0	0	0	114.2	R177 E178 V385	T174-R177 PolarHBondContact O-N 2.94Å; T174-E178 WeakPolarHBondContact O-CG 3.47Å; T174-E178 PolarHBondContact O-N 2.71Å; T174-V385 HydrophobicContact CG2-CB 4.43Å; T174-V385 HydrophobicContact CG2-CG1 2.97Å
175	F	93.9	Very high	90	Very high	41 Å²	41	44 Å²	44	18%	0.18	22%	0.218	C	C	.	.	H	α-helix	trans	-68.7	-38.4	-179	-57.4	-86.4	0	0	0	111.7	N173 R177 K179 C346 K348 A351	N173-F175 PolarHBondContact O-N 2.98Å; N173-F175 WeakPolarHBondContact OD1-CA 3.44Å; N173-F175 VanDerWaalsContact OD1-CB 3.27Å; N173-F175 WeakPolarHBondContact OD1-CB 3.35Å; N173-F175 PolarHBondContact OD1-N 2.98Å; F175-R177 VanDerWaalsContact C-N 3.35Å; F175-K179 WeakPolarHBondContact O-CB 3.37Å; F175-K179 PolarHBondContact O-N 2.65Å; F175-C346 HydrophobicContact CB-CB 4.01Å; F175-C346 WeakPolarHBondContact O-CB 3.26Å; F175-K348 HydrophobicContact CD2-CB 4.36Å; F175-K348 HydrophobicContact CE2-CB 3.62Å; F175-K348 HydrophobicContact CE2-CG 4.21Å; F175-K348 HydrophobicContact CZ-CB 3.93Å; F175-K348 HydrophobicContact CZ-CG 4.07Å; F175-A351 HydrophobicContact CD1-CB 3.7Å; F175-A351 HydrophobicContact CE1-CB 4.29Å
176	E	94.9	Very high	90.6	Very high	7 Å²	7	41.9 Å²	41.9	3%	0.033	21%	0.208	C	C	.	.	H	α-helix	trans	-67.7	-36.8	174.4	-178.5	60	-163.1	0	0	111.5	P172 N173 K179 R180 F345 C346	P172-E176 HydrophobicContact CG-CG 4.45Å; N173-E176 PolarHBondContact O-N 2.89Å; N173-E176 PolarHBondContact OD1-N 2.93Å; E176-K179 WeakPolarHBondContact O-CB 3.44Å; E176-K179 PolarHBondContact O-N 3.26Å; E176-K179 WeakPolarHBondContact OE1-CE 3.41Å; E176-K179 IonicContact OE1-NZ 3.46Å; E176-K179 PolarHBondContact OE1-NZ 2.75Å; E176-K179 WeakPolarHBondContact OE2-CE 3.49Å; E176-K179 IonicContact OE2-NZ 3.23Å; E176-K179 PolarHBondContact OE2-NZ 2.97Å; E176-R180 VanDerWaalsContact O-CG 3.3Å; E176-R180 WeakPolarHBondContact O-CG 3.48Å; E176-R180 PolarHBondContact O-N 2.88Å; E176-R180 IonicContact OE1-CZ 2.73Å; E176-R180 IonicContact OE1-NE 3.86Å; E176-R180 PolarHBondContact OE1-NE 2.94Å; E176-R180 VanDerWaalsContact OE1-NE 3.14Å; E176-R180 IonicContact OE1-NH2 3.77Å; E176-F345 HydrophobicContact CB-CE2 4.39Å; E176-F345 HydrophobicContact CG-CD2 4.26Å; E176-F345 HydrophobicContact CG-CE2 3.86Å; E176-F345 HydrophobicContact CG-CZ 4.47Å; E176-C346 PolarHBondContact OE2-N 2.85Å
177	R	92.7	Very high	91.4	Very high	69 Å²	69	41 Å²	41	26%	0.26	20%	0.201	S	C	.	.	H	α-helix	trans	-63.4	-52.3	173	-170.5	179.9	69.6	-177.3	3.7	111.5	S171 N173 T174 F175 K179 R180 D181	S171-R177 PolarHBondContact OG-N 2.72Å; N173-R177 PolarHBondContact O-N 3.25Å; T174-R177 PolarHBondContact O-N 2.94Å; F175-R177 VanDerWaalsContact C-N 3.35Å; R177-K179 PolarHBondContact O-N 3.02Å; R177-R180 PolarHBondContact O-N 2.92Å; R177-D181 VanDerWaalsContact O-CG 3.31Å; R177-D181 PolarHBondContact O-N 3.44Å
178	E	93.2	Very high	92	Very high	36 Å²	36	41.1 Å²	41.1	17%	0.168	19%	0.193	C	C	.	.	H	α-helix	trans	-54.4	-40	176.5	-75.1	176.3	-172.7	0	0	111.9	T174 Y182 V385	T174-E178 WeakPolarHBondContact O-CG 3.47Å; T174-E178 PolarHBondContact O-N 2.71Å; E178-Y182 VanDerWaalsContact O-CB 3.32Å; E178-Y182 WeakPolarHBondContact O-CB 3.19Å; E178-Y182 PolarHBondContact O-N 2.93Å; E178-V385 HydrophobicContact CG-CG1 4.16Å; E178-V385 WeakPolarHBondContact OE1-CG1 3.49Å
179	K	95.6	Very high	92.7	Very high	6 Å²	6	41 Å²	41	3%	0.026	19%	0.192	C	C	.	.	H	α-helix	trans	-63.4	-50.2	175.2	-174.3	-155	84	-175.7	0	111.9	F175 E176 R177 D181 Y182 V183 L341 S344 C346	F175-K179 WeakPolarHBondContact O-CB 3.37Å; F175-K179 PolarHBondContact O-N 2.65Å; E176-K179 WeakPolarHBondContact O-CB 3.44Å; E176-K179 PolarHBondContact O-N 3.26Å; E176-K179 WeakPolarHBondContact OE1-CE 3.41Å; E176-K179 IonicContact OE1-NZ 3.46Å; E176-K179 PolarHBondContact OE1-NZ 2.75Å; E176-K179 WeakPolarHBondContact OE2-CE 3.49Å; E176-K179 IonicContact OE2-NZ 3.23Å; E176-K179 PolarHBondContact OE2-NZ 2.97Å; R177-K179 PolarHBondContact O-N 3.02Å; K179-D181 VanDerWaalsContact C-N 3.28Å; K179-D181 PolarHBondContact O-N 2.98Å; K179-Y182 WeakPolarHBondContact O-CB 3.28Å; K179-Y182 PolarHBondContact O-N 2.84Å; K179-V183 WeakPolarHBondContact O-CG2 3.32Å; K179-V183 PolarHBondContact O-N 3.14Å; K179-L341 HydrophobicContact CD-CB 4.37Å; K179-L341 WeakPolarHBondContact CD-O 3.5Å; K179-L341 WeakPolarHBondContact CE-O 3.32Å; K179-L341 HydrophobicContact CG-CB 4.07Å; K179-L341 HydrophobicContact CG-CD2 4.25Å; K179-L341 PolarHBondContact NZ-O 2.96Å; K179-S344 PolarHBondContact NZ-O 3.19Å; K179-C346 HydrophobicContact CB-CB 4.18Å; K179-C346 HydrophobicContact CD-CB 4.15Å; K179-C346 WeakPolarHBondContact CD-SG 3.38Å
180	R	95.4	Very high	93.5	Very high	78 Å²	78	39 Å²	39	29%	0.294	19%	0.185	S	C	.	.	H	α-helix	trans	-61.6	-37.6	-179.8	-73.7	174	-175.7	-168.4	-1.2	111.9	R160 A167 N168 E176 R177 F184	R160-R180 PolarHBondContact NH2-O 2.94Å; A167-R180 PolarHBondContact O-NH1 3.02Å; A167-R180 VanDerWaalsContact O-NH1 3.16Å; N168-R180 WeakPolarHBondContact OD1-CB 3.43Å; N168-R180 WeakPolarHBondContact OD1-CD 3.43Å; E176-R180 VanDerWaalsContact O-CG 3.3Å; E176-R180 WeakPolarHBondContact O-CG 3.48Å; E176-R180 PolarHBondContact O-N 2.88Å; E176-R180 IonicContact OE1-CZ 2.73Å; E176-R180 IonicContact OE1-NE 3.86Å; E176-R180 PolarHBondContact OE1-NE 2.94Å; E176-R180 VanDerWaalsContact OE1-NE 3.14Å; E176-R180 IonicContact OE1-NH2 3.77Å; R177-R180 PolarHBondContact O-N 2.92Å; R180-F184 VanDerWaalsContact O-CB 3.3Å; R180-F184 WeakPolarHBondContact O-CB 3.37Å; R180-F184 PolarHBondContact O-N 2.69Å
181	D	95.2	Very high	94.1	Very high	14 Å²	14	37.6 Å²	37.6	8%	0.075	18%	0.178	C	C	.	.	H	α-helix	trans	-66.1	-44.8	176.1	-69.1	-20.9	0	0	0	111.4	V138 R160 N168 R177 K179 V183 F184 C185	V138-D181 HydrophobicContact CB-CB 4Å; V138-D181 HydrophobicContact CG1-CB 3.93Å; V138-D181 HydrophobicContact CG2-CB 3.9Å; R160-D181 IonicContact CZ-OD1 3.93Å; R160-D181 IonicContact NE-OD1 3.76Å; R160-D181 PolarHBondContact NE-OD1 3.15Å; R160-D181 IonicContact NH2-OD1 2.69Å; R160-D181 PolarHBondContact NH2-OD1 3.22Å; N168-D181 PolarHBondContact ND2-OD1 3.29Å; R177-D181 VanDerWaalsContact O-CG 3.31Å; R177-D181 PolarHBondContact O-N 3.44Å; K179-D181 VanDerWaalsContact C-N 3.28Å; K179-D181 PolarHBondContact O-N 2.98Å; D181-V183 PolarHBondContact O-N 3.04Å; D181-F184 PolarHBondContact O-N 3.2Å; D181-C185 PolarHBondContact O-N 3Å; D181-C185 PolarHBondContact O-SG 3.25Å
182	Y	96.4	Very high	94.7	Very high	6 Å²	6	39.7 Å²	39.7	2%	0.024	19%	0.187	C	C	.	.	H	α-helix	trans	-57.7	-48.4	174.3	-161.3	-89.4	0	0	0	112.1	E178 K179 C185 L186 L200 M327 F329 V337 L341 K352	E178-Y182 VanDerWaalsContact O-CB 3.32Å; E178-Y182 WeakPolarHBondContact O-CB 3.19Å; E178-Y182 PolarHBondContact O-N 2.93Å; K179-Y182 WeakPolarHBondContact O-CB 3.28Å; K179-Y182 PolarHBondContact O-N 2.84Å; Y182-C185 PolarHBondContact O-N 2.98Å; Y182-L186 HydrophobicContact CD1-CD1 3.82Å; Y182-L186 HydrophobicContact CD1-CG 4.3Å; Y182-L186 HydrophobicContact CE1-CD1 3.71Å; Y182-L186 HydrophobicContact CE1-CG 4.25Å; Y182-L186 WeakPolarHBondContact O-CG 3.42Å; Y182-L186 PolarHBondContact O-N 2.99Å; Y182-L186 VanDerWaalsContact O-N 3.11Å; Y182-L200 HydrophobicContact CD1-CD2 3.88Å; Y182-L200 HydrophobicContact CD2-CD2 3.57Å; Y182-L200 HydrophobicContact CE1-CD2 3.66Å; Y182-L200 HydrophobicContact CE2-CD2 3.34Å; Y182-L200 HydrophobicContact CE2-CG 4.11Å; Y182-L200 HydrophobicContact CG-CD2 3.83Å; Y182-M327 WeakPolarHBondContact OH-CB 3.37Å; Y182-M327 VanDerWaalsContact OH-CG 3.28Å; Y182-M327 WeakPolarHBondContact OH-CG 3.41Å; Y182-F329 HydrophobicContact CE1-CZ 4.12Å; Y182-F329 WeakPolarHBondContact OH-CE2 3.49Å; Y182-F329 WeakPolarHBondContact OH-CZ 2.83Å; Y182-V337 HydrophobicContact CE1-CG1 4.49Å; Y182-L341 HydrophobicContact CD1-CD1 3.75Å; Y182-L341 HydrophobicContact CE1-CD1 4.26Å; Y182-K352 HydrophobicContact CD2-CD 4.08Å; Y182-K352 HydrophobicContact CG-CD 4.25Å
183	V	97.3	Very high	95.2	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.03	16%	0.161	C	C	.	.	H	α-helix	trans	-62.9	-45	178.1	169.6	0	0	0	0	111.8	K179 D181 C185 L186 R187 A338 L341 D342	K179-V183 WeakPolarHBondContact O-CG2 3.32Å; K179-V183 PolarHBondContact O-N 3.14Å; D181-V183 PolarHBondContact O-N 3.04Å; V183-C185 VanDerWaalsContact C-N 3.34Å; V183-C185 PolarHBondContact O-N 2.89Å; V183-L186 PolarHBondContact O-N 2.93Å; V183-R187 PolarHBondContact O-N 3.45Å; V183-A338 HydrophobicContact CG1-CB 4.06Å; V183-L341 HydrophobicContact CG2-CB 3.57Å; V183-L341 HydrophobicContact CG2-CD1 3.95Å; V183-L341 HydrophobicContact CG2-CG 4.42Å; V183-D342 WeakPolarHBondContact CG1-OD1 3.25Å
184	F	96.8	Very high	95.4	Very high	15 Å²	15	38.8 Å²	38.8	7%	0.066	17%	0.173	C	C	.	.	H	α-helix	trans	-56.1	-49.6	178	171.5	-98.3	0	0	0	111.1	V138 I158 R160 R180 D181 L186 R187 Q188	V138-F184 HydrophobicContact CG1-CD1 4.11Å; I158-F184 HydrophobicContact CG2-CE1 4.08Å; I158-F184 HydrophobicContact CG2-CZ 3.98Å; R160-F184 HydrophobicContact CB-CE2 4.38Å; R160-F184 HydrophobicContact CB-CZ 4.17Å; R160-F184 HydrophobicContact CG-CD1 3.95Å; R160-F184 HydrophobicContact CG-CD2 3.91Å; R160-F184 HydrophobicContact CG-CE1 3.72Å; R160-F184 HydrophobicContact CG-CE2 3.65Å; R160-F184 HydrophobicContact CG-CG 4.05Å; R160-F184 HydrophobicContact CG-CZ 3.56Å; R180-F184 VanDerWaalsContact O-CB 3.3Å; R180-F184 WeakPolarHBondContact O-CB 3.37Å; R180-F184 PolarHBondContact O-N 2.69Å; D181-F184 PolarHBondContact O-N 3.2Å; F184-L186 PolarHBondContact O-N 3.18Å; F184-R187 PolarHBondContact O-N 2.97Å; F184-Q188 HydrophobicContact CD1-CG 4.49Å; F184-Q188 HydrophobicContact CD2-CG 3.88Å; F184-Q188 HydrophobicContact CE1-CG 4.14Å; F184-Q188 HydrophobicContact CE2-CG 3.48Å; F184-Q188 VanDerWaalsContact CE2-CG 3.48Å; F184-Q188 HydrophobicContact CG-CG 4.37Å; F184-Q188 HydrophobicContact CZ-CG 3.61Å; F184-Q188 WeakPolarHBondContact O-CB 3.2Å; F184-Q188 WeakPolarHBondContact O-CG 3.41Å; F184-Q188 PolarHBondContact O-N 3.05Å
185	C	97.4	Very high	95.7	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.007	16%	0.158	C	C	.	.	H	α-helix	trans	-65.8	-35.7	-179.5	-61.9	0	0	0	0	113.3	T96 V98 C136 V138 D181 Y182 V183 G189 L200	T96-C185 HydrophobicContact CG2-CB 4.23Å; V98-C185 HydrophobicContact CG2-CB 3.85Å; C136-C185 HydrophobicContact CB-CB 3.7Å; C136-C185 WeakPolarHBondContact CB-SG 3.27Å; C136-C185 WeakPolarHBondContact SG-CA 3.42Å; C136-C185 WeakPolarHBondContact SG-CB 3.49Å; C136-C185 CovalentContact SG-SG 2.04Å; C136-C185 PolarHBondContact SG-SG 2.8Å; V138-C185 WeakPolarHBondContact CG1-SG 3.49Å; D181-C185 PolarHBondContact O-N 3Å; D181-C185 PolarHBondContact O-SG 3.25Å; Y182-C185 PolarHBondContact O-N 2.98Å; V183-C185 VanDerWaalsContact C-N 3.34Å; V183-C185 PolarHBondContact O-N 2.89Å; C185-G189 PolarHBondContact O-N 3.42Å; C185-L200 HydrophobicContact CB-CD1 4.09Å
186	L	97.3	Very high	95.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62.3	-49.2	173.8	-73.8	177.2	0	0	0	111.7	Y182 V183 F184 W190 M198 L200 F329 V337 A338	Y182-L186 HydrophobicContact CD1-CD1 3.82Å; Y182-L186 HydrophobicContact CD1-CG 4.3Å; Y182-L186 HydrophobicContact CE1-CD1 3.71Å; Y182-L186 HydrophobicContact CE1-CG 4.25Å; Y182-L186 WeakPolarHBondContact O-CG 3.42Å; Y182-L186 PolarHBondContact O-N 2.99Å; Y182-L186 VanDerWaalsContact O-N 3.11Å; V183-L186 PolarHBondContact O-N 2.93Å; F184-L186 PolarHBondContact O-N 3.18Å; L186-W190 WeakPolarHBondContact O-CB 3.5Å; L186-W190 PolarHBondContact O-N 3.29Å; L186-W190 VanDerWaalsContact O-N 3.12Å; L186-M198 HydrophobicContact CD2-SD 3.63Å; L186-M198 WeakPolarHBondContact O-CE 3.01Å; L186-L200 HydrophobicContact CD2-CB 4.3Å; L186-L200 HydrophobicContact CD2-CD2 3.72Å; L186-L200 HydrophobicContact CD2-CG 4.48Å; L186-L200 HydrophobicContact CG-CD2 3.84Å; L186-F329 HydrophobicContact CD2-CD2 3.88Å; L186-F329 HydrophobicContact CD2-CE2 3.71Å; L186-F329 HydrophobicContact CD2-CZ 4.44Å; L186-V337 HydrophobicContact CD1-CB 4.46Å; L186-V337 HydrophobicContact CD1-CG1 3.75Å; L186-A338 HydrophobicContact CD1-CB 4.38Å
187	R	97.2	Very high	95.9	Very high	71 Å²	71	41.8 Å²	41.8	27%	0.268	18%	0.182	S	C	.	.	H	α-helix	trans	-67.8	-49.4	-177.6	-74.2	-166.5	175	133.6	3.8	111.7	V183 F184 G189 W190 E191 A338 D339 D342	V183-R187 PolarHBondContact O-N 3.45Å; F184-R187 PolarHBondContact O-N 2.97Å; R187-G189 PolarHBondContact O-N 3.36Å; R187-W190 PolarHBondContact O-N 2.96Å; R187-W190 VanDerWaalsContact O-N 3.12Å; R187-E191 WeakPolarHBondContact O-CB 3.4Å; R187-E191 VanDerWaalsContact O-CG 3.32Å; R187-E191 WeakPolarHBondContact O-CG 3.3Å; R187-E191 PolarHBondContact O-N 3.17Å; R187-A338 HydrophobicContact CG-CB 4.17Å; R187-D339 IonicContact CZ-OD1 3.34Å; R187-D339 IonicContact NH2-OD1 3.6Å; R187-D339 PolarHBondContact NH2-OD1 3.17Å; R187-D342 IonicContact CZ-OD2 3.59Å; R187-D342 IonicContact NH1-OD2 3.47Å; R187-D342 PolarHBondContact NH1-OD2 2.94Å; R187-D342 IonicContact NH2-OD2 3.6Å; R187-D342 PolarHBondContact NH2-OD2 3.2Å
188	Q	96	Very high	96.2	Very high	55 Å²	55	38.5 Å²	38.5	26%	0.257	17%	0.17	S	C	.	.	H	α-helix	trans	-63.6	-41.3	-178.5	-71.4	-57.7	-57.8	0	0	112.6	I158 F184 W190 E191 L192	I158-Q188 HydrophobicContact CD1-CB 3.87Å; I158-Q188 HydrophobicContact CG2-CB 3.83Å; I158-Q188 HydrophobicContact CG2-CG 4.04Å; F184-Q188 HydrophobicContact CD1-CG 4.49Å; F184-Q188 HydrophobicContact CD2-CG 3.88Å; F184-Q188 HydrophobicContact CE1-CG 4.14Å; F184-Q188 HydrophobicContact CE2-CG 3.48Å; F184-Q188 VanDerWaalsContact CE2-CG 3.48Å; F184-Q188 HydrophobicContact CG-CG 4.37Å; F184-Q188 HydrophobicContact CZ-CG 3.61Å; F184-Q188 WeakPolarHBondContact O-CB 3.2Å; F184-Q188 WeakPolarHBondContact O-CG 3.41Å; F184-Q188 PolarHBondContact O-N 3.05Å; Q188-W190 VanDerWaalsContact C-N 3.3Å; Q188-W190 PolarHBondContact O-N 2.85Å; Q188-E191 PolarHBondContact NE2-OE2 3.36Å; Q188-E191 PolarHBondContact O-N 2.97Å; Q188-L192 VanDerWaalsContact O-CB 3.3Å; Q188-L192 WeakPolarHBondContact O-CB 3.39Å; Q188-L192 PolarHBondContact O-N 3.09Å
189	G	95.5	Very high	96.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.2	-37.2	174.9	0	0	0	0	0	112.4	L94 C185 R187 M198	L94-G189 WeakPolarHBondContact CD2-O 3.4Å; C185-G189 PolarHBondContact O-N 3.42Å; R187-G189 PolarHBondContact O-N 3.36Å; G189-M198 VanDerWaalsContact C-CE 3.42Å
190	W	96.4	Very high	96.6	Very high	74 Å²	74	36.6 Å²	36.6	28%	0.28	16%	0.162	S	C	.	.	H	α-helix	trans	-72.4	-44.5	176.7	-173.2	93.5	0	0	0	112.5	L186 R187 Q188 L192 K194 M198 L335	L186-W190 WeakPolarHBondContact O-CB 3.5Å; L186-W190 PolarHBondContact O-N 3.29Å; L186-W190 VanDerWaalsContact O-N 3.12Å; R187-W190 PolarHBondContact O-N 2.96Å; R187-W190 VanDerWaalsContact O-N 3.12Å; Q188-W190 VanDerWaalsContact C-N 3.3Å; Q188-W190 PolarHBondContact O-N 2.85Å; W190-L192 VanDerWaalsContact C-N 3.3Å; W190-L192 PolarHBondContact O-N 3.05Å; W190-K194 HydrophobicContact CH2-CG 4.44Å; W190-K194 WeakPolarHBondContact O-CA 3.25Å; W190-K194 PolarHBondContact O-N 3.17Å; W190-M198 HydrophobicContact CB-CE 4.42Å; W190-L335 HydrophobicContact CB-CD2 4.03Å; W190-L335 HydrophobicContact CD2-CD1 3.72Å; W190-L335 HydrophobicContact CD2-CD2 3.95Å; W190-L335 HydrophobicContact CD2-CG 4.06Å; W190-L335 HydrophobicContact CE3-CD1 4.02Å; W190-L335 HydrophobicContact CE3-CD2 4.16Å; W190-L335 HydrophobicContact CG-CD1 4.24Å; W190-L335 HydrophobicContact CG-CD2 3.86Å; W190-L335 HydrophobicContact CG-CG 4.05Å; W190-L335 HydrophobicContact CH2-CD1 4.14Å; W190-L335 HydrophobicContact CZ2-CD1 3.84Å; W190-L335 HydrophobicContact CZ3-CD1 4.22Å
191	E	95.4	Very high	96.7	Very high	103 Å²	103	33 Å²	33	48%	0.481	15%	0.148	S	C	.	.	H	α-helix	trans	-62.2	-38.2	-179.4	-75.6	170.1	-170.2	0	0	112.1	R187 Q188	R187-E191 WeakPolarHBondContact O-CB 3.4Å; R187-E191 VanDerWaalsContact O-CG 3.32Å; R187-E191 WeakPolarHBondContact O-CG 3.3Å; R187-E191 PolarHBondContact O-N 3.17Å; Q188-E191 PolarHBondContact NE2-OE2 3.36Å; Q188-E191 PolarHBondContact O-N 2.97Å
192	L	94.4	Very high	96.8	Very high	63 Å²	63	34.6 Å²	34.6	33%	0.33	16%	0.155	S	C	.	.	H	α-helix	trans	-66.5	-42.7	-176.5	-173.2	71.4	0	0	0	112.9	Q89 L134 K156 I158 Q188 W190	Q89-L192 PolarHBondContact NE2-O 2.95Å; L134-L192 HydrophobicContact CD1-CD2 3.95Å; K156-L192 HydrophobicContact CG-CD2 4.02Å; I158-L192 HydrophobicContact CD1-CD2 4.03Å; Q188-L192 VanDerWaalsContact O-CB 3.3Å; Q188-L192 WeakPolarHBondContact O-CB 3.39Å; Q188-L192 PolarHBondContact O-N 3.09Å; W190-L192 VanDerWaalsContact C-N 3.3Å; W190-L192 PolarHBondContact O-N 3.05Å
193	V	94.5	Very high	96.8	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.012	16%	0.156	C	C	.	.	H	α-helix	trans	-135.1	-4.4	-169.3	-57.3	0	0	0	0	115.9	V87 N90 P91 L94	V87-V193 HydrophobicContact CB-CG1 3.9Å; V87-V193 HydrophobicContact CG1-CB 4.4Å; V87-V193 HydrophobicContact CG1-CG1 3.55Å; V87-V193 HydrophobicContact CG1-CG2 4.4Å; N90-V193 VanDerWaalsContact CA-O 3.24Å; N90-V193 WeakPolarHBondContact CA-O 3.39Å; N90-V193 PolarHBondContact N-O 3.26Å; P91-V193 WeakPolarHBondContact CD-O 3.5Å; P91-V193 HydrophobicContact CG-CG2 4.07Å; L94-V193 HydrophobicContact CD1-CG2 4.28Å; L94-V193 HydrophobicContact CD2-CG2 3.75Å; L94-V193 HydrophobicContact CG-CG2 4.48Å
194	K	96.3	Very high	96.8	Very high	109 Å²	109	35 Å²	35	47%	0.474	16%	0.157	S	C	.	.			trans	49.5	57	176	-58.7	177.1	-177.5	175.5	0	113.5	W190	W190-K194 HydrophobicContact CH2-CG 4.44Å; W190-K194 WeakPolarHBondContact O-CA 3.25Å; W190-K194 PolarHBondContact O-N 3.17Å
195	P	97	Very high	96.8	Very high	7 Å²	7	34.2 Å²	34.2	5%	0.045	15%	0.154	C	C	.	.			trans	-68.6	154.4	-175.6	33.9	-37.6	0	0	0	112.1	P91 L94 M198	P91-P195 HydrophobicContact CG-CB 3.95Å; P91-P195 WeakPolarHBondContact O-CA 3.23Å; L94-P195 HydrophobicContact CB-CB 3.63Å; L94-P195 HydrophobicContact CB-CG 3.89Å; L94-P195 HydrophobicContact CD2-CB 4.48Å; L94-P195 HydrophobicContact CD2-CG 3.96Å; P195-M198 HydrophobicContact CG-CB 4.44Å
196	K	96.6	Very high	96.8	Very high	138 Å²	138	35 Å²	35	60%	0.6	16%	0.158	S	C	*	.	S	Bend	trans	-70.5	-37	171.7	-66.9	-175	-178	176.6	0	112.2	P91 G331	P91-K196 PolarHBondContact O-N 2.63Å; K196-G331 CarbonylContact O-C 3.38Å; K196-G331 WeakPolarHBondContact O-CA 3.27Å; K196-G331 PolarHBondContact O-N 2.5Å
197	N	97.8	Very high	96.8	Very high	25 Å²	25	35.1 Å²	35.1	13%	0.134	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	147.9	177.8	-52.8	-77.1	0	0	0	109	E92 L93 L94 L219 P330 G331	E92-N197 PolarHBondContact O-N 3Å; E92-N197 VanDerWaalsContact O-N 3.14Å; E92-N197 PolarHBondContact O-ND2 2.7Å; L93-N197 WeakPolarHBondContact CA-O 3.5Å; L93-N197 HydrophobicContact CD1-CB 3.94Å; L94-N197 PolarHBondContact N-O 3.36Å; N197-L219 HydrophobicContact CB-CD1 4.05Å; N197-L219 HydrophobicContact CB-CD2 4.31Å; N197-L219 WeakPolarHBondContact OD1-CD2 3.4Å; N197-P330 WeakPolarHBondContact OD1-CA 3.4Å; N197-G331 PolarHBondContact OD1-N 3.11Å
198	M	97.9	Very high	96.8	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	136.1	-177.3	-176.5	-177.5	-113.9	0	0	110.8	L94 L186 G189 W190 P195 F329	L94-M198 HydrophobicContact CD2-CE 3.61Å; L94-M198 CarbonylContact O-C 3.42Å; L94-M198 WeakPolarHBondContact O-CA 3.25Å; L186-M198 HydrophobicContact CD2-SD 3.63Å; L186-M198 WeakPolarHBondContact O-CE 3.01Å; G189-M198 VanDerWaalsContact C-CE 3.42Å; W190-M198 HydrophobicContact CB-CE 4.42Å; P195-M198 HydrophobicContact CG-CB 4.44Å; M198-F329 HydrophobicContact CB-CB 4.44Å; M198-F329 PolarHBondContact N-O 3.46Å; M198-F329 WeakPolarHBondContact O-CA 3.36Å; M198-F329 WeakPolarHBondContact O-CB 3.49Å; M198-F329 PolarHBondContact O-N 2.71Å
199	I	98.5	Very high	96.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	133.3	167.4	-65.7	172.5	0	0	0	107.6	L93 L94 V95 T96 L201 F211 V215 L232 M327 L328	L93-I199 HydrophobicContact CD1-CD1 3.92Å; L93-I199 HydrophobicContact CD1-CG1 3.95Å; L93-I199 HydrophobicContact CD2-CD1 4.12Å; L93-I199 HydrophobicContact CG-CD1 4.4Å; L94-I199 PolarHBondContact O-N 3.27Å; V95-I199 HydrophobicContact CG1-CG2 4.43Å; V95-I199 HydrophobicContact CG2-CB 4.27Å; V95-I199 HydrophobicContact CG2-CD1 4.35Å; T96-I199 PolarHBondContact N-O 3.27Å; I199-L201 HydrophobicContact CG2-CD2 3.6Å; I199-L201 HydrophobicContact CG2-CG 3.78Å; I199-F211 HydrophobicContact CD1-CE1 3.85Å; I199-F211 HydrophobicContact CD1-CZ 3.83Å; I199-F211 HydrophobicContact CG2-CZ 4.28Å; I199-V215 HydrophobicContact CD1-CG1 4.01Å; I199-V215 HydrophobicContact CD1-CG2 3.96Å; I199-L232 HydrophobicContact CD1-CD1 4.33Å; I199-L232 HydrophobicContact CG2-CD1 4.26Å; I199-M327 CarbonylContact C-O 3.54Å; I199-M327 VanDerWaalsContact CA-O 3.26Å; I199-M327 WeakPolarHBondContact CA-O 3.41Å; I199-L328 HydrophobicContact CD1-CD1 4.19Å; I199-L328 HydrophobicContact CG1-CB 4.07Å; I199-L328 HydrophobicContact CG1-CD1 3.55Å; I199-L328 HydrophobicContact CG1-CG 4.4Å
200	L	98.3	Very high	96.6	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	119.8	168.3	-160.5	61.5	0	0	0	108.5	T96 V98 Y182 C185 L186 A326 M327 F329	T96-L200 HydrophobicContact CG2-CD1 3.6Å; T96-L200 WeakPolarHBondContact O-CA 3.23Å; V98-L200 HydrophobicContact CG2-CD1 3.34Å; V98-L200 HydrophobicContact CG2-CD2 4.13Å; V98-L200 HydrophobicContact CG2-CG 3.72Å; Y182-L200 HydrophobicContact CD1-CD2 3.88Å; Y182-L200 HydrophobicContact CD2-CD2 3.57Å; Y182-L200 HydrophobicContact CE1-CD2 3.66Å; Y182-L200 HydrophobicContact CE2-CD2 3.34Å; Y182-L200 HydrophobicContact CE2-CG 4.11Å; Y182-L200 HydrophobicContact CG-CD2 3.83Å; C185-L200 HydrophobicContact CB-CD1 4.09Å; L186-L200 HydrophobicContact CD2-CB 4.3Å; L186-L200 HydrophobicContact CD2-CD2 3.72Å; L186-L200 HydrophobicContact CD2-CG 4.48Å; L186-L200 HydrophobicContact CG-CD2 3.84Å; L200-A326 WeakPolarHBondContact O-CA 3.35Å; L200-M327 PolarHBondContact N-O 2.66Å; L200-M327 PolarHBondContact O-N 3.44Å; L200-F329 HydrophobicContact CB-CE2 3.96Å
201	L	98.1	Very high	96.6	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	141.1	176.8	-61.4	-177	0	0	0	109.7	V95 T96 V97 V98 L118 I199 P207 F211 P325 A326 V376	V95-L201 HydrophobicContact CG1-CD1 3.6Å; V95-L201 HydrophobicContact CG1-CG 3.96Å; T96-L201 PolarHBondContact O-N 3.45Å; V97-L201 CarbonylContact C-O 3.53Å; V97-L201 WeakPolarHBondContact CA-O 3.4Å; V97-L201 HydrophobicContact CG2-CB 4.34Å; V98-L201 PolarHBondContact N-O 2.76Å; L118-L201 HydrophobicContact CD1-CD1 4.2Å; L118-L201 HydrophobicContact CD2-CD1 4.35Å; I199-L201 HydrophobicContact CG2-CD2 3.6Å; I199-L201 HydrophobicContact CG2-CG 3.78Å; L201-P207 HydrophobicContact CD1-CG 4.04Å; L201-F211 HydrophobicContact CD2-CZ 4.4Å; L201-P325 CarbonylContact C-O 3.53Å; L201-P325 WeakPolarHBondContact CA-O 3.39Å; L201-A326 HydrophobicContact CD2-CB 3.36Å; L201-V376 HydrophobicContact CD2-CG1 4.33Å
202	E	97.5	Very high	96.7	Very high	48 Å²	48	29.4 Å²	29.4	22%	0.224	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	154.3	162.8	-66.7	178.7	175.7	0	0	109	D204 A205 P325 K352	E202-D204 PolarHBondContact O-N 2.9Å; E202-D204 VanDerWaalsContact O-N 3.08Å; E202-A205 WeakPolarHBondContact O-CB 3.34Å; E202-A205 PolarHBondContact O-N 2.86Å; E202-P325 HydrophobicContact CB-CB 4.43Å; E202-P325 PolarHBondContact N-O 3.01Å; E202-K352 IonicContact OE1-NZ 2.79Å; E202-K352 PolarHBondContact OE1-NZ 3.24Å
203	D	96.6	Very high	96.7	Very high	7 Å²	7	30.7 Å²	30.7	4%	0.037	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	0.9	-172.9	61.6	-3.1	0	0	0	115.2	V97 V98 T99 R102 Y110 L111 V114	V97-D203 HydrophobicContact CG1-CB 4.22Å; V98-D203 WeakPolarHBondContact O-CB 3.48Å; V98-D203 PolarHBondContact O-N 3.41Å; V98-D203 VanDerWaalsContact O-N 3.11Å; T99-D203 WeakPolarHBondContact CA-OD2 3.32Å; T99-D203 WeakPolarHBondContact CB-OD2 3.46Å; T99-D203 PolarHBondContact OG1-OD2 2.8Å; R102-D203 IonicContact CZ-OD1 3.44Å; R102-D203 VanDerWaalsContact CZ-OD1 3.3Å; R102-D203 IonicContact CZ-OD2 3.82Å; R102-D203 IonicContact NH1-OD1 3.74Å; R102-D203 PolarHBondContact NH1-OD1 2.89Å; R102-D203 IonicContact NH1-OD2 3Å; R102-D203 PolarHBondContact NH1-OD2 3.3Å; R102-D203 IonicContact NH2-OD1 2.65Å; R102-D203 PolarHBondContact NH2-OD1 2.96Å; R102-D203 IonicContact NH2-OD2 2.69Å; Y110-D203 CarbonylContact C-O 3.57Å; Y110-D203 WeakPolarHBondContact CB-O 3.43Å; L111-D203 HydrophobicContact CB-CB 4.1Å; L111-D203 HydrophobicContact CD1-CB 3.9Å; L111-D203 PolarHBondContact N-O 3.33Å; V114-D203 VanDerWaalsContact CG2-O 3.31Å; V114-D203 WeakPolarHBondContact CG2-O 3.38Å
204	D	96.5	Very high	96.8	Very high	12 Å²	12	30.6 Å²	30.6	6%	0.064	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.5	15.9	171.8	55.8	14.6	0	0	0	113.2	R102 Y110 E202 H378 I379	R102-D204 IonicContact NH2-OD2 3.3Å; R102-D204 PolarHBondContact NH2-OD2 2.9Å; Y110-D204 HydrophobicContact CG-CB 4.25Å; E202-D204 PolarHBondContact O-N 2.9Å; E202-D204 VanDerWaalsContact O-N 3.08Å; D204-H378 CarbonylContact O-C 3.17Å; D204-H378 WeakPolarHBondContact O-CA 3.48Å; D204-H378 IonicContact OD1-CD2 3.87Å; D204-H378 IonicContact OD1-NE2 3.9Å; D204-H378 IonicContact OD2-NE2 2.87Å; D204-I379 HydrophobicContact CB-CG1 4.25Å; D204-I379 VanDerWaalsContact O-CG1 3.31Å; D204-I379 WeakPolarHBondContact O-CG1 3.43Å; D204-I379 PolarHBondContact O-N 3.1Å
205	A	97.6	Very high	96.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	88.7	172.6	0	0	0	0	0	110.8	E202 P207 P325 A326 V376	E202-A205 WeakPolarHBondContact O-CB 3.34Å; E202-A205 PolarHBondContact O-N 2.86Å; A205-P207 VanDerWaalsContact O-CD 3.24Å; A205-P207 WeakPolarHBondContact O-CD 3.34Å; A205-P325 HydrophobicContact CB-CB 4.21Å; A205-P325 VanDerWaalsContact CB-O 3.27Å; A205-P325 WeakPolarHBondContact CB-O 3.23Å; A205-A326 HydrophobicContact CB-CB 4.49Å; A205-V376 HydrophobicContact CB-CB 4.37Å; A205-V376 HydrophobicContact CB-CG2 4.2Å
206	L	97.8	Very high	96.8	Very high	17 Å²	17	31.8 Å²	31.8	9%	0.089	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	117.4	-176	-173.3	68.1	0	0	0	112.1	V114 Q117 V376 T377 I379	V114-L206 HydrophobicContact CG2-CD1 4.38Å; Q117-L206 HydrophobicContact CB-CD1 3.66Å; Q117-L206 HydrophobicContact CG-CD1 3.98Å; L206-V376 CarbonylContact O-C 3.11Å; L206-V376 WeakPolarHBondContact O-CA 3.45Å; L206-V376 WeakPolarHBondContact O-CB 3.36Å; L206-T377 WeakPolarHBondContact CB-O 3.39Å; L206-T377 PolarHBondContact N-O 2.94Å; L206-T377 PolarHBondContact O-N 3.34Å; L206-I379 HydrophobicContact CB-CD1 4.15Å; L206-I379 HydrophobicContact CB-CG1 4.3Å; L206-I379 HydrophobicContact CB-CG2 3.86Å; L206-I379 HydrophobicContact CD2-CG2 4.03Å
207	P	97.5	Very high	96.7	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.019	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	141.7	179.7	-20.8	35.6	0	0	0	114.1	Q117 L118 I121 L201 A205 F211	Q117-P207 VanDerWaalsContact CG-O 3.26Å; Q117-P207 WeakPolarHBondContact CG-O 3.36Å; Q117-P207 PolarHBondContact NE2-O 3.02Å; Q117-P207 VanDerWaalsContact NE2-O 3.13Å; L118-P207 HydrophobicContact CD2-CG 3.78Å; L118-P207 HydrophobicContact CG-CG 4.07Å; I121-P207 HydrophobicContact CD1-CB 3.76Å; L201-P207 HydrophobicContact CD1-CG 4.04Å; A205-P207 VanDerWaalsContact O-CD 3.24Å; A205-P207 WeakPolarHBondContact O-CD 3.34Å; P207-F211 HydrophobicContact CB-CB 4.04Å; P207-F211 HydrophobicContact CB-CD1 4.34Å; P207-F211 HydrophobicContact CB-CD2 3.76Å; P207-F211 HydrophobicContact CB-CE2 4.28Å; P207-F211 HydrophobicContact CB-CG 3.8Å
208	G	95.8	Very high	96.7	Very high	20 Å²	20	25.6 Å²	25.6	21%	0.206	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-70.7	169.2	170.7	0	0	0	0	0	113.5	D210 F211 L375	G208-D210 VanDerWaalsContact C-N 3.28Å; G208-D210 PolarHBondContact O-N 3.43Å; G208-F211 VanDerWaalsContact O-CB 3.24Å; G208-F211 WeakPolarHBondContact O-CB 3.48Å; G208-F211 PolarHBondContact O-N 3.44Å; G208-L375 PolarHBondContact N-O 2.87Å
209	E	94.1	Very high	96.7	Very high	115 Å²	115	27 Å²	27	54%	0.537	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-34.7	177.6	-58.1	-55.3	127	0	0	112.8	Q117 R120 F211	Q117-E209 PolarHBondContact NE2-OE1 2.98Å; R120-E209 IonicContact CZ-OE1 3.2Å; R120-E209 IonicContact CZ-OE2 2.8Å; R120-E209 IonicContact NH1-OE1 2.7Å; R120-E209 IonicContact NH1-OE2 2.63Å; R120-E209 PolarHBondContact NH1-OE2 3.17Å; R120-E209 IonicContact NH2-OE1 2.95Å; R120-E209 PolarHBondContact NH2-OE1 3.2Å; R120-E209 IonicContact NH2-OE2 3.64Å; R120-E209 PolarHBondContact NH2-OE2 3.21Å; E209-F211 VanDerWaalsContact C-N 3.28Å; E209-F211 PolarHBondContact O-N 3.3Å
210	D	94.3	Very high	96.5	Very high	35 Å²	35	31.3 Å²	31.3	19%	0.187	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	4.6	-177.3	61.8	-23.7	0	0	0	113.4	G208 F212 T213 V214 R308 Y314	G208-D210 VanDerWaalsContact C-N 3.28Å; G208-D210 PolarHBondContact O-N 3.43Å; D210-F212 PolarHBondContact O-N 3.28Å; D210-T213 PolarHBondContact O-N 3.34Å; D210-V214 HydrophobicContact CB-CG2 4.19Å; D210-V214 WeakPolarHBondContact O-CG2 3.49Å; D210-V214 PolarHBondContact O-N 3.12Å; D210-R308 IonicContact OD1-NH1 2.61Å; D210-R308 IonicContact OD2-NH1 2.73Å; D210-Y314 PolarHBondContact OD2-OH 3.37Å
211	F	97	Very high	96.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-50.2	-57.4	-171.1	-177	-96.6	0	0	0	113.3	I121 I199 L201 P207 G208 E209 V214 V215 L232 L375 V376	I121-F211 HydrophobicContact CD1-CB 3.97Å; I199-F211 HydrophobicContact CD1-CE1 3.85Å; I199-F211 HydrophobicContact CD1-CZ 3.83Å; I199-F211 HydrophobicContact CG2-CZ 4.28Å; L201-F211 HydrophobicContact CD2-CZ 4.4Å; P207-F211 HydrophobicContact CB-CB 4.04Å; P207-F211 HydrophobicContact CB-CD1 4.34Å; P207-F211 HydrophobicContact CB-CD2 3.76Å; P207-F211 HydrophobicContact CB-CE2 4.28Å; P207-F211 HydrophobicContact CB-CG 3.8Å; G208-F211 VanDerWaalsContact O-CB 3.24Å; G208-F211 WeakPolarHBondContact O-CB 3.48Å; G208-F211 PolarHBondContact O-N 3.44Å; E209-F211 VanDerWaalsContact C-N 3.28Å; E209-F211 PolarHBondContact O-N 3.3Å; F211-V214 PolarHBondContact O-N 3.04Å; F211-V215 HydrophobicContact CD1-CG2 4.43Å; F211-V215 HydrophobicContact CE1-CG2 4.23Å; F211-V215 HydrophobicContact CZ-CG2 4.34Å; F211-V215 WeakPolarHBondContact O-CB 3.39Å; F211-V215 VanDerWaalsContact O-CG2 3.25Å; F211-V215 WeakPolarHBondContact O-CG2 3.48Å; F211-V215 PolarHBondContact O-N 3.45Å; F211-L232 HydrophobicContact CE2-CD1 3.86Å; F211-L232 HydrophobicContact CZ-CD1 3.92Å; F211-L375 HydrophobicContact CD2-CB 3.78Å; F211-L375 HydrophobicContact CE2-CB 4.14Å; F211-V376 HydrophobicContact CD2-CG1 4.17Å; F211-V376 HydrophobicContact CE2-CG1 3.73Å
212	F	96.3	Very high	96.2	Very high	13 Å²	13	44.7 Å²	44.7	6%	0.057	22%	0.22	C	C	.	.	H	α-helix	trans	-71.7	-34.9	-176.5	-72.9	-58.3	0	0	0	113	L93 V95 L118 I121 A122 C130 A131 D210 V214 V215 K216	L93-F212 HydrophobicContact CD2-CD1 3.86Å; L93-F212 HydrophobicContact CD2-CE1 3.9Å; V95-F212 HydrophobicContact CG2-CE1 3.86Å; V95-F212 HydrophobicContact CG2-CZ 4.05Å; L118-F212 HydrophobicContact CD2-CZ 4.23Å; I121-F212 HydrophobicContact CB-CD2 4.42Å; I121-F212 HydrophobicContact CD1-CD2 4.25Å; I121-F212 HydrophobicContact CD1-CE2 4.14Å; I121-F212 HydrophobicContact CG1-CD2 3.91Å; I121-F212 HydrophobicContact CG1-CE2 3.71Å; I121-F212 WeakPolarHBondContact O-CD2 3.24Å; A122-F212 VanDerWaalsContact CA-CE2 3.47Å; A122-F212 HydrophobicContact CB-CE2 3.64Å; A122-F212 HydrophobicContact CB-CZ 4.12Å; C130-F212 HydrophobicContact CB-CB 3.84Å; C130-F212 HydrophobicContact CB-CD1 3.94Å; C130-F212 HydrophobicContact CB-CD2 3.63Å; C130-F212 HydrophobicContact CB-CE1 4.42Å; C130-F212 HydrophobicContact CB-CE2 4.12Å; C130-F212 HydrophobicContact CB-CG 3.52Å; A131-F212 HydrophobicContact CB-CD1 4.27Å; A131-F212 HydrophobicContact CB-CE1 3.45Å; A131-F212 VanDerWaalsContact CB-CE1 3.45Å; A131-F212 HydrophobicContact CB-CZ 3.78Å; D210-F212 PolarHBondContact O-N 3.28Å; F212-V214 VanDerWaalsContact C-N 3.33Å; F212-V214 PolarHBondContact O-N 2.88Å; F212-V215 PolarHBondContact O-N 2.84Å; F212-K216 WeakPolarHBondContact O-CB 3.34Å; F212-K216 PolarHBondContact O-N 3.3Å
213	T	94.7	Very high	96.1	Very high	90 Å²	90	44.6 Å²	44.6	55%	0.552	22%	0.219	S	C	*	.	H	α-helix	trans	-61.5	-44.6	176.2	-57.9	0	0	0	0	110.5	D210 D217 P311	D210-T213 PolarHBondContact O-N 3.34Å; T213-D217 PolarHBondContact O-N 2.84Å; T213-D217 VanDerWaalsContact O-N 3.17Å; T213-P311 HydrophobicContact CG2-CG 3.65Å
214	V	96.8	Very high	96	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-72.2	-41.5	177.9	-176.3	0	0	0	0	111.5	D210 F211 F212 K216 D217 L218 P311 Y314 L375	D210-V214 HydrophobicContact CB-CG2 4.19Å; D210-V214 WeakPolarHBondContact O-CG2 3.49Å; D210-V214 PolarHBondContact O-N 3.12Å; F211-V214 PolarHBondContact O-N 3.04Å; F212-V214 VanDerWaalsContact C-N 3.33Å; F212-V214 PolarHBondContact O-N 2.88Å; V214-K216 VanDerWaalsContact C-N 3.3Å; V214-K216 PolarHBondContact O-N 2.96Å; V214-D217 PolarHBondContact O-N 3.34Å; V214-L218 HydrophobicContact CG1-CD1 4.04Å; V214-L218 HydrophobicContact CG1-CG 4.15Å; V214-L218 VanDerWaalsContact O-CG 3.25Å; V214-L218 WeakPolarHBondContact O-CG 3.47Å; V214-L218 PolarHBondContact O-N 3.35Å; V214-P311 HydrophobicContact CG2-CB 4.25Å; V214-P311 HydrophobicContact CG2-CG 4.45Å; V214-Y314 HydrophobicContact CB-CE2 4.47Å; V214-Y314 HydrophobicContact CG1-CD1 3.91Å; V214-Y314 HydrophobicContact CG1-CD2 3.92Å; V214-Y314 HydrophobicContact CG1-CE1 4.18Å; V214-Y314 HydrophobicContact CG1-CE2 4.17Å; V214-Y314 HydrophobicContact CG1-CG 3.75Å; V214-Y314 HydrophobicContact CG2-CD2 3.9Å; V214-Y314 HydrophobicContact CG2-CE1 4.42Å; V214-Y314 HydrophobicContact CG2-CE2 3.45Å; V214-Y314 VanDerWaalsContact CG2-CE2 3.45Å; V214-L375 HydrophobicContact CB-CD1 4.07Å; V214-L375 HydrophobicContact CB-CD2 3.79Å; V214-L375 HydrophobicContact CG1-CD1 3.94Å; V214-L375 HydrophobicContact CG1-CD2 3.75Å; V214-L375 HydrophobicContact CG1-CG 4.44Å; V214-L375 HydrophobicContact CG2-CD2 4.06Å
215	V	97.2	Very high	95.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-57	-44.3	175.6	165.5	0	0	0	0	111.6	L93 I199 F211 F212 L218 L219 L232 L328 L375	L93-V215 HydrophobicContact CD1-CG1 4.42Å; L93-V215 HydrophobicContact CD2-CG1 3.69Å; I199-V215 HydrophobicContact CD1-CG1 4.01Å; I199-V215 HydrophobicContact CD1-CG2 3.96Å; F211-V215 HydrophobicContact CD1-CG2 4.43Å; F211-V215 HydrophobicContact CE1-CG2 4.23Å; F211-V215 HydrophobicContact CZ-CG2 4.34Å; F211-V215 WeakPolarHBondContact O-CB 3.39Å; F211-V215 VanDerWaalsContact O-CG2 3.25Å; F211-V215 WeakPolarHBondContact O-CG2 3.48Å; F211-V215 PolarHBondContact O-N 3.45Å; F212-V215 PolarHBondContact O-N 2.84Å; V215-L218 PolarHBondContact O-N 3.45Å; V215-L219 HydrophobicContact CG1-CD1 3.91Å; V215-L219 HydrophobicContact CG1-CG 4.45Å; V215-L219 WeakPolarHBondContact O-CG 3.28Å; V215-L219 PolarHBondContact O-N 3.36Å; V215-L232 HydrophobicContact CG2-CD1 4.49Å; V215-L328 HydrophobicContact CG1-CD2 4.32Å; V215-L375 HydrophobicContact CG2-CD1 4.02Å
216	K	95.4	Very high	95.3	Very high	140 Å²	140	56.4 Å²	56.4	61%	0.609	28%	0.278	S	S	*	.	H	α-helix	trans	-62.9	-43.7	178	-174.1	176.3	-177.4	175.6	0	111.7	F212 V214 L219 S220	F212-K216 WeakPolarHBondContact O-CB 3.34Å; F212-K216 PolarHBondContact O-N 3.3Å; V214-K216 VanDerWaalsContact C-N 3.3Å; V214-K216 PolarHBondContact O-N 2.96Å; K216-L219 PolarHBondContact O-N 3.34Å; K216-S220 PolarHBondContact O-N 2.83Å
217	D	96.3	Very high	95.2	Very high	33 Å²	33	55.8 Å²	55.8	18%	0.176	27%	0.274	C	S	.	.	H	α-helix	trans	-60.4	-45.8	174.5	-177.5	86.7	0	0	0	111.5	T213 V214 L219 S220 R221 P311	T213-D217 PolarHBondContact O-N 2.84Å; T213-D217 VanDerWaalsContact O-N 3.17Å; V214-D217 PolarHBondContact O-N 3.34Å; D217-L219 PolarHBondContact O-N 3.09Å; D217-S220 WeakPolarHBondContact O-CB 3.42Å; D217-S220 PolarHBondContact O-N 2.71Å; D217-S220 PolarHBondContact O-OG 3.24Å; D217-R221 WeakPolarHBondContact O-CG 3.33Å; D217-R221 PolarHBondContact O-N 2.8Å; D217-R221 IonicContact OD2-CZ 2.71Å; D217-R221 IonicContact OD2-NE 2.93Å; D217-R221 PolarHBondContact OD2-NE 3Å; D217-R221 IonicContact OD2-NH2 2.65Å; D217-R221 PolarHBondContact OD2-NH2 3.25Å; D217-P311 HydrophobicContact CB-CB 3.87Å
218	L	97.3	Very high	95.2	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-58.9	-46.7	176.6	-68.3	168.7	0	0	0	112.4	V214 V215 S220 R221 F223 V316 V371 L375	V214-L218 HydrophobicContact CG1-CD1 4.04Å; V214-L218 HydrophobicContact CG1-CG 4.15Å; V214-L218 VanDerWaalsContact O-CG 3.25Å; V214-L218 WeakPolarHBondContact O-CG 3.47Å; V214-L218 PolarHBondContact O-N 3.35Å; V215-L218 PolarHBondContact O-N 3.45Å; L218-S220 VanDerWaalsContact C-N 3.25Å; L218-S220 PolarHBondContact O-N 2.57Å; L218-R221 PolarHBondContact O-N 3.02Å; L218-F223 HydrophobicContact CB-CZ 4.41Å; L218-F223 HydrophobicContact CD2-CE1 4.35Å; L218-F223 HydrophobicContact CD2-CZ 4.03Å; L218-V316 HydrophobicContact CD2-CG2 3.67Å; L218-V371 HydrophobicContact CD1-CB 4.45Å; L218-V371 HydrophobicContact CD1-CG1 4.19Å; L218-V371 HydrophobicContact CD1-CG2 3.51Å; L218-V371 HydrophobicContact CD2-CG2 3.84Å; L218-V371 HydrophobicContact CG-CG2 4.34Å; L218-L375 HydrophobicContact CD1-CD1 4.23Å
219	L	96.7	Very high	95.3	Very high	32 Å²	32	54.7 Å²	54.7	17%	0.168	26%	0.264	C	S	.	.	H	α-helix	trans	-66.6	-26.5	179.4	-72.5	172.9	0	0	0	112.8	L93 N197 V215 K216 D217 R221 A224 L328 P330	L93-L219 HydrophobicContact CD1-CD1 4.46Å; N197-L219 HydrophobicContact CB-CD1 4.05Å; N197-L219 HydrophobicContact CB-CD2 4.31Å; N197-L219 WeakPolarHBondContact OD1-CD2 3.4Å; V215-L219 HydrophobicContact CG1-CD1 3.91Å; V215-L219 HydrophobicContact CG1-CG 4.45Å; V215-L219 WeakPolarHBondContact O-CG 3.28Å; V215-L219 PolarHBondContact O-N 3.36Å; K216-L219 PolarHBondContact O-N 3.34Å; D217-L219 PolarHBondContact O-N 3.09Å; L219-R221 VanDerWaalsContact C-N 3.3Å; L219-A224 HydrophobicContact CD2-CB 4.49Å; L219-L328 HydrophobicContact CD1-CD1 4.49Å; L219-L328 HydrophobicContact CD2-CD1 4.27Å; L219-L328 HydrophobicContact CD2-CD2 4.08Å; L219-L328 HydrophobicContact CD2-CG 4.49Å; L219-L328 HydrophobicContact CG-CD2 4.21Å; L219-P330 HydrophobicContact CD2-CB 4.18Å; L219-P330 HydrophobicContact CD2-CG 4.24Å
220	S	95.9	Very high	95.5	Very high	90 Å²	90	49.2 Å²	49.2	63%	0.629	24%	0.238	S	C	*	.	H	α-helix	trans	-72.4	-22.1	175.6	81.9	0	0	0	0	113.6	K216 D217 L218	K216-S220 PolarHBondContact O-N 2.83Å; D217-S220 WeakPolarHBondContact O-CB 3.42Å; D217-S220 PolarHBondContact O-N 2.71Å; D217-S220 PolarHBondContact O-OG 3.24Å; L218-S220 VanDerWaalsContact C-N 3.25Å; L218-S220 PolarHBondContact O-N 2.57Å
221	R	95.6	Very high	95.6	Very high	61 Å²	61	47.6 Å²	47.6	23%	0.23	23%	0.23	C	C	.	.	S	Bend	trans	-81.3	141.8	-176.8	-64	165.8	-174.3	-161.1	13.5	110.2	D217 L218 L219 F223 A224 P311 Y314	D217-R221 WeakPolarHBondContact O-CG 3.33Å; D217-R221 PolarHBondContact O-N 2.8Å; D217-R221 IonicContact OD2-CZ 2.71Å; D217-R221 IonicContact OD2-NE 2.93Å; D217-R221 PolarHBondContact OD2-NE 3Å; D217-R221 IonicContact OD2-NH2 2.65Å; D217-R221 PolarHBondContact OD2-NH2 3.25Å; L218-R221 PolarHBondContact O-N 3.02Å; L219-R221 VanDerWaalsContact C-N 3.3Å; R221-F223 HydrophobicContact CB-CD1 3.58Å; R221-F223 HydrophobicContact CB-CE1 3.62Å; R221-F223 HydrophobicContact CG-CE1 4.33Å; R221-F223 PolarHBondContact O-N 2.99Å; R221-A224 WeakPolarHBondContact O-CB 3.43Å; R221-A224 PolarHBondContact O-N 3.19Å; R221-A224 VanDerWaalsContact O-N 3.11Å; R221-P311 PolarHBondContact NH2-O 3.37Å; R221-Y314 PolarHBondContact NH1-O 2.96Å; R221-Y314 VanDerWaalsContact NH1-O 3.08Å
222	R	93.9	Very high	95.7	Very high	222 Å²	222	47.6 Å²	47.6	84%	0.838	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-56	-28.3	-174.9	-69.9	-172.3	-179.6	-170.9	0.5	115	A224 L225	R222-A224 PolarHBondContact O-N 3.19Å; R222-L225 PolarHBondContact O-N 2.96Å
223	F	94.1	Very high	95.7	Very high	46 Å²	46	48.7 Å²	48.7	20%	0.202	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-63.3	-29.9	-178.2	82.6	-89.7	0	0	0	112.3	L218 R221 L225 H226 T227 I230 V316 H369	L218-F223 HydrophobicContact CB-CZ 4.41Å; L218-F223 HydrophobicContact CD2-CE1 4.35Å; L218-F223 HydrophobicContact CD2-CZ 4.03Å; R221-F223 HydrophobicContact CB-CD1 3.58Å; R221-F223 HydrophobicContact CB-CE1 3.62Å; R221-F223 HydrophobicContact CG-CE1 4.33Å; R221-F223 PolarHBondContact O-N 2.99Å; F223-L225 PolarHBondContact O-N 3.37Å; F223-H226 PolarHBondContact O-N 3.1Å; F223-T227 PolarHBondContact O-OG1 3.48Å; F223-I230 HydrophobicContact CE2-CD1 3.61Å; F223-I230 HydrophobicContact CE2-CG1 4.08Å; F223-I230 HydrophobicContact CZ-CD1 3.95Å; F223-V316 HydrophobicContact CD1-CG1 4.41Å; F223-V316 HydrophobicContact CD2-CG1 3.92Å; F223-V316 HydrophobicContact CE1-CB 4.45Å; F223-V316 HydrophobicContact CE1-CG1 4.14Å; F223-V316 HydrophobicContact CE1-CG2 3.79Å; F223-V316 HydrophobicContact CE2-CG1 3.62Å; F223-V316 HydrophobicContact CE2-CG2 4.47Å; F223-V316 HydrophobicContact CG-CG1 4.33Å; F223-V316 HydrophobicContact CZ-CB 4.38Å; F223-V316 HydrophobicContact CZ-CG1 3.75Å; F223-V316 HydrophobicContact CZ-CG2 3.76Å; F223-H369 AromaticContact CD2-CE1 3.93Å; F223-H369 AromaticContact CD2-CG 3.96Å; F223-H369 AromaticContact CD2-ND1 3.73Å; F223-H369 HydrophobicContact CE2-CB 4.27Å
224	A	95.1	Very high	95.6	Very high	3 Å²	3	44.8 Å²	44.8	3%	0.025	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-61.4	-32.9	-177.1	0	0	0	0	0	112.4	L219 R221 R222 H226 T227 P330	L219-A224 HydrophobicContact CD2-CB 4.49Å; R221-A224 WeakPolarHBondContact O-CB 3.43Å; R221-A224 PolarHBondContact O-N 3.19Å; R221-A224 VanDerWaalsContact O-N 3.11Å; R222-A224 PolarHBondContact O-N 3.19Å; A224-H226 PolarHBondContact O-N 3.4Å; A224-T227 PolarHBondContact O-N 3.44Å; A224-P330 HydrophobicContact CB-CG 4.42Å; A224-P330 WeakPolarHBondContact O-CB 3.34Å
225	L	90.4	Very high	95.3	Very high	135 Å²	135	45.6 Å²	45.6	71%	0.707	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-62.7	-26.8	-179.7	-62.7	175.2	0	0	0	113.7	R222 F223	R222-L225 PolarHBondContact O-N 2.96Å; F223-L225 PolarHBondContact O-N 3.37Å
226	H	88.9	Confident	95	Very high	130 Å²	130	48.6 Å²	48.6	60%	0.602	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-114.7	28.5	-177.4	-57.8	-60.4	0	0	0	111.9	F223 A224	F223-H226 PolarHBondContact O-N 3.1Å; A224-H226 PolarHBondContact O-N 3.4Å
227	T	96.4	Very high	94.6	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.018	22%	0.223	C	C	.	.			trans	-115.2	129	-175.8	-64.8	0	0	0	0	110.7	F223 A224 Y229 I230 H369	F223-T227 PolarHBondContact O-OG1 3.48Å; A224-T227 PolarHBondContact O-N 3.44Å; T227-Y229 VanDerWaalsContact CG2-C 3.43Å; T227-Y229 WeakPolarHBondContact CG2-O 3.31Å; T227-I230 HydrophobicContact CG2-CD1 4.38Å; T227-I230 HydrophobicContact CG2-CG1 3.58Å; T227-H369 WeakPolarHBondContact CG2-ND1 3.25Å; T227-H369 PolarHBondContact OG1-CE1 3.05Å; T227-H369 PolarHBondContact OG1-ND1 3.27Å
228	L	97.3	Very high	94.2	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-72.3	-42.5	173.1	-174.4	64.2	0	0	0	111	F329 A333 R336 V337 F340 A360 E366 R367	L228-F329 WeakPolarHBondContact O-CD1 3.15Å; L228-A333 HydrophobicContact CD1-CB 4.49Å; L228-A333 VanDerWaalsContact O-CB 3.22Å; L228-A333 WeakPolarHBondContact O-CB 3.3Å; L228-R336 HydrophobicContact CD1-CB 4.17Å; L228-V337 HydrophobicContact CD1-CG2 3.61Å; L228-V337 HydrophobicContact CD2-CG2 4.28Å; L228-V337 HydrophobicContact CG-CG2 3.67Å; L228-F340 HydrophobicContact CD1-CD2 4.3Å; L228-F340 HydrophobicContact CD1-CE2 3.86Å; L228-F340 HydrophobicContact CD2-CD2 4Å; L228-F340 HydrophobicContact CD2-CE2 3.84Å; L228-A360 HydrophobicContact CD2-CB 4.34Å; L228-E366 HydrophobicContact CD2-CB 4.46Å; L228-R367 WeakPolarHBondContact CB-O 3.49Å; L228-R367 PolarHBondContact N-O 3.46Å
229	Y	97.8	Very high	93.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	155.7	173.7	63.5	-97.6	0	0	0	112.4	T227 K231 A319 M327 L328 L356 Y357 A360 A368 H369	T227-Y229 VanDerWaalsContact CG2-C 3.43Å; T227-Y229 WeakPolarHBondContact CG2-O 3.31Å; Y229-K231 HydrophobicContact CD2-CG 4.01Å; Y229-K231 HydrophobicContact CE2-CD 4.32Å; Y229-K231 HydrophobicContact CE2-CG 3.82Å; Y229-A319 HydrophobicContact CE2-CB 3.77Å; Y229-M327 HydrophobicContact CD1-CE 4.39Å; Y229-M327 HydrophobicContact CD2-CE 3.23Å; Y229-M327 HydrophobicContact CE2-CE 3.76Å; Y229-M327 HydrophobicContact CG-CE 3.59Å; Y229-L328 CarbonylContact C-O 3.55Å; Y229-L328 VanDerWaalsContact CA-O 3.32Å; Y229-L328 WeakPolarHBondContact CA-O 3.32Å; Y229-L356 HydrophobicContact CD1-CB 4.49Å; Y229-L356 HydrophobicContact CE1-CB 3.79Å; Y229-Y357 WeakPolarHBondContact OH-CA 3.39Å; Y229-A360 HydrophobicContact CE1-CB 4.06Å; Y229-A368 HydrophobicContact CD1-CB 4.11Å; Y229-A368 HydrophobicContact CD2-CB 4.01Å; Y229-A368 HydrophobicContact CE1-CB 3.56Å; Y229-A368 HydrophobicContact CE2-CB 3.46Å; Y229-A368 VanDerWaalsContact CE2-CB 3.46Å; Y229-A368 HydrophobicContact CG-CB 4.32Å; Y229-A368 WeakPolarHBondContact OH-CB 3.5Å; Y229-H369 PolarHBondContact O-N 2.92Å
230	I	98.1	Very high	93.5	Very high	0 Å²	0	52 Å²	52	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	116.9	174.1	-55	169.2	0	0	0	107.9	F223 T227 L232 L328 P330 H369 V371	F223-I230 HydrophobicContact CE2-CD1 3.61Å; F223-I230 HydrophobicContact CE2-CG1 4.08Å; F223-I230 HydrophobicContact CZ-CD1 3.95Å; T227-I230 HydrophobicContact CG2-CD1 4.38Å; T227-I230 HydrophobicContact CG2-CG1 3.58Å; I230-L232 HydrophobicContact CG2-CD2 4.08Å; I230-L328 HydrophobicContact CB-CB 4.13Å; I230-L328 HydrophobicContact CB-CD2 4.36Å; I230-L328 HydrophobicContact CB-CG 4.45Å; I230-L328 HydrophobicContact CD1-CD2 3.82Å; I230-L328 HydrophobicContact CD1-CG 4.32Å; I230-L328 PolarHBondContact N-O 3.49Å; I230-L328 PolarHBondContact O-N 2.83Å; I230-P330 HydrophobicContact CD1-CG 4.08Å; I230-H369 CarbonylContact C-O 3.49Å; I230-H369 VanDerWaalsContact CA-O 3.28Å; I230-H369 WeakPolarHBondContact CA-O 3.31Å; I230-H369 HydrophobicContact CG1-CB 4.46Å; I230-V371 HydrophobicContact CG2-CG2 3.43Å; I230-V371 VanDerWaalsContact CG2-CG2 3.43Å
231	K	97.4	Very high	93.3	Very high	2 Å²	2	48 Å²	48	1%	0.009	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	125	173.2	-59.1	-163.5	164.6	-176.3	0	109.3	Y229 A319 T320 E321 C322 C323 M327 H369 S370 V371	Y229-K231 HydrophobicContact CD2-CG 4.01Å; Y229-K231 HydrophobicContact CE2-CD 4.32Å; Y229-K231 HydrophobicContact CE2-CG 3.82Å; K231-A319 HydrophobicContact CD-CB 4.23Å; K231-A319 HydrophobicContact CG-CB 4.25Å; K231-T320 PolarHBondContact NZ-O 3.31Å; K231-E321 PolarHBondContact NZ-O 3.11Å; K231-C322 PolarHBondContact NZ-O 3.15Å; K231-C323 WeakPolarHBondContact CE-O 3.2Å; K231-C323 PolarHBondContact NZ-O 2.92Å; K231-M327 HydrophobicContact CB-SD 4.28Å; K231-M327 HydrophobicContact CD-SD 4.44Å; K231-M327 HydrophobicContact CG-CE 4.1Å; K231-M327 HydrophobicContact CG-SD 3.73Å; K231-H369 PolarHBondContact N-O 3.24Å; K231-S370 WeakPolarHBondContact O-CA 3.26Å; K231-V371 PolarHBondContact O-N 3.14Å
232	L	97.7	Very high	93	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	-96.3	-1.1	178.1	-51	-175.6	0	0	0	112.3	I199 F211 V215 I230 A326 L328 V371 L375	I199-L232 HydrophobicContact CD1-CD1 4.33Å; I199-L232 HydrophobicContact CG2-CD1 4.26Å; F211-L232 HydrophobicContact CE2-CD1 3.86Å; F211-L232 HydrophobicContact CZ-CD1 3.92Å; V215-L232 HydrophobicContact CG2-CD1 4.49Å; I230-L232 HydrophobicContact CG2-CD2 4.08Å; L232-A326 HydrophobicContact CB-CB 3.84Å; L232-A326 PolarHBondContact N-O 3.04Å; L232-L328 HydrophobicContact CD1-CB 4.2Å; L232-L328 HydrophobicContact CD2-CB 4.05Å; L232-L328 HydrophobicContact CG-CB 4.26Å; L232-V371 HydrophobicContact CD2-CG2 4.43Å; L232-L375 HydrophobicContact CB-CB 4.32Å; L232-L375 HydrophobicContact CD2-CD1 4.09Å; L232-L375 PolarHBondContact O-N 2.67Å
233	Y	95.9	Very high	92.5	Very high	35 Å²	35	46.5 Å²	46.5	14%	0.137	21%	0.207	C	C	.	.			trans	-144.9	140.3	177.9	-179.2	-98.5	0	0	0	111.3	P235 P325 N374 V376 H378	Y233-P235 HydrophobicContact CE1-CG 4.12Å; Y233-P325 HydrophobicContact CD1-CG 3.22Å; Y233-P325 HydrophobicContact CE1-CG 3.92Å; Y233-P325 HydrophobicContact CG-CG 3.69Å; Y233-N374 WeakPolarHBondContact CA-OD1 3.46Å; Y233-N374 HydrophobicContact CD2-CB 4.14Å; Y233-V376 HydrophobicContact CD2-CG2 3.94Å; Y233-V376 WeakPolarHBondContact CD2-O 3.32Å; Y233-V376 HydrophobicContact CG-CG2 4.11Å; Y233-H378 HydrophobicContact CE1-CB 4.34Å; Y233-H378 HydrophobicContact CE2-CB 3.93Å
234	H	92.3	Very high	91.8	Very high	9 Å²	9	49.5 Å²	49.5	4%	0.042	23%	0.231	C	C	.	.			trans	-142.4	138.7	164.4	-170.4	66.4	0	0	0	109.7	E236 Q239 T320 N374	H234-E236 PolarHBondContact O-N 3.08Å; H234-Q239 PolarHBondContact O-NE2 3.08Å; H234-T320 PolarHBondContact CE1-OG1 3.21Å; H234-T320 PolarHBondContact ND1-OG1 3.06Å; H234-N374 PolarHBondContact N-OD1 3.46Å; H234-N374 PolarHBondContact O-ND2 3.48Å; H234-N374 PolarHBondContact O-OD1 2.98Å
235	P	91.6	Very high	91.4	Very high	16 Å²	16	51.1 Å²	51.1	10%	0.104	24%	0.238	C	C	.	.			trans	-56.9	126.8	-177.4	-25.5	34.1	0	0	0	112.5	Y233 R237 L238 C323	Y233-P235 HydrophobicContact CE1-CG 4.12Å; P235-R237 HydrophobicContact CB-CG 4.38Å; P235-R237 PolarHBondContact O-N 3.15Å; P235-L238 HydrophobicContact CB-CD1 4.27Å; P235-L238 HydrophobicContact CB-CG 4.29Å; P235-L238 HydrophobicContact CG-CD1 4.26Å; P235-L238 PolarHBondContact O-N 3.16Å; P235-C323 WeakPolarHBondContact CG-SG 3.36Å
236	E	90.1	Very high	91.3	Very high	64 Å²	64	49.2 Å²	49.2	30%	0.299	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-56.2	-38.1	-175.7	-66.7	167.8	-175.1	0	0	112.3	Y42 H234 L238 Q239 H301	Y42-E236 HydrophobicContact CD2-CB 3.91Å; Y42-E236 HydrophobicContact CE2-CB 3.83Å; H234-E236 PolarHBondContact O-N 3.08Å; E236-L238 PolarHBondContact O-N 3.4Å; E236-Q239 WeakPolarHBondContact O-CB 3.46Å; E236-Q239 PolarHBondContact O-N 3.05Å; E236-H301 HydrophobicContact CB-CB 4.22Å; E236-H301 HydrophobicContact CG-CB 4.32Å; E236-H301 IonicContact OE2-CD2 2.92Å
237	R	87.4	Confident	91.4	Very high	131 Å²	131	45.8 Å²	45.8	49%	0.494	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-59.1	-21.9	177	74.6	-174	-179.9	96.5	-1.4	114.5	Y42 P235	Y42-R237 HydrophobicContact CD1-CB 3.62Å; Y42-R237 HydrophobicContact CE1-CB 3.57Å; Y42-R237 HydrophobicContact CG-CB 4.2Å; P235-R237 HydrophobicContact CB-CG 4.38Å; P235-R237 PolarHBondContact O-N 3.15Å
238	L	88.4	Confident	91.2	Very high	61 Å²	61	45.7 Å²	45.7	32%	0.319	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-99.9	0.7	179.7	-57	-178.8	0	0	0	112.6	P235 E236 R240 R248	P235-L238 HydrophobicContact CB-CD1 4.27Å; P235-L238 HydrophobicContact CB-CG 4.29Å; P235-L238 HydrophobicContact CG-CD1 4.26Å; P235-L238 PolarHBondContact O-N 3.16Å; E236-L238 PolarHBondContact O-N 3.4Å; L238-R240 PolarHBondContact O-N 2.73Å; L238-R248 PolarHBondContact O-NH1 3.05Å
239	Q	88.9	Confident	91	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.019	24%	0.235	C	C	.	.			trans	-93.5	25.1	-177.6	-69.8	-178.5	-19.8	0	0	113.5	H234 E236 R300 N374	H234-Q239 PolarHBondContact O-NE2 3.08Å; E236-Q239 WeakPolarHBondContact O-CB 3.46Å; E236-Q239 PolarHBondContact O-N 3.05Å; Q239-R300 VanDerWaalsContact O-CB 3.24Å; Q239-R300 WeakPolarHBondContact O-CB 3.47Å; Q239-R300 WeakPolarHBondContact O-CD 3.41Å; Q239-R300 WeakPolarHBondContact O-CG 3.13Å; Q239-R300 PolarHBondContact O-NH1 3.02Å; Q239-N374 PolarHBondContact NE2-OD1 2.93Å
240	R	90.6	Very high	90.8	Very high	81 Å²	81	55.7 Å²	55.7	31%	0.306	27%	0.267	S	S	.	.			trans	-69.3	159.6	180	-66.2	-173	176.8	-176	-3.9	113	Y42 Y44 L238 R248	Y42-R240 PolarHBondContact O-NH2 3.17Å; Y44-R240 PolarHBondContact OH-NH1 3.08Å; L238-R240 PolarHBondContact O-N 2.73Å; R240-R248 WeakPolarHBondContact O-CD 3.4Å
241	Y	92.3	Very high	90.6	Very high	4 Å²	4	57.6 Å²	57.6	2%	0.016	28%	0.276	C	S	.	.	S	Bend	trans	-70.9	-38	173	-68.6	-72.7	0	0	0	111.1	N243 R248 E251 W252 A295 E296 R300 L303	Y241-N243 PolarHBondContact O-N 3.38Å; Y241-R248 WeakPolarHBondContact CD1-O 3.29Å; Y241-E251 HydrophobicContact CE1-CB 4.34Å; Y241-E251 HydrophobicContact CE1-CG 3.94Å; Y241-W252 HydrophobicContact CD1-CB 3.48Å; Y241-W252 VanDerWaalsContact CD1-CB 3.48Å; Y241-W252 AromaticContact CD1-CD1 4Å; Y241-W252 AromaticContact CD1-CG 3.82Å; Y241-W252 HydrophobicContact CD1-CG 3.82Å; Y241-W252 AromaticContact CD2-CD1 3.66Å; Y241-W252 HydrophobicContact CD2-CG 4.14Å; Y241-W252 AromaticContact CD2-NE1 3.93Å; Y241-W252 HydrophobicContact CE1-CB 4.08Å; Y241-W252 HydrophobicContact CE1-CG 4.5Å; Y241-W252 HydrophobicContact CG-CB 3.8Å; Y241-W252 AromaticContact CG-CD1 3.62Å; Y241-W252 HydrophobicContact CG-CD2 4.18Å; Y241-W252 AromaticContact CG-CG 3.62Å; Y241-W252 HydrophobicContact CG-CG 3.62Å; Y241-A295 HydrophobicContact CD2-CB 4.48Å; Y241-A295 HydrophobicContact CE2-CB 3.88Å; Y241-E296 WeakPolarHBondContact CA-OE2 3.42Å; Y241-E296 WeakPolarHBondContact CB-OE2 3.45Å; Y241-E296 PolarHBondContact N-OE2 3.02Å; Y241-R300 HydrophobicContact CD1-CG 4.31Å; Y241-R300 HydrophobicContact CD2-CB 3.81Å; Y241-R300 HydrophobicContact CD2-CG 4.33Å; Y241-R300 HydrophobicContact CE1-CB 4.44Å; Y241-R300 VanDerWaalsContact CE1-CD 3.47Å; Y241-R300 HydrophobicContact CE1-CG 3.91Å; Y241-R300 HydrophobicContact CE2-CB 3.59Å; Y241-R300 HydrophobicContact CE2-CG 3.92Å; Y241-R300 HydrophobicContact CG-CB 4.31Å; Y241-L303 HydrophobicContact CE2-CD1 4.23Å
242	W	87.7	Confident	90.6	Very high	197 Å²	197	59 Å²	59	75%	0.746	28%	0.281	S	S	*	.	S	Bend	trans	-74.8	77.4	172.9	-167.5	-91	0	0	0	110.8	W252 E296	W242-W252 HydrophobicContact CE3-CH2 4.28Å; W242-W252 AromaticContact CE3-CZ3 3.92Å; W242-W252 HydrophobicContact CE3-CZ3 3.92Å; W242-W252 HydrophobicContact CZ3-CZ3 4.4Å; W242-E296 PolarHBondContact N-OE2 3.43Å
243	N	84.3	Confident	90.5	Very high	56 Å²	56	61.5 Å²	61.5	30%	0.299	30%	0.296	S	S	.	.	S	Bend	trans	-144.9	159.3	176.7	-148.8	31.1	0	0	0	108.9	Y241 E245 R248	Y241-N243 PolarHBondContact O-N 3.38Å; N243-E245 WeakPolarHBondContact CB-OE2 3.2Å; N243-E245 VanDerWaalsContact ND2-CD 3.29Å; N243-E245 PolarHBondContact ND2-OE1 3.2Å; N243-E245 VanDerWaalsContact ND2-OE1 3.13Å; N243-E245 PolarHBondContact ND2-OE2 2.9Å; N243-E245 PolarHBondContact O-N 3.29Å; N243-E245 VanDerWaalsContact O-N 3.11Å; N243-R248 PolarHBondContact ND2-NH1 3.3Å
244	P	79.7	Confident	90.6	Very high	108 Å²	108	61.2 Å²	61.2	70%	0.701	30%	0.304	S	S	*	.	S	Bend	trans	-72.3	-6.4	-169.5	30.3	-32.4	0	0	0	113.4	P246	P244-P246 VanDerWaalsContact O-CD 3.31Å; P244-P246 WeakPolarHBondContact O-CD 3.42Å
245	E	86.3	Confident	90.8	Very high	37 Å²	37	64.1 Å²	64.1	17%	0.173	32%	0.32	C	S	.	.			trans	-74.3	119.2	179	-56.6	83	-176	0	0	112.3	N243 Y247 R248 T320	N243-E245 WeakPolarHBondContact CB-OE2 3.2Å; N243-E245 VanDerWaalsContact ND2-CD 3.29Å; N243-E245 PolarHBondContact ND2-OE1 3.2Å; N243-E245 VanDerWaalsContact ND2-OE1 3.13Å; N243-E245 PolarHBondContact ND2-OE2 2.9Å; N243-E245 PolarHBondContact O-N 3.29Å; N243-E245 VanDerWaalsContact O-N 3.11Å; E245-Y247 VanDerWaalsContact C-N 3.28Å; E245-Y247 HydrophobicContact CB-CD1 3.71Å; E245-Y247 HydrophobicContact CB-CE1 3.35Å; E245-Y247 HydrophobicContact CG-CE1 3.81Å; E245-Y247 PolarHBondContact O-N 2.66Å; E245-Y247 VanDerWaalsContact O-N 3.15Å; E245-R248 HydrophobicContact CB-CG 4.33Å; E245-R248 PolarHBondContact O-N 3.31Å; E245-R248 VanDerWaalsContact O-N 3.11Å; E245-R248 IonicContact OE2-CZ 3.61Å; E245-R248 IonicContact OE2-NE 2.78Å; E245-R248 IonicContact OE2-NH1 3.72Å; E245-R248 PolarHBondContact OE2-NH1 2.89Å; E245-T320 WeakPolarHBondContact OE1-CG2 3.47Å
246	P	88.6	Confident	91.1	Very high	95 Å²	95	63.4 Å²	63.4	62%	0.617	32%	0.315	S	S	*	.	H	α-helix	trans	-59.9	-33.3	-173.5	-26.7	35	0	0	0	114.6	P244 R248 I249 L250	P244-P246 VanDerWaalsContact O-CD 3.31Å; P244-P246 WeakPolarHBondContact O-CD 3.42Å; P246-R248 PolarHBondContact O-N 3.35Å; P246-I249 PolarHBondContact O-N 3.27Å; P246-L250 WeakPolarHBondContact O-CG 3.42Å; P246-L250 PolarHBondContact O-N 2.64Å
247	Y	90.1	Very high	91.5	Very high	58 Å²	58	64 Å²	64	23%	0.227	32%	0.32	C	S	.	.	H	α-helix	trans	-64.2	-30.3	-178.6	71.8	-93.9	0	0	0	112.5	E245 L250 E251 S317	E245-Y247 VanDerWaalsContact C-N 3.28Å; E245-Y247 HydrophobicContact CB-CD1 3.71Å; E245-Y247 HydrophobicContact CB-CE1 3.35Å; E245-Y247 HydrophobicContact CG-CE1 3.81Å; E245-Y247 PolarHBondContact O-N 2.66Å; E245-Y247 VanDerWaalsContact O-N 3.15Å; Y247-L250 PolarHBondContact O-N 2.95Å; Y247-E251 WeakPolarHBondContact O-CB 3.46Å; Y247-E251 PolarHBondContact O-N 3.2Å; Y247-S317 PolarHBondContact OH-OG 3.4Å
248	R	92.6	Very high	91.9	Very high	1 Å²	1	62.7 Å²	62.7	0%	0.004	33%	0.326	C	S	.	.	H	α-helix	trans	-70.8	-38.8	177.4	-63.8	-176	175.5	178.6	-2.7	110.9	L238 R240 Y241 N243 E245 P246 E251 W252 E372	L238-R248 PolarHBondContact O-NH1 3.05Å; R240-R248 WeakPolarHBondContact O-CD 3.4Å; Y241-R248 WeakPolarHBondContact CD1-O 3.29Å; N243-R248 PolarHBondContact ND2-NH1 3.3Å; E245-R248 HydrophobicContact CB-CG 4.33Å; E245-R248 PolarHBondContact O-N 3.31Å; E245-R248 VanDerWaalsContact O-N 3.11Å; E245-R248 IonicContact OE2-CZ 3.61Å; E245-R248 IonicContact OE2-NE 2.78Å; E245-R248 IonicContact OE2-NH1 3.72Å; E245-R248 PolarHBondContact OE2-NH1 2.89Å; P246-R248 PolarHBondContact O-N 3.35Å; R248-E251 PolarHBondContact O-N 3.37Å; R248-W252 VanDerWaalsContact O-CB 3.32Å; R248-W252 WeakPolarHBondContact O-CB 3.41Å; R248-W252 PolarHBondContact O-N 3.17Å; R248-E372 IonicContact CZ-OE1 3.75Å; R248-E372 IonicContact NE-OE1 3.78Å; R248-E372 IonicContact NH2-OE1 3.44Å; R248-E372 PolarHBondContact NH2-OE1 3.43Å; R248-E372 VanDerWaalsContact NH2-OE1 3.11Å
249	I	93.3	Very high	92.4	Very high	81 Å²	81	60.7 Å²	60.7	42%	0.415	32%	0.32	S	S	.	.	H	α-helix	trans	-64.6	-43	174.6	-57.4	173.7	0	0	0	110.3	P246 W252 V253	P246-I249 PolarHBondContact O-N 3.27Å; I249-W252 WeakPolarHBondContact O-CB 3.24Å; I249-W252 PolarHBondContact O-N 3.43Å; I249-V253 HydrophobicContact CG2-CG2 4.5Å; I249-V253 WeakPolarHBondContact O-CG2 3.4Å; I249-V253 PolarHBondContact O-N 2.92Å
250	L	94.1	Very high	92.8	Very high	129 Å²	129	60.5 Å²	60.5	68%	0.675	32%	0.319	S	S	*	.	H	α-helix	trans	-63.8	-42.9	176.5	-67.7	176.4	0	0	0	112.2	P246 Y247 W252 G254	P246-L250 WeakPolarHBondContact O-CG 3.42Å; P246-L250 PolarHBondContact O-N 2.64Å; Y247-L250 PolarHBondContact O-N 2.95Å; L250-W252 VanDerWaalsContact C-N 3.3Å; L250-W252 PolarHBondContact O-N 2.78Å; L250-G254 PolarHBondContact O-N 3.28Å
251	E	94.6	Very high	93.1	Very high	41 Å²	41	59.1 Å²	59.1	19%	0.192	32%	0.32	C	S	.	.	H	α-helix	trans	-59.6	-42.7	173.1	-178	-174.6	-165.2	0	0	111.3	Y241 Y247 R248 G254 L255 R300 R307	Y241-E251 HydrophobicContact CE1-CB 4.34Å; Y241-E251 HydrophobicContact CE1-CG 3.94Å; Y247-E251 WeakPolarHBondContact O-CB 3.46Å; Y247-E251 PolarHBondContact O-N 3.2Å; R248-E251 PolarHBondContact O-N 3.37Å; E251-G254 PolarHBondContact O-N 3.4Å; E251-L255 WeakPolarHBondContact O-CB 3.47Å; E251-L255 PolarHBondContact O-N 3.23Å; E251-R300 IonicContact OE1-NE 3.85Å; E251-R300 IonicContact OE1-NH2 2.84Å; E251-R300 IonicContact OE2-CZ 3.6Å; E251-R300 VanDerWaalsContact OE2-CZ 3.23Å; E251-R300 IonicContact OE2-NE 2.64Å; E251-R300 PolarHBondContact OE2-NE 3.33Å; E251-R300 IonicContact OE2-NH2 3.57Å; E251-R300 PolarHBondContact OE2-NH2 3.05Å; E251-R307 IonicContact OE1-CZ 2.69Å; E251-R307 IonicContact OE1-NH1 3.91Å; E251-R307 IonicContact OE1-NH2 3.71Å; E251-R307 PolarHBondContact OE1-NH2 3.43Å
252	W	96.1	Very high	93.3	Very high	30 Å²	30	61.7 Å²	61.7	11%	0.114	34%	0.342	C	S	.	.	H	α-helix	trans	-63.3	-49	-179.8	-165.9	26.2	0	0	0	112.4	Y241 W242 R248 I249 L250 G254 L255 G256 M292 E296	Y241-W252 HydrophobicContact CD1-CB 3.48Å; Y241-W252 VanDerWaalsContact CD1-CB 3.48Å; Y241-W252 AromaticContact CD1-CD1 4Å; Y241-W252 AromaticContact CD1-CG 3.82Å; Y241-W252 HydrophobicContact CD1-CG 3.82Å; Y241-W252 AromaticContact CD2-CD1 3.66Å; Y241-W252 HydrophobicContact CD2-CG 4.14Å; Y241-W252 AromaticContact CD2-NE1 3.93Å; Y241-W252 HydrophobicContact CE1-CB 4.08Å; Y241-W252 HydrophobicContact CE1-CG 4.5Å; Y241-W252 HydrophobicContact CG-CB 3.8Å; Y241-W252 AromaticContact CG-CD1 3.62Å; Y241-W252 HydrophobicContact CG-CD2 4.18Å; Y241-W252 AromaticContact CG-CG 3.62Å; Y241-W252 HydrophobicContact CG-CG 3.62Å; W242-W252 HydrophobicContact CE3-CH2 4.28Å; W242-W252 AromaticContact CE3-CZ3 3.92Å; W242-W252 HydrophobicContact CE3-CZ3 3.92Å; W242-W252 HydrophobicContact CZ3-CZ3 4.4Å; R248-W252 VanDerWaalsContact O-CB 3.32Å; R248-W252 WeakPolarHBondContact O-CB 3.41Å; R248-W252 PolarHBondContact O-N 3.17Å; I249-W252 WeakPolarHBondContact O-CB 3.24Å; I249-W252 PolarHBondContact O-N 3.43Å; L250-W252 VanDerWaalsContact C-N 3.3Å; L250-W252 PolarHBondContact O-N 2.78Å; W252-G254 VanDerWaalsContact C-N 3.35Å; W252-L255 PolarHBondContact O-N 3.46Å; W252-G256 PolarHBondContact O-N 3.32Å; W252-M292 HydrophobicContact CD2-CB 4.26Å; W252-M292 HydrophobicContact CD2-CE 3.6Å; W252-M292 HydrophobicContact CD2-CG 4.32Å; W252-M292 HydrophobicContact CE3-CE 3.6Å; W252-M292 HydrophobicContact CG-CB 4.45Å; W252-M292 HydrophobicContact CG-CE 4.08Å; W252-M292 HydrophobicContact CG-CG 4.19Å; W252-M292 HydrophobicContact CH2-CE 4.31Å; W252-M292 HydrophobicContact CZ2-CB 3.92Å; W252-M292 HydrophobicContact CZ2-CE 4.32Å; W252-M292 HydrophobicContact CZ3-CE 3.96Å; W252-M292 PolarHBondContact NE1-O 2.84Å; W252-M292 WeakPolarHBondContact O-CG 3.32Å; W252-E296 HydrophobicContact CZ2-CB 3.74Å; W252-E296 HydrophobicContact CZ2-CG 4.3Å
253	V	96.6	Very high	93.6	Very high	53 Å²	53	54.7 Å²	54.7	32%	0.321	32%	0.319	S	S	.	.	H	α-helix	trans	-63.3	-43.3	175.9	173.4	0	0	0	0	110.3	I249 G256 L257 M292	I249-V253 HydrophobicContact CG2-CG2 4.5Å; I249-V253 WeakPolarHBondContact O-CG2 3.4Å; I249-V253 PolarHBondContact O-N 2.92Å; V253-G256 PolarHBondContact O-N 3.47Å; V253-L257 HydrophobicContact CG1-CD1 3.86Å; V253-L257 HydrophobicContact CG1-CG 4.33Å; V253-L257 WeakPolarHBondContact O-CB 3.49Å; V253-L257 WeakPolarHBondContact O-CG 3.07Å; V253-L257 PolarHBondContact O-N 3.02Å; V253-M292 HydrophobicContact CG2-CE 3.77Å; V253-M292 HydrophobicContact CG2-SD 4.15Å
254	G	96.9	Very high	94.1	Very high	30 Å²	30	52.1 Å²	52.1	31%	0.309	31%	0.306	S	S	.	.	H	α-helix	trans	-60	-46.5	177.1	0	0	0	0	0	112.6	L250 E251 W252 G256 L257 V258	L250-G254 PolarHBondContact O-N 3.28Å; E251-G254 PolarHBondContact O-N 3.4Å; W252-G254 VanDerWaalsContact C-N 3.35Å; G254-G256 VanDerWaalsContact C-N 3.33Å; G254-G256 PolarHBondContact O-N 3.27Å; G254-L257 PolarHBondContact O-N 2.99Å; G254-V258 WeakPolarHBondContact O-CB 3.47Å; G254-V258 WeakPolarHBondContact O-CG2 3.41Å; G254-V258 PolarHBondContact O-N 2.99Å
255	L	96.4	Very high	94.8	Very high	70 Å²	70	51.4 Å²	51.4	37%	0.366	30%	0.295	S	S	.	.	H	α-helix	trans	-59.5	-45.3	174.6	179	67	0	0	0	111.2	E251 W252 V258 G259 A295 L303	E251-L255 WeakPolarHBondContact O-CB 3.47Å; E251-L255 PolarHBondContact O-N 3.23Å; W252-L255 PolarHBondContact O-N 3.46Å; L255-V258 PolarHBondContact O-N 3.15Å; L255-G259 PolarHBondContact O-N 3.25Å; L255-A295 HydrophobicContact CD2-CB 3.65Å; L255-L303 HydrophobicContact CD2-CD1 3.81Å
256	G	97.9	Very high	95	Very high	0 Å²	0	52 Å²	52	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-58.2	-48.2	176.3	0	0	0	0	0	112.5	W252 V253 G254 G259 A260	W252-G256 PolarHBondContact O-N 3.32Å; V253-G256 PolarHBondContact O-N 3.47Å; G254-G256 VanDerWaalsContact C-N 3.33Å; G254-G256 PolarHBondContact O-N 3.27Å; G256-G259 PolarHBondContact O-N 2.77Å; G256-A260 WeakPolarHBondContact O-CB 3.45Å; G256-A260 PolarHBondContact O-N 2.78Å
257	L	98.1	Very high	95.1	Very high	76 Å²	76	47.9 Å²	47.9	40%	0.398	28%	0.276	S	S	.	.	H	α-helix	trans	-64.8	-44.9	-179.5	-75.1	169.2	0	0	0	112.3	V253 G254 T261 T288	V253-L257 HydrophobicContact CG1-CD1 3.86Å; V253-L257 HydrophobicContact CG1-CG 4.33Å; V253-L257 WeakPolarHBondContact O-CB 3.49Å; V253-L257 WeakPolarHBondContact O-CG 3.07Å; V253-L257 PolarHBondContact O-N 3.02Å; G254-L257 PolarHBondContact O-N 2.99Å; L257-T261 VanDerWaalsContact O-CB 3.3Å; L257-T261 WeakPolarHBondContact O-CB 3.03Å; L257-T261 PolarHBondContact O-N 3.01Å; L257-T261 PolarHBondContact O-OG1 2.75Å; L257-T288 HydrophobicContact CD2-CG2 3.99Å; L257-T288 HydrophobicContact CG-CG2 3.96Å
258	V	97.6	Very high	94.9	Very high	104 Å²	104	49.9 Å²	49.9	63%	0.63	30%	0.296	S	S	*	.	H	α-helix	trans	-63.4	-47.6	177.6	171	0	0	0	0	110.2	G254 L255 A260 T261 A262	G254-V258 WeakPolarHBondContact O-CB 3.47Å; G254-V258 WeakPolarHBondContact O-CG2 3.41Å; G254-V258 PolarHBondContact O-N 2.99Å; L255-V258 PolarHBondContact O-N 3.15Å; V258-A260 PolarHBondContact O-N 2.95Å; V258-T261 PolarHBondContact O-N 3.49Å; V258-A262 VanDerWaalsContact O-CB 3.28Å; V258-A262 WeakPolarHBondContact O-CB 3.4Å; V258-A262 PolarHBondContact O-N 3.43Å
259	G	97.3	Very high	94.6	Very high	19 Å²	19	59.4 Å²	59.4	20%	0.196	33%	0.334	C	S	.	.	H	α-helix	trans	-60.8	-45.5	177.7	0	0	0	0	0	112.6	L255 G256 L263 F291	L255-G259 PolarHBondContact O-N 3.25Å; G256-G259 PolarHBondContact O-N 2.77Å; G259-L263 WeakPolarHBondContact O-CB 3.22Å; G259-L263 PolarHBondContact O-N 2.97Å; G259-F291 VanDerWaalsContact C-CD2 3.5Å; G259-F291 VanDerWaalsContact O-CE2 3.31Å; G259-F291 WeakPolarHBondContact O-CE2 3.14Å
260	A	97.5	Very high	94.1	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-62	-46.2	177.9	0	0	0	0	0	112.1	G256 V258 L263 L264 L284 F287 F291	G256-A260 WeakPolarHBondContact O-CB 3.45Å; G256-A260 PolarHBondContact O-N 2.78Å; V258-A260 PolarHBondContact O-N 2.95Å; A260-L263 PolarHBondContact O-N 3.28Å; A260-L264 WeakPolarHBondContact O-CB 3.49Å; A260-L264 VanDerWaalsContact O-CG 3.25Å; A260-L264 WeakPolarHBondContact O-CG 3.28Å; A260-L264 PolarHBondContact O-N 3.35Å; A260-L284 HydrophobicContact CB-CD1 3.92Å; A260-F287 HydrophobicContact CB-CB 3.54Å; A260-F291 HydrophobicContact CB-CD2 4.36Å
261	T	96.9	Very high	93.5	Very high	52 Å²	52	56.8 Å²	56.8	32%	0.319	33%	0.328	S	S	.	.	H	α-helix	trans	-65.4	-47.6	-180	-54.9	0	0	0	0	110.8	L257 V258 L263 L264 L265	L257-T261 VanDerWaalsContact O-CB 3.3Å; L257-T261 WeakPolarHBondContact O-CB 3.03Å; L257-T261 PolarHBondContact O-N 3.01Å; L257-T261 PolarHBondContact O-OG1 2.75Å; V258-T261 PolarHBondContact O-N 3.49Å; T261-L263 VanDerWaalsContact C-N 3.34Å; T261-L263 PolarHBondContact O-N 3.36Å; T261-L264 PolarHBondContact O-N 3.33Å; T261-L265 HydrophobicContact CG2-CD1 3.8Å; T261-L265 HydrophobicContact CG2-CG 4.25Å; T261-L265 WeakPolarHBondContact O-CB 3.43Å; T261-L265 VanDerWaalsContact O-CG 3.26Å; T261-L265 WeakPolarHBondContact O-CG 3.43Å; T261-L265 PolarHBondContact O-N 2.98Å
262	A	96.3	Very high	92.5	Very high	59 Å²	59	59.9 Å²	59.9	49%	0.488	35%	0.351	S	S	.	.	H	α-helix	trans	-59.3	-45.3	178.2	0	0	0	0	0	111.6	V258 S266	V258-A262 VanDerWaalsContact O-CB 3.28Å; V258-A262 WeakPolarHBondContact O-CB 3.4Å; V258-A262 PolarHBondContact O-N 3.43Å; A262-S266 WeakPolarHBondContact O-CB 3.47Å; A262-S266 PolarHBondContact O-N 3.32Å; A262-S266 PolarHBondContact O-OG 3.13Å
263	L	95.1	Very high	91.6	Very high	50 Å²	50	66.1 Å²	66.1	26%	0.262	38%	0.379	S	S	.	.	H	α-helix	trans	-60.8	-53.3	176.6	-179.8	64.5	0	0	0	111.1	G259 A260 T261 L265 S266 I267 F287 F291	G259-L263 WeakPolarHBondContact O-CB 3.22Å; G259-L263 PolarHBondContact O-N 2.97Å; A260-L263 PolarHBondContact O-N 3.28Å; T261-L263 VanDerWaalsContact C-N 3.34Å; T261-L263 PolarHBondContact O-N 3.36Å; L263-L265 VanDerWaalsContact C-N 3.29Å; L263-L265 PolarHBondContact O-N 3.48Å; L263-S266 PolarHBondContact O-N 2.83Å; L263-S266 PolarHBondContact O-OG 3.47Å; L263-I267 HydrophobicContact CD1-CG1 4.49Å; L263-I267 HydrophobicContact CG-CD1 4.22Å; L263-I267 WeakPolarHBondContact O-CG1 3.38Å; L263-I267 PolarHBondContact O-N 2.82Å; L263-I267 VanDerWaalsContact O-N 3.08Å; L263-F287 HydrophobicContact CD2-CD1 3.54Å; L263-F287 HydrophobicContact CD2-CE1 3.45Å; L263-F287 VanDerWaalsContact CD2-CE1 3.45Å; L263-F287 HydrophobicContact CD2-CE2 4.45Å; L263-F287 HydrophobicContact CD2-CG 4.11Å; L263-F287 HydrophobicContact CD2-CZ 3.94Å; L263-F291 HydrophobicContact CB-CE2 4.12Å; L263-F291 HydrophobicContact CB-CZ 4.26Å; L263-F291 HydrophobicContact CD2-CE2 3.91Å; L263-F291 HydrophobicContact CD2-CZ 3.98Å
264	L	94.6	Very high	90.8	Very high	2 Å²	2	68.1 Å²	68.1	1%	0.01	40%	0.396	C	S	.	.	H	α-helix	trans	-64.3	-32.2	-177.1	-70.2	174.8	0	0	0	113.3	A260 T261 I267 P268 F277 L279 H283 L284 F287	A260-L264 WeakPolarHBondContact O-CB 3.49Å; A260-L264 VanDerWaalsContact O-CG 3.25Å; A260-L264 WeakPolarHBondContact O-CG 3.28Å; A260-L264 PolarHBondContact O-N 3.35Å; T261-L264 PolarHBondContact O-N 3.33Å; L264-I267 HydrophobicContact CD2-CD1 4.26Å; L264-P268 WeakPolarHBondContact O-CD 3.3Å; L264-F277 HydrophobicContact CD2-CB 3.94Å; L264-L279 HydrophobicContact CB-CD1 3.8Å; L264-L279 HydrophobicContact CD1-CD1 4.14Å; L264-H283 HydrophobicContact CD1-CB 4.11Å; L264-H283 HydrophobicContact CD2-CB 4.12Å; L264-L284 HydrophobicContact CD1-CB 4.22Å; L264-L284 HydrophobicContact CD1-CD1 4.24Å; L264-F287 HydrophobicContact CD1-CD2 4.3Å; L264-F287 HydrophobicContact CD2-CD2 3.71Å; L264-F287 HydrophobicContact CD2-CE2 3.76Å; L264-F287 HydrophobicContact CG-CD2 4.06Å
265	L	94.2	Very high	90.2	Very high	93 Å²	93	69.3 Å²	69.3	49%	0.487	40%	0.395	S	S	.	.	H	α-helix	trans	-73.6	-28.8	173.1	-71.1	177.5	0	0	0	112.6	T261 L263 P268 Y269 L279	T261-L265 HydrophobicContact CG2-CD1 3.8Å; T261-L265 HydrophobicContact CG2-CG 4.25Å; T261-L265 WeakPolarHBondContact O-CB 3.43Å; T261-L265 VanDerWaalsContact O-CG 3.26Å; T261-L265 WeakPolarHBondContact O-CG 3.43Å; T261-L265 PolarHBondContact O-N 2.98Å; L263-L265 VanDerWaalsContact C-N 3.29Å; L263-L265 PolarHBondContact O-N 3.48Å; L265-P268 WeakPolarHBondContact O-CD 3.47Å; L265-Y269 WeakPolarHBondContact O-CD2 3.29Å; L265-Y269 WeakPolarHBondContact O-CE2 3.43Å; L265-L279 HydrophobicContact CD2-CD2 4.05Å
266	S	91.3	Very high	89.7	Confident	49 Å²	49	68.1 Å²	68.1	34%	0.343	39%	0.392	S	S	.	.	H	α-helix	trans	-78	-31.3	178.6	72.9	0	0	0	0	113.5	A262 L263 Y269 C270	A262-S266 WeakPolarHBondContact O-CB 3.47Å; A262-S266 PolarHBondContact O-N 3.32Å; A262-S266 PolarHBondContact O-OG 3.13Å; L263-S266 PolarHBondContact O-N 2.83Å; L263-S266 PolarHBondContact O-OG 3.47Å; S266-Y269 PolarHBondContact O-N 3.47Å; S266-C270 PolarHBondContact O-N 3.43Å
267	I	89.6	Confident	89.2	Confident	8 Å²	8	68.5 Å²	68.5	4%	0.041	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-46.1	-175.6	-73.3	170.3	0	0	0	112.7	L263 L264 Y269 C270 N271 L275 F277	L263-I267 HydrophobicContact CD1-CG1 4.49Å; L263-I267 HydrophobicContact CG-CD1 4.22Å; L263-I267 WeakPolarHBondContact O-CG1 3.38Å; L263-I267 PolarHBondContact O-N 2.82Å; L263-I267 VanDerWaalsContact O-N 3.08Å; L264-I267 HydrophobicContact CD2-CD1 4.26Å; I267-Y269 PolarHBondContact O-N 3.37Å; I267-Y269 VanDerWaalsContact O-N 3.14Å; I267-C270 CarbonylContact O-C 3.45Å; I267-C270 PolarHBondContact O-N 3.06Å; I267-N271 WeakPolarHBondContact O-CB 3.31Å; I267-N271 PolarHBondContact O-N 3.1Å; I267-L275 HydrophobicContact CD1-CD1 4.47Å; I267-F277 HydrophobicContact CD1-CB 3.84Å; I267-F277 HydrophobicContact CD1-CD2 4.2Å
268	P	86.4	Confident	88.8	Confident	100 Å²	100	68.6 Å²	68.6	65%	0.649	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-28.6	177.4	-27.1	35	0	0	0	114.7	L264 L265	L264-P268 WeakPolarHBondContact O-CD 3.3Å; L265-P268 WeakPolarHBondContact O-CD 3.47Å
269	Y	86	Confident	88.4	Confident	202 Å²	202	68.8 Å²	68.8	79%	0.792	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-32.3	-177.7	-56.8	-77.4	0	0	0	112.5	L265 S266 I267	L265-Y269 WeakPolarHBondContact O-CD2 3.29Å; L265-Y269 WeakPolarHBondContact O-CE2 3.43Å; S266-Y269 PolarHBondContact O-N 3.47Å; I267-Y269 PolarHBondContact O-N 3.37Å; I267-Y269 VanDerWaalsContact O-N 3.14Å
270	C	83.1	Confident	88.3	Confident	95 Å²	95	69.8 Å²	69.8	64%	0.642	40%	0.399	S	S	*	.			trans	-134.6	83.3	-175.2	-69.5	0	0	0	0	110.2	S266 I267 P272	S266-C270 PolarHBondContact O-N 3.43Å; I267-C270 CarbonylContact O-C 3.45Å; I267-C270 PolarHBondContact O-N 3.06Å; C270-P272 VanDerWaalsContact O-CD 3.25Å; C270-P272 WeakPolarHBondContact O-CD 3.26Å
271	N	81.8	Confident	88.1	Confident	60 Å²	60	73.3 Å²	73.3	32%	0.321	43%	0.427	S	S	.	.			trans	-117.3	65.6	179.1	-160.4	1.3	0	0	0	114	I267 F273 S274 L275	I267-N271 WeakPolarHBondContact O-CB 3.31Å; I267-N271 PolarHBondContact O-N 3.1Å; N271-F273 PolarHBondContact O-N 2.77Å; N271-F273 VanDerWaalsContact O-N 3.14Å; N271-S274 PolarHBondContact O-N 2.98Å; N271-S274 WeakPolarHBondContact OD1-CA 3.17Å; N271-S274 PolarHBondContact OD1-N 2.94Å; N271-S274 VanDerWaalsContact OD1-N 3.15Å; N271-L275 PolarHBondContact ND2-N 2.93Å; N271-L275 VanDerWaalsContact ND2-N 3.19Å; N271-L275 PolarHBondContact ND2-O 3.07Å; N271-L275 WeakPolarHBondContact OD1-CB 3.38Å; N271-L275 PolarHBondContact OD1-N 3.28Å
272	P	73.8	Confident	88	Confident	106 Å²	106	77.1 Å²	77.1	69%	0.688	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-20.9	-177.6	26.2	-33.7	0	0	0	113.5	C270	C270-P272 VanDerWaalsContact O-CD 3.25Å; C270-P272 WeakPolarHBondContact O-CD 3.26Å
273	F	76.3	Confident	87.9	Confident	160 Å²	160	75.9 Å²	75.9	70%	0.702	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	11	-176	-60.2	-70.5	0	0	0	114	N271 L275	N271-F273 PolarHBondContact O-N 2.77Å; N271-F273 VanDerWaalsContact O-N 3.14Å; F273-L275 HydrophobicContact CB-CD2 4.25Å; F273-L275 HydrophobicContact CB-CG 4.18Å; F273-L275 PolarHBondContact O-N 2.75Å
274	S	80.8	Confident	88	Confident	95 Å²	95	75.8 Å²	75.8	66%	0.664	43%	0.429	S	S	*	.			trans	50.9	40.8	-178.9	-54.6	0	0	0	0	113.7	N271	N271-S274 PolarHBondContact O-N 2.98Å; N271-S274 WeakPolarHBondContact OD1-CA 3.17Å; N271-S274 PolarHBondContact OD1-N 2.94Å; N271-S274 VanDerWaalsContact OD1-N 3.15Å
275	L	82.8	Confident	88.1	Confident	55 Å²	55	79.8 Å²	79.8	29%	0.288	45%	0.454	S	S	.	.			trans	-62.5	135.2	175.9	-59.7	176.3	0	0	0	110.3	I267 N271 F273 F277	I267-L275 HydrophobicContact CD1-CD1 4.47Å; N271-L275 PolarHBondContact ND2-N 2.93Å; N271-L275 VanDerWaalsContact ND2-N 3.19Å; N271-L275 PolarHBondContact ND2-O 3.07Å; N271-L275 WeakPolarHBondContact OD1-CB 3.38Å; N271-L275 PolarHBondContact OD1-N 3.28Å; F273-L275 HydrophobicContact CB-CD2 4.25Å; F273-L275 HydrophobicContact CB-CG 4.18Å; F273-L275 PolarHBondContact O-N 2.75Å; L275-F277 VanDerWaalsContact C-N 3.28Å; L275-F277 HydrophobicContact CB-CD2 3.87Å; L275-F277 HydrophobicContact CB-CE2 4.32Å; L275-F277 HydrophobicContact CD1-CD2 4.23Å; L275-F277 HydrophobicContact CD1-CE2 4.43Å; L275-F277 HydrophobicContact CD2-CD2 4.48Å; L275-F277 HydrophobicContact CD2-CE2 4.12Å; L275-F277 HydrophobicContact CG-CD2 4.42Å; L275-F277 PolarHBondContact O-N 3.5Å
276	S	85.6	Confident	88.3	Confident	45 Å²	45	78.3 Å²	78.3	32%	0.315	44%	0.444	S	S	.	.			trans	-90.6	15.5	-179.1	66.3	0	0	0	0	113.2	A17 Q20	A17-S276 VanDerWaalsContact CA-OG 3.32Å; A17-S276 WeakPolarHBondContact CA-OG 3.44Å; A17-S276 WeakPolarHBondContact CB-OG 3.35Å; A17-S276 PolarHBondContact N-OG 2.9Å; Q20-S276 PolarHBondContact OE1-OG 3.37Å; Q20-S276 VanDerWaalsContact OE1-OG 3.06Å
277	F	88.8	Confident	88.6	Confident	9 Å²	9	76 Å²	76	4%	0.039	43%	0.428	C	S	.	.			trans	-78.1	142	-178.9	-56.1	-58.1	0	0	0	111.3	A17 Q20 A21 L264 I267 L275 H283 F287	A17-F277 HydrophobicContact CB-CD1 4.42Å; A17-F277 HydrophobicContact CB-CE1 4.32Å; A17-F277 WeakPolarHBondContact O-CE1 3.46Å; Q20-F277 HydrophobicContact CB-CE2 4.4Å; Q20-F277 HydrophobicContact CB-CZ 3.86Å; A21-F277 HydrophobicContact CB-CE1 4.04Å; A21-F277 HydrophobicContact CB-CZ 4.08Å; L264-F277 HydrophobicContact CD2-CB 3.94Å; I267-F277 HydrophobicContact CD1-CB 3.84Å; I267-F277 HydrophobicContact CD1-CD2 4.2Å; L275-F277 VanDerWaalsContact C-N 3.28Å; L275-F277 HydrophobicContact CB-CD2 3.87Å; L275-F277 HydrophobicContact CB-CE2 4.32Å; L275-F277 HydrophobicContact CD1-CD2 4.23Å; L275-F277 HydrophobicContact CD1-CE2 4.43Å; L275-F277 HydrophobicContact CD2-CD2 4.48Å; L275-F277 HydrophobicContact CD2-CE2 4.12Å; L275-F277 HydrophobicContact CG-CD2 4.42Å; L275-F277 PolarHBondContact O-N 3.5Å; F277-H283 AromaticContact CD1-CD2 3.9Å; F277-H283 AromaticContact CD1-NE2 3.9Å; F277-F287 HydrophobicContact CB-CE2 4.04Å; F277-F287 AromaticContact CD1-CE2 3.92Å; F277-F287 HydrophobicContact CD1-CE2 3.92Å; F277-F287 HydrophobicContact CD1-CZ 4.22Å; F277-F287 AromaticContact CD2-CE2 3.88Å; F277-F287 HydrophobicContact CD2-CE2 3.88Å; F277-F287 AromaticContact CD2-CZ 3.59Å; F277-F287 HydrophobicContact CD2-CZ 3.59Å; F277-F287 HydrophobicContact CE1-CE2 4.34Å; F277-F287 HydrophobicContact CE1-CZ 4.29Å; F277-F287 HydrophobicContact CE2-CE2 4.31Å; F277-F287 AromaticContact CE2-CZ 3.68Å; F277-F287 HydrophobicContact CE2-CZ 3.68Å; F277-F287 AromaticContact CG-CE2 3.67Å; F277-F287 HydrophobicContact CG-CE2 3.67Å; F277-F287 AromaticContact CG-CZ 3.88Å; F277-F287 HydrophobicContact CG-CZ 3.88Å; F277-F287 HydrophobicContact CZ-CZ 4.03Å
278	T	88.9	Confident	89	Confident	78 Å²	78	76.2 Å²	76.2	48%	0.479	43%	0.429	S	S	.	.			trans	-134.8	163.5	-176.9	61.4	0	0	0	0	110	S280 H283	T278-S280 PolarHBondContact O-N 3.48Å; T278-H283 PolarHBondContact N-CE1 2.71Å; T278-H283 PolarHBondContact N-ND1 3.32Å; T278-H283 VanDerWaalsContact O-CB 3.23Å; T278-H283 WeakPolarHBondContact O-CB 3.36Å; T278-H283 PolarHBondContact O-ND1 3.49Å; T278-H283 PolarHBondContact OG1-CE1 2.92Å; T278-H283 PolarHBondContact OG1-ND1 3.45Å; T278-H283 VanDerWaalsContact OG1-ND1 3.15Å
279	L	90.5	Very high	89.5	Confident	108 Å²	108	76.1 Å²	76.1	57%	0.565	42%	0.423	S	S	*	.	S	Bend	trans	-74	60.9	174.3	-164.2	72.9	0	0	0	111.8	L264 L265	L264-L279 HydrophobicContact CB-CD1 3.8Å; L264-L279 HydrophobicContact CD1-CD1 4.14Å; L265-L279 HydrophobicContact CD2-CD2 4.05Å
280	S	93.3	Very high	90.1	Very high	40 Å²	40	67.9 Å²	67.9	28%	0.28	39%	0.391	S	S	.	.			trans	-100	156.4	172.3	76.7	0	0	0	0	110.4	T278 N282 H283 L284	T278-S280 PolarHBondContact O-N 3.48Å; S280-N282 VanDerWaalsContact C-N 3.25Å; S280-N282 PolarHBondContact O-N 3.3Å; S280-H283 PolarHBondContact O-N 2.85Å; S280-H283 PolarHBondContact OG-N 3.02Å; S280-H283 PolarHBondContact OG-ND1 3.41Å; S280-H283 VanDerWaalsContact OG-ND1 3.16Å; S280-L284 WeakPolarHBondContact O-CB 3.45Å; S280-L284 PolarHBondContact O-N 3.05Å
281	A	94.7	Very high	90.8	Very high	73 Å²	73	66.2 Å²	66.2	60%	0.603	37%	0.372	S	S	*	.	H	α-helix	trans	-55.8	-40.9	177.5	0	0	0	0	0	112.3	L284 V285	A281-L284 PolarHBondContact O-N 3.02Å; A281-V285 VanDerWaalsContact O-CG2 3.31Å; A281-V285 WeakPolarHBondContact O-CG2 3.14Å; A281-V285 PolarHBondContact O-N 3.39Å
282	N	94.3	Very high	91.6	Very high	132 Å²	132	64.4 Å²	64.4	71%	0.706	36%	0.362	S	S	*	.	H	α-helix	trans	-65.1	-44.5	-179.8	-67.3	-12.3	0	0	0	112.1	S280 F286	S280-N282 VanDerWaalsContact C-N 3.25Å; S280-N282 PolarHBondContact O-N 3.3Å; N282-F286 WeakPolarHBondContact O-CB 3.33Å; N282-F286 PolarHBondContact O-N 3.11Å
283	H	94.4	Very high	92.7	Very high	33 Å²	33	62.6 Å²	62.6	15%	0.153	35%	0.349	C	S	.	.	H	α-helix	trans	-67.4	-39.2	176.7	-65.6	150.2	0	0	0	111.6	L264 F277 T278 S280 F286 F287	L264-H283 HydrophobicContact CD1-CB 4.11Å; L264-H283 HydrophobicContact CD2-CB 4.12Å; F277-H283 AromaticContact CD1-CD2 3.9Å; F277-H283 AromaticContact CD1-NE2 3.9Å; T278-H283 PolarHBondContact N-CE1 2.71Å; T278-H283 PolarHBondContact N-ND1 3.32Å; T278-H283 VanDerWaalsContact O-CB 3.23Å; T278-H283 WeakPolarHBondContact O-CB 3.36Å; T278-H283 PolarHBondContact O-ND1 3.49Å; T278-H283 PolarHBondContact OG1-CE1 2.92Å; T278-H283 PolarHBondContact OG1-ND1 3.45Å; T278-H283 VanDerWaalsContact OG1-ND1 3.15Å; S280-H283 PolarHBondContact O-N 2.85Å; S280-H283 PolarHBondContact OG-N 3.02Å; S280-H283 PolarHBondContact OG-ND1 3.41Å; S280-H283 VanDerWaalsContact OG-ND1 3.16Å; H283-F286 PolarHBondContact O-N 3.24Å; H283-F287 WeakPolarHBondContact O-CB 3.34Å; H283-F287 VanDerWaalsContact O-CD2 3.28Å; H283-F287 WeakPolarHBondContact O-CD2 3.4Å; H283-F287 PolarHBondContact O-N 3.22Å
284	L	96.8	Very high	93.7	Very high	48 Å²	48	55.5 Å²	55.5	25%	0.251	32%	0.32	S	S	.	.	H	α-helix	trans	-61	-47.9	176.9	-175.6	67.7	0	0	0	111.1	A260 L264 S280 A281 F287 T288	A260-L284 HydrophobicContact CB-CD1 3.92Å; L264-L284 HydrophobicContact CD1-CB 4.22Å; L264-L284 HydrophobicContact CD1-CD1 4.24Å; S280-L284 WeakPolarHBondContact O-CB 3.45Å; S280-L284 PolarHBondContact O-N 3.05Å; A281-L284 PolarHBondContact O-N 3.02Å; L284-F287 PolarHBondContact O-N 2.95Å; L284-T288 VanDerWaalsContact O-CB 3.27Å; L284-T288 WeakPolarHBondContact O-CB 3.24Å; L284-T288 PolarHBondContact O-N 3.14Å; L284-T288 PolarHBondContact O-OG1 3.3Å
285	V	97.3	Very high	94.4	Very high	87 Å²	87	51.2 Å²	51.2	53%	0.527	29%	0.291	S	S	.	.	H	α-helix	trans	-61.6	-47	176.8	170.9	0	0	0	0	110.8	A281 F287 T288 L289	A281-V285 VanDerWaalsContact O-CG2 3.31Å; A281-V285 WeakPolarHBondContact O-CG2 3.14Å; A281-V285 PolarHBondContact O-N 3.39Å; V285-F287 PolarHBondContact O-N 3.08Å; V285-T288 PolarHBondContact O-N 2.88Å; V285-L289 HydrophobicContact CG1-CD1 4.22Å; V285-L289 WeakPolarHBondContact O-CG 3.49Å; V285-L289 PolarHBondContact O-N 2.65Å
286	F	97.1	Very high	95	Very high	61 Å²	61	49.3 Å²	49.3	27%	0.268	28%	0.28	S	S	.	.	H	α-helix	trans	-56.8	-52.2	177.5	170.5	-98.3	0	0	0	111.8	A21 N282 H283 T288 L289 Y290	A21-F286 HydrophobicContact CB-CD1 4.47Å; A21-F286 HydrophobicContact CB-CE1 3.83Å; A21-F286 HydrophobicContact CB-CE2 4.05Å; A21-F286 HydrophobicContact CB-CZ 3.6Å; N282-F286 WeakPolarHBondContact O-CB 3.33Å; N282-F286 PolarHBondContact O-N 3.11Å; H283-F286 PolarHBondContact O-N 3.24Å; F286-T288 VanDerWaalsContact C-N 3.31Å; F286-T288 PolarHBondContact O-N 3.21Å; F286-L289 PolarHBondContact O-N 3.49Å; F286-Y290 HydrophobicContact CZ-CD2 4.46Å; F286-Y290 WeakPolarHBondContact O-CB 3.17Å; F286-Y290 PolarHBondContact O-N 3.26Å
287	F	97.9	Very high	95.5	Very high	1 Å²	1	48.7 Å²	48.7	0%	0.004	27%	0.273	C	S	.	.	H	α-helix	trans	-68.7	-31.7	-178.5	-80.7	-64.6	0	0	0	112.6	L24 A260 L263 L264 F277 H283 L284 V285 Y290 F291	L24-F287 HydrophobicContact CD2-CE1 3.72Å; L24-F287 HydrophobicContact CD2-CZ 4.19Å; A260-F287 HydrophobicContact CB-CB 3.54Å; L263-F287 HydrophobicContact CD2-CD1 3.54Å; L263-F287 HydrophobicContact CD2-CE1 3.45Å; L263-F287 VanDerWaalsContact CD2-CE1 3.45Å; L263-F287 HydrophobicContact CD2-CE2 4.45Å; L263-F287 HydrophobicContact CD2-CG 4.11Å; L263-F287 HydrophobicContact CD2-CZ 3.94Å; L264-F287 HydrophobicContact CD1-CD2 4.3Å; L264-F287 HydrophobicContact CD2-CD2 3.71Å; L264-F287 HydrophobicContact CD2-CE2 3.76Å; L264-F287 HydrophobicContact CG-CD2 4.06Å; F277-F287 HydrophobicContact CB-CE2 4.04Å; F277-F287 AromaticContact CD1-CE2 3.92Å; F277-F287 HydrophobicContact CD1-CE2 3.92Å; F277-F287 HydrophobicContact CD1-CZ 4.22Å; F277-F287 AromaticContact CD2-CE2 3.88Å; F277-F287 HydrophobicContact CD2-CE2 3.88Å; F277-F287 AromaticContact CD2-CZ 3.59Å; F277-F287 HydrophobicContact CD2-CZ 3.59Å; F277-F287 HydrophobicContact CE1-CE2 4.34Å; F277-F287 HydrophobicContact CE1-CZ 4.29Å; F277-F287 HydrophobicContact CE2-CE2 4.31Å; F277-F287 AromaticContact CE2-CZ 3.68Å; F277-F287 HydrophobicContact CE2-CZ 3.68Å; F277-F287 AromaticContact CG-CE2 3.67Å; F277-F287 HydrophobicContact CG-CE2 3.67Å; F277-F287 AromaticContact CG-CZ 3.88Å; F277-F287 HydrophobicContact CG-CZ 3.88Å; F277-F287 HydrophobicContact CZ-CZ 4.03Å; H283-F287 WeakPolarHBondContact O-CB 3.34Å; H283-F287 VanDerWaalsContact O-CD2 3.28Å; H283-F287 WeakPolarHBondContact O-CD2 3.4Å; H283-F287 PolarHBondContact O-N 3.22Å; L284-F287 PolarHBondContact O-N 2.95Å; V285-F287 PolarHBondContact O-N 3.08Å; F287-Y290 HydrophobicContact CD1-CD1 4.25Å; F287-Y290 HydrophobicContact CD1-CG 4.42Å; F287-Y290 PolarHBondContact O-N 2.71Å; F287-F291 HydrophobicContact CB-CD2 4.44Å; F287-F291 HydrophobicContact CB-CE2 4.48Å; F287-F291 HydrophobicContact CD1-CE2 4.45Å; F287-F291 WeakPolarHBondContact O-CD2 3.24Å; F287-F291 PolarHBondContact O-N 2.61Å
288	T	98.3	Very high	95.8	Very high	13 Å²	13	50.2 Å²	50.2	8%	0.08	28%	0.281	C	S	.	.	H	α-helix	trans	-59.8	-50.9	173.9	-61.7	0	0	0	0	109.9	L257 L284 V285 F286 Y290 F291 M292	L257-T288 HydrophobicContact CD2-CG2 3.99Å; L257-T288 HydrophobicContact CG-CG2 3.96Å; L284-T288 VanDerWaalsContact O-CB 3.27Å; L284-T288 WeakPolarHBondContact O-CB 3.24Å; L284-T288 PolarHBondContact O-N 3.14Å; L284-T288 PolarHBondContact O-OG1 3.3Å; V285-T288 PolarHBondContact O-N 2.88Å; F286-T288 VanDerWaalsContact C-N 3.31Å; F286-T288 PolarHBondContact O-N 3.21Å; T288-Y290 PolarHBondContact O-N 3.27Å; T288-F291 PolarHBondContact O-N 2.73Å; T288-M292 HydrophobicContact CG2-SD 4.01Å; T288-M292 WeakPolarHBondContact O-CB 3.38Å; T288-M292 WeakPolarHBondContact O-CG 3.24Å; T288-M292 PolarHBondContact O-N 3.37Å
289	L	98	Very high	96	Very high	98 Å²	98	46.6 Å²	46.6	51%	0.513	26%	0.26	S	S	.	.	H	α-helix	trans	-64	-39.8	176.5	-66.5	175	0	0	0	112.1	V285 F286 M292 V293	V285-L289 HydrophobicContact CG1-CD1 4.22Å; V285-L289 WeakPolarHBondContact O-CG 3.49Å; V285-L289 PolarHBondContact O-N 2.65Å; F286-L289 PolarHBondContact O-N 3.49Å; L289-M292 HydrophobicContact CD2-SD 4.32Å; L289-M292 WeakPolarHBondContact O-CB 3.47Å; L289-M292 PolarHBondContact O-N 2.93Å; L289-V293 VanDerWaalsContact O-CG2 3.31Å; L289-V293 WeakPolarHBondContact O-CG2 3.18Å; L289-V293 PolarHBondContact O-N 3.11Å
290	Y	98.1	Very high	96.2	Very high	29 Å²	29	41.5 Å²	41.5	11%	0.114	23%	0.233	C	C	.	.	H	α-helix	trans	-58.5	-50.1	176.5	171.5	-85.6	0	0	0	111.7	L24 T28 F29 F286 F287 T288 V293 A294	L24-Y290 HydrophobicContact CD2-CE2 4.31Å; L24-Y290 HydrophobicContact CG-CE2 4.11Å; T28-Y290 WeakPolarHBondContact CB-OH 3.3Å; T28-Y290 HydrophobicContact CG2-CE2 4.1Å; T28-Y290 WeakPolarHBondContact CG2-OH 3.37Å; T28-Y290 PolarHBondContact OG1-OH 2.69Å; F29-Y290 AromaticContact CE2-CD2 3.46Å; F29-Y290 HydrophobicContact CE2-CD2 3.46Å; F29-Y290 VanDerWaalsContact CE2-CD2 3.46Å; F29-Y290 AromaticContact CE2-CE2 3.58Å; F29-Y290 HydrophobicContact CE2-CE2 3.58Å; F29-Y290 HydrophobicContact CE2-CG 4.4Å; F29-Y290 AromaticContact CZ-CD2 3.61Å; F29-Y290 HydrophobicContact CZ-CD2 3.61Å; F29-Y290 AromaticContact CZ-CE2 3.77Å; F29-Y290 HydrophobicContact CZ-CE2 3.77Å; F29-Y290 HydrophobicContact CZ-CG 4.16Å; F286-Y290 HydrophobicContact CZ-CD2 4.46Å; F286-Y290 WeakPolarHBondContact O-CB 3.17Å; F286-Y290 PolarHBondContact O-N 3.26Å; F287-Y290 HydrophobicContact CD1-CD1 4.25Å; F287-Y290 HydrophobicContact CD1-CG 4.42Å; F287-Y290 PolarHBondContact O-N 2.71Å; T288-Y290 PolarHBondContact O-N 3.27Å; Y290-V293 PolarHBondContact O-N 3.45Å; Y290-A294 WeakPolarHBondContact O-CB 3.45Å; Y290-A294 PolarHBondContact O-N 3.37Å
291	F	98.1	Very high	96.1	Very high	59 Å²	59	40.3 Å²	40.3	26%	0.259	22%	0.223	S	C	.	.	H	α-helix	trans	-68.4	-36.4	178.8	-80.3	-65.7	0	0	0	112.2	G259 A260 L263 F287 T288 A294 A295	G259-F291 VanDerWaalsContact C-CD2 3.5Å; G259-F291 VanDerWaalsContact O-CE2 3.31Å; G259-F291 WeakPolarHBondContact O-CE2 3.14Å; A260-F291 HydrophobicContact CB-CD2 4.36Å; L263-F291 HydrophobicContact CB-CE2 4.12Å; L263-F291 HydrophobicContact CB-CZ 4.26Å; L263-F291 HydrophobicContact CD2-CE2 3.91Å; L263-F291 HydrophobicContact CD2-CZ 3.98Å; F287-F291 HydrophobicContact CB-CD2 4.44Å; F287-F291 HydrophobicContact CB-CE2 4.48Å; F287-F291 HydrophobicContact CD1-CE2 4.45Å; F287-F291 WeakPolarHBondContact O-CD2 3.24Å; F287-F291 PolarHBondContact O-N 2.61Å; T288-F291 PolarHBondContact O-N 2.73Å; F291-A294 PolarHBondContact O-N 2.68Å; F291-A295 VanDerWaalsContact O-CB 3.3Å; F291-A295 WeakPolarHBondContact O-CB 3.48Å; F291-A295 PolarHBondContact O-N 3.48Å
292	M	97.5	Very high	96.1	Very high	22 Å²	22	40.2 Å²	40.2	11%	0.108	21%	0.207	C	C	.	.	H	α-helix	trans	-57	-55.4	171.6	-76.6	173.5	71.7	0	0	110.6	W252 V253 T288 L289 A294 A295 E296	W252-M292 HydrophobicContact CD2-CB 4.26Å; W252-M292 HydrophobicContact CD2-CE 3.6Å; W252-M292 HydrophobicContact CD2-CG 4.32Å; W252-M292 HydrophobicContact CE3-CE 3.6Å; W252-M292 HydrophobicContact CG-CB 4.45Å; W252-M292 HydrophobicContact CG-CE 4.08Å; W252-M292 HydrophobicContact CG-CG 4.19Å; W252-M292 HydrophobicContact CH2-CE 4.31Å; W252-M292 HydrophobicContact CZ2-CB 3.92Å; W252-M292 HydrophobicContact CZ2-CE 4.32Å; W252-M292 HydrophobicContact CZ3-CE 3.96Å; W252-M292 PolarHBondContact NE1-O 2.84Å; W252-M292 WeakPolarHBondContact O-CG 3.32Å; V253-M292 HydrophobicContact CG2-CE 3.77Å; V253-M292 HydrophobicContact CG2-SD 4.15Å; T288-M292 HydrophobicContact CG2-SD 4.01Å; T288-M292 WeakPolarHBondContact O-CB 3.38Å; T288-M292 WeakPolarHBondContact O-CG 3.24Å; T288-M292 PolarHBondContact O-N 3.37Å; L289-M292 HydrophobicContact CD2-SD 4.32Å; L289-M292 WeakPolarHBondContact O-CB 3.47Å; L289-M292 PolarHBondContact O-N 2.93Å; M292-A294 VanDerWaalsContact C-N 3.32Å; M292-A294 PolarHBondContact O-N 2.92Å; M292-A295 PolarHBondContact O-N 3.38Å; M292-E296 PolarHBondContact O-N 3.41Å
293	V	97.1	Very high	96.1	Very high	68 Å²	68	36.8 Å²	36.8	41%	0.412	19%	0.189	S	C	.	.	H	α-helix	trans	-59.4	-43.4	179.7	173.7	0	0	0	0	111.1	F29 L289 Y290 A295 E296 L297	F29-V293 HydrophobicContact CD1-CG1 4.23Å; F29-V293 HydrophobicContact CE1-CB 4.22Å; F29-V293 HydrophobicContact CE1-CG1 3.72Å; F29-V293 HydrophobicContact CZ-CB 4.23Å; F29-V293 HydrophobicContact CZ-CG1 4.05Å; L289-V293 VanDerWaalsContact O-CG2 3.31Å; L289-V293 WeakPolarHBondContact O-CG2 3.18Å; L289-V293 PolarHBondContact O-N 3.11Å; Y290-V293 PolarHBondContact O-N 3.45Å; V293-A295 PolarHBondContact O-N 2.99Å; V293-E296 PolarHBondContact O-N 3.43Å; V293-L297 HydrophobicContact CG1-CD1 3.68Å; V293-L297 HydrophobicContact CG1-CG 4.23Å; V293-L297 WeakPolarHBondContact O-CB 3.46Å; V293-L297 WeakPolarHBondContact O-CG 3.29Å; V293-L297 PolarHBondContact O-N 3.22Å
294	A	97.3	Very high	96	Very high	11 Å²	11	35.2 Å²	35.2	9%	0.091	18%	0.182	C	C	.	.	H	α-helix	trans	-59.8	-46.1	177.3	0	0	0	0	0	112.5	F29 L33 Y290 F291 M292 E296 L297 I298	F29-A294 HydrophobicContact CE1-CB 3.95Å; F29-A294 HydrophobicContact CZ-CB 4.4Å; L33-A294 HydrophobicContact CD1-CB 4.26Å; Y290-A294 WeakPolarHBondContact O-CB 3.45Å; Y290-A294 PolarHBondContact O-N 3.37Å; F291-A294 PolarHBondContact O-N 2.68Å; M292-A294 VanDerWaalsContact C-N 3.32Å; M292-A294 PolarHBondContact O-N 2.92Å; A294-E296 PolarHBondContact O-N 2.92Å; A294-L297 PolarHBondContact O-N 2.85Å; A294-I298 VanDerWaalsContact O-CG1 3.26Å; A294-I298 WeakPolarHBondContact O-CG1 3.48Å; A294-I298 PolarHBondContact O-N 3.17Å
295	A	96.3	Very high	95.9	Very high	6 Å²	6	37.1 Å²	37.1	5%	0.05	19%	0.189	C	C	.	.	H	α-helix	trans	-63.2	-41.3	-180	0	0	0	0	0	112.5	Y241 L255 F291 M292 V293 G299 L303	Y241-A295 HydrophobicContact CD2-CB 4.48Å; Y241-A295 HydrophobicContact CE2-CB 3.88Å; L255-A295 HydrophobicContact CD2-CB 3.65Å; F291-A295 VanDerWaalsContact O-CB 3.3Å; F291-A295 WeakPolarHBondContact O-CB 3.48Å; F291-A295 PolarHBondContact O-N 3.48Å; M292-A295 PolarHBondContact O-N 3.38Å; V293-A295 PolarHBondContact O-N 2.99Å; A295-G299 PolarHBondContact O-N 2.84Å; A295-L303 HydrophobicContact CB-CD1 3.78Å
296	E	95.7	Very high	95.8	Very high	14 Å²	14	37.4 Å²	37.4	7%	0.065	19%	0.191	C	C	.	.	H	α-helix	trans	-67.3	-39.8	177	179.9	60	-165	0	0	111.8	Y44 Y241 W242 W252 M292 V293 A294 G299	Y44-E296 WeakPolarHBondContact CD2-O 3.42Å; Y44-E296 HydrophobicContact CE2-CG 4.19Å; Y44-E296 PolarHBondContact OH-OE1 3.06Å; Y241-E296 WeakPolarHBondContact CA-OE2 3.42Å; Y241-E296 WeakPolarHBondContact CB-OE2 3.45Å; Y241-E296 PolarHBondContact N-OE2 3.02Å; W242-E296 PolarHBondContact N-OE2 3.43Å; W252-E296 HydrophobicContact CZ2-CB 3.74Å; W252-E296 HydrophobicContact CZ2-CG 4.3Å; M292-E296 PolarHBondContact O-N 3.41Å; V293-E296 PolarHBondContact O-N 3.43Å; A294-E296 PolarHBondContact O-N 2.92Å; E296-G299 PolarHBondContact O-N 3.01Å
297	L	95.5	Very high	95.7	Very high	33 Å²	33	37.1 Å²	37.1	17%	0.173	19%	0.188	C	C	.	.	H	α-helix	trans	-69.4	-36.6	179.6	-69.3	173.3	0	0	0	113.1	F29 L33 S43 Y44 F45 V293 A294	F29-L297 HydrophobicContact CD1-CD1 3.6Å; F29-L297 HydrophobicContact CE1-CD1 4.04Å; L33-L297 HydrophobicContact CD1-CD1 4.46Å; S43-L297 PolarHBondContact OG-O 3.39Å; Y44-L297 HydrophobicContact CD1-CD2 4.3Å; Y44-L297 HydrophobicContact CD2-CD2 4.22Å; Y44-L297 HydrophobicContact CG-CD2 3.81Å; Y44-L297 PolarHBondContact N-O 3.32Å; Y44-L297 VanDerWaalsContact N-O 3.1Å; F45-L297 HydrophobicContact CD2-CB 4.5Å; F45-L297 HydrophobicContact CE2-CB 3.83Å; F45-L297 HydrophobicContact CE2-CD1 4.02Å; F45-L297 HydrophobicContact CE2-CD2 4.49Å; F45-L297 HydrophobicContact CE2-CG 4.34Å; F45-L297 HydrophobicContact CZ-CD1 3.99Å; V293-L297 HydrophobicContact CG1-CD1 3.68Å; V293-L297 HydrophobicContact CG1-CG 4.23Å; V293-L297 WeakPolarHBondContact O-CB 3.46Å; V293-L297 WeakPolarHBondContact O-CG 3.29Å; V293-L297 PolarHBondContact O-N 3.22Å; A294-L297 PolarHBondContact O-N 2.85Å
298	I	95.2	Very high	95.5	Very high	40 Å²	40	40.5 Å²	40.5	21%	0.205	20%	0.201	C	C	.	.	H	α-helix	trans	-66.4	-46.8	174.1	-68.1	165.6	0	0	0	109.9	L33 S43 A294 Y302	L33-I298 HydrophobicContact CD2-CD1 3.92Å; L33-I298 HydrophobicContact CD2-CG1 3.84Å; S43-I298 WeakPolarHBondContact CB-O 3.21Å; A294-I298 VanDerWaalsContact O-CG1 3.26Å; A294-I298 WeakPolarHBondContact O-CG1 3.48Å; A294-I298 PolarHBondContact O-N 3.17Å; I298-Y302 HydrophobicContact CG2-CD2 4.43Å; I298-Y302 WeakPolarHBondContact O-CD2 3.15Å
299	G	93.3	Very high	95.4	Very high	3 Å²	3	46.5 Å²	46.5	3%	0.031	23%	0.231	C	C	.	.			trans	114.2	125.1	-176.4	0	0	0	0	0	111.4	A295 E296 H301 Y302	A295-G299 PolarHBondContact O-N 2.84Å; E296-G299 PolarHBondContact O-N 3.01Å; G299-H301 VanDerWaalsContact C-N 3.34Å; G299-H301 PolarHBondContact O-N 3.22Å; G299-Y302 PolarHBondContact O-N 3.44Å
300	R	94	Very high	95.3	Very high	1 Å²	1	43.4 Å²	43.4	0%	0.004	22%	0.218	C	C	.	.	H	α-helix	trans	-58.3	-39.7	-176.8	172.9	169.1	178.4	-90	0.8	113.3	Q239 Y241 E251 Y302 L303 L304 E372	Q239-R300 VanDerWaalsContact O-CB 3.24Å; Q239-R300 WeakPolarHBondContact O-CB 3.47Å; Q239-R300 WeakPolarHBondContact O-CD 3.41Å; Q239-R300 WeakPolarHBondContact O-CG 3.13Å; Q239-R300 PolarHBondContact O-NH1 3.02Å; Y241-R300 HydrophobicContact CD1-CG 4.31Å; Y241-R300 HydrophobicContact CD2-CB 3.81Å; Y241-R300 HydrophobicContact CD2-CG 4.33Å; Y241-R300 HydrophobicContact CE1-CB 4.44Å; Y241-R300 VanDerWaalsContact CE1-CD 3.47Å; Y241-R300 HydrophobicContact CE1-CG 3.91Å; Y241-R300 HydrophobicContact CE2-CB 3.59Å; Y241-R300 HydrophobicContact CE2-CG 3.92Å; Y241-R300 HydrophobicContact CG-CB 4.31Å; E251-R300 IonicContact OE1-NE 3.85Å; E251-R300 IonicContact OE1-NH2 2.84Å; E251-R300 IonicContact OE2-CZ 3.6Å; E251-R300 VanDerWaalsContact OE2-CZ 3.23Å; E251-R300 IonicContact OE2-NE 2.64Å; E251-R300 PolarHBondContact OE2-NE 3.33Å; E251-R300 IonicContact OE2-NH2 3.57Å; E251-R300 PolarHBondContact OE2-NH2 3.05Å; R300-Y302 VanDerWaalsContact C-N 3.27Å; R300-Y302 PolarHBondContact O-N 2.93Å; R300-L303 WeakPolarHBondContact O-CA 3.25Å; R300-L303 WeakPolarHBondContact O-CB 3.45Å; R300-L303 PolarHBondContact O-N 2.86Å; R300-L304 HydrophobicContact CG-CD1 4.34Å; R300-L304 HydrophobicContact CG-CG 4.17Å; R300-L304 WeakPolarHBondContact O-CG 3.42Å; R300-L304 PolarHBondContact O-N 3.13Å; R300-E372 IonicContact CZ-OE1 2.71Å; R300-E372 IonicContact CZ-OE2 3.6Å; R300-E372 IonicContact NH1-OE1 3.09Å; R300-E372 PolarHBondContact NH1-OE1 3.48Å; R300-E372 IonicContact NH1-OE2 3.75Å; R300-E372 PolarHBondContact NH1-OE2 3.41Å; R300-E372 IonicContact NH2-OE1 3.33Å; R300-E372 IonicContact NH2-OE2 2.9Å; R300-E372 PolarHBondContact NH2-OE2 3.46Å
301	H	92.3	Very high	95.1	Very high	14 Å²	14	43.7 Å²	43.7	7%	0.065	22%	0.223	C	C	.	.	H	α-helix	trans	-60.5	-34.4	-176.4	62.9	-65.3	0	0	0	112.8	Y42 E236 G299 L303 L304 E305	Y42-H301 AromaticContact CD2-NE2 3.88Å; E236-H301 HydrophobicContact CB-CB 4.22Å; E236-H301 HydrophobicContact CG-CB 4.32Å; E236-H301 IonicContact OE2-CD2 2.92Å; G299-H301 VanDerWaalsContact C-N 3.34Å; G299-H301 PolarHBondContact O-N 3.22Å; H301-L303 VanDerWaalsContact C-N 3.31Å; H301-L303 PolarHBondContact O-N 3.44Å; H301-L304 WeakPolarHBondContact O-CB 3.36Å; H301-L304 PolarHBondContact O-N 2.68Å; H301-E305 PolarHBondContact O-N 2.82Å
302	Y	93.3	Very high	95	Very high	71 Å²	71	48.1 Å²	48.1	28%	0.278	24%	0.244	S	C	.	.	H	α-helix	trans	-64.5	-35.2	172.9	-65	-64.2	0	0	0	113.1	L40 L41 I298 G299 R300	L40-Y302 VanDerWaalsContact C-OH 3.29Å; L40-Y302 WeakPolarHBondContact CA-OH 3.37Å; L40-Y302 HydrophobicContact CB-CE2 3.76Å; L40-Y302 HydrophobicContact CD1-CD2 4.47Å; L40-Y302 HydrophobicContact CD1-CE2 4.32Å; L40-Y302 HydrophobicContact CD2-CE1 4.12Å; L40-Y302 HydrophobicContact CG-CE2 4.45Å; L41-Y302 PolarHBondContact N-OH 3.48Å; L41-Y302 WeakPolarHBondContact O-CE2 3.39Å; L41-Y302 PolarHBondContact O-OH 2.89Å; I298-Y302 HydrophobicContact CG2-CD2 4.43Å; I298-Y302 WeakPolarHBondContact O-CD2 3.15Å; G299-Y302 PolarHBondContact O-N 3.44Å; R300-Y302 VanDerWaalsContact C-N 3.27Å; R300-Y302 PolarHBondContact O-N 2.93Å
303	L	93.9	Very high	94.9	Very high	60 Å²	60	51.4 Å²	51.4	31%	0.314	26%	0.262	S	S	.	.	H	α-helix	trans	-74.8	-30.9	177.2	-58.4	178.2	0	0	0	111.6	Y241 L255 A295 R300 H301 E305 V306	Y241-L303 HydrophobicContact CE2-CD1 4.23Å; L255-L303 HydrophobicContact CD2-CD1 3.81Å; A295-L303 HydrophobicContact CB-CD1 3.78Å; R300-L303 WeakPolarHBondContact O-CA 3.25Å; R300-L303 WeakPolarHBondContact O-CB 3.45Å; R300-L303 PolarHBondContact O-N 2.86Å; H301-L303 VanDerWaalsContact C-N 3.31Å; H301-L303 PolarHBondContact O-N 3.44Å; L303-E305 PolarHBondContact O-N 3.04Å; L303-V306 WeakPolarHBondContact O-CB 3.31Å; L303-V306 WeakPolarHBondContact O-CG2 3.34Å; L303-V306 PolarHBondContact O-N 2.99Å
304	L	94	Very high	94.8	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-62.7	-29.4	176.6	-67.4	178.6	0	0	0	112.6	R300 H301 V306 R307 E372 P373	R300-L304 HydrophobicContact CG-CD1 4.34Å; R300-L304 HydrophobicContact CG-CG 4.17Å; R300-L304 WeakPolarHBondContact O-CG 3.42Å; R300-L304 PolarHBondContact O-N 3.13Å; H301-L304 WeakPolarHBondContact O-CB 3.36Å; H301-L304 PolarHBondContact O-N 2.68Å; L304-V306 PolarHBondContact O-N 2.93Å; L304-V306 VanDerWaalsContact O-N 3.15Å; L304-R307 VanDerWaalsContact O-CB 3.24Å; L304-R307 WeakPolarHBondContact O-CB 3.38Å; L304-R307 PolarHBondContact O-N 2.9Å; L304-E372 HydrophobicContact CD1-CB 4.11Å; L304-E372 HydrophobicContact CD1-CG 4.49Å; L304-P373 HydrophobicContact CB-CB 4.08Å
305	E	94.2	Very high	94.7	Very high	87 Å²	87	49.1 Å²	49.1	41%	0.407	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-59.3	-25.8	178.4	-68.5	-63	123.8	0	0	112.8	H301 L303 R307 R308	H301-E305 PolarHBondContact O-N 2.82Å; L303-E305 PolarHBondContact O-N 3.04Å; E305-R307 PolarHBondContact O-N 3.29Å; E305-R307 VanDerWaalsContact O-N 3.17Å; E305-R308 WeakPolarHBondContact O-CB 3.13Å; E305-R308 WeakPolarHBondContact O-CG 3.28Å; E305-R308 PolarHBondContact O-N 2.95Å; E305-R308 IonicContact OE1-CZ 3.65Å; E305-R308 IonicContact OE1-NE 3.07Å; E305-R308 PolarHBondContact OE1-NE 3.39Å; E305-R308 IonicContact OE1-NH2 3.98Å; E305-R308 PolarHBondContact OE1-NH2 2.92Å; E305-R308 WeakPolarHBondContact OE2-CD 3.16Å; E305-R308 IonicContact OE2-CZ 2.68Å; E305-R308 IonicContact OE2-NE 3.37Å; E305-R308 PolarHBondContact OE2-NE 2.9Å; E305-R308 IonicContact OE2-NH2 3.71Å
306	V	94	Very high	94.6	Very high	93 Å²	93	51 Å²	51	56%	0.564	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-60.3	-26.8	173.6	-179.1	0	0	0	0	111.8	L303 L304 R308 I309	L303-V306 WeakPolarHBondContact O-CB 3.31Å; L303-V306 WeakPolarHBondContact O-CG2 3.34Å; L303-V306 PolarHBondContact O-N 2.99Å; L304-V306 PolarHBondContact O-N 2.93Å; L304-V306 VanDerWaalsContact O-N 3.15Å; V306-R308 PolarHBondContact O-N 3.49Å; V306-I309 HydrophobicContact CG1-CD1 3.91Å; V306-I309 VanDerWaalsContact O-CD1 3.29Å; V306-I309 WeakPolarHBondContact O-CD1 3.32Å; V306-I309 WeakPolarHBondContact O-CG1 3.39Å; V306-I309 PolarHBondContact O-N 3.5Å
307	R	95.1	Very high	94.4	Very high	55 Å²	55	50.5 Å²	50.5	21%	0.208	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-68.3	-17.7	178	-64.8	176.1	165.8	165.5	7.5	113.1	E251 L304 E305 I309 S310 L313 P373	E251-R307 IonicContact OE1-CZ 2.69Å; E251-R307 IonicContact OE1-NH1 3.91Å; E251-R307 IonicContact OE1-NH2 3.71Å; E251-R307 PolarHBondContact OE1-NH2 3.43Å; L304-R307 VanDerWaalsContact O-CB 3.24Å; L304-R307 WeakPolarHBondContact O-CB 3.38Å; L304-R307 PolarHBondContact O-N 2.9Å; E305-R307 PolarHBondContact O-N 3.29Å; E305-R307 VanDerWaalsContact O-N 3.17Å; R307-I309 PolarHBondContact O-N 2.83Å; R307-I309 VanDerWaalsContact O-N 3.09Å; R307-S310 PolarHBondContact O-N 3.43Å; R307-L313 HydrophobicContact CB-CB 3.97Å; R307-L313 WeakPolarHBondContact CD-O 3.29Å; R307-L313 HydrophobicContact CG-CB 4.27Å; R307-L313 WeakPolarHBondContact CG-O 3.34Å; R307-L313 WeakPolarHBondContact O-CB 3.28Å; R307-P373 HydrophobicContact CB-CG 4.46Å
308	R	95.3	Very high	94.3	Very high	73 Å²	73	53 Å²	53	28%	0.275	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-65.2	-11.9	177.2	-59.2	-160.8	-172.3	-94.7	-4.4	113.9	D210 E305 V306 S310 Y314 P373 N374	D210-R308 IonicContact OD1-NH1 2.61Å; D210-R308 IonicContact OD2-NH1 2.73Å; E305-R308 WeakPolarHBondContact O-CB 3.13Å; E305-R308 WeakPolarHBondContact O-CG 3.28Å; E305-R308 PolarHBondContact O-N 2.95Å; E305-R308 IonicContact OE1-CZ 3.65Å; E305-R308 IonicContact OE1-NE 3.07Å; E305-R308 PolarHBondContact OE1-NE 3.39Å; E305-R308 IonicContact OE1-NH2 3.98Å; E305-R308 PolarHBondContact OE1-NH2 2.92Å; E305-R308 WeakPolarHBondContact OE2-CD 3.16Å; E305-R308 IonicContact OE2-CZ 2.68Å; E305-R308 IonicContact OE2-NE 3.37Å; E305-R308 PolarHBondContact OE2-NE 2.9Å; E305-R308 IonicContact OE2-NH2 3.71Å; V306-R308 PolarHBondContact O-N 3.49Å; R308-S310 PolarHBondContact O-N 2.69Å; R308-Y314 WeakPolarHBondContact CG-OH 3.41Å; R308-Y314 PolarHBondContact NH1-OH 2.91Å; R308-P373 HydrophobicContact CG-CG 3.83Å; R308-N374 VanDerWaalsContact CZ-O 3.31Å; R308-N374 PolarHBondContact NH1-O 2.88Å; R308-N374 PolarHBondContact NH2-O 3.38Å
309	I	95.6	Very high	94.2	Very high	138 Å²	138	51.6 Å²	51.6	71%	0.708	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-55.3	-32.4	174.3	-66.1	168.9	0	0	0	111.6	V306 R307 L313	V306-I309 HydrophobicContact CG1-CD1 3.91Å; V306-I309 VanDerWaalsContact O-CD1 3.29Å; V306-I309 WeakPolarHBondContact O-CD1 3.32Å; V306-I309 WeakPolarHBondContact O-CG1 3.39Å; V306-I309 PolarHBondContact O-N 3.5Å; R307-I309 PolarHBondContact O-N 2.83Å; R307-I309 VanDerWaalsContact O-N 3.09Å; I309-L313 HydrophobicContact CB-CD1 4.34Å
310	S	95.6	Very high	94	Very high	34 Å²	34	52.3 Å²	52.3	24%	0.238	28%	0.275	C	S	.	.			trans	-150.4	139	177.1	172.8	0	0	0	0	111.7	R307 R308 Q312 L313	R307-S310 PolarHBondContact O-N 3.43Å; R308-S310 PolarHBondContact O-N 2.69Å; S310-Q312 PolarHBondContact O-N 3.21Å; S310-Q312 PolarHBondContact OG-N 3.41Å; S310-L313 WeakPolarHBondContact O-CB 3.43Å; S310-L313 PolarHBondContact O-N 2.65Å
311	P	94.4	Very high	93.7	Very high	35 Å²	35	56.5 Å²	56.5	23%	0.227	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-51.1	-32.4	173.4	-27.3	34.3	0	0	0	113.7	T213 V214 D217 R221 L313 Y314	T213-P311 HydrophobicContact CG2-CG 3.65Å; V214-P311 HydrophobicContact CG2-CB 4.25Å; V214-P311 HydrophobicContact CG2-CG 4.45Å; D217-P311 HydrophobicContact CB-CB 3.87Å; R221-P311 PolarHBondContact NH2-O 3.37Å; P311-L313 PolarHBondContact O-N 2.89Å; P311-Y314 WeakPolarHBondContact O-CB 3.3Å; P311-Y314 PolarHBondContact O-N 3.32Å
312	Q	94.8	Very high	93.3	Very high	151 Å²	151	58 Å²	58	71%	0.706	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-68.2	-23.5	-179.6	-62.9	-178.2	18.5	0	0	113.4	S310 Y314	S310-Q312 PolarHBondContact O-N 3.21Å; S310-Q312 PolarHBondContact OG-N 3.41Å; Q312-Y314 VanDerWaalsContact C-N 3.3Å
313	L	95.4	Very high	93	Very high	91 Å²	91	55.9 Å²	55.9	48%	0.476	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-82.3	-10.4	-179.4	-62.1	175.4	0	0	0	112.6	R307 I309 S310 P311 A315	R307-L313 HydrophobicContact CB-CB 3.97Å; R307-L313 WeakPolarHBondContact CD-O 3.29Å; R307-L313 HydrophobicContact CG-CB 4.27Å; R307-L313 WeakPolarHBondContact CG-O 3.34Å; R307-L313 WeakPolarHBondContact O-CB 3.28Å; I309-L313 HydrophobicContact CB-CD1 4.34Å; S310-L313 WeakPolarHBondContact O-CB 3.43Å; S310-L313 PolarHBondContact O-N 2.65Å; P311-L313 PolarHBondContact O-N 2.89Å; L313-A315 PolarHBondContact O-N 3.42Å
314	Y	96	Very high	92.9	Very high	3 Å²	3	53.5 Å²	53.5	1%	0.012	29%	0.289	C	S	.	.			trans	-62.4	122.5	172.3	-82.5	-100.3	0	0	0	110.6	D210 V214 R221 R308 P311 Q312 V371 P373 L375	D210-Y314 PolarHBondContact OD2-OH 3.37Å; V214-Y314 HydrophobicContact CB-CE2 4.47Å; V214-Y314 HydrophobicContact CG1-CD1 3.91Å; V214-Y314 HydrophobicContact CG1-CD2 3.92Å; V214-Y314 HydrophobicContact CG1-CE1 4.18Å; V214-Y314 HydrophobicContact CG1-CE2 4.17Å; V214-Y314 HydrophobicContact CG1-CG 3.75Å; V214-Y314 HydrophobicContact CG2-CD2 3.9Å; V214-Y314 HydrophobicContact CG2-CE1 4.42Å; V214-Y314 HydrophobicContact CG2-CE2 3.45Å; V214-Y314 VanDerWaalsContact CG2-CE2 3.45Å; R221-Y314 PolarHBondContact NH1-O 2.96Å; R221-Y314 VanDerWaalsContact NH1-O 3.08Å; R308-Y314 WeakPolarHBondContact CG-OH 3.41Å; R308-Y314 PolarHBondContact NH1-OH 2.91Å; P311-Y314 WeakPolarHBondContact O-CB 3.3Å; P311-Y314 PolarHBondContact O-N 3.32Å; Q312-Y314 VanDerWaalsContact C-N 3.3Å; Y314-V371 HydrophobicContact CD1-CG1 3.56Å; Y314-V371 HydrophobicContact CE1-CG1 4.33Å; Y314-V371 HydrophobicContact CG-CG1 4.4Å; Y314-P373 HydrophobicContact CD1-CG 4.11Å; Y314-P373 VanDerWaalsContact CE1-CD 3.47Å; Y314-P373 HydrophobicContact CE1-CG 3.5Å; Y314-P373 VanDerWaalsContact CE1-CG 3.5Å; Y314-P373 WeakPolarHBondContact CE1-O 3.14Å; Y314-L375 HydrophobicContact CD1-CD2 4.07Å; Y314-L375 HydrophobicContact CE1-CD2 3.31Å; Y314-L375 HydrophobicContact CE1-CG 4.42Å
315	A	93.9	Very high	92.9	Very high	28 Å²	28	53.7 Å²	53.7	23%	0.231	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	144	177.7	0	0	0	0	0	110.5	L313 V371 E372	L313-A315 PolarHBondContact O-N 3.42Å; A315-V371 WeakPolarHBondContact O-CA 3.42Å; A315-E372 PolarHBondContact N-O 3.42Å; A315-E372 PolarHBondContact O-N 3.06Å
316	V	94.8	Very high	93.1	Very high	46 Å²	46	49.6 Å²	49.6	28%	0.279	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	116.4	173.2	-179.8	0	0	0	0	106.9	L218 F223 H369 S370	L218-V316 HydrophobicContact CD2-CG2 3.67Å; F223-V316 HydrophobicContact CD1-CG1 4.41Å; F223-V316 HydrophobicContact CD2-CG1 3.92Å; F223-V316 HydrophobicContact CE1-CB 4.45Å; F223-V316 HydrophobicContact CE1-CG1 4.14Å; F223-V316 HydrophobicContact CE1-CG2 3.79Å; F223-V316 HydrophobicContact CE2-CG1 3.62Å; F223-V316 HydrophobicContact CE2-CG2 4.47Å; F223-V316 HydrophobicContact CG-CG1 4.33Å; F223-V316 HydrophobicContact CZ-CB 4.38Å; F223-V316 HydrophobicContact CZ-CG1 3.75Å; F223-V316 HydrophobicContact CZ-CG2 3.76Å; V316-H369 HydrophobicContact CG1-CB 3.78Å; V316-S370 WeakPolarHBondContact CA-O 3.23Å
317	S	92.4	Very high	93.3	Very high	4 Å²	4	45.1 Å²	45.1	3%	0.028	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	162	-179.1	54.4	0	0	0	0	110.5	Y247 A319 H369 S370	Y247-S317 PolarHBondContact OH-OG 3.4Å; S317-A319 PolarHBondContact O-N 3.24Å; S317-H369 CarbonylContact O-C 3.58Å; S317-H369 WeakPolarHBondContact O-CA 3.21Å; S317-S370 PolarHBondContact N-O 2.79Å; S317-S370 PolarHBondContact O-N 2.9Å; S317-S370 PolarHBondContact O-OG 2.89Å; S317-S370 PolarHBondContact OG-O 3.36Å; S317-S370 PolarHBondContact OG-OG 2.92Å
318	P	93	Very high	93.4	Very high	85 Å²	85	42.5 Å²	42.5	55%	0.552	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-58.3	135.3	170.4	-23.7	34.7	0	0	0	111.1	S370	P318-S370 PolarHBondContact O-OG 2.92Å
319	A	92.8	Very high	93.6	Very high	11 Å²	11	39 Å²	39	9%	0.091	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-65.9	144.2	179.6	0	0	0	0	0	111.8	Y229 K231 S317 Y357 A368	Y229-A319 HydrophobicContact CE2-CB 3.77Å; K231-A319 HydrophobicContact CD-CB 4.23Å; K231-A319 HydrophobicContact CG-CB 4.25Å; S317-A319 PolarHBondContact O-N 3.24Å; A319-Y357 WeakPolarHBondContact O-CE2 3.32Å; A319-A368 HydrophobicContact CB-CB 3.68Å; A319-A368 PolarHBondContact N-O 3.21Å
320	T	89.5	Confident	93.7	Very high	17 Å²	17	33 Å²	33	10%	0.104	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-96.8	173.9	173.8	59.4	0	0	0	0	111.6	K231 H234 E245 C322	K231-T320 PolarHBondContact NZ-O 3.31Å; H234-T320 PolarHBondContact CE1-OG1 3.21Å; H234-T320 PolarHBondContact ND1-OG1 3.06Å; E245-T320 WeakPolarHBondContact OE1-CG2 3.47Å; T320-C322 PolarHBondContact O-N 3.45Å
321	E	87.1	Confident	93.5	Very high	90 Å²	90	33.1 Å²	33.1	42%	0.421	20%	0.198	S	C	.	.	S	Bend	trans	-59.8	-45.6	-174.6	-79.2	168.8	-164.2	0	0	114.1	K231 D353 M354 Y357	K231-E321 PolarHBondContact NZ-O 3.11Å; E321-D353 WeakPolarHBondContact O-CB 3.28Å; E321-M354 HydrophobicContact CB-CE 4.37Å; E321-M354 HydrophobicContact CB-SD 3.57Å; E321-M354 VanDerWaalsContact CB-SD 3.57Å; E321-M354 HydrophobicContact CG-CE 3.85Å; E321-M354 HydrophobicContact CG-SD 3.73Å; E321-Y357 HydrophobicContact CB-CD1 4.42Å; E321-Y357 HydrophobicContact CB-CG 4.4Å; E321-Y357 HydrophobicContact CG-CD1 3.26Å; E321-Y357 HydrophobicContact CG-CD2 4.03Å; E321-Y357 HydrophobicContact CG-CE1 3.23Å; E321-Y357 HydrophobicContact CG-CE2 4.03Å; E321-Y357 HydrophobicContact CG-CG 3.63Å; E321-Y357 WeakPolarHBondContact OE1-CE1 3.46Å
322	C	84	Confident	93.4	Very high	45 Å²	45	36.2 Å²	36.2	30%	0.304	21%	0.212	S	C	.	.	S	Bend	trans	-81.2	141.9	-169.2	-167.3	0	0	0	0	114.9	K231 T320	K231-C322 PolarHBondContact NZ-O 3.15Å; T320-C322 PolarHBondContact O-N 3.45Å
323	C	86.3	Confident	93.4	Very high	27 Å²	27	29 Å²	29	18%	0.182	18%	0.179	C	C	.	.			trans	81.6	141.1	146.5	-48.4	0	0	0	0	114.4	K231 P235 D353	K231-C323 WeakPolarHBondContact CE-O 3.2Å; K231-C323 PolarHBondContact NZ-O 2.92Å; P235-C323 WeakPolarHBondContact CG-SG 3.36Å; C323-D353 PolarHBondContact N-OD2 3.43Å
324	T	92.1	Very high	93.5	Very high	9 Å²	9	24.7 Å²	24.7	6%	0.055	16%	0.156	C	C	.	.			trans	-139.1	33.5	-176.3	57.4	0	0	0	0	114.4	A326 M327 K352 D353	T324-A326 PolarHBondContact O-N 3.23Å; T324-M327 HydrophobicContact CG2-CE 4.09Å; T324-M327 HydrophobicContact CG2-CG 4.19Å; T324-M327 HydrophobicContact CG2-SD 3.94Å; T324-K352 WeakPolarHBondContact OG1-CE 3.35Å; T324-D353 HydrophobicContact CG2-CB 3.86Å
325	P	94.9	Very high	93.5	Very high	5 Å²	5	26.7 Å²	26.7	3%	0.032	17%	0.167	C	C	.	.	S	Bend	trans	-67.8	-21.6	-178.7	29.9	-35.2	0	0	0	112.6	L201 E202 A205 Y233	L201-P325 CarbonylContact C-O 3.53Å; L201-P325 WeakPolarHBondContact CA-O 3.39Å; E202-P325 HydrophobicContact CB-CB 4.43Å; E202-P325 PolarHBondContact N-O 3.01Å; A205-P325 HydrophobicContact CB-CB 4.21Å; A205-P325 VanDerWaalsContact CB-O 3.27Å; A205-P325 WeakPolarHBondContact CB-O 3.23Å; Y233-P325 HydrophobicContact CD1-CG 3.22Å; Y233-P325 HydrophobicContact CE1-CG 3.92Å; Y233-P325 HydrophobicContact CG-CG 3.69Å
326	A	97.8	Very high	93.6	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.008	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	117.6	174.1	0	0	0	0	0	111	L200 L201 A205 L232 T324 V376	L200-A326 WeakPolarHBondContact O-CA 3.35Å; L201-A326 HydrophobicContact CD2-CB 3.36Å; A205-A326 HydrophobicContact CB-CB 4.49Å; L232-A326 HydrophobicContact CB-CB 3.84Å; L232-A326 PolarHBondContact N-O 3.04Å; T324-A326 PolarHBondContact O-N 3.23Å; A326-V376 HydrophobicContact CB-CB 4.4Å; A326-V376 HydrophobicContact CB-CG1 3.83Å; A326-V376 HydrophobicContact CB-CG2 3.62Å
327	M	98.1	Very high	93.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	127	-172.7	-60.5	-68.4	-73.5	0	0	110.5	Y182 I199 L200 Y229 K231 T324 F329 L356	Y182-M327 WeakPolarHBondContact OH-CB 3.37Å; Y182-M327 VanDerWaalsContact OH-CG 3.28Å; Y182-M327 WeakPolarHBondContact OH-CG 3.41Å; I199-M327 CarbonylContact C-O 3.54Å; I199-M327 VanDerWaalsContact CA-O 3.26Å; I199-M327 WeakPolarHBondContact CA-O 3.41Å; L200-M327 PolarHBondContact N-O 2.66Å; L200-M327 PolarHBondContact O-N 3.44Å; Y229-M327 HydrophobicContact CD1-CE 4.39Å; Y229-M327 HydrophobicContact CD2-CE 3.23Å; Y229-M327 HydrophobicContact CE2-CE 3.76Å; Y229-M327 HydrophobicContact CG-CE 3.59Å; K231-M327 HydrophobicContact CB-SD 4.28Å; K231-M327 HydrophobicContact CD-SD 4.44Å; K231-M327 HydrophobicContact CG-CE 4.1Å; K231-M327 HydrophobicContact CG-SD 3.73Å; T324-M327 HydrophobicContact CG2-CE 4.09Å; T324-M327 HydrophobicContact CG2-CG 4.19Å; T324-M327 HydrophobicContact CG2-SD 3.94Å; M327-F329 HydrophobicContact CB-CE1 4.48Å; M327-F329 HydrophobicContact CB-CE2 3.67Å; M327-F329 HydrophobicContact CB-CZ 3.61Å; M327-F329 HydrophobicContact CG-CZ 4.42Å; M327-L356 HydrophobicContact CE-CD1 4.44Å
328	L	98.5	Very high	94	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	131.6	172.8	167.3	65.8	0	0	0	110.3	L93 I199 V215 L219 Y229 I230 L232	L93-L328 HydrophobicContact CD1-CD1 4.27Å; I199-L328 HydrophobicContact CD1-CD1 4.19Å; I199-L328 HydrophobicContact CG1-CB 4.07Å; I199-L328 HydrophobicContact CG1-CD1 3.55Å; I199-L328 HydrophobicContact CG1-CG 4.4Å; V215-L328 HydrophobicContact CG1-CD2 4.32Å; L219-L328 HydrophobicContact CD1-CD1 4.49Å; L219-L328 HydrophobicContact CD2-CD1 4.27Å; L219-L328 HydrophobicContact CD2-CD2 4.08Å; L219-L328 HydrophobicContact CD2-CG 4.49Å; L219-L328 HydrophobicContact CG-CD2 4.21Å; Y229-L328 CarbonylContact C-O 3.55Å; Y229-L328 VanDerWaalsContact CA-O 3.32Å; Y229-L328 WeakPolarHBondContact CA-O 3.32Å; I230-L328 HydrophobicContact CB-CB 4.13Å; I230-L328 HydrophobicContact CB-CD2 4.36Å; I230-L328 HydrophobicContact CB-CG 4.45Å; I230-L328 HydrophobicContact CD1-CD2 3.82Å; I230-L328 HydrophobicContact CD1-CG 4.32Å; I230-L328 PolarHBondContact N-O 3.49Å; I230-L328 PolarHBondContact O-N 2.83Å; L232-L328 HydrophobicContact CD1-CB 4.2Å; L232-L328 HydrophobicContact CD2-CB 4.05Å; L232-L328 HydrophobicContact CG-CB 4.26Å
329	F	98.2	Very high	94.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	101.5	-179.8	-59.2	-71.6	0	0	0	109.7	Y182 L186 M198 L200 L228 M327 A333 V337	Y182-F329 HydrophobicContact CE1-CZ 4.12Å; Y182-F329 WeakPolarHBondContact OH-CE2 3.49Å; Y182-F329 WeakPolarHBondContact OH-CZ 2.83Å; L186-F329 HydrophobicContact CD2-CD2 3.88Å; L186-F329 HydrophobicContact CD2-CE2 3.71Å; L186-F329 HydrophobicContact CD2-CZ 4.44Å; M198-F329 HydrophobicContact CB-CB 4.44Å; M198-F329 PolarHBondContact N-O 3.46Å; M198-F329 WeakPolarHBondContact O-CA 3.36Å; M198-F329 WeakPolarHBondContact O-CB 3.49Å; M198-F329 PolarHBondContact O-N 2.71Å; L200-F329 HydrophobicContact CB-CE2 3.96Å; L228-F329 WeakPolarHBondContact O-CD1 3.15Å; M327-F329 HydrophobicContact CB-CE1 4.48Å; M327-F329 HydrophobicContact CB-CE2 3.67Å; M327-F329 HydrophobicContact CB-CZ 3.61Å; M327-F329 HydrophobicContact CG-CZ 4.42Å; F329-A333 HydrophobicContact CB-CB 4.5Å; F329-V337 HydrophobicContact CD1-CB 4.37Å; F329-V337 HydrophobicContact CD1-CG2 3.89Å; F329-V337 HydrophobicContact CE1-CB 4.08Å; F329-V337 HydrophobicContact CE1-CG1 3.79Å; F329-V337 HydrophobicContact CE1-CG2 3.68Å; F329-V337 HydrophobicContact CZ-CG1 4.15Å
330	P	97.1	Very high	94.4	Very high	11 Å²	11	28 Å²	28	7%	0.071	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	140.1	177	-18.9	33.1	0	0	0	112.3	N197 L219 A224 I230 N332 A333	N197-P330 WeakPolarHBondContact OD1-CA 3.4Å; L219-P330 HydrophobicContact CD2-CB 4.18Å; L219-P330 HydrophobicContact CD2-CG 4.24Å; A224-P330 HydrophobicContact CB-CG 4.42Å; A224-P330 WeakPolarHBondContact O-CB 3.34Å; I230-P330 HydrophobicContact CD1-CG 4.08Å; P330-N332 PolarHBondContact O-N 2.92Å; P330-A333 WeakPolarHBondContact O-CB 3.33Å; P330-A333 PolarHBondContact O-N 2.93Å; P330-A333 VanDerWaalsContact O-N 3.11Å
331	G	92.2	Very high	94.8	Very high	36 Å²	36	27.2 Å²	27.2	37%	0.371	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	-135.5	175	0	0	0	0	0	113.6	K196 N197 A333	K196-G331 CarbonylContact O-C 3.38Å; K196-G331 WeakPolarHBondContact O-CA 3.27Å; K196-G331 PolarHBondContact O-N 2.5Å; N197-G331 PolarHBondContact OD1-N 3.11Å; G331-A333 PolarHBondContact O-N 3.35Å
332	N	91.8	Very high	95.2	Very high	100 Å²	100	26.3 Å²	26.3	54%	0.535	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	11	176.6	71	-5.6	0	0	0	113.8	P330 S334 L335 R336	P330-N332 PolarHBondContact O-N 2.92Å; N332-S334 PolarHBondContact O-N 2.89Å; N332-L335 PolarHBondContact O-N 2.88Å; N332-R336 PolarHBondContact O-N 3.36Å; N332-R336 PolarHBondContact OD1-NE 3.32Å
333	A	96.4	Very high	95.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-64.7	-27.7	-175	0	0	0	0	0	113	L228 F329 P330 G331 L335 R336 V337	L228-A333 HydrophobicContact CD1-CB 4.49Å; L228-A333 VanDerWaalsContact O-CB 3.22Å; L228-A333 WeakPolarHBondContact O-CB 3.3Å; F329-A333 HydrophobicContact CB-CB 4.5Å; P330-A333 WeakPolarHBondContact O-CB 3.33Å; P330-A333 PolarHBondContact O-N 2.93Å; P330-A333 VanDerWaalsContact O-N 3.11Å; G331-A333 PolarHBondContact O-N 3.35Å; A333-L335 PolarHBondContact O-N 2.91Å; A333-R336 PolarHBondContact O-N 2.88Å; A333-V337 WeakPolarHBondContact O-CB 3.2Å; A333-V337 VanDerWaalsContact O-CG2 3.23Å; A333-V337 WeakPolarHBondContact O-CG2 3.37Å; A333-V337 PolarHBondContact O-N 3.39Å
334	S	96.1	Very high	96.2	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.007	17%	0.165	C	C	.	.	H	α-helix	trans	-59.3	-43.1	176.2	53.8	0	0	0	0	112.6	N332 V337 A338	N332-S334 PolarHBondContact O-N 2.89Å; S334-V337 PolarHBondContact O-N 2.69Å; S334-A338 PolarHBondContact O-N 3.11Å
335	L	96.8	Very high	96.4	Very high	44 Å²	44	31.9 Å²	31.9	23%	0.23	19%	0.185	C	C	.	.	H	α-helix	trans	-68.9	-43.3	177.7	-64.8	-177.3	0	0	0	111.7	W190 N332 A333 V337 A338 D339	W190-L335 HydrophobicContact CB-CD2 4.03Å; W190-L335 HydrophobicContact CD2-CD1 3.72Å; W190-L335 HydrophobicContact CD2-CD2 3.95Å; W190-L335 HydrophobicContact CD2-CG 4.06Å; W190-L335 HydrophobicContact CE3-CD1 4.02Å; W190-L335 HydrophobicContact CE3-CD2 4.16Å; W190-L335 HydrophobicContact CG-CD1 4.24Å; W190-L335 HydrophobicContact CG-CD2 3.86Å; W190-L335 HydrophobicContact CG-CG 4.05Å; W190-L335 HydrophobicContact CH2-CD1 4.14Å; W190-L335 HydrophobicContact CZ2-CD1 3.84Å; W190-L335 HydrophobicContact CZ3-CD1 4.22Å; N332-L335 PolarHBondContact O-N 2.88Å; A333-L335 PolarHBondContact O-N 2.91Å; L335-V337 VanDerWaalsContact C-N 3.28Å; L335-V337 PolarHBondContact O-N 3.02Å; L335-A338 WeakPolarHBondContact O-CB 3.32Å; L335-A338 PolarHBondContact O-N 3.03Å; L335-A338 VanDerWaalsContact O-N 3.12Å; L335-D339 VanDerWaalsContact O-CG 3.31Å; L335-D339 PolarHBondContact O-N 3Å
336	R	96.4	Very high	96.4	Very high	72 Å²	72	31.7 Å²	31.7	27%	0.272	18%	0.184	S	C	.	.	H	α-helix	trans	-60.6	-40.2	175.6	-66.2	-173.1	-67.9	137.7	5.9	111.8	L228 N332 A333 D339 F340 E366	L228-R336 HydrophobicContact CD1-CB 4.17Å; N332-R336 PolarHBondContact O-N 3.36Å; N332-R336 PolarHBondContact OD1-NE 3.32Å; A333-R336 PolarHBondContact O-N 2.88Å; R336-D339 PolarHBondContact O-N 3.32Å; R336-F340 VanDerWaalsContact O-CD2 3.3Å; R336-F340 WeakPolarHBondContact O-CD2 3.47Å; R336-F340 VanDerWaalsContact O-CG 3.29Å; R336-F340 WeakPolarHBondContact O-CG 3.48Å; R336-F340 PolarHBondContact O-N 3.14Å; R336-E366 IonicContact CZ-OE1 2.84Å; R336-E366 IonicContact CZ-OE2 2.88Å; R336-E366 IonicContact NH1-OE1 3.11Å; R336-E366 PolarHBondContact NH1-OE1 3.48Å; R336-E366 IonicContact NH1-OE2 3.86Å; R336-E366 PolarHBondContact NH1-OE2 3.05Å; R336-E366 IonicContact NH2-OE2 3.14Å
337	V	97.6	Very high	96.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.3	-45.2	173.8	161.1	0	0	0	0	111.2	Y182 L186 L228 F329 A333 S334 L335 D339 F340 L341 L356	Y182-V337 HydrophobicContact CE1-CG1 4.49Å; L186-V337 HydrophobicContact CD1-CB 4.46Å; L186-V337 HydrophobicContact CD1-CG1 3.75Å; L228-V337 HydrophobicContact CD1-CG2 3.61Å; L228-V337 HydrophobicContact CD2-CG2 4.28Å; L228-V337 HydrophobicContact CG-CG2 3.67Å; F329-V337 HydrophobicContact CD1-CB 4.37Å; F329-V337 HydrophobicContact CD1-CG2 3.89Å; F329-V337 HydrophobicContact CE1-CB 4.08Å; F329-V337 HydrophobicContact CE1-CG1 3.79Å; F329-V337 HydrophobicContact CE1-CG2 3.68Å; F329-V337 HydrophobicContact CZ-CG1 4.15Å; A333-V337 WeakPolarHBondContact O-CB 3.2Å; A333-V337 VanDerWaalsContact O-CG2 3.23Å; A333-V337 WeakPolarHBondContact O-CG2 3.37Å; A333-V337 PolarHBondContact O-N 3.39Å; S334-V337 PolarHBondContact O-N 2.69Å; L335-V337 VanDerWaalsContact C-N 3.28Å; L335-V337 PolarHBondContact O-N 3.02Å; V337-D339 VanDerWaalsContact C-N 3.33Å; V337-D339 PolarHBondContact O-N 3.32Å; V337-F340 PolarHBondContact O-N 3.14Å; V337-L341 HydrophobicContact CG1-CD1 4.13Å; V337-L341 WeakPolarHBondContact O-CG 3.3Å; V337-L341 PolarHBondContact O-N 3.08Å; V337-L356 HydrophobicContact CB-CD2 4.45Å; V337-L356 HydrophobicContact CG1-CD1 4.35Å; V337-L356 HydrophobicContact CG1-CD2 3.76Å; V337-L356 HydrophobicContact CG2-CD2 4.35Å
338	A	97.6	Very high	96	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-57.6	-45.7	175.2	0	0	0	0	0	111.7	V183 L186 R187 S334 L335 F340 L341 D342	V183-A338 HydrophobicContact CG1-CB 4.06Å; L186-A338 HydrophobicContact CD1-CB 4.38Å; R187-A338 HydrophobicContact CG-CB 4.17Å; S334-A338 PolarHBondContact O-N 3.11Å; L335-A338 WeakPolarHBondContact O-CB 3.32Å; L335-A338 PolarHBondContact O-N 3.03Å; L335-A338 VanDerWaalsContact O-N 3.12Å; A338-F340 PolarHBondContact O-N 2.9Å; A338-L341 PolarHBondContact O-N 3.35Å; A338-D342 PolarHBondContact O-N 3.39Å
339	D	97.3	Very high	95.6	Very high	89 Å²	89	48.6 Å²	48.6	48%	0.476	27%	0.273	S	S	.	.	H	α-helix	trans	-66.4	-38.8	-180	-62.4	-22.3	0	0	0	112.6	R187 L335 R336 V337 L341 D342 G343	R187-D339 IonicContact CZ-OD1 3.34Å; R187-D339 IonicContact NH2-OD1 3.6Å; R187-D339 PolarHBondContact NH2-OD1 3.17Å; L335-D339 VanDerWaalsContact O-CG 3.31Å; L335-D339 PolarHBondContact O-N 3Å; R336-D339 PolarHBondContact O-N 3.32Å; V337-D339 VanDerWaalsContact C-N 3.33Å; V337-D339 PolarHBondContact O-N 3.32Å; D339-L341 VanDerWaalsContact C-N 3.34Å; D339-L341 PolarHBondContact O-N 3.49Å; D339-D342 PolarHBondContact O-N 3.5Å; D339-G343 PolarHBondContact O-N 3.2Å
340	F	96.9	Very high	95.4	Very high	41 Å²	41	49 Å²	49	18%	0.18	28%	0.275	C	S	.	.	H	α-helix	trans	-64.3	-38.3	174.7	-69.9	-29.6	0	0	0	113.1	L228 R336 V337 A338 S344 K359 T363 E366	L228-F340 HydrophobicContact CD1-CD2 4.3Å; L228-F340 HydrophobicContact CD1-CE2 3.86Å; L228-F340 HydrophobicContact CD2-CD2 4Å; L228-F340 HydrophobicContact CD2-CE2 3.84Å; R336-F340 VanDerWaalsContact O-CD2 3.3Å; R336-F340 WeakPolarHBondContact O-CD2 3.47Å; R336-F340 VanDerWaalsContact O-CG 3.29Å; R336-F340 WeakPolarHBondContact O-CG 3.48Å; R336-F340 PolarHBondContact O-N 3.14Å; V337-F340 PolarHBondContact O-N 3.14Å; A338-F340 PolarHBondContact O-N 2.9Å; F340-S344 PolarHBondContact O-OG 2.95Å; F340-K359 HydrophobicContact CB-CD 4.31Å; F340-K359 HydrophobicContact CB-CG 4.1Å; F340-K359 HydrophobicContact CD1-CD 4.17Å; F340-K359 HydrophobicContact CD2-CB 4.2Å; F340-K359 HydrophobicContact CG-CB 4.35Å; F340-K359 HydrophobicContact CG-CD 4.2Å; F340-K359 HydrophobicContact CG-CG 4.24Å; F340-T363 HydrophobicContact CZ-CG2 4.16Å; F340-E366 HydrophobicContact CE2-CG 4.29Å; F340-E366 HydrophobicContact CZ-CG 4.34Å
341	L	97.4	Very high	95.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-71.2	-40.9	177.4	-72	177	0	0	0	111.4	K179 Y182 V183 V337 A338 D339 G343 S344 K352 V355 L356	K179-L341 HydrophobicContact CD-CB 4.37Å; K179-L341 WeakPolarHBondContact CD-O 3.5Å; K179-L341 WeakPolarHBondContact CE-O 3.32Å; K179-L341 HydrophobicContact CG-CB 4.07Å; K179-L341 HydrophobicContact CG-CD2 4.25Å; K179-L341 PolarHBondContact NZ-O 2.96Å; Y182-L341 HydrophobicContact CD1-CD1 3.75Å; Y182-L341 HydrophobicContact CE1-CD1 4.26Å; V183-L341 HydrophobicContact CG2-CB 3.57Å; V183-L341 HydrophobicContact CG2-CD1 3.95Å; V183-L341 HydrophobicContact CG2-CG 4.42Å; V337-L341 HydrophobicContact CG1-CD1 4.13Å; V337-L341 WeakPolarHBondContact O-CG 3.3Å; V337-L341 PolarHBondContact O-N 3.08Å; A338-L341 PolarHBondContact O-N 3.35Å; D339-L341 VanDerWaalsContact C-N 3.34Å; D339-L341 PolarHBondContact O-N 3.49Å; L341-G343 VanDerWaalsContact C-N 3.31Å; L341-G343 PolarHBondContact O-N 3.43Å; L341-S344 PolarHBondContact O-N 2.9Å; L341-S344 VanDerWaalsContact O-N 3.1Å; L341-K352 HydrophobicContact CD2-CB 4.14Å; L341-V355 HydrophobicContact CD2-CB 4.16Å; L341-V355 HydrophobicContact CD2-CG1 3.92Å; L341-L356 HydrophobicContact CD1-CD2 4.25Å; L341-L356 HydrophobicContact CD2-CD2 3.81Å; L341-L356 HydrophobicContact CD2-CG 3.95Å; L341-L356 HydrophobicContact CG-CD2 3.86Å; L341-L356 HydrophobicContact CG-CG 4.43Å
342	D	96	Very high	95.4	Very high	71 Å²	71	48.3 Å²	48.3	38%	0.38	26%	0.263	S	S	.	.	H	α-helix	trans	-62.5	-39.4	175.8	-85.5	-8.3	0	0	0	112.5	V183 R187 A338 D339 S344	V183-D342 WeakPolarHBondContact CG1-OD1 3.25Å; R187-D342 IonicContact CZ-OD2 3.59Å; R187-D342 IonicContact NH1-OD2 3.47Å; R187-D342 PolarHBondContact NH1-OD2 2.94Å; R187-D342 IonicContact NH2-OD2 3.6Å; R187-D342 PolarHBondContact NH2-OD2 3.2Å; A338-D342 PolarHBondContact O-N 3.39Å; D339-D342 PolarHBondContact O-N 3.5Å; D342-S344 PolarHBondContact O-N 2.79Å; D342-S344 VanDerWaalsContact O-N 3.08Å
343	G	95.7	Very high	95.5	Very high	67 Å²	67	44.8 Å²	44.8	69%	0.691	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	4	175.4	0	0	0	0	0	114.8	D339 L341	D339-G343 PolarHBondContact O-N 3.2Å; L341-G343 VanDerWaalsContact C-N 3.31Å; L341-G343 PolarHBondContact O-N 3.43Å
344	S	95.8	Very high	95.5	Very high	23 Å²	23	46.7 Å²	46.7	16%	0.161	25%	0.254	C	S	.	.	S	Bend	trans	-132.2	137.9	-175.4	-53.4	0	0	0	0	111.4	K179 F340 L341 D342 V355	K179-S344 PolarHBondContact NZ-O 3.19Å; F340-S344 PolarHBondContact O-OG 2.95Å; L341-S344 PolarHBondContact O-N 2.9Å; L341-S344 VanDerWaalsContact O-N 3.1Å; D342-S344 PolarHBondContact O-N 2.79Å; D342-S344 VanDerWaalsContact O-N 3.08Å; S344-V355 WeakPolarHBondContact OG-CG1 3.35Å
345	F	95.6	Very high	95.5	Very high	109 Å²	109	46.9 Å²	46.9	48%	0.478	26%	0.255	S	S	.	.			trans	-93.1	128.9	174.7	-171.1	-99.1	0	0	0	111.1	P172 E176 Y347 N350	P172-F345 HydrophobicContact CG-CE2 3.76Å; P172-F345 HydrophobicContact CG-CZ 3.51Å; E176-F345 HydrophobicContact CB-CE2 4.39Å; E176-F345 HydrophobicContact CG-CD2 4.26Å; E176-F345 HydrophobicContact CG-CE2 3.86Å; E176-F345 HydrophobicContact CG-CZ 4.47Å; F345-Y347 HydrophobicContact CD1-CD1 4.16Å; F345-N350 PolarHBondContact O-ND2 3.15Å
346	C	96.1	Very high	95.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.244	C	C	.	.			trans	-96.3	138.7	-178.4	-77	0	0	0	0	112.4	N173 F175 E176 K179 N350	N173-C346 PolarHBondContact ND2-O 3.34Å; N173-C346 PolarHBondContact OD1-O 2.96Å; F175-C346 HydrophobicContact CB-CB 4.01Å; F175-C346 WeakPolarHBondContact O-CB 3.26Å; E176-C346 PolarHBondContact OE2-N 2.85Å; K179-C346 HydrophobicContact CB-CB 4.18Å; K179-C346 HydrophobicContact CD-CB 4.15Å; K179-C346 WeakPolarHBondContact CD-SG 3.38Å; C346-N350 WeakPolarHBondContact CA-O 3.19Å
347	Y	94.7	Very high	95.4	Very high	119 Å²	119	43.2 Å²	43.2	47%	0.467	24%	0.238	S	C	.	.	B	Isolated β-bridge	trans	-155.6	176.5	178.1	59.9	-88.6	0	0	0	109.9	F345 G349 N350 A351	F345-Y347 HydrophobicContact CD1-CD1 4.16Å; Y347-G349 PolarHBondContact O-N 2.93Å; Y347-N350 HydrophobicContact CD1-CB 3.97Å; Y347-N350 HydrophobicContact CD2-CB 4.2Å; Y347-N350 HydrophobicContact CE1-CB 3.54Å; Y347-N350 HydrophobicContact CE2-CB 3.78Å; Y347-N350 HydrophobicContact CG-CB 4.28Å; Y347-N350 VanDerWaalsContact CZ-CB 3.43Å; Y347-N350 PolarHBondContact N-O 2.86Å; Y347-N350 CarbonylContact O-C 3.49Å; Y347-N350 PolarHBondContact O-N 2.88Å; Y347-A351 PolarHBondContact O-N 2.93Å
348	K	92.2	Very high	95.3	Very high	174 Å²	174	49.3 Å²	49.3	76%	0.757	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	120.8	179.5	-171.5	178.7	179	-178.9	0	111	F175 N350	F175-K348 HydrophobicContact CD2-CB 4.36Å; F175-K348 HydrophobicContact CE2-CB 3.62Å; F175-K348 HydrophobicContact CE2-CG 4.21Å; F175-K348 HydrophobicContact CZ-CB 3.93Å; F175-K348 HydrophobicContact CZ-CG 4.07Å; K348-N350 VanDerWaalsContact C-N 3.34Å
349	G	90.3	Very high	95.2	Very high	63 Å²	63	52.3 Å²	52.3	65%	0.649	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.2	-5.9	-176.3	0	0	0	0	0	114.7	Y347	Y347-G349 PolarHBondContact O-N 2.93Å
350	N	93.8	Very high	95.1	Very high	10 Å²	10	48.5 Å²	48.5	5%	0.053	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-138.6	54.6	172.4	-167.5	64.4	0	0	0	109.1	F345 C346 Y347 K348 R358	F345-N350 PolarHBondContact O-ND2 3.15Å; C346-N350 WeakPolarHBondContact CA-O 3.19Å; Y347-N350 HydrophobicContact CD1-CB 3.97Å; Y347-N350 HydrophobicContact CD2-CB 4.2Å; Y347-N350 HydrophobicContact CE1-CB 3.54Å; Y347-N350 HydrophobicContact CE2-CB 3.78Å; Y347-N350 HydrophobicContact CG-CB 4.28Å; Y347-N350 VanDerWaalsContact CZ-CB 3.43Å; Y347-N350 PolarHBondContact N-O 2.86Å; Y347-N350 CarbonylContact O-C 3.49Å; Y347-N350 PolarHBondContact O-N 2.88Å; K348-N350 VanDerWaalsContact C-N 3.34Å; N350-R358 PolarHBondContact OD1-NH2 3.47Å
351	A	94.4	Very high	94.9	Very high	13 Å²	13	55.3 Å²	55.3	11%	0.107	28%	0.28	C	S	.	.			trans	-75.2	175.3	177.1	0	0	0	0	0	111	F175 Y347 D353 M354 V355	F175-A351 HydrophobicContact CD1-CB 3.7Å; F175-A351 HydrophobicContact CE1-CB 4.29Å; Y347-A351 PolarHBondContact O-N 2.93Å; A351-D353 WeakPolarHBondContact CB-OD1 3.49Å; A351-D353 PolarHBondContact O-N 2.86Å; A351-D353 VanDerWaalsContact O-N 3.15Å; A351-M354 PolarHBondContact O-N 3.32Å; A351-M354 VanDerWaalsContact O-N 3.08Å; A351-V355 PolarHBondContact O-N 2.87Å
352	K	94.9	Very high	94.8	Very high	18 Å²	18	59.8 Å²	59.8	8%	0.078	31%	0.307	C	S	.	.	H	α-helix	trans	-52.4	-39.7	-175.3	71.8	-164.5	-171.3	-156.6	0	112.7	Y182 E202 T324 L341 V355 L356	Y182-K352 HydrophobicContact CD2-CD 4.08Å; Y182-K352 HydrophobicContact CG-CD 4.25Å; E202-K352 IonicContact OE1-NZ 2.79Å; E202-K352 PolarHBondContact OE1-NZ 3.24Å; T324-K352 WeakPolarHBondContact OG1-CE 3.35Å; L341-K352 HydrophobicContact CD2-CB 4.14Å; K352-V355 PolarHBondContact O-N 2.98Å; K352-L356 VanDerWaalsContact O-CG 3.28Å; K352-L356 WeakPolarHBondContact O-CG 3.48Å; K352-L356 PolarHBondContact O-N 3.47Å
353	D	94.7	Very high	94.8	Very high	26 Å²	26	58.2 Å²	58.2	14%	0.139	30%	0.3	C	S	.	.	H	α-helix	trans	-63.4	-45.7	178.4	61.4	-16.6	0	0	0	113.1	E321 C323 T324 A351 L356 Y357	E321-D353 WeakPolarHBondContact O-CB 3.28Å; C323-D353 PolarHBondContact N-OD2 3.43Å; T324-D353 HydrophobicContact CG2-CB 3.86Å; A351-D353 WeakPolarHBondContact CB-OD1 3.49Å; A351-D353 PolarHBondContact O-N 2.86Å; A351-D353 VanDerWaalsContact O-N 3.15Å; D353-L356 PolarHBondContact O-N 3.47Å; D353-Y357 WeakPolarHBondContact O-CB 3.36Å; D353-Y357 PolarHBondContact O-N 3.31Å
354	M	95.3	Very high	94.6	Very high	41 Å²	41	60.9 Å²	60.9	20%	0.202	31%	0.305	C	S	.	.	H	α-helix	trans	-63.5	-40.1	174.8	-71.6	-56.4	-56.7	0	0	112.6	E321 A351 Y357 R358	E321-M354 HydrophobicContact CB-CE 4.37Å; E321-M354 HydrophobicContact CB-SD 3.57Å; E321-M354 VanDerWaalsContact CB-SD 3.57Å; E321-M354 HydrophobicContact CG-CE 3.85Å; E321-M354 HydrophobicContact CG-SD 3.73Å; A351-M354 PolarHBondContact O-N 3.32Å; A351-M354 VanDerWaalsContact O-N 3.08Å; M354-Y357 PolarHBondContact O-N 2.87Å; M354-R358 WeakPolarHBondContact O-CB 3.21Å; M354-R358 PolarHBondContact O-N 3.48Å
355	V	95.8	Very high	94.4	Very high	5 Å²	5	62.9 Å²	62.9	3%	0.03	33%	0.33	C	S	.	.	H	α-helix	trans	-61.9	-49.5	176.3	172.8	0	0	0	0	110.1	L341 S344 A351 K352 Y357 R358 K359	L341-V355 HydrophobicContact CD2-CB 4.16Å; L341-V355 HydrophobicContact CD2-CG1 3.92Å; S344-V355 WeakPolarHBondContact OG-CG1 3.35Å; A351-V355 PolarHBondContact O-N 2.87Å; K352-V355 PolarHBondContact O-N 2.98Å; V355-Y357 PolarHBondContact O-N 3.31Å; V355-R358 PolarHBondContact O-N 3.04Å; V355-K359 HydrophobicContact CG1-CG 4.34Å; V355-K359 WeakPolarHBondContact O-CB 3.45Å; V355-K359 VanDerWaalsContact O-CG 3.24Å; V355-K359 WeakPolarHBondContact O-CG 3.41Å; V355-K359 PolarHBondContact O-N 3.43Å
356	L	96.6	Very high	94.3	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-62.9	-42	178.8	-67.7	179.8	0	0	0	112.5	Y229 M327 V337 L341 K352 D353 K359 A360	Y229-L356 HydrophobicContact CD1-CB 4.49Å; Y229-L356 HydrophobicContact CE1-CB 3.79Å; M327-L356 HydrophobicContact CE-CD1 4.44Å; V337-L356 HydrophobicContact CB-CD2 4.45Å; V337-L356 HydrophobicContact CG1-CD1 4.35Å; V337-L356 HydrophobicContact CG1-CD2 3.76Å; V337-L356 HydrophobicContact CG2-CD2 4.35Å; L341-L356 HydrophobicContact CD1-CD2 4.25Å; L341-L356 HydrophobicContact CD2-CD2 3.81Å; L341-L356 HydrophobicContact CD2-CG 3.95Å; L341-L356 HydrophobicContact CG-CD2 3.86Å; L341-L356 HydrophobicContact CG-CG 4.43Å; K352-L356 VanDerWaalsContact O-CG 3.28Å; K352-L356 WeakPolarHBondContact O-CG 3.48Å; K352-L356 PolarHBondContact O-N 3.47Å; D353-L356 PolarHBondContact O-N 3.47Å; L356-K359 PolarHBondContact O-N 3.31Å; L356-A360 VanDerWaalsContact O-CB 3.32Å; L356-A360 WeakPolarHBondContact O-CB 3.31Å; L356-A360 PolarHBondContact O-N 2.93Å
357	Y	95.3	Very high	94.3	Very high	38 Å²	38	66.4 Å²	66.4	15%	0.149	34%	0.341	C	S	.	.	H	α-helix	trans	-60.6	-46.8	175.4	174.3	-99.7	0	0	0	111.9	Y229 A319 E321 D353 M354 V355 A360 R361	Y229-Y357 WeakPolarHBondContact OH-CA 3.39Å; A319-Y357 WeakPolarHBondContact O-CE2 3.32Å; E321-Y357 HydrophobicContact CB-CD1 4.42Å; E321-Y357 HydrophobicContact CB-CG 4.4Å; E321-Y357 HydrophobicContact CG-CD1 3.26Å; E321-Y357 HydrophobicContact CG-CD2 4.03Å; E321-Y357 HydrophobicContact CG-CE1 3.23Å; E321-Y357 HydrophobicContact CG-CE2 4.03Å; E321-Y357 HydrophobicContact CG-CG 3.63Å; E321-Y357 WeakPolarHBondContact OE1-CE1 3.46Å; D353-Y357 WeakPolarHBondContact O-CB 3.36Å; D353-Y357 PolarHBondContact O-N 3.31Å; M354-Y357 PolarHBondContact O-N 2.87Å; V355-Y357 PolarHBondContact O-N 3.31Å; Y357-A360 PolarHBondContact O-N 3.31Å; Y357-R361 VanDerWaalsContact CZ-CD 3.49Å; Y357-R361 PolarHBondContact O-N 2.9Å; Y357-R361 PolarHBondContact OH-NH1 2.86Å
358	R	95.1	Very high	94.4	Very high	128 Å²	128	61.4 Å²	61.4	48%	0.483	32%	0.324	S	S	.	.	H	α-helix	trans	-61.2	-49.1	177.6	-169.1	-178.6	-59.8	153.7	11.3	110.8	N350 M354 V355 A360 R361 T362	N350-R358 PolarHBondContact OD1-NH2 3.47Å; M354-R358 WeakPolarHBondContact O-CB 3.21Å; M354-R358 PolarHBondContact O-N 3.48Å; V355-R358 PolarHBondContact O-N 3.04Å; R358-A360 VanDerWaalsContact C-N 3.34Å; R358-A360 PolarHBondContact O-N 3.48Å; R358-R361 PolarHBondContact O-N 2.76Å; R358-T362 HydrophobicContact CG-CG2 4.03Å; R358-T362 WeakPolarHBondContact O-CG2 3.36Å; R358-T362 PolarHBondContact O-N 2.95Å; R358-T362 PolarHBondContact O-OG1 3.04Å
359	K	95.4	Very high	94.6	Very high	64 Å²	64	54.5 Å²	54.5	28%	0.278	29%	0.294	S	S	.	.	H	α-helix	trans	-59.8	-42.6	-179.9	-69.9	-74.3	-175.5	-179.9	0	112.2	F340 V355 L356 R361 T362 T363	F340-K359 HydrophobicContact CB-CD 4.31Å; F340-K359 HydrophobicContact CB-CG 4.1Å; F340-K359 HydrophobicContact CD1-CD 4.17Å; F340-K359 HydrophobicContact CD2-CB 4.2Å; F340-K359 HydrophobicContact CG-CB 4.35Å; F340-K359 HydrophobicContact CG-CD 4.2Å; F340-K359 HydrophobicContact CG-CG 4.24Å; V355-K359 HydrophobicContact CG1-CG 4.34Å; V355-K359 WeakPolarHBondContact O-CB 3.45Å; V355-K359 VanDerWaalsContact O-CG 3.24Å; V355-K359 WeakPolarHBondContact O-CG 3.41Å; V355-K359 PolarHBondContact O-N 3.43Å; L356-K359 PolarHBondContact O-N 3.31Å; K359-R361 PolarHBondContact O-N 2.69Å; K359-T362 PolarHBondContact O-N 3.05Å; K359-T363 VanDerWaalsContact O-CB 3.24Å; K359-T363 WeakPolarHBondContact O-CB 3.5Å; K359-T363 PolarHBondContact O-N 3.44Å; K359-T363 PolarHBondContact O-OG1 3.29Å; K359-T363 VanDerWaalsContact O-OG1 3.06Å
360	A	95.1	Very high	94.8	Very high	9 Å²	9	51.7 Å²	51.7	7%	0.074	27%	0.265	C	S	.	.	H	α-helix	trans	-62.9	-23.8	176.5	0	0	0	0	0	113.6	L228 Y229 L356 Y357 R358 E366 A368	L228-A360 HydrophobicContact CD2-CB 4.34Å; Y229-A360 HydrophobicContact CE1-CB 4.06Å; L356-A360 VanDerWaalsContact O-CB 3.32Å; L356-A360 WeakPolarHBondContact O-CB 3.31Å; L356-A360 PolarHBondContact O-N 2.93Å; Y357-A360 PolarHBondContact O-N 3.31Å; R358-A360 VanDerWaalsContact C-N 3.34Å; R358-A360 PolarHBondContact O-N 3.48Å; A360-E366 VanDerWaalsContact O-O 3.06Å; A360-A368 HydrophobicContact CB-CB 3.6Å
361	R	93.7	Very high	94.9	Very high	184 Å²	184	51.3 Å²	51.3	69%	0.694	26%	0.263	S	S	*	.	H	α-helix	trans	-95.9	-31.4	178.6	-68.3	-170.5	67.8	158.6	1.4	113.8	Y357 R358 K359	Y357-R361 VanDerWaalsContact CZ-CD 3.49Å; Y357-R361 PolarHBondContact O-N 2.9Å; Y357-R361 PolarHBondContact OH-NH1 2.86Å; R358-R361 PolarHBondContact O-N 2.76Å; K359-R361 PolarHBondContact O-N 2.69Å
362	T	94.8	Very high	95	Very high	93 Å²	93	50.8 Å²	50.8	57%	0.571	26%	0.258	S	S	*	.	H	α-helix	trans	-92.7	-24.5	-174.5	58.3	0	0	0	0	113.3	R358 K359	R358-T362 HydrophobicContact CG-CG2 4.03Å; R358-T362 WeakPolarHBondContact O-CG2 3.36Å; R358-T362 PolarHBondContact O-N 2.95Å; R358-T362 PolarHBondContact O-OG1 3.04Å; K359-T362 PolarHBondContact O-N 3.05Å
363	T	94.8	Very high	95	Very high	39 Å²	39	50 Å²	50	24%	0.239	26%	0.255	C	S	.	.	S	Bend	trans	-88.9	122.8	-177.3	-55.3	0	0	0	0	110.2	F340 K359 G365 E366	F340-T363 HydrophobicContact CZ-CG2 4.16Å; K359-T363 VanDerWaalsContact O-CB 3.24Å; K359-T363 WeakPolarHBondContact O-CB 3.5Å; K359-T363 PolarHBondContact O-N 3.44Å; K359-T363 PolarHBondContact O-OG1 3.29Å; K359-T363 VanDerWaalsContact O-OG1 3.06Å; T363-G365 PolarHBondContact O-N 2.88Å; T363-E366 HydrophobicContact CG2-CG 3.53Å; T363-E366 PolarHBondContact O-N 2.73Å
364	P	93.3	Very high	95.1	Very high	122 Å²	122	49.1 Å²	49.1	79%	0.792	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	134.2	178.5	-25.2	34.6	0	0	0	112.4	E366	P364-E366 PolarHBondContact O-N 3.44Å
365	G	90.8	Very high	95.1	Very high	66 Å²	66	47.2 Å²	47.2	68%	0.68	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.4	-13.1	179	0	0	0	0	0	115	T363	T363-G365 PolarHBondContact O-N 2.88Å
366	E	94.3	Very high	95.2	Very high	23 Å²	23	47.2 Å²	47.2	11%	0.107	24%	0.241	C	C	.	.			trans	-80.1	141.2	173.5	-57.2	-61.8	179.1	0	0	111.3	L228 R336 F340 A360 T363 P364	L228-E366 HydrophobicContact CD2-CB 4.46Å; R336-E366 IonicContact CZ-OE1 2.84Å; R336-E366 IonicContact CZ-OE2 2.88Å; R336-E366 IonicContact NH1-OE1 3.11Å; R336-E366 PolarHBondContact NH1-OE1 3.48Å; R336-E366 IonicContact NH1-OE2 3.86Å; R336-E366 PolarHBondContact NH1-OE2 3.05Å; R336-E366 IonicContact NH2-OE2 3.14Å; F340-E366 HydrophobicContact CE2-CG 4.29Å; F340-E366 HydrophobicContact CZ-CG 4.34Å; A360-E366 VanDerWaalsContact O-O 3.06Å; T363-E366 HydrophobicContact CG2-CG 3.53Å; T363-E366 PolarHBondContact O-N 2.73Å; P364-E366 PolarHBondContact O-N 3.44Å
367	R	95.6	Very high	95.1	Very high	159 Å²	159	51.1 Å²	51.1	60%	0.6	27%	0.265	S	S	*	.			trans	-141.3	150.4	173.2	-59.4	-175.7	-179.7	-175.5	1.1	109.7	L228	L228-R367 WeakPolarHBondContact CB-O 3.49Å; L228-R367 PolarHBondContact N-O 3.46Å
368	A	96.6	Very high	95.1	Very high	14 Å²	14	52.8 Å²	52.8	12%	0.116	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	140.4	176.2	0	0	0	0	0	110	Y229 A319 A360	Y229-A368 HydrophobicContact CD1-CB 4.11Å; Y229-A368 HydrophobicContact CD2-CB 4.01Å; Y229-A368 HydrophobicContact CE1-CB 3.56Å; Y229-A368 HydrophobicContact CE2-CB 3.46Å; Y229-A368 VanDerWaalsContact CE2-CB 3.46Å; Y229-A368 HydrophobicContact CG-CB 4.32Å; Y229-A368 WeakPolarHBondContact OH-CB 3.5Å; A319-A368 HydrophobicContact CB-CB 3.68Å; A319-A368 PolarHBondContact N-O 3.21Å; A360-A368 HydrophobicContact CB-CB 3.6Å
369	H	96.4	Very high	95.1	Very high	29 Å²	29	47.8 Å²	47.8	13%	0.134	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	159.8	-178	-60.1	93.4	0	0	0	111.5	F223 T227 Y229 I230 K231 V316 S317	F223-H369 AromaticContact CD2-CE1 3.93Å; F223-H369 AromaticContact CD2-CG 3.96Å; F223-H369 AromaticContact CD2-ND1 3.73Å; F223-H369 HydrophobicContact CE2-CB 4.27Å; T227-H369 WeakPolarHBondContact CG2-ND1 3.25Å; T227-H369 PolarHBondContact OG1-CE1 3.05Å; T227-H369 PolarHBondContact OG1-ND1 3.27Å; Y229-H369 PolarHBondContact O-N 2.92Å; I230-H369 CarbonylContact C-O 3.49Å; I230-H369 VanDerWaalsContact CA-O 3.28Å; I230-H369 WeakPolarHBondContact CA-O 3.31Å; I230-H369 HydrophobicContact CG1-CB 4.46Å; K231-H369 PolarHBondContact N-O 3.24Å; V316-H369 HydrophobicContact CG1-CB 3.78Å; S317-H369 CarbonylContact O-C 3.58Å; S317-H369 WeakPolarHBondContact O-CA 3.21Å
370	S	95.4	Very high	94.9	Very high	4 Å²	4	45.5 Å²	45.5	3%	0.028	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	149.2	169.3	45.5	0	0	0	0	109.7	K231 V316 S317 P318	K231-S370 WeakPolarHBondContact O-CA 3.26Å; V316-S370 WeakPolarHBondContact CA-O 3.23Å; S317-S370 PolarHBondContact N-O 2.79Å; S317-S370 PolarHBondContact O-N 2.9Å; S317-S370 PolarHBondContact O-OG 2.89Å; S317-S370 PolarHBondContact OG-O 3.36Å; S317-S370 PolarHBondContact OG-OG 2.92Å; P318-S370 PolarHBondContact O-OG 2.92Å
371	V	95.7	Very high	94.7	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.012	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	136.4	179.6	175.6	0	0	0	0	109.4	L218 I230 K231 L232 Y314 A315 L375	L218-V371 HydrophobicContact CD1-CB 4.45Å; L218-V371 HydrophobicContact CD1-CG1 4.19Å; L218-V371 HydrophobicContact CD1-CG2 3.51Å; L218-V371 HydrophobicContact CD2-CG2 3.84Å; L218-V371 HydrophobicContact CG-CG2 4.34Å; I230-V371 HydrophobicContact CG2-CG2 3.43Å; I230-V371 VanDerWaalsContact CG2-CG2 3.43Å; K231-V371 PolarHBondContact O-N 3.14Å; L232-V371 HydrophobicContact CD2-CG2 4.43Å; Y314-V371 HydrophobicContact CD1-CG1 3.56Å; Y314-V371 HydrophobicContact CE1-CG1 4.33Å; Y314-V371 HydrophobicContact CG-CG1 4.4Å; A315-V371 WeakPolarHBondContact O-CA 3.42Å; V371-L375 HydrophobicContact CG1-CG 4.35Å
372	E	94.6	Very high	94.6	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.009	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	122.6	179.6	-68.8	179	147.3	0	0	110.3	R248 R300 L304 A315	R248-E372 IonicContact CZ-OE1 3.75Å; R248-E372 IonicContact NE-OE1 3.78Å; R248-E372 IonicContact NH2-OE1 3.44Å; R248-E372 PolarHBondContact NH2-OE1 3.43Å; R248-E372 VanDerWaalsContact NH2-OE1 3.11Å; R300-E372 IonicContact CZ-OE1 2.71Å; R300-E372 IonicContact CZ-OE2 3.6Å; R300-E372 IonicContact NH1-OE1 3.09Å; R300-E372 PolarHBondContact NH1-OE1 3.48Å; R300-E372 IonicContact NH1-OE2 3.75Å; R300-E372 PolarHBondContact NH1-OE2 3.41Å; R300-E372 IonicContact NH2-OE1 3.33Å; R300-E372 IonicContact NH2-OE2 2.9Å; R300-E372 PolarHBondContact NH2-OE2 3.46Å; L304-E372 HydrophobicContact CD1-CB 4.11Å; L304-E372 HydrophobicContact CD1-CG 4.49Å; A315-E372 PolarHBondContact N-O 3.42Å; A315-E372 PolarHBondContact O-N 3.06Å
373	P	95.4	Very high	94.2	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	22%	0.22	C	C	.	.	S	Bend	cis	-73.5	172.5	5.9	29.4	-35.5	0	0	0	114.4	L304 R307 R308 Y314	L304-P373 HydrophobicContact CB-CB 4.08Å; R307-P373 HydrophobicContact CB-CG 4.46Å; R308-P373 HydrophobicContact CG-CG 3.83Å; Y314-P373 HydrophobicContact CD1-CG 4.11Å; Y314-P373 VanDerWaalsContact CE1-CD 3.47Å; Y314-P373 HydrophobicContact CE1-CG 3.5Å; Y314-P373 VanDerWaalsContact CE1-CG 3.5Å; Y314-P373 WeakPolarHBondContact CE1-O 3.14Å
374	N	96.3	Very high	93.6	Very high	9 Å²	9	36.8 Å²	36.8	5%	0.048	22%	0.22	C	C	.	.			trans	-63.7	138.7	178.4	-67.2	-27	0	0	0	111	Y233 H234 Q239 R308 V376	Y233-N374 WeakPolarHBondContact CA-OD1 3.46Å; Y233-N374 HydrophobicContact CD2-CB 4.14Å; H234-N374 PolarHBondContact N-OD1 3.46Å; H234-N374 PolarHBondContact O-ND2 3.48Å; H234-N374 PolarHBondContact O-OD1 2.98Å; Q239-N374 PolarHBondContact NE2-OD1 2.93Å; R308-N374 VanDerWaalsContact CZ-O 3.31Å; R308-N374 PolarHBondContact NH1-O 2.88Å; R308-N374 PolarHBondContact NH2-O 3.38Å; N374-V376 WeakPolarHBondContact CB-O 3.48Å
375	L	97.2	Very high	92.9	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	19%	0.192	C	C	.	.	S	Bend	trans	-88.1	-11.6	175.1	-61.5	-173.8	0	0	0	113.5	G208 F211 V214 V215 L218 L232 Y314 V371	G208-L375 PolarHBondContact N-O 2.87Å; F211-L375 HydrophobicContact CD2-CB 3.78Å; F211-L375 HydrophobicContact CE2-CB 4.14Å; V214-L375 HydrophobicContact CB-CD1 4.07Å; V214-L375 HydrophobicContact CB-CD2 3.79Å; V214-L375 HydrophobicContact CG1-CD1 3.94Å; V214-L375 HydrophobicContact CG1-CD2 3.75Å; V214-L375 HydrophobicContact CG1-CG 4.44Å; V214-L375 HydrophobicContact CG2-CD2 4.06Å; V215-L375 HydrophobicContact CG2-CD1 4.02Å; L218-L375 HydrophobicContact CD1-CD1 4.23Å; L232-L375 HydrophobicContact CB-CB 4.32Å; L232-L375 HydrophobicContact CD2-CD1 4.09Å; L232-L375 PolarHBondContact O-N 2.67Å; Y314-L375 HydrophobicContact CD1-CD2 4.07Å; Y314-L375 HydrophobicContact CE1-CD2 3.31Å; Y314-L375 HydrophobicContact CE1-CG 4.42Å; V371-L375 HydrophobicContact CG1-CG 4.35Å
376	V	97.3	Very high	92.5	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.024	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	153.1	175.2	-54.2	0	0	0	0	110.2	L201 A205 L206 F211 Y233 A326 N374	L201-V376 HydrophobicContact CD2-CG1 4.33Å; A205-V376 HydrophobicContact CB-CB 4.37Å; A205-V376 HydrophobicContact CB-CG2 4.2Å; L206-V376 CarbonylContact O-C 3.11Å; L206-V376 WeakPolarHBondContact O-CA 3.45Å; L206-V376 WeakPolarHBondContact O-CB 3.36Å; F211-V376 HydrophobicContact CD2-CG1 4.17Å; F211-V376 HydrophobicContact CE2-CG1 3.73Å; Y233-V376 HydrophobicContact CD2-CG2 3.94Å; Y233-V376 WeakPolarHBondContact CD2-O 3.32Å; Y233-V376 HydrophobicContact CG-CG2 4.11Å; A326-V376 HydrophobicContact CB-CB 4.4Å; A326-V376 HydrophobicContact CB-CG1 3.83Å; A326-V376 HydrophobicContact CB-CG2 3.62Å; N374-V376 WeakPolarHBondContact CB-O 3.48Å
377	T	95.1	Very high	92	Very high	83 Å²	83	41 Å²	41	51%	0.509	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	127.5	167.2	-55.8	0	0	0	0	108.4	L206 I379	L206-T377 WeakPolarHBondContact CB-O 3.39Å; L206-T377 PolarHBondContact N-O 2.94Å; L206-T377 PolarHBondContact O-N 3.34Å; T377-I379 HydrophobicContact CG2-CG2 4.35Å; T377-I379 PolarHBondContact O-N 3.3Å
378	H	94.2	Very high	91.6	Very high	73 Å²	73	34.9 Å²	34.9	34%	0.338	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	110	174.3	-178.9	-94.7	0	0	0	109.7	D204 Y233 G380	D204-H378 CarbonylContact O-C 3.17Å; D204-H378 WeakPolarHBondContact O-CA 3.48Å; D204-H378 IonicContact OD1-CD2 3.87Å; D204-H378 IonicContact OD1-NE2 3.9Å; D204-H378 IonicContact OD2-NE2 2.87Å; Y233-H378 HydrophobicContact CE1-CB 4.34Å; Y233-H378 HydrophobicContact CE2-CB 3.93Å; H378-G380 PolarHBondContact CE1-O 3Å
379	I	94.6	Very high	91	Very high	23 Å²	23	37.6 Å²	37.6	12%	0.118	21%	0.214	C	C	.	.			trans	-97.4	-6.8	-175.3	59	167.8	0	0	0	113.4	Y110 Q113 D204 L206 T377 A381	Y110-I379 HydrophobicContact CD1-CB 4.45Å; Y110-I379 HydrophobicContact CD1-CD1 3.82Å; Y110-I379 HydrophobicContact CD1-CG1 3.85Å; Y110-I379 HydrophobicContact CE1-CG1 4.48Å; Y110-I379 WeakPolarHBondContact CE1-O 3.22Å; Q113-I379 HydrophobicContact CB-CD1 4.04Å; D204-I379 HydrophobicContact CB-CG1 4.25Å; D204-I379 VanDerWaalsContact O-CG1 3.31Å; D204-I379 WeakPolarHBondContact O-CG1 3.43Å; D204-I379 PolarHBondContact O-N 3.1Å; L206-I379 HydrophobicContact CB-CD1 4.15Å; L206-I379 HydrophobicContact CB-CG1 4.3Å; L206-I379 HydrophobicContact CB-CG2 3.86Å; L206-I379 HydrophobicContact CD2-CG2 4.03Å; T377-I379 HydrophobicContact CG2-CG2 4.35Å; T377-I379 PolarHBondContact O-N 3.3Å; I379-A381 PolarHBondContact O-N 3.47Å; I379-A381 VanDerWaalsContact O-N 3.14Å
380	G	91.7	Very high	90.4	Very high	15 Å²	15	41.9 Å²	41.9	16%	0.155	25%	0.248	C	C	.	.			trans	-72.5	102.3	-175.3	0	0	0	0	0	112.4	H378	H378-G380 PolarHBondContact CE1-O 3Å
381	A	91.4	Very high	89.9	Confident	35 Å²	35	50.4 Å²	50.4	29%	0.289	28%	0.279	S	S	.	.	S	Bend	trans	-86.1	-23	170.5	0	0	0	0	0	112.7	L59 Y110 I379 P392	L59-A381 HydrophobicContact CD2-CB 3.4Å; L59-A381 VanDerWaalsContact CD2-CB 3.4Å; Y110-A381 WeakPolarHBondContact OH-CB 3.27Å; Y110-A381 PolarHBondContact OH-N 3Å; I379-A381 PolarHBondContact O-N 3.47Å; I379-A381 VanDerWaalsContact O-N 3.14Å; A381-P392 HydrophobicContact CB-CB 4.09Å; A381-P392 HydrophobicContact CB-CG 3.93Å; A381-P392 VanDerWaalsContact O-CB 3.27Å; A381-P392 WeakPolarHBondContact O-CB 3.23Å
382	Y	90.6	Very high	89.6	Confident	36 Å²	36	50.7 Å²	50.7	14%	0.141	28%	0.281	C	S	.	.	S	Bend	trans	-115.6	122.2	177.3	-64.1	-89.6	0	0	0	109.8	L59 R102 E104 F108 N388 P392	L59-Y382 HydrophobicContact CD2-CE2 4.32Å; R102-Y382 PolarHBondContact NE-O 3.44Å; E104-Y382 HydrophobicContact CB-CD1 4.04Å; F108-Y382 HydrophobicContact CD2-CD2 4.12Å; F108-Y382 HydrophobicContact CD2-CE2 4.05Å; F108-Y382 AromaticContact CE2-CD2 3.95Å; F108-Y382 HydrophobicContact CE2-CD2 3.95Å; F108-Y382 AromaticContact CE2-CE2 3.41Å; F108-Y382 HydrophobicContact CE2-CE2 3.41Å; F108-Y382 VanDerWaalsContact CE2-CE2 3.41Å; F108-Y382 HydrophobicContact CZ-CD2 4.43Å; F108-Y382 AromaticContact CZ-CE2 3.72Å; F108-Y382 HydrophobicContact CZ-CE2 3.72Å; Y382-N388 WeakPolarHBondContact CA-OD1 3.42Å; Y382-N388 HydrophobicContact CD1-CB 3.9Å; Y382-P392 HydrophobicContact CD1-CG 4.46Å; Y382-P392 HydrophobicContact CD2-CG 4.32Å; Y382-P392 HydrophobicContact CE1-CG 3.93Å; Y382-P392 HydrophobicContact CE2-CG 3.76Å; Y382-P392 WeakPolarHBondContact OH-CD 3.21Å
383	S	86.8	Confident	89.2	Confident	39 Å²	39	55.5 Å²	55.5	27%	0.273	30%	0.302	S	S	.	.			trans	-73.7	136.4	173.3	-172.1	0	0	0	0	110.8	V385 R386 N388	S383-V385 PolarHBondContact OG-N 3.29Å; S383-V385 VanDerWaalsContact OG-N 3.17Å; S383-R386 PolarHBondContact OG-N 3.16Å; S383-N388 PolarHBondContact N-OD1 3.15Å; S383-N388 PolarHBondContact O-ND2 3.48Å
384	S	81.8	Confident	88.6	Confident	33 Å²	33	57.7 Å²	57.7	23%	0.231	31%	0.314	C	S	.	.	S	Bend	trans	-75.6	-15	167.8	48.7	0	0	0	0	113.4	T100	T100-S384 WeakPolarHBondContact CG2-OG 3.47Å
385	V	79.6	Confident	87.6	Confident	35 Å²	35	62.8 Å²	62.8	21%	0.212	34%	0.34	C	S	.	.	S	Bend	trans	-120.8	-25.2	-165.5	-174.1	0	0	0	0	112.8	T174 E178 S383	T174-V385 HydrophobicContact CG2-CB 4.43Å; T174-V385 HydrophobicContact CG2-CG1 2.97Å; E178-V385 HydrophobicContact CG-CG1 4.16Å; E178-V385 WeakPolarHBondContact OE1-CG1 3.49Å; S383-V385 PolarHBondContact OG-N 3.29Å; S383-V385 VanDerWaalsContact OG-N 3.17Å
386	R	82.8	Confident	87.1	Confident	138 Å²	138	65.9 Å²	65.9	52%	0.521	36%	0.357	S	S	.	.	S	Bend	trans	-114.4	154.1	-176.7	-58	-176	-178	-155	2.5	111.1	S383 N388	S383-R386 PolarHBondContact OG-N 3.16Å; R386-N388 PolarHBondContact O-N 3.24Å; R386-N388 PolarHBondContact O-ND2 3.17Å
387	P	83.1	Confident	86.6	Confident	127 Å²	127	69.1 Å²	69.1	83%	0.825	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-57.9	133.8	172.2	-21.6	32.6	0	0	0	110.6
388	N	86.5	Confident	86.1	Confident	29 Å²	29	68.3 Å²	68.3	16%	0.155	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-97	146.4	-179.3	-61.5	-73.1	0	0	0	111.5	E104 Y382 S383 R386	E104-N388 PolarHBondContact OE1-ND2 3.28Å; E104-N388 VanDerWaalsContact OE1-ND2 3.07Å; E104-N388 WeakPolarHBondContact OE2-CB 3.31Å; Y382-N388 WeakPolarHBondContact CA-OD1 3.42Å; Y382-N388 HydrophobicContact CD1-CB 3.9Å; S383-N388 PolarHBondContact N-OD1 3.15Å; S383-N388 PolarHBondContact O-ND2 3.48Å; R386-N388 PolarHBondContact O-N 3.24Å; R386-N388 PolarHBondContact O-ND2 3.17Å
389	P	85.4	Confident	85.6	Confident	72 Å²	72	68.1 Å²	68.1	47%	0.468	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-69	151.4	165.7	31.7	-34.9	0	0	0	109.9	R391 P392	P389-R391 PolarHBondContact O-N 3.08Å; P389-P392 HydrophobicContact CG-CB 4.05Å
390	S	83.6	Confident	85.1	Confident	119 Å²	119	70.9 Å²	70.9	83%	0.832	38%	0.384	S	S	*	.	S	Bend	trans	-59.2	-29.2	175.3	55.7	0	0	0	0	113.3
391	R	85.3	Confident	84.6	Confident	182 Å²	182	74.6 Å²	74.6	69%	0.687	40%	0.399	S	S	*	.	S	Bend	trans	-134	95.9	173.5	-67.9	-170.8	178.3	-171.4	-0.7	109.9	P389	P389-R391 PolarHBondContact O-N 3.08Å
392	P	87.8	Confident	84.2	Confident	9 Å²	9	77.4 Å²	77.4	6%	0.058	41%	0.407	C	S	.	.			trans	-65.4	150.6	177	26.3	-32.1	0	0	0	111.3	L59 A381 Y382 P389	L59-P392 HydrophobicContact CD1-CG 4.09Å; L59-P392 HydrophobicContact CD2-CG 4.03Å; A381-P392 HydrophobicContact CB-CB 4.09Å; A381-P392 HydrophobicContact CB-CG 3.93Å; A381-P392 VanDerWaalsContact O-CB 3.27Å; A381-P392 WeakPolarHBondContact O-CB 3.23Å; Y382-P392 HydrophobicContact CD1-CG 4.46Å; Y382-P392 HydrophobicContact CD2-CG 4.32Å; Y382-P392 HydrophobicContact CE1-CG 3.93Å; Y382-P392 HydrophobicContact CE2-CG 3.76Å; Y382-P392 WeakPolarHBondContact OH-CD 3.21Å; P389-P392 HydrophobicContact CG-CB 4.05Å
393	K	87.8	Confident	83.7	Confident	102 Å²	102	80.6 Å²	80.6	44%	0.443	43%	0.428	S	S	.	.			trans	-128.8	159.4	-178.7	-59.1	-169.9	-173.4	-168.4	0	110.3	L51 N52 S55 L395	L51-K393 HydrophobicContact CD2-CB 4.42Å; L51-K393 HydrophobicContact CD2-CD 3.88Å; L51-K393 HydrophobicContact CG-CB 4.47Å; L51-K393 HydrophobicContact CG-CD 4.24Å; N52-K393 VanDerWaalsContact OD1-CE 3.3Å; N52-K393 WeakPolarHBondContact OD1-CE 3.43Å; N52-K393 PolarHBondContact OD1-NZ 3.24Å; S55-K393 WeakPolarHBondContact OG-CA 3.22Å; K393-L395 PolarHBondContact O-N 3.29Å; K393-L395 VanDerWaalsContact O-N 3.1Å
394	L	82.2	Confident	83.4	Confident	48 Å²	48	84.1 Å²	84.1	25%	0.251	44%	0.44	S	S	.	.			trans	-70.2	1.7	-178.6	-64.4	167.6	0	0	0	115.4	L41 Y42 L51 M54 S55 V58	L41-L394 HydrophobicContact CD2-CB 3.76Å; L41-L394 HydrophobicContact CD2-CD1 4.26Å; Y42-L394 PolarHBondContact OH-O 3.46Å; L51-L394 HydrophobicContact CD1-CB 4.25Å; M54-L394 HydrophobicContact CB-CD1 4.24Å; M54-L394 HydrophobicContact CE-CD1 3.75Å; M54-L394 HydrophobicContact CG-CD1 3.69Å; M54-L394 HydrophobicContact SD-CD1 4.34Å; S55-L394 PolarHBondContact OG-N 3.42Å; V58-L394 HydrophobicContact CB-CD1 4.3Å; V58-L394 HydrophobicContact CB-CD2 3.96Å; V58-L394 HydrophobicContact CG1-CD2 3.8Å; V58-L394 HydrophobicContact CG2-CD1 3.82Å; V58-L394 HydrophobicContact CG2-CD2 4.03Å
395	L	75.1	Confident	83.6	Confident	115 Å²	115	88.7 Å²	88.7	60%	0.602	46%	0.459	S	S	*	.			trans	-112.3	0	-175.5	-71.7	-176.2	0	0	0	113.5	L41 Y42 F48 L51 K393	L41-L395 HydrophobicContact CD1-CD2 3.59Å; L41-L395 HydrophobicContact CD1-CG 4.19Å; Y42-L395 HydrophobicContact CD1-CD2 3.91Å; Y42-L395 HydrophobicContact CE1-CD2 3.38Å; F48-L395 HydrophobicContact CD2-CD1 4.4Å; F48-L395 HydrophobicContact CE2-CD1 4.13Å; L51-L395 HydrophobicContact CD1-CD1 3.98Å; L51-L395 HydrophobicContact CD1-CG 3.75Å; L51-L395 HydrophobicContact CD2-CB 4.46Å; L51-L395 HydrophobicContact CD2-CD1 3.58Å; L51-L395 HydrophobicContact CD2-CG 4.06Å; L51-L395 HydrophobicContact CG-CD1 4.39Å; K393-L395 PolarHBondContact O-N 3.29Å; K393-L395 VanDerWaalsContact O-N 3.1Å

Retrieved 395 of 395 residues in 374.9 ms (Link to these results)

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