A0A077Z4E2_TRITR Loading...

Neuroendocrine convertase 2

AlphaFold DB , UniProt , Accession A0A077Z4E2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 659 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	48	Very low	52	Low	221 Å²	221	133.5 Å²	133.5	100%	1.089	66%	0.661	S	S	*	*				0	-30.3	0	-103.5	174.3	154.9	0	0	115.5	S3	M1-S3 VanDerWaalsContact C-N 3.35Å; M1-S3 PolarHBondContact O-N 2.9Å
2	R	49.6	Very low	51.5	Low	232 Å²	232	128.9 Å²	128.9	88%	0.875	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-15.7	-179.3	-73.5	-174.6	177	-174.3	-0.8	116.3	T5	R2-T5 PolarHBondContact O-OG1 3.3Å
3	S	54.8	Low	50.9	Low	89 Å²	89	126.2 Å²	126.2	62%	0.622	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-30.9	-177.7	179.3	0	0	0	0	114	M1	M1-S3 VanDerWaalsContact C-N 3.35Å; M1-S3 PolarHBondContact O-N 2.9Å
4	L	52.4	Low	50.1	Low	118 Å²	118	127.2 Å²	127.2	62%	0.618	64%	0.636	S	S	*	*	H	α-helix	trans	-71.4	-31.3	179.6	-90	100.7	0	0	0	113.4	V6 Q7 L8	L4-V6 VanDerWaalsContact C-N 3.29Å; L4-V6 PolarHBondContact O-N 3.09Å; L4-Q7 PolarHBondContact O-N 3.44Å; L4-L8 PolarHBondContact O-N 3.3Å
5	T	54.8	Low	49.3	Very low	87 Å²	87	128.5 Å²	128.5	53%	0.534	64%	0.639	S	S	.	*	H	α-helix	trans	-66.3	-28.9	179.2	17.2	0	0	0	0	113.4	R2 L9	R2-T5 PolarHBondContact O-OG1 3.3Å; T5-L9 PolarHBondContact O-N 3.13Å
6	V	56.1	Low	48.4	Very low	84 Å²	84	132.8 Å²	132.8	51%	0.509	65%	0.648	S	S	.	*	H	α-helix	trans	-78.1	-34.9	179.4	-178	0	0	0	0	111.1	L4 L9 F10	L4-V6 VanDerWaalsContact C-N 3.29Å; L4-V6 PolarHBondContact O-N 3.09Å; V6-L9 PolarHBondContact O-N 2.9Å; V6-F10 HydrophobicContact CG1-CD2 4.22Å; V6-F10 HydrophobicContact CG1-CE2 4.38Å; V6-F10 PolarHBondContact O-N 3.16Å
7	Q	51.4	Low	47.6	Very low	121 Å²	121	136.1 Å²	136.1	57%	0.565	65%	0.653	S	S	*	*	H	α-helix	trans	-69.5	-38.2	176.3	-80	178	-27.3	0	0	112.5	L4 L9 F10 F11	L4-Q7 PolarHBondContact O-N 3.44Å; Q7-L9 VanDerWaalsContact C-N 3.34Å; Q7-L9 PolarHBondContact O-N 2.83Å; Q7-F10 PolarHBondContact O-N 3.27Å; Q7-F11 WeakPolarHBondContact O-CD2 3.18Å; Q7-F11 PolarHBondContact O-N 3.14Å
8	L	51.9	Low	46.9	Very low	113 Å²	113	135.9 Å²	135.9	59%	0.592	66%	0.656	S	S	*	*	H	α-helix	trans	-65.2	-34.3	176.2	-92.3	147.3	0	0	0	113.2	L4 C12	L4-L8 PolarHBondContact O-N 3.3Å; L8-C12 WeakPolarHBondContact O-CB 3.37Å; L8-C12 PolarHBondContact O-N 3.48Å; L8-C12 PolarHBondContact O-SG 2.96Å; L8-C12 VanDerWaalsContact O-SG 3.37Å
9	L	52.4	Low	46.3	Very low	115 Å²	115	135.1 Å²	135.1	60%	0.602	66%	0.66	S	S	*	*	H	α-helix	trans	-68.9	-36.4	173.5	-92.6	153.9	0	0	0	112.3	T5 V6 Q7 L13	T5-L9 PolarHBondContact O-N 3.13Å; V6-L9 PolarHBondContact O-N 2.9Å; Q7-L9 VanDerWaalsContact C-N 3.34Å; Q7-L9 PolarHBondContact O-N 2.83Å; L9-L13 WeakPolarHBondContact O-CB 3.49Å; L9-L13 WeakPolarHBondContact O-CD1 3.47Å; L9-L13 WeakPolarHBondContact O-CG 3.4Å; L9-L13 PolarHBondContact O-N 2.88Å; L9-L13 VanDerWaalsContact O-N 3.08Å
10	F	50.8	Low	45.6	Very low	140 Å²	140	133.4 Å²	133.4	61%	0.614	66%	0.661	S	S	*	*	H	α-helix	trans	-70.6	-38.9	174.9	-95.2	-84.5	0	0	0	112.6	V6 Q7 L13 F14	V6-F10 HydrophobicContact CG1-CD2 4.22Å; V6-F10 HydrophobicContact CG1-CE2 4.38Å; V6-F10 PolarHBondContact O-N 3.16Å; Q7-F10 PolarHBondContact O-N 3.27Å; F10-L13 PolarHBondContact O-N 2.91Å; F10-F14 WeakPolarHBondContact O-CB 3.5Å; F10-F14 PolarHBondContact O-N 3.29Å
11	F	49.7	Very low	45	Very low	148 Å²	148	133.6 Å²	133.6	65%	0.649	67%	0.674	S	S	*	*	H	α-helix	trans	-68.7	-39.4	175.6	-89.2	-82.2	0	0	0	112.5	Q7 L13 F14 E15	Q7-F11 WeakPolarHBondContact O-CD2 3.18Å; Q7-F11 PolarHBondContact O-N 3.14Å; F11-L13 VanDerWaalsContact C-N 3.31Å; F11-L13 PolarHBondContact O-N 2.83Å; F11-F14 PolarHBondContact O-N 2.8Å; F11-E15 PolarHBondContact O-N 2.93Å
12	C	45.9	Very low	44.6	Very low	79 Å²	79	131.3 Å²	131.3	53%	0.534	66%	0.658	S	S	.	*	H	α-helix	trans	-66.8	-31.2	174.1	-73.6	0	0	0	0	112.8	L8 Y16	L8-C12 WeakPolarHBondContact O-CB 3.37Å; L8-C12 PolarHBondContact O-N 3.48Å; L8-C12 PolarHBondContact O-SG 2.96Å; L8-C12 VanDerWaalsContact O-SG 3.37Å; C12-Y16 PolarHBondContact O-N 3.35Å
13	L	44.2	Very low	44.7	Very low	94 Å²	94	125.7 Å²	125.7	49%	0.492	65%	0.654	S	S	.	*	H	α-helix	trans	-74.5	-37.4	173.1	-77.8	164.3	0	0	0	111.6	L9 F10 F11 Y16 Y17	L9-L13 WeakPolarHBondContact O-CB 3.49Å; L9-L13 WeakPolarHBondContact O-CD1 3.47Å; L9-L13 WeakPolarHBondContact O-CG 3.4Å; L9-L13 PolarHBondContact O-N 2.88Å; L9-L13 VanDerWaalsContact O-N 3.08Å; F10-L13 PolarHBondContact O-N 2.91Å; F11-L13 VanDerWaalsContact C-N 3.31Å; F11-L13 PolarHBondContact O-N 2.83Å; L13-Y16 PolarHBondContact O-N 3.29Å; L13-Y17 WeakPolarHBondContact O-CD2 3.49Å; L13-Y17 PolarHBondContact O-N 3.03Å
14	F	39.9	Very low	45.1	Very low	140 Å²	140	125 Å²	125	61%	0.614	65%	0.654	S	S	*	*	H	α-helix	trans	-71.6	-35.8	-178.7	-142.8	-97.4	0	0	0	112.9	F10 F11 Y16 Y17 L18	F10-F14 WeakPolarHBondContact O-CB 3.5Å; F10-F14 PolarHBondContact O-N 3.29Å; F11-F14 PolarHBondContact O-N 2.8Å; F14-Y16 VanDerWaalsContact C-N 3.27Å; F14-Y16 PolarHBondContact O-N 3.17Å; F14-Y17 PolarHBondContact O-N 3.14Å; F14-L18 HydrophobicContact CD1-CD1 3.9Å; F14-L18 HydrophobicContact CE1-CD1 3.68Å; F14-L18 PolarHBondContact O-N 2.82Å
15	E	36.8	Very low	46.3	Very low	146 Å²	146	124.7 Å²	124.7	68%	0.682	65%	0.65	S	S	*	*	H	α-helix	trans	-67.8	-27.7	171.6	-75.2	-173.3	169.3	0	0	112.7	F11 Y17 T19	F11-E15 PolarHBondContact O-N 2.93Å; E15-Y17 VanDerWaalsContact C-N 3.33Å; E15-T19 PolarHBondContact O-OG1 2.89Å
16	Y	35.3	Very low	47.7	Very low	198 Å²	198	121.7 Å²	121.7	78%	0.776	63%	0.631	S	S	*	*	H	α-helix	trans	-74.3	-22.5	173.6	-132.9	-87	0	0	0	113.2	C12 L13 F14	C12-Y16 PolarHBondContact O-N 3.35Å; L13-Y16 PolarHBondContact O-N 3.29Å; F14-Y16 VanDerWaalsContact C-N 3.27Å; F14-Y16 PolarHBondContact O-N 3.17Å
17	Y	36	Very low	49	Very low	188 Å²	188	119.2 Å²	119.2	74%	0.737	61%	0.614	S	S	*	*	H	α-helix	trans	-88.7	-20.1	178.4	-83.3	-71.8	0	0	0	114.1	L13 F14 E15	L13-Y17 WeakPolarHBondContact O-CD2 3.49Å; L13-Y17 PolarHBondContact O-N 3.03Å; F14-Y17 PolarHBondContact O-N 3.14Å; E15-Y17 VanDerWaalsContact C-N 3.33Å
18	L	34.8	Very low	50.7	Low	133 Å²	133	113.5 Å²	113.5	70%	0.696	59%	0.587	S	S	*	*	S	Bend	trans	-90.4	0.6	-178.4	-104.8	92	0	0	0	116	F14	F14-L18 HydrophobicContact CD1-CD1 3.9Å; F14-L18 HydrophobicContact CE1-CD1 3.68Å; F14-L18 PolarHBondContact O-N 2.82Å
19	T	35.7	Very low	52.4	Low	120 Å²	120	108.5 Å²	108.5	74%	0.736	56%	0.561	S	S	*	*	S	Bend	trans	-120.6	52.5	177.8	45	0	0	0	0	113	E15	E15-T19 PolarHBondContact O-OG1 2.89Å
20	C	30.7	Very low	54.2	Low	101 Å²	101	103.3 Å²	103.3	68%	0.682	53%	0.534	S	S	*	.			trans	-156	56.3	165.2	-159.7	0	0	0	0	114.1
21	C	34.5	Very low	56.1	Low	139 Å²	139	96.6 Å²	96.6	94%	0.939	51%	0.505	S	S	*	.			trans	-101.1	31.8	157.6	-87.5	0	0	0	0	112.1	S23	C21-S23 PolarHBondContact O-N 2.93Å
22	K	38.4	Very low	58.1	Low	172 Å²	172	90.8 Å²	90.8	75%	0.748	48%	0.479	S	S	*	.	S	Bend	trans	-65.1	124.7	155.4	-71.2	-173.2	178.2	-177.5	0	106.4	A24	K22-A24 PolarHBondContact O-N 2.04Å; K22-A24 VanDerWaalsContact O-N 3.13Å
23	S	52.4	Low	60.3	Low	114 Å²	114	87 Å²	87	80%	0.797	45%	0.454	S	S	*	.			trans	-35.4	122.7	169.3	171.8	0	0	0	0	109.6	C21 Q25	C21-S23 PolarHBondContact O-N 2.93Å; S23-Q25 PolarHBondContact O-N 3.18Å
24	A	64.1	Low	62.6	Low	75 Å²	75	84 Å²	84	62%	0.62	44%	0.437	S	S	*	.			trans	-59.1	104.5	-169.5	0	0	0	0	0	109.8	K22 V26	K22-A24 PolarHBondContact O-N 2.04Å; K22-A24 VanDerWaalsContact O-N 3.13Å; A24-V26 PolarHBondContact O-N 3.44Å
25	Q	77	Confident	65.1	Low	112 Å²	112	77.5 Å²	77.5	52%	0.523	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-58.3	130	-178.9	-70.6	-178.2	-10.5	0	0	110.2	S23 F27 V100	S23-Q25 PolarHBondContact O-N 3.18Å; Q25-F27 HydrophobicContact CB-CE2 4.23Å; Q25-F27 HydrophobicContact CB-CZ 4.4Å; Q25-V100 HydrophobicContact CB-CG1 4.21Å; Q25-V100 HydrophobicContact CG-CG1 4.49Å
26	V	82.9	Confident	67.6	Low	24 Å²	24	76.8 Å²	76.8	15%	0.145	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	116.1	176.1	-176.7	0	0	0	0	108.9	A24 A75 R76 V100 G101 Y255	A24-V26 PolarHBondContact O-N 3.44Å; V26-A75 HydrophobicContact CG1-CB 3.74Å; V26-R76 CarbonylContact C-O 3.6Å; V26-V100 CarbonylContact O-C 3.6Å; V26-V100 VanDerWaalsContact O-CA 3.3Å; V26-V100 WeakPolarHBondContact O-CA 3.28Å; V26-V100 WeakPolarHBondContact O-CG1 3.4Å; V26-G101 PolarHBondContact O-N 3.13Å; V26-Y255 HydrophobicContact CB-CD1 4.18Å; V26-Y255 HydrophobicContact CB-CD2 4.4Å; V26-Y255 HydrophobicContact CB-CE1 3.91Å; V26-Y255 HydrophobicContact CB-CE2 4.23Å; V26-Y255 HydrophobicContact CB-CG 4.42Å; V26-Y255 HydrophobicContact CG1-CD1 4.33Å; V26-Y255 HydrophobicContact CG1-CD2 3.68Å; V26-Y255 HydrophobicContact CG1-CE1 4.13Å; V26-Y255 HydrophobicContact CG1-CE2 3.52Å; V26-Y255 HydrophobicContact CG1-CG 4.14Å; V26-Y255 HydrophobicContact CG2-CD1 4.44Å; V26-Y255 HydrophobicContact CG2-CE1 3.69Å; V26-Y255 HydrophobicContact CG2-CE2 4.31Å
27	F	85	Confident	69.8	Low	32 Å²	32	75.2 Å²	75.2	14%	0.14	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	136.1	173.7	-62.7	-86.7	0	0	0	109.9	Q25 A75 R76 R79 Q98 V100	Q25-F27 HydrophobicContact CB-CE2 4.23Å; Q25-F27 HydrophobicContact CB-CZ 4.4Å; F27-A75 CarbonylContact O-C 3.58Å; F27-R76 PolarHBondContact N-O 2.95Å; F27-R76 PolarHBondContact O-N 3.19Å; F27-R79 HydrophobicContact CD1-CB 4.09Å; F27-R79 HydrophobicContact CD1-CG 4.3Å; F27-R79 HydrophobicContact CE1-CB 4Å; F27-R79 HydrophobicContact CE1-CG 4.33Å; F27-R79 HydrophobicContact CE2-CB 4.47Å; F27-R79 HydrophobicContact CG-CB 4.37Å; F27-R79 HydrophobicContact CZ-CB 4.2Å; F27-Q98 HydrophobicContact CB-CG 4.46Å; F27-Q98 HydrophobicContact CD1-CG 4.45Å; F27-V100 HydrophobicContact CD1-CG2 4.18Å; F27-V100 HydrophobicContact CE1-CG2 4.02Å
28	T	86.4	Confident	71.5	Confident	1 Å²	1	67.9 Å²	67.9	1%	0.006	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	177.6	179.2	67.3	0	0	0	0	111.6	S30 K74 Q98 M99 T257	T28-S30 PolarHBondContact O-N 2.76Å; T28-S30 PolarHBondContact OG1-N 2.8Å; T28-K74 WeakPolarHBondContact CA-O 3.27Å; T28-Q98 PolarHBondContact O-NE2 3.2Å; T28-M99 PolarHBondContact N-O 2.83Å; T28-M99 PolarHBondContact OG1-O 2.84Å; T28-T257 HydrophobicContact CG2-CG2 3.74Å
29	N	88.6	Confident	73.7	Confident	8 Å²	8	65.9 Å²	65.9	4%	0.043	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	4.7	173.2	71.2	-25.8	0	0	0	114.1	F31 I68 H69 V72	N29-F31 WeakPolarHBondContact O-CD2 3.04Å; N29-I68 WeakPolarHBondContact ND2-CG2 3.24Å; N29-I68 WeakPolarHBondContact O-CA 3.43Å; N29-H69 PolarHBondContact O-N 3Å; N29-V72 HydrophobicContact CB-CB 3.81Å; N29-V72 HydrophobicContact CB-CG1 3.9Å; N29-V72 WeakPolarHBondContact CB-O 3.46Å
30	S	89.3	Confident	76.1	Confident	5 Å²	5	67.2 Å²	67.2	4%	0.035	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	138.5	178	-70.2	0	0	0	0	111.9	T28 H66 F67 M99	T28-S30 PolarHBondContact O-N 2.76Å; T28-S30 PolarHBondContact OG1-N 2.8Å; S30-H66 VanDerWaalsContact CB-NE2 3.26Å; S30-H66 WeakPolarHBondContact CB-NE2 3.08Å; S30-H66 PolarHBondContact OG-NE2 3.17Å; S30-F67 CarbonylContact C-O 3.5Å; S30-M99 WeakPolarHBondContact O-CB 3.07Å; S30-M99 PolarHBondContact O-N 2.91Å
31	F	91.4	Very high	78.8	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	125.5	-178.7	-67.9	-104.5	0	0	0	109.6	N29 V33 F52 F67 H69 V72 H83 L87 V96 V97 Q98	N29-F31 WeakPolarHBondContact O-CD2 3.04Å; F31-V33 HydrophobicContact CB-CG2 4.33Å; F31-F52 HydrophobicContact CB-CE1 4.41Å; F31-F52 HydrophobicContact CD2-CD1 4.35Å; F31-F52 AromaticContact CD2-CE1 3.56Å; F31-F52 HydrophobicContact CD2-CE1 3.56Å; F31-F52 HydrophobicContact CD2-CZ 4.5Å; F31-F52 AromaticContact CE2-CE1 3.84Å; F31-F52 HydrophobicContact CE2-CE1 3.84Å; F31-F52 AromaticContact CG-CE1 3.93Å; F31-F52 HydrophobicContact CG-CE1 3.93Å; F31-F52 HydrophobicContact CZ-CE1 4.43Å; F31-F67 HydrophobicContact CB-CB 4.43Å; F31-F67 PolarHBondContact N-O 2.93Å; F31-F67 PolarHBondContact O-N 3.33Å; F31-H69 HydrophobicContact CE2-CB 4.42Å; F31-V72 HydrophobicContact CE2-CG2 4.46Å; F31-H83 HydrophobicContact CE1-CB 4.19Å; F31-H83 HydrophobicContact CZ-CB 3.86Å; F31-L87 HydrophobicContact CB-CD1 4.37Å; F31-L87 HydrophobicContact CD1-CD1 4.39Å; F31-L87 HydrophobicContact CG-CD1 4.49Å; F31-V96 HydrophobicContact CD1-CG1 4Å; F31-V97 CarbonylContact C-O 3.44Å; F31-V97 WeakPolarHBondContact CA-O 3.33Å; F31-Q98 HydrophobicContact CD1-CB 3.9Å; F31-Q98 HydrophobicContact CD1-CG 4.13Å; F31-Q98 HydrophobicContact CE1-CB 3.71Å; F31-Q98 HydrophobicContact CE1-CG 3.73Å; F31-Q98 HydrophobicContact CE2-CG 4.21Å; F31-Q98 HydrophobicContact CZ-CB 4.28Å; F31-Q98 HydrophobicContact CZ-CG 3.77Å
32	H	91.6	Very high	81.5	Confident	26 Å²	26	64.3 Å²	64.3	12%	0.12	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	116.4	169.5	-177	-157.9	0	0	0	109	H34 E64 V96 V97 M99 L259	H32-H34 AromaticContact CD2-CE1 3.94Å; H32-H34 AromaticContact CE1-CE1 3.11Å; H32-H34 PolarHBondContact CE1-CE1 2.81Å; H32-H34 AromaticContact CE1-NE2 3.44Å; H32-H34 PolarHBondContact CE1-NE2 3.38Å; H32-H34 AromaticContact CG-CE1 3.81Å; H32-H34 AromaticContact ND1-CE1 3.28Å; H32-H34 PolarHBondContact ND1-CE1 2.84Å; H32-H34 VanDerWaalsContact ND1-CE1 3.28Å; H32-H34 AromaticContact NE2-CE1 3.51Å; H32-H34 AromaticContact NE2-NE2 3.84Å; H32-E64 IonicContact CE1-OE2 3.15Å; H32-E64 PolarHBondContact CE1-OE2 3.48Å; H32-E64 IonicContact NE2-OE2 3.44Å; H32-E64 PolarHBondContact NE2-OE2 2.84Å; H32-V96 CarbonylContact O-C 3.56Å; H32-V96 WeakPolarHBondContact O-CA 3.46Å; H32-V97 HydrophobicContact CB-CB 4.33Å; H32-V97 PolarHBondContact N-O 3.12Å; H32-V97 PolarHBondContact O-N 3.13Å; H32-M99 HydrophobicContact CB-SD 3.68Å; H32-L259 HydrophobicContact CB-CD1 3.93Å
33	V	92.2	Very high	84	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	124.4	-174.5	-177.3	0	0	0	0	108.9	F31 L35 E64 W65 F67 L87 V93 V96	F31-V33 HydrophobicContact CB-CG2 4.33Å; V33-L35 HydrophobicContact CG1-CD2 4.14Å; V33-E64 WeakPolarHBondContact O-CA 3.49Å; V33-W65 PolarHBondContact N-O 2.98Å; V33-W65 PolarHBondContact O-N 3.29Å; V33-F67 HydrophobicContact CB-CD2 4.23Å; V33-F67 HydrophobicContact CB-CE2 4.21Å; V33-F67 HydrophobicContact CG1-CE2 4.09Å; V33-F67 HydrophobicContact CG1-CZ 4.47Å; V33-F67 HydrophobicContact CG2-CB 4.21Å; V33-F67 HydrophobicContact CG2-CD2 3.58Å; V33-F67 HydrophobicContact CG2-CE2 4.01Å; V33-F67 HydrophobicContact CG2-CG 3.91Å; V33-L87 HydrophobicContact CG2-CD1 3.84Å; V33-V93 HydrophobicContact CG1-CG1 3.94Å; V33-V93 HydrophobicContact CG1-CG2 4Å; V33-V96 HydrophobicContact CG1-CG2 4.43Å; V33-V96 HydrophobicContact CG2-CG1 4.45Å; V33-V96 HydrophobicContact CG2-CG2 4.49Å
34	H	92.5	Very high	85.9	Confident	29 Å²	29	55.4 Å²	55.4	13%	0.134	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	125	173.9	-54.9	59.4	0	0	0	107.8	H32 T63 E64 S94 K95	H32-H34 AromaticContact CD2-CE1 3.94Å; H32-H34 AromaticContact CE1-CE1 3.11Å; H32-H34 PolarHBondContact CE1-CE1 2.81Å; H32-H34 AromaticContact CE1-NE2 3.44Å; H32-H34 PolarHBondContact CE1-NE2 3.38Å; H32-H34 AromaticContact CG-CE1 3.81Å; H32-H34 AromaticContact ND1-CE1 3.28Å; H32-H34 PolarHBondContact ND1-CE1 2.84Å; H32-H34 VanDerWaalsContact ND1-CE1 3.28Å; H32-H34 AromaticContact NE2-CE1 3.51Å; H32-H34 AromaticContact NE2-NE2 3.84Å; H34-T63 WeakPolarHBondContact CA-O 3.49Å; H34-E64 IonicContact CD2-OE1 3.82Å; H34-E64 IonicContact NE2-OE1 3.82Å; H34-S94 VanDerWaalsContact CB-OG 3.28Å; H34-S94 WeakPolarHBondContact CB-OG 3.43Å; H34-S94 PolarHBondContact O-N 3.38Å; H34-S94 PolarHBondContact O-OG 2.91Å; H34-S94 VanDerWaalsContact O-OG 3.1Å; H34-K95 HydrophobicContact CB-CB 4.03Å; H34-K95 PolarHBondContact N-O 3.37Å; H34-K95 PolarHBondContact O-N 3.49Å
35	L	91.6	Very high	87.3	Confident	4 Å²	4	58.7 Å²	58.7	2%	0.021	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	147.6	170.1	-57.7	-175.1	0	0	0	109	V33 A43 I46 T63 A92 V93	V33-L35 HydrophobicContact CG1-CD2 4.14Å; L35-A43 HydrophobicContact CD1-CB 3.91Å; L35-I46 HydrophobicContact CD1-CD1 4.5Å; L35-I46 HydrophobicContact CD2-CD1 3.78Å; L35-T63 PolarHBondContact N-O 2.86Å; L35-T63 WeakPolarHBondContact O-CB 3.18Å; L35-A92 CarbonylContact C-O 3.18Å; L35-A92 WeakPolarHBondContact CA-O 3.28Å; L35-V93 HydrophobicContact CD2-CG2 3.75Å
36	K	88.8	Confident	88	Confident	131 Å²	131	53.3 Å²	53.3	57%	0.57	25%	0.253	S	S	*	.	S	Bend	trans	-68.3	-44	174.4	-68.3	175	-174.6	164.3	0	110.2	A91 A92	K36-A91 WeakPolarHBondContact CD-O 3.35Å; K36-A91 WeakPolarHBondContact CE-O 3.01Å; K36-A91 PolarHBondContact NZ-O 3.21Å; K36-A92 PolarHBondContact N-O 2.71Å
37	Q	82.9	Confident	88.5	Confident	166 Å²	166	52.2 Å²	52.2	78%	0.776	25%	0.246	S	C	*	.	S	Bend	trans	-156.4	148.4	176.9	-62.9	178.8	-9	0	0	106.3
38	G	70.3	Confident	88.9	Confident	34 Å²	34	58.1 Å²	58.1	35%	0.351	27%	0.271	S	S	.	.			trans	150	153.6	177.1	0	0	0	0	0	112.6
39	D	82.1	Confident	89.2	Confident	90 Å²	90	64.7 Å²	64.7	48%	0.481	30%	0.296	S	S	.	.			trans	-99.6	-172.2	176.1	63	16	0	0	0	111.4	E41 E42 A43	D39-E41 PolarHBondContact O-N 3.31Å; D39-E41 WeakPolarHBondContact OD1-CB 3.23Å; D39-E41 PolarHBondContact OD1-N 3.17Å; D39-E42 PolarHBondContact O-N 3.44Å; D39-E42 PolarHBondContact OD1-N 3.47Å; D39-A43 PolarHBondContact O-N 3.42Å; D39-A43 VanDerWaalsContact O-N 3.12Å
40	K	85.5	Confident	89.4	Confident	149 Å²	149	65.7 Å²	65.7	65%	0.648	30%	0.3	S	S	*	.	H	α-helix	trans	-58.4	-34.6	177.2	-171.9	176.6	178.4	179.4	0	113.5	H44 W65	K40-H44 WeakPolarHBondContact O-CB 3.07Å; K40-H44 PolarHBondContact O-N 3.12Å; K40-W65 HydrophobicContact CB-CH2 3.62Å; K40-W65 HydrophobicContact CB-CZ3 4.13Å; K40-W65 HydrophobicContact CG-CH2 4Å; K40-W65 HydrophobicContact CG-CZ3 3.98Å
41	E	88.4	Confident	89.4	Confident	141 Å²	141	67.4 Å²	67.4	66%	0.659	32%	0.319	S	S	*	.	H	α-helix	trans	-71.7	-43.4	-178.3	-61.6	-169.6	173	0	0	110.7	D39 H44 R45	D39-E41 PolarHBondContact O-N 3.31Å; D39-E41 WeakPolarHBondContact OD1-CB 3.23Å; D39-E41 PolarHBondContact OD1-N 3.17Å; E41-H44 PolarHBondContact O-N 2.91Å; E41-R45 WeakPolarHBondContact O-CG 3.49Å; E41-R45 PolarHBondContact O-N 3.07Å
42	E	90.4	Very high	89.5	Confident	37 Å²	37	67.8 Å²	67.8	17%	0.173	32%	0.321	C	S	.	.	H	α-helix	trans	-61.4	-46.9	175.3	-176.7	57.7	-164.8	0	0	111.7	D39 H44 R45 I46	D39-E42 PolarHBondContact O-N 3.44Å; D39-E42 PolarHBondContact OD1-N 3.47Å; E42-H44 VanDerWaalsContact C-N 3.31Å; E42-H44 PolarHBondContact O-N 3.34Å; E42-R45 PolarHBondContact O-N 2.86Å; E42-R45 IonicContact OE2-CZ 2.93Å; E42-R45 IonicContact OE2-NE 3.91Å; E42-R45 PolarHBondContact OE2-NE 2.85Å; E42-R45 IonicContact OE2-NH2 3.05Å; E42-R45 PolarHBondContact OE2-NH2 3.39Å; E42-I46 HydrophobicContact CG-CD1 3.95Å; E42-I46 WeakPolarHBondContact O-CG1 3.25Å; E42-I46 PolarHBondContact O-N 2.93Å
43	A	91.4	Very high	89.4	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-57.9	-43.8	176.3	0	0	0	0	0	112	L35 D39 I46 A47 W65 F67	L35-A43 HydrophobicContact CD1-CB 3.91Å; D39-A43 PolarHBondContact O-N 3.42Å; D39-A43 VanDerWaalsContact O-N 3.12Å; A43-I46 PolarHBondContact O-N 3.34Å; A43-A47 WeakPolarHBondContact O-CB 3.36Å; A43-A47 PolarHBondContact O-N 2.53Å; A43-W65 HydrophobicContact CB-CD2 3.29Å; A43-W65 VanDerWaalsContact CB-CE2 3.49Å; A43-W65 HydrophobicContact CB-CE3 3.59Å; A43-W65 HydrophobicContact CB-CG 3.71Å; A43-W65 HydrophobicContact CB-CH2 4.29Å; A43-W65 HydrophobicContact CB-CZ2 3.99Å; A43-W65 HydrophobicContact CB-CZ3 4.08Å; A43-F67 HydrophobicContact CB-CE1 4.23Å; A43-F67 HydrophobicContact CB-CZ 4.26Å; A43-F67 WeakPolarHBondContact O-CZ 3.41Å
44	H	92.2	Very high	89.2	Confident	99 Å²	99	72 Å²	72	46%	0.458	34%	0.343	S	S	.	.	H	α-helix	trans	-65	-41.4	177.4	-172.3	79.3	0	0	0	112.5	K40 E41 E42 A47 K48	K40-H44 WeakPolarHBondContact O-CB 3.07Å; K40-H44 PolarHBondContact O-N 3.12Å; E41-H44 PolarHBondContact O-N 2.91Å; E42-H44 VanDerWaalsContact C-N 3.31Å; E42-H44 PolarHBondContact O-N 3.34Å; H44-A47 PolarHBondContact O-N 2.71Å; H44-K48 WeakPolarHBondContact O-CB 3.29Å; H44-K48 PolarHBondContact O-N 2.84Å
45	R	92.5	Very high	88.8	Confident	144 Å²	144	71.4 Å²	71.4	54%	0.543	34%	0.343	S	S	.	.	H	α-helix	trans	-62.3	-44.9	176.6	-74.2	-169.7	-61.7	175.2	-7.6	111.9	E41 E42 R49	E41-R45 WeakPolarHBondContact O-CG 3.49Å; E41-R45 PolarHBondContact O-N 3.07Å; E42-R45 PolarHBondContact O-N 2.86Å; E42-R45 IonicContact OE2-CZ 2.93Å; E42-R45 IonicContact OE2-NE 3.91Å; E42-R45 PolarHBondContact OE2-NE 2.85Å; E42-R45 IonicContact OE2-NH2 3.05Å; E42-R45 PolarHBondContact OE2-NH2 3.39Å; R45-R49 WeakPolarHBondContact O-CB 3.41Å; R45-R49 PolarHBondContact O-N 2.85Å
46	I	93.4	Very high	88.5	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-62.8	-48.5	177.3	-67.2	168.6	0	0	0	110.4	L35 E42 A43 K48 R49 H50 F67 L87 E90 A92 V93	L35-I46 HydrophobicContact CD1-CD1 4.5Å; L35-I46 HydrophobicContact CD2-CD1 3.78Å; E42-I46 HydrophobicContact CG-CD1 3.95Å; E42-I46 WeakPolarHBondContact O-CG1 3.25Å; E42-I46 PolarHBondContact O-N 2.93Å; A43-I46 PolarHBondContact O-N 3.34Å; I46-K48 PolarHBondContact O-N 2.97Å; I46-R49 PolarHBondContact O-N 2.87Å; I46-H50 PolarHBondContact O-CD2 2.88Å; I46-H50 PolarHBondContact O-N 3.43Å; I46-F67 HydrophobicContact CB-CE2 4.48Å; I46-F67 HydrophobicContact CG2-CE2 4.01Å; I46-L87 HydrophobicContact CG2-CD2 4.25Å; I46-E90 HydrophobicContact CG2-CG 4.03Å; I46-A92 HydrophobicContact CD1-CB 3.92Å; I46-V93 HydrophobicContact CD1-CG2 4.45Å; I46-V93 HydrophobicContact CG2-CG2 4.38Å
47	A	92.5	Very high	88.3	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-56	-53.7	179.4	0	0	0	0	0	110.8	A43 H44 R49 H50 G51 F52 N54 F67	A43-A47 WeakPolarHBondContact O-CB 3.36Å; A43-A47 PolarHBondContact O-N 2.53Å; H44-A47 PolarHBondContact O-N 2.71Å; A47-R49 VanDerWaalsContact C-N 3.34Å; A47-R49 PolarHBondContact O-N 2.93Å; A47-H50 PolarHBondContact O-N 2.66Å; A47-H50 VanDerWaalsContact O-N 3.16Å; A47-G51 PolarHBondContact O-N 2.89Å; A47-F52 CarbonylContact C-O 3.59Å; A47-F52 HydrophobicContact CB-CB 3.95Å; A47-F52 WeakPolarHBondContact O-CA 3.36Å; A47-F52 WeakPolarHBondContact O-CB 3.41Å; A47-F52 PolarHBondContact O-N 2.86Å; A47-N54 HydrophobicContact CB-CB 3.92Å; A47-F67 HydrophobicContact CB-CD1 4.09Å; A47-F67 HydrophobicContact CB-CD2 4Å; A47-F67 HydrophobicContact CB-CE1 3.97Å; A47-F67 HydrophobicContact CB-CE2 3.89Å; A47-F67 HydrophobicContact CB-CG 4.14Å; A47-F67 HydrophobicContact CB-CZ 3.89Å
48	K	93.1	Very high	88.2	Confident	157 Å²	157	61 Å²	61	68%	0.683	31%	0.306	S	S	*	.	H	α-helix	trans	-59.5	-41.4	-178.9	-172.2	176.1	-177	176.4	0	112.6	H44 I46 H50 G51 F52	H44-K48 WeakPolarHBondContact O-CB 3.29Å; H44-K48 PolarHBondContact O-N 2.84Å; I46-K48 PolarHBondContact O-N 2.97Å; K48-H50 PolarHBondContact O-N 3.22Å; K48-G51 PolarHBondContact O-N 2.88Å; K48-F52 PolarHBondContact N-O 2.88Å
49	R	92.2	Very high	88.2	Confident	139 Å²	139	62.9 Å²	62.9	53%	0.525	31%	0.307	S	S	.	.	H	α-helix	trans	-59.2	-35.1	179.4	-171.6	-174.9	-58.6	146	4.2	112.6	R45 I46 A47 E90	R45-R49 WeakPolarHBondContact O-CB 3.41Å; R45-R49 PolarHBondContact O-N 2.85Å; I46-R49 PolarHBondContact O-N 2.87Å; A47-R49 VanDerWaalsContact C-N 3.34Å; A47-R49 PolarHBondContact O-N 2.93Å; R49-E90 WeakPolarHBondContact CD-OE1 3.22Å; R49-E90 IonicContact CZ-OE1 3.86Å; R49-E90 IonicContact NE-OE1 2.84Å; R49-E90 IonicContact NH1-OE1 3.51Å; R49-E90 PolarHBondContact NH1-OE1 2.91Å; R49-E90 IonicContact NH1-OE2 2.79Å; R49-E90 PolarHBondContact NH1-OE2 2.88Å
50	H	92.7	Very high	87.5	Confident	29 Å²	29	61.4 Å²	61.4	13%	0.134	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	10.4	-178.3	-68.5	-72.9	0	0	0	114	I46 A47 K48 F52 L87 E90	I46-H50 PolarHBondContact O-CD2 2.88Å; I46-H50 PolarHBondContact O-N 3.43Å; A47-H50 PolarHBondContact O-N 2.66Å; A47-H50 VanDerWaalsContact O-N 3.16Å; K48-H50 PolarHBondContact O-N 3.22Å; H50-F52 HydrophobicContact CB-CD2 3.63Å; H50-F52 HydrophobicContact CB-CE2 3.76Å; H50-F52 WeakPolarHBondContact O-CD2 3.47Å; H50-L87 HydrophobicContact CB-CD2 4.36Å; H50-E90 IonicContact CD2-OE1 3.85Å; H50-E90 IonicContact CE1-OE1 3.49Å; H50-E90 WeakPolarHBondContact NE2-CG 3.49Å; H50-E90 IonicContact NE2-OE1 3.4Å; H50-E90 PolarHBondContact NE2-OE1 3.48Å
51	G	90.8	Very high	87.1	Confident	41 Å²	41	55.5 Å²	55.5	42%	0.423	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	14.2	179	0	0	0	0	0	114.9	A47 K48 P70	A47-G51 PolarHBondContact O-N 2.89Å; K48-G51 PolarHBondContact O-N 2.88Å; G51-P70 WeakPolarHBondContact O-CD 3.35Å
52	F	92.9	Very high	86.8	Confident	8 Å²	8	55.7 Å²	55.7	4%	0.035	30%	0.297	C	S	.	.			trans	-93	154.5	175.4	-64.5	-103.5	0	0	0	111.8	F31 A47 K48 H50 F67 I68 H69 H83 L87	F31-F52 HydrophobicContact CB-CE1 4.41Å; F31-F52 HydrophobicContact CD2-CD1 4.35Å; F31-F52 AromaticContact CD2-CE1 3.56Å; F31-F52 HydrophobicContact CD2-CE1 3.56Å; F31-F52 HydrophobicContact CD2-CZ 4.5Å; F31-F52 AromaticContact CE2-CE1 3.84Å; F31-F52 HydrophobicContact CE2-CE1 3.84Å; F31-F52 AromaticContact CG-CE1 3.93Å; F31-F52 HydrophobicContact CG-CE1 3.93Å; F31-F52 HydrophobicContact CZ-CE1 4.43Å; A47-F52 CarbonylContact C-O 3.59Å; A47-F52 HydrophobicContact CB-CB 3.95Å; A47-F52 WeakPolarHBondContact O-CA 3.36Å; A47-F52 WeakPolarHBondContact O-CB 3.41Å; A47-F52 PolarHBondContact O-N 2.86Å; K48-F52 PolarHBondContact N-O 2.88Å; H50-F52 HydrophobicContact CB-CD2 3.63Å; H50-F52 HydrophobicContact CB-CE2 3.76Å; H50-F52 WeakPolarHBondContact O-CD2 3.47Å; F52-F67 HydrophobicContact CB-CB 4.12Å; F52-F67 HydrophobicContact CB-CD2 4.39Å; F52-F67 HydrophobicContact CB-CG 4.45Å; F52-F67 HydrophobicContact CD1-CB 3.81Å; F52-F67 HydrophobicContact CG-CB 4.22Å; F52-F67 HydrophobicContact CG-CD2 4.48Å; F52-I68 CarbonylContact C-O 3.57Å; F52-I68 WeakPolarHBondContact CA-O 3.36Å; F52-H69 HydrophobicContact CD1-CB 3.66Å; F52-H69 AromaticContact CD1-CD2 3.89Å; F52-H69 AromaticContact CD2-CD2 3.72Å; F52-H69 HydrophobicContact CE1-CB 3.66Å; F52-H69 AromaticContact CE1-CD2 3.84Å; F52-H69 AromaticContact CE2-CD2 3.66Å; F52-H69 HydrophobicContact CG-CB 4.37Å; F52-H69 AromaticContact CG-CD2 3.84Å; F52-H69 HydrophobicContact CZ-CB 4.37Å; F52-H69 AromaticContact CZ-CD2 3.74Å; F52-H83 HydrophobicContact CZ-CB 3.92Å; F52-L87 HydrophobicContact CD2-CD2 4.07Å; F52-L87 HydrophobicContact CD2-CG 4.44Å; F52-L87 HydrophobicContact CE1-CD1 3.82Å; F52-L87 HydrophobicContact CE2-CD1 3.88Å; F52-L87 HydrophobicContact CE2-CD2 3.81Å; F52-L87 HydrophobicContact CE2-CG 3.71Å; F52-L87 HydrophobicContact CZ-CD1 3.43Å; F52-L87 VanDerWaalsContact CZ-CD1 3.43Å; F52-L87 HydrophobicContact CZ-CD2 4.26Å; F52-L87 HydrophobicContact CZ-CG 3.76Å
53	I	89.2	Confident	86.7	Confident	96 Å²	96	56.4 Å²	56.4	49%	0.492	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	127.1	164.7	-58.2	173.6	0	0	0	107.4	A55 F67 I68 P70	I53-A55 PolarHBondContact O-N 3.08Å; I53-F67 CarbonylContact O-C 3.14Å; I53-F67 WeakPolarHBondContact O-CA 3.43Å; I53-I68 PolarHBondContact N-O 3.47Å; I53-I68 PolarHBondContact O-N 3.48Å; I53-P70 HydrophobicContact CD1-CG 3.79Å; I53-P70 HydrophobicContact CG1-CG 4.08Å
54	N	88.9	Confident	86.7	Confident	19 Å²	19	57.9 Å²	57.9	10%	0.102	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	108	169.2	-177.5	6.9	0	0	0	108.6	A47 G56 F67	A47-N54 HydrophobicContact CB-CB 3.92Å; N54-G56 VanDerWaalsContact C-N 3.28Å; N54-G56 PolarHBondContact OD1-N 3.08Å; N54-F67 HydrophobicContact CB-CD1 4.23Å; N54-F67 HydrophobicContact CB-CE1 4.13Å
55	A	83.8	Confident	86.5	Confident	15 Å²	15	53.7 Å²	53.7	12%	0.124	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	-11.4	179.3	0	0	0	0	0	112.9	I53 H66 I68 N197	I53-A55 PolarHBondContact O-N 3.08Å; A55-H66 HydrophobicContact CB-CB 4.22Å; A55-H66 WeakPolarHBondContact CB-O 3.35Å; A55-H66 PolarHBondContact N-O 2.8Å; A55-I68 HydrophobicContact CB-CD1 3.72Å; A55-I68 HydrophobicContact CB-CG1 4.05Å; A55-N197 PolarHBondContact O-OD1 2.9Å
56	G	84.4	Confident	86.4	Confident	14 Å²	14	47 Å²	47	14%	0.144	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	129.7	175.4	177.9	0	0	0	0	0	113.2	N54 H66	N54-G56 VanDerWaalsContact C-N 3.28Å; N54-G56 PolarHBondContact OD1-N 3.08Å; G56-H66 PolarHBondContact O-N 3.35Å
57	P	84.5	Confident	86.4	Confident	62 Å²	62	47 Å²	47	40%	0.403	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	156.2	173.6	31.7	-34	0	0	0	110.9	E64 W65	P57-E64 CarbonylContact C-O 3.5Å; P57-E64 WeakPolarHBondContact CA-O 3.44Å; P57-W65 HydrophobicContact CB-CE3 4.1Å; P57-W65 HydrophobicContact CB-CH2 4.09Å; P57-W65 HydrophobicContact CB-CZ3 3.86Å; P57-W65 HydrophobicContact CG-CZ3 4.27Å
58	V	81.1	Confident	86.2	Confident	7 Å²	7	48.9 Å²	48.9	4%	0.042	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-79.1	128.9	166.1	179.9	0	0	0	0	108.1	G60 S61 E64 L259	V58-G60 PolarHBondContact O-N 2.81Å; V58-S61 PolarHBondContact O-N 2.94Å; V58-E64 HydrophobicContact CB-CB 3.8Å; V58-E64 HydrophobicContact CG2-CB 3.92Å; V58-E64 PolarHBondContact N-O 3.1Å; V58-L259 HydrophobicContact CB-CD2 4.26Å; V58-L259 HydrophobicContact CG1-CD2 3.69Å; V58-L259 HydrophobicContact CG2-CD1 4.17Å; V58-L259 HydrophobicContact CG2-CD2 3.53Å; V58-L259 HydrophobicContact CG2-CG 4.45Å
59	L	69.8	Low	86	Confident	73 Å²	73	41.5 Å²	41.5	38%	0.382	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	132.4	-177.9	-75.4	179	0	0	0	112.8	N263 G266	L59-N263 WeakPolarHBondContact CD1-O 3.4Å; L59-N263 PolarHBondContact N-OD1 2.85Å; L59-G266 WeakPolarHBondContact CD1-O 3.38Å
60	G	67.3	Low	85.6	Confident	60 Å²	60	38.5 Å²	38.5	62%	0.619	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.9	8	179.6	0	0	0	0	0	115.3	V58	V58-G60 PolarHBondContact O-N 2.81Å
61	S	78.4	Confident	85.2	Confident	24 Å²	24	43.7 Å²	43.7	17%	0.168	27%	0.27	C	S	.	.			trans	-139.1	134.6	173.7	178.6	0	0	0	0	111.8	V58 T63 E64	V58-S61 PolarHBondContact O-N 2.94Å; S61-T63 VanDerWaalsContact C-N 3.29Å; S61-T63 PolarHBondContact OG-N 3.38Å; S61-T63 PolarHBondContact OG-OG1 3.36Å; S61-E64 WeakPolarHBondContact OG-CB 3.39Å; S61-E64 VanDerWaalsContact OG-CG 3.29Å; S61-E64 WeakPolarHBondContact OG-CG 3.31Å; S61-E64 PolarHBondContact OG-N 2.76Å
62	D	80.7	Confident	84.9	Confident	146 Å²	146	42 Å²	42	78%	0.781	25%	0.251	S	S	*	.	S	Bend	trans	-83.9	-9.1	175.5	-59.6	-37.4	0	0	0	112.6
63	T	88.4	Confident	84.3	Confident	52 Å²	52	45 Å²	45	32%	0.319	27%	0.272	S	S	.	.	S	Bend	trans	-118.3	-5.7	-172.4	58.7	0	0	0	0	113.4	H34 L35 S61	H34-T63 WeakPolarHBondContact CA-O 3.49Å; L35-T63 PolarHBondContact N-O 2.86Å; L35-T63 WeakPolarHBondContact O-CB 3.18Å; S61-T63 VanDerWaalsContact C-N 3.29Å; S61-T63 PolarHBondContact OG-N 3.38Å; S61-T63 PolarHBondContact OG-OG1 3.36Å
64	E	91	Very high	83.7	Confident	30 Å²	30	44.4 Å²	44.4	14%	0.14	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	133.2	-179.6	-68.4	178.5	-152.4	0	0	111.2	H32 V33 H34 P57 V58 S61	H32-E64 IonicContact CE1-OE2 3.15Å; H32-E64 PolarHBondContact CE1-OE2 3.48Å; H32-E64 IonicContact NE2-OE2 3.44Å; H32-E64 PolarHBondContact NE2-OE2 2.84Å; V33-E64 WeakPolarHBondContact O-CA 3.49Å; H34-E64 IonicContact CD2-OE1 3.82Å; H34-E64 IonicContact NE2-OE1 3.82Å; P57-E64 CarbonylContact C-O 3.5Å; P57-E64 WeakPolarHBondContact CA-O 3.44Å; V58-E64 HydrophobicContact CB-CB 3.8Å; V58-E64 HydrophobicContact CG2-CB 3.92Å; V58-E64 PolarHBondContact N-O 3.1Å; S61-E64 WeakPolarHBondContact OG-CB 3.39Å; S61-E64 VanDerWaalsContact OG-CG 3.29Å; S61-E64 WeakPolarHBondContact OG-CG 3.31Å; S61-E64 PolarHBondContact OG-N 2.76Å
65	W	89.9	Confident	83.2	Confident	11 Å²	11	45.3 Å²	45.3	4%	0.042	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	146.2	-171.6	-60.5	85.3	0	0	0	111.6	V33 K40 A43 P57 F67	V33-W65 PolarHBondContact N-O 2.98Å; V33-W65 PolarHBondContact O-N 3.29Å; K40-W65 HydrophobicContact CB-CH2 3.62Å; K40-W65 HydrophobicContact CB-CZ3 4.13Å; K40-W65 HydrophobicContact CG-CH2 4Å; K40-W65 HydrophobicContact CG-CZ3 3.98Å; A43-W65 HydrophobicContact CB-CD2 3.29Å; A43-W65 VanDerWaalsContact CB-CE2 3.49Å; A43-W65 HydrophobicContact CB-CE3 3.59Å; A43-W65 HydrophobicContact CB-CG 3.71Å; A43-W65 HydrophobicContact CB-CH2 4.29Å; A43-W65 HydrophobicContact CB-CZ2 3.99Å; A43-W65 HydrophobicContact CB-CZ3 4.08Å; P57-W65 HydrophobicContact CB-CE3 4.1Å; P57-W65 HydrophobicContact CB-CH2 4.09Å; P57-W65 HydrophobicContact CB-CZ3 3.86Å; P57-W65 HydrophobicContact CG-CZ3 4.27Å; W65-F67 HydrophobicContact CB-CD1 4.12Å; W65-F67 HydrophobicContact CB-CE1 3.63Å; W65-F67 HydrophobicContact CB-CZ 4.33Å; W65-F67 HydrophobicContact CG-CE1 4.36Å
66	H	90.3	Very high	83.1	Confident	4 Å²	4	50.4 Å²	50.4	2%	0.019	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	109.8	174.3	-178.2	-170.4	0	0	0	109.7	S30 A55 G56 I68 L259	S30-H66 VanDerWaalsContact CB-NE2 3.26Å; S30-H66 WeakPolarHBondContact CB-NE2 3.08Å; S30-H66 PolarHBondContact OG-NE2 3.17Å; A55-H66 HydrophobicContact CB-CB 4.22Å; A55-H66 WeakPolarHBondContact CB-O 3.35Å; A55-H66 PolarHBondContact N-O 2.8Å; G56-H66 PolarHBondContact O-N 3.35Å; H66-I68 WeakPolarHBondContact NE2-CG1 3.35Å; H66-L259 HydrophobicContact CB-CD1 3.94Å
67	F	91.9	Very high	83	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	138.4	174.6	-69.1	1.7	0	0	0	110.7	S30 F31 V33 A43 I46 A47 F52 I53 N54 W65 L87	S30-F67 CarbonylContact C-O 3.5Å; F31-F67 HydrophobicContact CB-CB 4.43Å; F31-F67 PolarHBondContact N-O 2.93Å; F31-F67 PolarHBondContact O-N 3.33Å; V33-F67 HydrophobicContact CB-CD2 4.23Å; V33-F67 HydrophobicContact CB-CE2 4.21Å; V33-F67 HydrophobicContact CG1-CE2 4.09Å; V33-F67 HydrophobicContact CG1-CZ 4.47Å; V33-F67 HydrophobicContact CG2-CB 4.21Å; V33-F67 HydrophobicContact CG2-CD2 3.58Å; V33-F67 HydrophobicContact CG2-CE2 4.01Å; V33-F67 HydrophobicContact CG2-CG 3.91Å; A43-F67 HydrophobicContact CB-CE1 4.23Å; A43-F67 HydrophobicContact CB-CZ 4.26Å; A43-F67 WeakPolarHBondContact O-CZ 3.41Å; I46-F67 HydrophobicContact CB-CE2 4.48Å; I46-F67 HydrophobicContact CG2-CE2 4.01Å; A47-F67 HydrophobicContact CB-CD1 4.09Å; A47-F67 HydrophobicContact CB-CD2 4Å; A47-F67 HydrophobicContact CB-CE1 3.97Å; A47-F67 HydrophobicContact CB-CE2 3.89Å; A47-F67 HydrophobicContact CB-CG 4.14Å; A47-F67 HydrophobicContact CB-CZ 3.89Å; F52-F67 HydrophobicContact CB-CB 4.12Å; F52-F67 HydrophobicContact CB-CD2 4.39Å; F52-F67 HydrophobicContact CB-CG 4.45Å; F52-F67 HydrophobicContact CD1-CB 3.81Å; F52-F67 HydrophobicContact CG-CB 4.22Å; F52-F67 HydrophobicContact CG-CD2 4.48Å; I53-F67 CarbonylContact O-C 3.14Å; I53-F67 WeakPolarHBondContact O-CA 3.43Å; N54-F67 HydrophobicContact CB-CD1 4.23Å; N54-F67 HydrophobicContact CB-CE1 4.13Å; W65-F67 HydrophobicContact CB-CD1 4.12Å; W65-F67 HydrophobicContact CB-CE1 3.63Å; W65-F67 HydrophobicContact CB-CZ 4.33Å; W65-F67 HydrophobicContact CG-CE1 4.36Å; F67-L87 HydrophobicContact CD2-CD1 4.36Å; F67-L87 HydrophobicContact CD2-CD2 3.88Å; F67-L87 HydrophobicContact CE2-CD2 4.05Å
68	I	88.3	Confident	82.9	Confident	39 Å²	39	66.6 Å²	66.6	20%	0.2	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.5	177.2	-59.1	176.3	0	0	0	108.4	N29 F52 I53 A55 H66	N29-I68 WeakPolarHBondContact ND2-CG2 3.24Å; N29-I68 WeakPolarHBondContact O-CA 3.43Å; F52-I68 CarbonylContact C-O 3.57Å; F52-I68 WeakPolarHBondContact CA-O 3.36Å; I53-I68 PolarHBondContact N-O 3.47Å; I53-I68 PolarHBondContact O-N 3.48Å; A55-I68 HydrophobicContact CB-CD1 3.72Å; A55-I68 HydrophobicContact CB-CG1 4.05Å; H66-I68 WeakPolarHBondContact NE2-CG1 3.35Å
69	H	88.5	Confident	83	Confident	3 Å²	3	71 Å²	71	1%	0.014	36%	0.357	C	S	.	.			trans	-100.1	117.2	174.9	-160.3	-72.8	0	0	0	110.7	N29 F31 F52 D71 V72 H83	N29-H69 PolarHBondContact O-N 3Å; F31-H69 HydrophobicContact CE2-CB 4.42Å; F52-H69 HydrophobicContact CD1-CB 3.66Å; F52-H69 AromaticContact CD1-CD2 3.89Å; F52-H69 AromaticContact CD2-CD2 3.72Å; F52-H69 HydrophobicContact CE1-CB 3.66Å; F52-H69 AromaticContact CE1-CD2 3.84Å; F52-H69 AromaticContact CE2-CD2 3.66Å; F52-H69 HydrophobicContact CG-CB 4.37Å; F52-H69 AromaticContact CG-CD2 3.84Å; F52-H69 HydrophobicContact CZ-CB 4.37Å; F52-H69 AromaticContact CZ-CD2 3.74Å; H69-D71 VanDerWaalsContact C-N 3.33Å; H69-D71 IonicContact CE1-OD2 3.9Å; H69-D71 PolarHBondContact CE1-OD2 2.95Å; H69-D71 PolarHBondContact ND1-N 3.43Å; H69-D71 VanDerWaalsContact ND1-N 3.2Å; H69-D71 PolarHBondContact O-N 3.01Å; H69-V72 HydrophobicContact CB-CB 4.1Å; H69-V72 HydrophobicContact CB-CG2 3.72Å; H69-V72 PolarHBondContact O-N 3.27Å; H69-H83 AromaticContact CD2-CD2 3.27Å; H69-H83 PolarHBondContact CD2-CD2 2.86Å; H69-H83 AromaticContact CD2-NE2 3.73Å; H69-H83 AromaticContact CE1-CD2 3.77Å; H69-H83 AromaticContact CE1-NE2 3.37Å; H69-H83 PolarHBondContact CE1-NE2 3.37Å; H69-H83 AromaticContact CG-CD2 3.73Å; H69-H83 AromaticContact CG-NE2 3.94Å; H69-H83 AromaticContact ND1-NE2 3.74Å; H69-H83 AromaticContact NE2-CD2 3.27Å; H69-H83 PolarHBondContact NE2-CD2 3.23Å; H69-H83 VanDerWaalsContact NE2-CD2 3.27Å; H69-H83 AromaticContact NE2-NE2 3.33Å; H69-H83 PolarHBondContact NE2-NE2 3.21Å
70	P	84.8	Confident	83.9	Confident	76 Å²	76	68.1 Å²	68.1	49%	0.494	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-39.2	-178.5	-25.9	35.8	0	0	0	113.9	G51 I53 V72	G51-P70 WeakPolarHBondContact O-CD 3.35Å; I53-P70 HydrophobicContact CD1-CG 3.79Å; I53-P70 HydrophobicContact CG1-CG 4.08Å; P70-V72 VanDerWaalsContact C-N 3.31Å; P70-V72 PolarHBondContact O-N 3.44Å
71	D	84.8	Confident	84.8	Confident	137 Å²	137	68.7 Å²	68.7	73%	0.733	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-10.7	-177.9	-53	-28.5	0	0	0	114.4	H69	H69-D71 VanDerWaalsContact C-N 3.33Å; H69-D71 IonicContact CE1-OD2 3.9Å; H69-D71 PolarHBondContact CE1-OD2 2.95Å; H69-D71 PolarHBondContact ND1-N 3.43Å; H69-D71 VanDerWaalsContact ND1-N 3.2Å; H69-D71 PolarHBondContact O-N 3.01Å
72	V	84	Confident	85.3	Confident	5 Å²	5	71.6 Å²	71.6	3%	0.03	36%	0.358	C	S	.	.	S	Bend	trans	-82.7	128.5	175.6	176.3	0	0	0	0	107.5	N29 F31 H69 P70 K74	N29-V72 HydrophobicContact CB-CB 3.81Å; N29-V72 HydrophobicContact CB-CG1 3.9Å; N29-V72 WeakPolarHBondContact CB-O 3.46Å; F31-V72 HydrophobicContact CE2-CG2 4.46Å; H69-V72 HydrophobicContact CB-CB 4.1Å; H69-V72 HydrophobicContact CB-CG2 3.72Å; H69-V72 PolarHBondContact O-N 3.27Å; P70-V72 VanDerWaalsContact C-N 3.31Å; P70-V72 PolarHBondContact O-N 3.44Å; V72-K74 PolarHBondContact O-N 3.48Å
73	P	80.9	Confident	85.8	Confident	72 Å²	72	65.9 Å²	65.9	47%	0.468	33%	0.327	S	S	.	.			trans	-57.7	138.5	175.8	-26.1	34.7	0	0	0	111.6	A75	P73-A75 PolarHBondContact O-N 3.24Å; P73-A75 VanDerWaalsContact O-N 3.08Å
74	K	75.9	Confident	85.8	Confident	83 Å²	83	65 Å²	65	36%	0.361	32%	0.319	S	S	.	.	S	Bend	trans	-52.3	-27.4	175.2	-70.3	-171.5	172.7	-170.5	0	113.5	T28 V72 D252 Q253	T28-K74 WeakPolarHBondContact CA-O 3.27Å; V72-K74 PolarHBondContact O-N 3.48Å; K74-D252 WeakPolarHBondContact CD-O 3.33Å; K74-D252 VanDerWaalsContact CE-O 3.3Å; K74-D252 WeakPolarHBondContact CE-O 3.37Å; K74-D252 PolarHBondContact NZ-O 3.33Å; K74-D252 IonicContact NZ-OD1 3.78Å; K74-D252 PolarHBondContact NZ-OD1 3.44Å; K74-Q253 VanDerWaalsContact CD-CD 3.46Å; K74-Q253 VanDerWaalsContact CG-NE2 3.34Å
75	A	77.9	Confident	85.7	Confident	39 Å²	39	71.3 Å²	71.3	32%	0.322	35%	0.346	S	S	.	.	S	Bend	trans	-140.6	128.2	174.4	0	0	0	0	0	111.6	V26 F27 P73 P254 Y255	V26-A75 HydrophobicContact CG1-CB 3.74Å; F27-A75 CarbonylContact O-C 3.58Å; P73-A75 PolarHBondContact O-N 3.24Å; P73-A75 VanDerWaalsContact O-N 3.08Å; A75-P254 HydrophobicContact CB-CG 4.11Å; A75-Y255 HydrophobicContact CB-CD2 3.73Å; A75-Y255 HydrophobicContact CB-CE2 3.44Å; A75-Y255 VanDerWaalsContact CB-CE2 3.44Å
76	R	82.9	Confident	85.8	Confident	122 Å²	122	76.5 Å²	76.5	46%	0.46	37%	0.366	S	S	.	.	B	Isolated β-bridge	trans	-148.1	147.8	179	-161.3	176	-158	-132.2	7.7	112.1	V26 F27 R78	V26-R76 CarbonylContact C-O 3.6Å; F27-R76 PolarHBondContact N-O 2.95Å; F27-R76 PolarHBondContact O-N 3.19Å; R76-R78 VanDerWaalsContact C-N 3.33Å; R76-R78 PolarHBondContact O-N 3.39Å
77	R	80.8	Confident	85.9	Confident	220 Å²	220	76.3 Å²	76.3	83%	0.83	37%	0.365	S	S	*	.	S	Bend	trans	-77	-12.6	178.9	-62.4	-173.9	179.9	-160.3	0.1	115.2
78	R	82.5	Confident	85.8	Confident	196 Å²	196	80 Å²	80	74%	0.74	38%	0.384	S	S	*	.	S	Bend	trans	-135.3	138.3	-175.9	-67.7	-173.6	179.9	177.1	0.5	110.7	R76	R76-R78 VanDerWaalsContact C-N 3.33Å; R76-R78 PolarHBondContact O-N 3.39Å
79	R	84.8	Confident	86	Confident	98 Å²	98	82.3 Å²	82.3	37%	0.37	40%	0.404	S	S	.	.			trans	-53.8	141.9	171.5	-165.1	-176.1	-176	175.6	8.6	111	F27 A81 H84 V96 Q98	F27-R79 HydrophobicContact CD1-CB 4.09Å; F27-R79 HydrophobicContact CD1-CG 4.3Å; F27-R79 HydrophobicContact CE1-CB 4Å; F27-R79 HydrophobicContact CE1-CG 4.33Å; F27-R79 HydrophobicContact CE2-CB 4.47Å; F27-R79 HydrophobicContact CG-CB 4.37Å; F27-R79 HydrophobicContact CZ-CB 4.2Å; R79-A81 PolarHBondContact O-N 3.5Å; R79-H84 VanDerWaalsContact CZ-CD2 3.47Å; R79-H84 PolarHBondContact NH2-CD2 3.31Å; R79-H84 PolarHBondContact NH2-CE1 3.08Å; R79-H84 PolarHBondContact NH2-ND1 3.41Å; R79-H84 PolarHBondContact NH2-NE2 2.84Å; R79-H84 VanDerWaalsContact NH2-NE2 3.12Å; R79-V96 PolarHBondContact NH2-O 2.57Å; R79-Q98 HydrophobicContact CG-CB 4.12Å
80	S	87.3	Confident	86.1	Confident	13 Å²	13	83.6 Å²	83.6	9%	0.091	41%	0.41	C	S	.	.			trans	-83.9	88.8	174.3	-157.2	0	0	0	0	110.6	V82 H83 H84	S80-V82 PolarHBondContact O-N 3.08Å; S80-H83 PolarHBondContact O-N 3.43Å; S80-H83 PolarHBondContact OG-ND1 3.15Å; S80-H84 VanDerWaalsContact O-CB 3.3Å; S80-H84 WeakPolarHBondContact O-CB 3.46Å; S80-H84 PolarHBondContact O-N 2.95Å; S80-H84 VanDerWaalsContact O-N 3.08Å
81	A	86.1	Confident	86.3	Confident	72 Å²	72	83.9 Å²	83.9	60%	0.595	42%	0.419	S	S	*	.	H	α-helix	trans	-58.9	-33.4	179.4	0	0	0	0	0	112.8	R79 K85	R79-A81 PolarHBondContact O-N 3.5Å; A81-K85 VanDerWaalsContact O-CB 3.29Å; A81-K85 WeakPolarHBondContact O-CB 3.28Å; A81-K85 PolarHBondContact O-N 3.04Å
82	V	90	Very high	86.6	Confident	86 Å²	86	78.5 Å²	78.5	52%	0.521	39%	0.393	S	S	.	.	H	α-helix	trans	-63.5	-56.6	-179.6	178.5	0	0	0	0	111.2	S80 H84 K85 R86	S80-V82 PolarHBondContact O-N 3.08Å; V82-H84 VanDerWaalsContact C-N 3.31Å; V82-H84 PolarHBondContact O-N 3.28Å; V82-K85 PolarHBondContact O-N 3.36Å; V82-R86 WeakPolarHBondContact O-CG 3.41Å; V82-R86 PolarHBondContact O-N 3.35Å
83	H	90.6	Very high	87	Confident	26 Å²	26	78.6 Å²	78.6	12%	0.12	39%	0.394	C	S	.	.	H	α-helix	trans	-64.8	-37.5	-179.7	-64.1	92.9	0	0	0	111.7	F31 F52 H69 S80 R86 L87	F31-H83 HydrophobicContact CE1-CB 4.19Å; F31-H83 HydrophobicContact CZ-CB 3.86Å; F52-H83 HydrophobicContact CZ-CB 3.92Å; H69-H83 AromaticContact CD2-CD2 3.27Å; H69-H83 PolarHBondContact CD2-CD2 2.86Å; H69-H83 AromaticContact CD2-NE2 3.73Å; H69-H83 AromaticContact CE1-CD2 3.77Å; H69-H83 AromaticContact CE1-NE2 3.37Å; H69-H83 PolarHBondContact CE1-NE2 3.37Å; H69-H83 AromaticContact CG-CD2 3.73Å; H69-H83 AromaticContact CG-NE2 3.94Å; H69-H83 AromaticContact ND1-NE2 3.74Å; H69-H83 AromaticContact NE2-CD2 3.27Å; H69-H83 PolarHBondContact NE2-CD2 3.23Å; H69-H83 VanDerWaalsContact NE2-CD2 3.27Å; H69-H83 AromaticContact NE2-NE2 3.33Å; H69-H83 PolarHBondContact NE2-NE2 3.21Å; S80-H83 PolarHBondContact O-N 3.43Å; S80-H83 PolarHBondContact OG-ND1 3.15Å; H83-R86 PolarHBondContact O-N 3.01Å; H83-L87 PolarHBondContact O-N 2.92Å
84	H	87.8	Confident	87.5	Confident	33 Å²	33	78.2 Å²	78.2	15%	0.153	39%	0.392	C	S	.	.	H	α-helix	trans	-61.2	-45.8	174.7	-177.1	47.6	0	0	0	112.5	R79 S80 V82 L88 V96	R79-H84 VanDerWaalsContact CZ-CD2 3.47Å; R79-H84 PolarHBondContact NH2-CD2 3.31Å; R79-H84 PolarHBondContact NH2-CE1 3.08Å; R79-H84 PolarHBondContact NH2-ND1 3.41Å; R79-H84 PolarHBondContact NH2-NE2 2.84Å; R79-H84 VanDerWaalsContact NH2-NE2 3.12Å; S80-H84 VanDerWaalsContact O-CB 3.3Å; S80-H84 WeakPolarHBondContact O-CB 3.46Å; S80-H84 PolarHBondContact O-N 2.95Å; S80-H84 VanDerWaalsContact O-N 3.08Å; V82-H84 VanDerWaalsContact C-N 3.31Å; V82-H84 PolarHBondContact O-N 3.28Å; H84-L88 VanDerWaalsContact CE1-CD1 3.42Å; H84-L88 WeakPolarHBondContact CE1-CD1 3.42Å; H84-L88 WeakPolarHBondContact NE2-CD1 3.39Å; H84-L88 PolarHBondContact O-N 3Å; H84-L88 VanDerWaalsContact O-N 3.16Å; H84-V96 PolarHBondContact CE1-O 2.9Å; H84-V96 WeakPolarHBondContact ND1-CB 3.34Å; H84-V96 WeakPolarHBondContact ND1-CG1 3.46Å; H84-V96 PolarHBondContact ND1-O 2.71Å
85	K	89.9	Confident	88.3	Confident	163 Å²	163	79.6 Å²	79.6	71%	0.709	40%	0.398	S	S	*	.	H	α-helix	trans	-68.4	-36.3	178.7	-172.2	177	179.7	-179.6	0	112.4	A81 V82 L88 S89	A81-K85 VanDerWaalsContact O-CB 3.29Å; A81-K85 WeakPolarHBondContact O-CB 3.28Å; A81-K85 PolarHBondContact O-N 3.04Å; V82-K85 PolarHBondContact O-N 3.36Å; K85-L88 PolarHBondContact O-N 3.35Å; K85-S89 PolarHBondContact O-N 2.57Å
86	R	91.3	Very high	88.9	Confident	119 Å²	119	78 Å²	78	45%	0.449	39%	0.385	S	S	.	.	H	α-helix	trans	-59.1	-50.9	175.8	-77.7	-179.7	-177.9	175.1	-0.5	111.6	V82 H83 L88 S89	V82-R86 WeakPolarHBondContact O-CG 3.41Å; V82-R86 PolarHBondContact O-N 3.35Å; H83-R86 PolarHBondContact O-N 3.01Å; R86-L88 PolarHBondContact O-N 2.78Å; R86-S89 WeakPolarHBondContact O-CB 3.49Å; R86-S89 PolarHBondContact O-N 3.28Å; R86-S89 VanDerWaalsContact O-N 3.15Å; R86-S89 PolarHBondContact O-OG 2.94Å
87	L	92.1	Very high	89.3	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-64.6	-39.8	177.7	-70.3	172.6	0	0	0	112.5	F31 V33 I46 H50 F52 F67 H83 S89 E90 V93 V96	F31-L87 HydrophobicContact CB-CD1 4.37Å; F31-L87 HydrophobicContact CD1-CD1 4.39Å; F31-L87 HydrophobicContact CG-CD1 4.49Å; V33-L87 HydrophobicContact CG2-CD1 3.84Å; I46-L87 HydrophobicContact CG2-CD2 4.25Å; H50-L87 HydrophobicContact CB-CD2 4.36Å; F52-L87 HydrophobicContact CD2-CD2 4.07Å; F52-L87 HydrophobicContact CD2-CG 4.44Å; F52-L87 HydrophobicContact CE1-CD1 3.82Å; F52-L87 HydrophobicContact CE2-CD1 3.88Å; F52-L87 HydrophobicContact CE2-CD2 3.81Å; F52-L87 HydrophobicContact CE2-CG 3.71Å; F52-L87 HydrophobicContact CZ-CD1 3.43Å; F52-L87 VanDerWaalsContact CZ-CD1 3.43Å; F52-L87 HydrophobicContact CZ-CD2 4.26Å; F52-L87 HydrophobicContact CZ-CG 3.76Å; F67-L87 HydrophobicContact CD2-CD1 4.36Å; F67-L87 HydrophobicContact CD2-CD2 3.88Å; F67-L87 HydrophobicContact CE2-CD2 4.05Å; H83-L87 PolarHBondContact O-N 2.92Å; L87-S89 PolarHBondContact O-N 3.17Å; L87-E90 WeakPolarHBondContact O-CB 3.49Å; L87-E90 PolarHBondContact O-N 3.18Å; L87-V93 WeakPolarHBondContact O-CB 3.36Å; L87-V93 WeakPolarHBondContact O-CG2 3.22Å; L87-V96 HydrophobicContact CB-CG1 4.27Å; L87-V96 HydrophobicContact CB-CG2 3.64Å; L87-V96 HydrophobicContact CD1-CG1 3.86Å; L87-V96 HydrophobicContact CD1-CG2 4.44Å
88	L	91	Very high	89.8	Confident	78 Å²	78	64.5 Å²	64.5	41%	0.408	34%	0.34	S	S	.	.	H	α-helix	trans	-68.2	-14.2	175.9	-76.7	179.4	0	0	0	114.2	H84 K85 R86 E90 V93 V96	H84-L88 VanDerWaalsContact CE1-CD1 3.42Å; H84-L88 WeakPolarHBondContact CE1-CD1 3.42Å; H84-L88 WeakPolarHBondContact NE2-CD1 3.39Å; H84-L88 PolarHBondContact O-N 3Å; H84-L88 VanDerWaalsContact O-N 3.16Å; K85-L88 PolarHBondContact O-N 3.35Å; R86-L88 PolarHBondContact O-N 2.78Å; L88-E90 PolarHBondContact O-N 3.3Å; L88-V93 HydrophobicContact CD2-CG1 4.41Å; L88-V96 HydrophobicContact CD2-CB 4.26Å; L88-V96 HydrophobicContact CD2-CG2 3.87Å; L88-V96 HydrophobicContact CG-CB 4.27Å; L88-V96 HydrophobicContact CG-CG2 4.02Å
89	S	92.1	Very high	90	Very high	87 Å²	87	56 Å²	56	61%	0.608	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-13.4	175.3	73.6	0	0	0	0	113.1	K85 R86 L87	K85-S89 PolarHBondContact O-N 2.57Å; R86-S89 WeakPolarHBondContact O-CB 3.49Å; R86-S89 PolarHBondContact O-N 3.28Å; R86-S89 VanDerWaalsContact O-N 3.15Å; R86-S89 PolarHBondContact O-OG 2.94Å; L87-S89 PolarHBondContact O-N 3.17Å
90	E	91.3	Very high	90	Very high	31 Å²	31	53.3 Å²	53.3	15%	0.145	30%	0.303	C	S	.	.	S	Bend	trans	-77.9	126.4	176.6	-70.6	-69.5	170.8	0	0	111.3	I46 R49 H50 L87 L88 A92 V93	I46-E90 HydrophobicContact CG2-CG 4.03Å; R49-E90 WeakPolarHBondContact CD-OE1 3.22Å; R49-E90 IonicContact CZ-OE1 3.86Å; R49-E90 IonicContact NE-OE1 2.84Å; R49-E90 IonicContact NH1-OE1 3.51Å; R49-E90 PolarHBondContact NH1-OE1 2.91Å; R49-E90 IonicContact NH1-OE2 2.79Å; R49-E90 PolarHBondContact NH1-OE2 2.88Å; H50-E90 IonicContact CD2-OE1 3.85Å; H50-E90 IonicContact CE1-OE1 3.49Å; H50-E90 WeakPolarHBondContact NE2-CG 3.49Å; H50-E90 IonicContact NE2-OE1 3.4Å; H50-E90 PolarHBondContact NE2-OE1 3.48Å; L87-E90 WeakPolarHBondContact O-CB 3.49Å; L87-E90 PolarHBondContact O-N 3.18Å; L88-E90 PolarHBondContact O-N 3.3Å; E90-A92 PolarHBondContact O-N 3.01Å; E90-V93 HydrophobicContact CB-CB 4.11Å; E90-V93 HydrophobicContact CB-CG2 3.66Å; E90-V93 HydrophobicContact CG-CG2 4.48Å; E90-V93 PolarHBondContact O-N 3.11Å
91	A	89	Confident	89.6	Confident	82 Å²	82	53.1 Å²	53.1	68%	0.678	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-31.3	-178.9	0	0	0	0	0	112.8	K36 V93	K36-A91 WeakPolarHBondContact CD-O 3.35Å; K36-A91 WeakPolarHBondContact CE-O 3.01Å; K36-A91 PolarHBondContact NZ-O 3.21Å; A91-V93 VanDerWaalsContact C-N 3.33Å
92	A	91.3	Very high	89.1	Confident	24 Å²	24	50.2 Å²	50.2	20%	0.198	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-22.8	177.3	0	0	0	0	0	113.2	L35 K36 I46 E90	L35-A92 CarbonylContact C-O 3.18Å; L35-A92 WeakPolarHBondContact CA-O 3.28Å; K36-A92 PolarHBondContact N-O 2.71Å; I46-A92 HydrophobicContact CD1-CB 3.92Å; E90-A92 PolarHBondContact O-N 3.01Å
93	V	90.8	Very high	88.2	Confident	7 Å²	7	52.3 Å²	52.3	4%	0.042	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	125	-177	176.6	0	0	0	0	109.7	V33 L35 I46 L87 L88 E90 A91 V96	V33-V93 HydrophobicContact CG1-CG1 3.94Å; V33-V93 HydrophobicContact CG1-CG2 4Å; L35-V93 HydrophobicContact CD2-CG2 3.75Å; I46-V93 HydrophobicContact CD1-CG2 4.45Å; I46-V93 HydrophobicContact CG2-CG2 4.38Å; L87-V93 WeakPolarHBondContact O-CB 3.36Å; L87-V93 WeakPolarHBondContact O-CG2 3.22Å; L88-V93 HydrophobicContact CD2-CG1 4.41Å; E90-V93 HydrophobicContact CB-CB 4.11Å; E90-V93 HydrophobicContact CB-CG2 3.66Å; E90-V93 HydrophobicContact CG-CG2 4.48Å; E90-V93 PolarHBondContact O-N 3.11Å; A91-V93 VanDerWaalsContact C-N 3.33Å; V93-V96 HydrophobicContact CG1-CG2 3.4Å
94	S	92	Very high	87.6	Confident	63 Å²	63	52.6 Å²	52.6	44%	0.441	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-38.2	176.6	60.5	0	0	0	0	112.3	H34	H34-S94 VanDerWaalsContact CB-OG 3.28Å; H34-S94 WeakPolarHBondContact CB-OG 3.43Å; H34-S94 PolarHBondContact O-N 3.38Å; H34-S94 PolarHBondContact O-OG 2.91Å; H34-S94 VanDerWaalsContact O-OG 3.1Å
95	K	92	Very high	86.6	Confident	112 Å²	112	52.5 Å²	52.5	49%	0.487	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	142.6	-174.3	-176.1	-179.2	177	-172.1	0	111.1	H34 V97	H34-K95 HydrophobicContact CB-CB 4.03Å; H34-K95 PolarHBondContact N-O 3.37Å; H34-K95 PolarHBondContact O-N 3.49Å; K95-V97 HydrophobicContact CG-CG2 4.34Å
96	V	91.3	Very high	85.5	Confident	5 Å²	5	46.2 Å²	46.2	3%	0.03	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	127.8	175.8	-179.9	0	0	0	0	109.3	F31 H32 V33 R79 H84 L87 L88 V93	F31-V96 HydrophobicContact CD1-CG1 4Å; H32-V96 CarbonylContact O-C 3.56Å; H32-V96 WeakPolarHBondContact O-CA 3.46Å; V33-V96 HydrophobicContact CG1-CG2 4.43Å; V33-V96 HydrophobicContact CG2-CG1 4.45Å; V33-V96 HydrophobicContact CG2-CG2 4.49Å; R79-V96 PolarHBondContact NH2-O 2.57Å; H84-V96 PolarHBondContact CE1-O 2.9Å; H84-V96 WeakPolarHBondContact ND1-CB 3.34Å; H84-V96 WeakPolarHBondContact ND1-CG1 3.46Å; H84-V96 PolarHBondContact ND1-O 2.71Å; L87-V96 HydrophobicContact CB-CG1 4.27Å; L87-V96 HydrophobicContact CB-CG2 3.64Å; L87-V96 HydrophobicContact CD1-CG1 3.86Å; L87-V96 HydrophobicContact CD1-CG2 4.44Å; L88-V96 HydrophobicContact CD2-CB 4.26Å; L88-V96 HydrophobicContact CD2-CG2 3.87Å; L88-V96 HydrophobicContact CG-CB 4.27Å; L88-V96 HydrophobicContact CG-CG2 4.02Å; V93-V96 HydrophobicContact CG1-CG2 3.4Å
97	V	91	Very high	84.7	Confident	54 Å²	54	40.7 Å²	40.7	33%	0.327	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	127.7	174.4	-176.3	0	0	0	0	108.1	F31 H32 K95	F31-V97 CarbonylContact C-O 3.44Å; F31-V97 WeakPolarHBondContact CA-O 3.33Å; H32-V97 HydrophobicContact CB-CB 4.33Å; H32-V97 PolarHBondContact N-O 3.12Å; H32-V97 PolarHBondContact O-N 3.13Å; K95-V97 HydrophobicContact CG-CG2 4.34Å
98	Q	90.6	Very high	83.1	Confident	5 Å²	5	41.3 Å²	41.3	2%	0.023	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	127	170.5	-173.5	174.6	-0.3	0	0	107.9	F27 T28 F31 R79	F27-Q98 HydrophobicContact CB-CG 4.46Å; F27-Q98 HydrophobicContact CD1-CG 4.45Å; T28-Q98 PolarHBondContact O-NE2 3.2Å; F31-Q98 HydrophobicContact CD1-CB 3.9Å; F31-Q98 HydrophobicContact CD1-CG 4.13Å; F31-Q98 HydrophobicContact CE1-CB 3.71Å; F31-Q98 HydrophobicContact CE1-CG 3.73Å; F31-Q98 HydrophobicContact CE2-CG 4.21Å; F31-Q98 HydrophobicContact CZ-CB 4.28Å; F31-Q98 HydrophobicContact CZ-CG 3.77Å; R79-Q98 HydrophobicContact CG-CB 4.12Å
99	M	87.9	Confident	81.4	Confident	19 Å²	19	40.3 Å²	40.3	9%	0.094	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	132.6	-171.7	-60.4	-55.7	-67.4	0	0	111	T28 S30 H32 T257 D258 L259	T28-M99 PolarHBondContact N-O 2.83Å; T28-M99 PolarHBondContact OG1-O 2.84Å; S30-M99 WeakPolarHBondContact O-CB 3.07Å; S30-M99 PolarHBondContact O-N 2.91Å; H32-M99 HydrophobicContact CB-SD 3.68Å; M99-T257 HydrophobicContact CB-CG2 3.91Å; M99-D258 HydrophobicContact CE-CB 3.8Å; M99-L259 HydrophobicContact CE-CD1 4.38Å; M99-L259 HydrophobicContact CE-CG 3.81Å; M99-L259 HydrophobicContact CG-CD1 4.25Å; M99-L259 HydrophobicContact SD-CD1 4.14Å; M99-L259 HydrophobicContact SD-CG 4.21Å
100	V	85.6	Confident	79.8	Confident	41 Å²	41	40.1 Å²	40.1	25%	0.248	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	135.4	171.2	-179.1	0	0	0	0	108.4	Q25 V26 F27	Q25-V100 HydrophobicContact CB-CG1 4.21Å; Q25-V100 HydrophobicContact CG-CG1 4.49Å; V26-V100 CarbonylContact O-C 3.6Å; V26-V100 VanDerWaalsContact O-CA 3.3Å; V26-V100 WeakPolarHBondContact O-CA 3.28Å; V26-V100 WeakPolarHBondContact O-CG1 3.4Å; F27-V100 HydrophobicContact CD1-CG2 4.18Å; F27-V100 HydrophobicContact CE1-CG2 4.02Å
101	G	77.6	Confident	77.7	Confident	8 Å²	8	43.8 Å²	43.8	8%	0.082	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	141.5	177.2	0	0	0	0	0	112.1	V26 M256	V26-G101 PolarHBondContact O-N 3.13Å; G101-M256 VanDerWaalsContact CA-O 3.32Å; G101-M256 WeakPolarHBondContact CA-O 3.2Å
102	F	76.2	Confident	75.4	Confident	12 Å²	12	42.3 Å²	42.3	5%	0.053	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-132.9	162.9	174.6	50.6	-90.4	0	0	0	111.2	R104 Y255 M256 E261	F102-R104 HydrophobicContact CD2-CG 4.35Å; F102-R104 VanDerWaalsContact CD2-CZ 3.46Å; F102-R104 HydrophobicContact CE2-CG 4.27Å; F102-R104 VanDerWaalsContact CE2-CZ 3.49Å; F102-Y255 CarbonylContact O-C 3.59Å; F102-Y255 VanDerWaalsContact O-CA 3.3Å; F102-Y255 WeakPolarHBondContact O-CA 3.35Å; F102-M256 VanDerWaalsContact CD1-O 3.26Å; F102-M256 WeakPolarHBondContact CD1-O 3.39Å; F102-M256 HydrophobicContact CD2-CB 3.86Å; F102-M256 HydrophobicContact CD2-CG 4.4Å; F102-M256 VanDerWaalsContact CE1-O 3.28Å; F102-M256 WeakPolarHBondContact CE1-O 3.33Å; F102-M256 HydrophobicContact CE2-CB 3.41Å; F102-M256 VanDerWaalsContact CE2-CB 3.41Å; F102-M256 HydrophobicContact CE2-CG 3.47Å; F102-M256 VanDerWaalsContact CE2-CG 3.47Å; F102-M256 HydrophobicContact CZ-CB 3.89Å; F102-M256 HydrophobicContact CZ-CG 3.69Å; F102-M256 PolarHBondContact N-O 2.86Å; F102-M256 PolarHBondContact O-N 2.9Å; F102-E261 VanDerWaalsContact CE2-CD 3.43Å; F102-E261 HydrophobicContact CE2-CG 4.45Å; F102-E261 VanDerWaalsContact CE2-OE1 3.27Å; F102-E261 WeakPolarHBondContact CE2-OE1 3.43Å; F102-E261 VanDerWaalsContact CE2-OE2 3.24Å; F102-E261 WeakPolarHBondContact CE2-OE2 3.23Å; F102-E261 HydrophobicContact CZ-CG 4.29Å; F102-E261 WeakPolarHBondContact CZ-OE2 3.4Å
103	K	71.3	Confident	73.1	Confident	130 Å²	130	44.2 Å²	44.2	57%	0.565	24%	0.243	S	C	*	.			trans	-93.7	142.1	-177.4	-67.3	-177.7	177.3	-179.1	0	110.6	Y255	K103-Y255 HydrophobicContact CG-CD1 4.43Å; K103-Y255 HydrophobicContact CG-CE1 4.3Å
104	R	77	Confident	70.3	Confident	31 Å²	31	50.4 Å²	50.4	12%	0.117	27%	0.274	C	S	.	.			trans	-126.4	143.1	166.5	-63	-62.2	179.7	-136.3	0.3	108.5	F102 M256 E261 W279 G280 D289 G290	F102-R104 HydrophobicContact CD2-CG 4.35Å; F102-R104 VanDerWaalsContact CD2-CZ 3.46Å; F102-R104 HydrophobicContact CE2-CG 4.27Å; F102-R104 VanDerWaalsContact CE2-CZ 3.49Å; R104-M256 HydrophobicContact CG-CB 4.19Å; R104-M256 HydrophobicContact CG-CE 4.49Å; R104-M256 HydrophobicContact CG-CG 4.43Å; R104-E261 IonicContact CZ-OE1 3.36Å; R104-E261 IonicContact NE-OE1 3.4Å; R104-E261 PolarHBondContact NE-OE1 2.96Å; R104-E261 IonicContact NE-OE2 2.71Å; R104-E261 IonicContact NH2-OE1 3.56Å; R104-E261 IonicContact NH2-OE2 3.49Å; R104-E261 PolarHBondContact NH2-OE2 2.98Å; R104-W279 HydrophobicContact CB-CE3 4.25Å; R104-W279 HydrophobicContact CG-CE3 3.98Å; R104-W279 HydrophobicContact CG-CZ3 4.08Å; R104-G280 WeakPolarHBondContact CA-O 3.39Å; R104-G280 WeakPolarHBondContact CD-O 3.25Å; R104-D289 IonicContact CZ-OD2 3.26Å; R104-D289 IonicContact NH1-OD2 2.77Å; R104-D289 PolarHBondContact NH1-OD2 3.07Å; R104-D289 IonicContact NH2-OD2 3.82Å; R104-G290 PolarHBondContact NH2-O 2.86Å
105	A	67.8	Low	67.6	Low	31 Å²	31	54.1 Å²	54.1	26%	0.256	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	138.9	177.8	0	0	0	0	0	110.1	W279 G280	A105-W279 WeakPolarHBondContact O-CA 3.44Å; A105-W279 WeakPolarHBondContact O-CB 3.35Å; A105-G280 PolarHBondContact N-O 3.06Å
106	K	65.6	Low	64.6	Low	32 Å²	32	59.1 Å²	59.1	14%	0.139	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	132.1	163.8	-67.5	-167.7	-131.3	-156.3	0	108.3	D173 F210 H213 I248	K106-D173 VanDerWaalsContact NZ-CB 3.28Å; K106-D173 VanDerWaalsContact NZ-CG 3.35Å; K106-D173 IonicContact NZ-OD2 3.36Å; K106-D173 PolarHBondContact NZ-OD2 2.92Å; K106-F210 VanDerWaalsContact CE-CZ 3.49Å; K106-F210 VanDerWaalsContact NZ-CE1 3.31Å; K106-F210 PolarHBondContact NZ-O 3.32Å; K106-H213 HydrophobicContact CD-CB 3.75Å; K106-I248 HydrophobicContact CD-CG2 3.33Å; K106-I248 WeakPolarHBondContact CE-O 3.36Å; K106-I248 HydrophobicContact CG-CG2 3.17Å; K106-I248 PolarHBondContact NZ-O 3.1Å
107	R	75.4	Confident	61.8	Low	2 Å²	2	66.1 Å²	66.1	1%	0.008	34%	0.337	C	S	.	.	S	Bend	trans	-78.9	152.1	171.4	-71.9	168	178.7	159.2	-2.8	108.6	L109 H213 S278 W279 D283 A317 D320 D330 S393	R107-L109 VanDerWaalsContact C-N 3.31Å; R107-L109 PolarHBondContact O-N 2.87Å; R107-H213 PolarHBondContact O-NE2 2.79Å; R107-S278 PolarHBondContact N-O 3.37Å; R107-W279 PolarHBondContact NH1-O 2.82Å; R107-D283 IonicContact NE-OD1 2.92Å; R107-D283 IonicContact NE-OD2 2.71Å; R107-D283 PolarHBondContact NE-OD2 3.05Å; R107-D283 IonicContact NH2-OD1 2.93Å; R107-D283 PolarHBondContact NH2-OD1 2.82Å; R107-A317 PolarHBondContact NH1-O 3.28Å; R107-D320 WeakPolarHBondContact CA-OD2 3.31Å; R107-D320 VanDerWaalsContact CB-OD2 3.27Å; R107-D320 WeakPolarHBondContact CB-OD2 3.47Å; R107-D320 HydrophobicContact CG-CB 4.49Å; R107-D330 IonicContact CZ-OD2 3.72Å; R107-D330 IonicContact NH1-OD2 3.07Å; R107-D330 PolarHBondContact NH1-OD2 3.04Å; R107-D330 IonicContact NH2-OD2 3.26Å; R107-D330 PolarHBondContact NH2-OD2 3.48Å; R107-S393 WeakPolarHBondContact CA-OG 3.47Å; R107-S393 WeakPolarHBondContact CB-OG 3.38Å; R107-S393 PolarHBondContact O-OG 2.88Å
108	G	58.8	Low	58.8	Low	14 Å²	14	67.4 Å²	67.4	14%	0.144	35%	0.348	C	S	.	.	S	Bend	trans	71.6	1.3	165.1	0	0	0	0	0	119.7	K110 D320 S390	G108-K110 PolarHBondContact O-N 2.83Å; G108-D320 PolarHBondContact N-OD2 3.13Å; G108-S390 CarbonylContact C-O 3.57Å; G108-S390 WeakPolarHBondContact CA-O 3.27Å
109	L	55.3	Low	55.8	Low	57 Å²	57	75 Å²	75	30%	0.298	38%	0.381	S	S	.	.			trans	-67	114.2	-173.9	-174.2	68	0	0	0	113	R107 F210	R107-L109 VanDerWaalsContact C-N 3.31Å; R107-L109 PolarHBondContact O-N 2.87Å; L109-F210 HydrophobicContact CD2-CD2 3.41Å; L109-F210 VanDerWaalsContact CD2-CD2 3.41Å; L109-F210 HydrophobicContact CD2-CE2 3.41Å; L109-F210 VanDerWaalsContact CD2-CE2 3.41Å; L109-F210 HydrophobicContact CD2-CG 4.21Å; L109-F210 HydrophobicContact CD2-CZ 4.23Å
110	K	58.3	Low	53.1	Low	83 Å²	83	79.3 Å²	79.3	36%	0.361	41%	0.414	S	S	.	.			trans	-122.4	142	166.9	-68.9	178.9	-176.6	152	0	111.2	G108 R216 S390	G108-K110 PolarHBondContact O-N 2.83Å; K110-R216 PolarHBondContact O-NH1 3.24Å; K110-S390 WeakPolarHBondContact CD-OG 3.43Å; K110-S390 WeakPolarHBondContact CE-OG 3.46Å; K110-S390 PolarHBondContact NZ-OG 2.89Å
111	T	46	Very low	50.8	Low	107 Å²	107	83.1 Å²	83.1	66%	0.656	44%	0.439	S	S	*	.			trans	-81.7	145.6	175.8	39.2	0	0	0	0	112.4	D208	T111-D208 WeakPolarHBondContact CG2-O 3.49Å
112	L	42.4	Very low	48.6	Very low	51 Å²	51	88 Å²	88	27%	0.267	47%	0.471	S	S	.	.			trans	-72.2	153.7	-166.8	-78.1	163.7	0	0	0	115.5	W209 D380	L112-W209 HydrophobicContact CD1-CB 4.41Å; L112-W209 HydrophobicContact CD1-CD2 3.58Å; L112-W209 HydrophobicContact CD1-CE3 3.28Å; L112-W209 HydrophobicContact CD1-CG 4.09Å; L112-W209 HydrophobicContact CD1-CH2 4.33Å; L112-W209 HydrophobicContact CD1-CZ3 3.68Å; L112-D380 WeakPolarHBondContact CD2-OD2 3.08Å
113	S	42.7	Very low	47.3	Very low	65 Å²	65	95.2 Å²	95.2	46%	0.455	51%	0.51	S	S	.	.			trans	-146.7	140.6	145.3	91.9	0	0	0	0	110.1	R372	S113-R372 PolarHBondContact O-NH2 2.81Å; S113-R372 PolarHBondContact OG-NH1 3.28Å; S113-R372 PolarHBondContact OG-NH2 3.23Å
114	I	32.3	Very low	46.9	Very low	137 Å²	137	96.9 Å²	96.9	70%	0.703	52%	0.52	S	S	*	.			trans	-83.7	141.4	-165.4	-61.3	160.1	0	0	0	112.2
115	N	35	Very low	46.8	Very low	141 Å²	141	96.7 Å²	96.7	75%	0.754	52%	0.523	S	S	*	.			trans	-163.3	143.4	151.3	-97.2	-24.7	0	0	0	113.8
116	R	29.3	Very low	47.6	Very low	216 Å²	216	95.8 Å²	95.8	82%	0.815	52%	0.515	S	S	*	.			trans	-105.4	150.8	-177.7	-72.6	176.5	170.8	173.7	-3.1	111.9
117	H	31.9	Very low	48.7	Very low	152 Å²	152	98.9 Å²	98.9	70%	0.704	54%	0.536	S	S	*	.			trans	168	171.8	131.5	-93.4	64.3	0	0	0	112.6	Y133	H117-Y133 PolarHBondContact O-OH 2.92Å
118	S	27.4	Very low	49.6	Very low	82 Å²	82	98.9 Å²	98.9	57%	0.573	54%	0.537	S	S	*	.			trans	-126.3	156.9	-144.2	101.1	0	0	0	0	117.7
119	K	27.2	Very low	51.3	Low	163 Å²	163	100.4 Å²	100.4	71%	0.709	54%	0.544	S	S	*	.			trans	65.2	128	138.8	-66.2	-178.8	-177	-173.2	0	123.4
120	S	32.4	Very low	53.1	Low	111 Å²	111	98.8 Å²	98.8	78%	0.776	54%	0.535	S	S	*	.				-173.7	162	112.6	55	0	0	0	0	112.2
121	P	37.6	Very low	54.9	Low	121 Å²	121	95.3 Å²	95.3	79%	0.786	52%	0.52	S	S	*	.			trans	-124.3	161.6	-157.4	40	-25.6	0	0	0	117.5
122	S	30.3	Very low	57.1	Low	109 Å²	109	93.1 Å²	93.1	76%	0.762	51%	0.508	S	S	*	.			trans	174.8	155.9	132.7	49.8	0	0	0	0	114.1
123	L	49.6	Very low	59.4	Low	165 Å²	165	92.8 Å²	92.8	86%	0.864	50%	0.503	S	S	*	.	S	Bend	trans	58.4	102.7	-159.6	-156.4	74.6	0	0	0	112.9	S125	L123-S125 PolarHBondContact O-N 2.88Å
124	Q	61.7	Low	61.9	Low	165 Å²	165	89.8 Å²	89.8	77%	0.771	48%	0.482	S	S	*	.	S	Bend	trans	-62.7	63.2	-135.2	-139.7	175.3	18.8	0	0	116.2	R225	Q124-R225 PolarHBondContact O-NH2 3.15Å
125	S	75.8	Confident	64.8	Low	27 Å²	27	83.3 Å²	83.3	19%	0.189	45%	0.449	C	S	.	.			trans	-43.4	141.8	157.2	-75.1	0	0	0	0	108.8	L123 T127 Y131 K138 E154	L123-S125 PolarHBondContact O-N 2.88Å; S125-T127 PolarHBondContact O-N 2.94Å; S125-Y131 VanDerWaalsContact CB-CE1 3.45Å; S125-K138 PolarHBondContact OG-NZ 3.22Å; S125-E154 PolarHBondContact OG-OE1 3.21Å
126	P	84.8	Confident	67.7	Low	12 Å²	12	76.6 Å²	76.6	8%	0.078	41%	0.413	C	S	.	.			trans	-38.6	133.9	173.5	-28.8	30	0	0	0	112.5	D128 Y131 W157 R225 V232	P126-D128 WeakPolarHBondContact CB-OD2 3.5Å; P126-D128 PolarHBondContact O-N 2.95Å; P126-Y131 HydrophobicContact CB-CD1 4.25Å; P126-Y131 HydrophobicContact CB-CD2 3.81Å; P126-Y131 HydrophobicContact CB-CE2 4.22Å; P126-Y131 HydrophobicContact CB-CG 3.8Å; P126-Y131 HydrophobicContact CG-CD1 4.33Å; P126-Y131 HydrophobicContact CG-CD2 3.7Å; P126-Y131 HydrophobicContact CG-CE1 4.25Å; P126-Y131 HydrophobicContact CG-CE2 3.59Å; P126-Y131 HydrophobicContact CG-CG 4.06Å; P126-W157 HydrophobicContact CG-CH2 4.49Å; P126-W157 HydrophobicContact CG-CZ3 3.91Å; P126-R225 HydrophobicContact CB-CG 4.13Å; P126-R225 HydrophobicContact CG-CG 4.13Å; P126-V232 HydrophobicContact CB-CB 4.4Å; P126-V232 HydrophobicContact CB-CG1 4.27Å; P126-V232 HydrophobicContact CG-CB 4.35Å; P126-V232 HydrophobicContact CG-CG1 3.85Å
127	T	88.8	Confident	70.8	Confident	96 Å²	96	66.4 Å²	66.4	59%	0.589	38%	0.375	S	S	*	.			trans	-78.9	-0.8	-178.2	49.3	0	0	0	0	112.8	S125	S125-T127 PolarHBondContact O-N 2.94Å
128	D	93.8	Very high	73.8	Confident	3 Å²	3	62 Å²	62	2%	0.016	35%	0.353	C	S	.	.			trans	-63.4	138.2	-173.7	-55	-63.7	0	0	0	111.1	P126 L130 Y131 G226 N227 G228	P126-D128 WeakPolarHBondContact CB-OD2 3.5Å; P126-D128 PolarHBondContact O-N 2.95Å; D128-L130 PolarHBondContact O-N 3.2Å; D128-L130 VanDerWaalsContact O-N 3.09Å; D128-Y131 WeakPolarHBondContact O-CB 3.42Å; D128-Y131 PolarHBondContact O-N 2.82Å; D128-Y131 VanDerWaalsContact O-N 3.09Å; D128-G226 VanDerWaalsContact CG-N 3.3Å; D128-G226 VanDerWaalsContact OD1-CA 3.28Å; D128-G226 WeakPolarHBondContact OD1-CA 3.25Å; D128-G226 PolarHBondContact OD1-N 2.99Å; D128-G226 VanDerWaalsContact OD1-N 3.11Å; D128-G226 WeakPolarHBondContact OD2-CA 3.43Å; D128-G226 PolarHBondContact OD2-N 2.79Å; D128-N227 PolarHBondContact OD1-N 3.41Å; D128-N227 VanDerWaalsContact OD1-N 3.11Å; D128-N227 PolarHBondContact OD1-OD1 3.11Å; D128-G228 PolarHBondContact OD1-N 3.34Å
129	P	94.4	Very high	76.9	Confident	45 Å²	45	58.2 Å²	58.2	29%	0.292	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-31.4	-167.9	-26.6	34.5	0	0	0	114.8	G228	P129-G228 VanDerWaalsContact CD-C 3.46Å; P129-G228 WeakPolarHBondContact CD-O 3.34Å; P129-G228 WeakPolarHBondContact CG-O 3.41Å
130	L	94.2	Very high	80	Confident	23 Å²	23	55 Å²	55	12%	0.12	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	1.3	-177.6	-50.2	-177.6	0	0	0	113.9	D128 P132 Y133 Q134 C230 T377 C385	D128-L130 PolarHBondContact O-N 3.2Å; D128-L130 VanDerWaalsContact O-N 3.09Å; L130-P132 VanDerWaalsContact C-N 3.29Å; L130-Y133 HydrophobicContact CB-CD2 4.39Å; L130-Y133 HydrophobicContact CD2-CD2 4.21Å; L130-Y133 HydrophobicContact CD2-CE2 4.35Å; L130-Y133 WeakPolarHBondContact O-CA 3.32Å; L130-Y133 WeakPolarHBondContact O-CB 3.29Å; L130-Y133 PolarHBondContact O-N 3.09Å; L130-Q134 PolarHBondContact O-N 3.45Å; L130-C230 WeakPolarHBondContact CA-O 3.19Å; L130-C230 WeakPolarHBondContact CB-O 3.22Å; L130-C230 WeakPolarHBondContact CG-O 3.44Å; L130-C230 PolarHBondContact N-O 3.13Å; L130-T377 HydrophobicContact CB-CG2 3.6Å; L130-T377 HydrophobicContact CD1-CG2 4.02Å; L130-T377 HydrophobicContact CG-CG2 4.45Å; L130-C385 HydrophobicContact CD1-CB 3.4Å
131	Y	94.3	Very high	82.8	Confident	11 Å²	11	51 Å²	51	4%	0.043	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-52.9	-39.6	174.8	-175.7	-106	0	0	0	113.9	S125 P126 D128 Y133 Q134 L137 K138 E154 W157 V232	S125-Y131 VanDerWaalsContact CB-CE1 3.45Å; P126-Y131 HydrophobicContact CB-CD1 4.25Å; P126-Y131 HydrophobicContact CB-CD2 3.81Å; P126-Y131 HydrophobicContact CB-CE2 4.22Å; P126-Y131 HydrophobicContact CB-CG 3.8Å; P126-Y131 HydrophobicContact CG-CD1 4.33Å; P126-Y131 HydrophobicContact CG-CD2 3.7Å; P126-Y131 HydrophobicContact CG-CE1 4.25Å; P126-Y131 HydrophobicContact CG-CE2 3.59Å; P126-Y131 HydrophobicContact CG-CG 4.06Å; D128-Y131 WeakPolarHBondContact O-CB 3.42Å; D128-Y131 PolarHBondContact O-N 2.82Å; D128-Y131 VanDerWaalsContact O-N 3.09Å; Y131-Y133 PolarHBondContact O-N 3.31Å; Y131-Q134 HydrophobicContact CD2-CB 4.46Å; Y131-Q134 WeakPolarHBondContact O-CB 3.4Å; Y131-Q134 PolarHBondContact O-N 3.24Å; Y131-L137 HydrophobicContact CE2-CB 4.27Å; Y131-L137 HydrophobicContact CE2-CD1 4.14Å; Y131-K138 HydrophobicContact CE1-CD 4.29Å; Y131-E154 VanDerWaalsContact OH-CG 3.24Å; Y131-E154 WeakPolarHBondContact OH-CG 3.47Å; Y131-E154 PolarHBondContact OH-OE1 3.24Å; Y131-W157 HydrophobicContact CE2-CH2 4.32Å; Y131-W157 HydrophobicContact CE2-CZ3 4.26Å; Y131-V232 HydrophobicContact CD2-CG1 3.64Å; Y131-V232 HydrophobicContact CE2-CG1 3.72Å
132	P	92.4	Very high	85.1	Confident	61 Å²	61	46.7 Å²	46.7	40%	0.396	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-58.8	-20.1	175	-26.1	36.6	0	0	0	114.7	L130 Q142 W143	L130-P132 VanDerWaalsContact C-N 3.29Å; P132-Q142 PolarHBondContact O-NE2 3.44Å; P132-W143 WeakPolarHBondContact O-CH2 3.43Å
133	Y	92.3	Very high	87.9	Confident	44 Å²	44	45.8 Å²	45.8	17%	0.173	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-91.5	-8.9	176.3	-58.6	-93.1	0	0	0	113.6	H117 L130 Y131 W135 W143 E373 T377 K387	H117-Y133 PolarHBondContact O-OH 2.92Å; L130-Y133 HydrophobicContact CB-CD2 4.39Å; L130-Y133 HydrophobicContact CD2-CD2 4.21Å; L130-Y133 HydrophobicContact CD2-CE2 4.35Å; L130-Y133 WeakPolarHBondContact O-CA 3.32Å; L130-Y133 WeakPolarHBondContact O-CB 3.29Å; L130-Y133 PolarHBondContact O-N 3.09Å; Y131-Y133 PolarHBondContact O-N 3.31Å; Y133-W135 PolarHBondContact O-N 2.93Å; Y133-W143 AromaticContact CD1-CH2 3.33Å; Y133-W143 HydrophobicContact CD1-CH2 3.33Å; Y133-W143 AromaticContact CD1-CZ2 3.44Å; Y133-W143 HydrophobicContact CD1-CZ2 3.44Å; Y133-W143 VanDerWaalsContact CD1-CZ2 3.44Å; Y133-W143 HydrophobicContact CD1-CZ3 4.26Å; Y133-W143 AromaticContact CE1-CH2 3.93Å; Y133-W143 HydrophobicContact CE1-CH2 3.93Å; Y133-W143 AromaticContact CE1-CZ2 3.57Å; Y133-W143 HydrophobicContact CE1-CZ2 3.57Å; Y133-W143 AromaticContact CG-CH2 3.87Å; Y133-W143 HydrophobicContact CG-CH2 3.87Å; Y133-W143 HydrophobicContact CG-CZ2 4.36Å; Y133-E373 WeakPolarHBondContact CD1-OE2 3.4Å; Y133-E373 WeakPolarHBondContact CE1-OE2 3.41Å; Y133-T377 WeakPolarHBondContact CB-OG1 3.5Å; Y133-T377 PolarHBondContact O-OG1 2.79Å; Y133-K387 HydrophobicContact CD1-CD 3.84Å; Y133-K387 HydrophobicContact CD2-CD 4.38Å; Y133-K387 HydrophobicContact CE1-CD 4.13Å; Y133-K387 HydrophobicContact CG-CD 3.98Å
134	Q	94.6	Very high	89.7	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.009	24%	0.236	C	C	.	.			trans	-84	61.5	174.3	-63.5	-177.9	-76.5	0	0	110.8	L130 Y131 Y136 L137 K138 G231 V232 T377	L130-Q134 PolarHBondContact O-N 3.45Å; Y131-Q134 HydrophobicContact CD2-CB 4.46Å; Y131-Q134 WeakPolarHBondContact O-CB 3.4Å; Y131-Q134 PolarHBondContact O-N 3.24Å; Q134-Y136 HydrophobicContact CB-CD1 4.33Å; Q134-Y136 HydrophobicContact CB-CE1 3.75Å; Q134-Y136 HydrophobicContact CG-CE1 3.9Å; Q134-Y136 PolarHBondContact NE2-OH 2.84Å; Q134-Y136 PolarHBondContact O-N 2.94Å; Q134-Y136 VanDerWaalsContact O-N 3.16Å; Q134-L137 HydrophobicContact CB-CB 4.34Å; Q134-L137 HydrophobicContact CB-CD1 3.88Å; Q134-L137 HydrophobicContact CB-CG 4.03Å; Q134-L137 HydrophobicContact CG-CD1 4.41Å; Q134-L137 WeakPolarHBondContact O-CB 3.14Å; Q134-L137 PolarHBondContact O-N 2.96Å; Q134-K138 PolarHBondContact O-N 3.24Å; Q134-K138 VanDerWaalsContact O-N 3.16Å; Q134-G231 VanDerWaalsContact OE1-CA 3.3Å; Q134-V232 PolarHBondContact NE2-O 2.95Å; Q134-T377 HydrophobicContact CG-CG2 4.03Å; Q134-T377 PolarHBondContact NE2-O 2.8Å
135	W	93.6	Very high	91	Very high	1 Å²	1	33.6 Å²	33.6	0%	0.004	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-26.3	-177.6	59.3	-95.1	0	0	0	113.1	Y133 L137 K138 N139 Q142 N346 F365 T374 G375	Y133-W135 PolarHBondContact O-N 2.93Å; W135-L137 PolarHBondContact O-N 2.9Å; W135-K138 CarbonylContact O-C 3.56Å; W135-K138 PolarHBondContact O-N 2.81Å; W135-N139 WeakPolarHBondContact O-CA 3.4Å; W135-N139 WeakPolarHBondContact O-CB 3.49Å; W135-N139 PolarHBondContact O-N 3.26Å; W135-N139 VanDerWaalsContact O-N 3.11Å; W135-Q142 HydrophobicContact CB-CG 4.18Å; W135-N346 HydrophobicContact CD2-CB 3.69Å; W135-N346 HydrophobicContact CE3-CB 3.46Å; W135-N346 VanDerWaalsContact CE3-CB 3.46Å; W135-N346 HydrophobicContact CG-CB 4.44Å; W135-N346 HydrophobicContact CH2-CB 3.83Å; W135-N346 VanDerWaalsContact CH2-N 3.34Å; W135-N346 HydrophobicContact CZ2-CB 4.06Å; W135-N346 HydrophobicContact CZ3-CB 3.55Å; W135-F365 HydrophobicContact CH2-CB 3.61Å; W135-F365 AromaticContact CH2-CD1 3.98Å; W135-F365 HydrophobicContact CH2-CD1 3.98Å; W135-F365 HydrophobicContact CH2-CG 4.05Å; W135-F365 HydrophobicContact CZ3-CB 3.73Å; W135-F365 AromaticContact CZ3-CD1 3.52Å; W135-F365 HydrophobicContact CZ3-CD1 3.52Å; W135-F365 HydrophobicContact CZ3-CE1 4.29Å; W135-F365 AromaticContact CZ3-CG 3.68Å; W135-F365 HydrophobicContact CZ3-CG 3.68Å; W135-T374 WeakPolarHBondContact CZ2-O 3.49Å; W135-T374 PolarHBondContact NE1-O 3.2Å; W135-T374 VanDerWaalsContact NE1-O 3.15Å; W135-G375 PolarHBondContact NE1-O 2.97Å
136	Y	94.7	Very high	91.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-21	174.8	60.7	-85.2	0	0	0	112.9	Q134 D150 L151 V376 T377 E398	Q134-Y136 HydrophobicContact CB-CD1 4.33Å; Q134-Y136 HydrophobicContact CB-CE1 3.75Å; Q134-Y136 HydrophobicContact CG-CE1 3.9Å; Q134-Y136 PolarHBondContact NE2-OH 2.84Å; Q134-Y136 PolarHBondContact O-N 2.94Å; Q134-Y136 VanDerWaalsContact O-N 3.16Å; Y136-D150 WeakPolarHBondContact O-CB 3.35Å; Y136-L151 HydrophobicContact CD2-CD1 4.31Å; Y136-L151 WeakPolarHBondContact O-CG 3.33Å; Y136-L151 PolarHBondContact O-N 3.04Å; Y136-V376 HydrophobicContact CD1-CG1 4.2Å; Y136-V376 HydrophobicContact CE1-CB 4.45Å; Y136-V376 HydrophobicContact CE1-CG1 3.67Å; Y136-T377 PolarHBondContact OH-O 3.19Å; Y136-E398 HydrophobicContact CD2-CG 4.02Å; Y136-E398 WeakPolarHBondContact CD2-OE1 3.24Å; Y136-E398 HydrophobicContact CE2-CG 4.15Å
137	L	95.3	Very high	92.1	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-35.1	172.6	-53.9	-176.6	0	0	0	112	Y131 Q134 W135 L151 V153 W157 V232 V234	Y131-L137 HydrophobicContact CE2-CB 4.27Å; Y131-L137 HydrophobicContact CE2-CD1 4.14Å; Q134-L137 HydrophobicContact CB-CB 4.34Å; Q134-L137 HydrophobicContact CB-CD1 3.88Å; Q134-L137 HydrophobicContact CB-CG 4.03Å; Q134-L137 HydrophobicContact CG-CD1 4.41Å; Q134-L137 WeakPolarHBondContact O-CB 3.14Å; Q134-L137 PolarHBondContact O-N 2.96Å; W135-L137 PolarHBondContact O-N 2.9Å; L137-L151 HydrophobicContact CD2-CD1 4.32Å; L137-V153 HydrophobicContact CB-CG2 3.68Å; L137-V153 HydrophobicContact CD2-CG1 4.24Å; L137-V153 HydrophobicContact CD2-CG2 3.78Å; L137-V153 HydrophobicContact CG-CG2 4.23Å; L137-W157 HydrophobicContact CD1-CH2 4.12Å; L137-V232 HydrophobicContact CD1-CG1 3.73Å; L137-V234 HydrophobicContact CD2-CG2 3.6Å
138	K	93.8	Very high	92.1	Very high	59 Å²	59	39.6 Å²	39.6	26%	0.257	23%	0.233	S	C	.	.			trans	-149.1	101.6	177.4	-171.8	-178.8	-165.9	143.9	0	111.7	S125 Y131 Q134 W135 T140 Q142 E154	S125-K138 PolarHBondContact OG-NZ 3.22Å; Y131-K138 HydrophobicContact CE1-CD 4.29Å; Q134-K138 PolarHBondContact O-N 3.24Å; Q134-K138 VanDerWaalsContact O-N 3.16Å; W135-K138 CarbonylContact O-C 3.56Å; W135-K138 PolarHBondContact O-N 2.81Å; K138-T140 HydrophobicContact CG-CG2 4.26Å; K138-T140 PolarHBondContact O-N 2.79Å; K138-Q142 PolarHBondContact O-NE2 3.19Å; K138-E154 WeakPolarHBondContact CD-OE1 3.38Å; K138-E154 WeakPolarHBondContact CD-OE2 3.47Å; K138-E154 WeakPolarHBondContact CE-OE2 3.3Å; K138-E154 IonicContact NZ-OE1 3.21Å; K138-E154 PolarHBondContact NZ-OE1 3.44Å; K138-E154 IonicContact NZ-OE2 2.71Å; K138-E154 PolarHBondContact NZ-OE2 2.92Å
139	N	92.5	Very high	92.1	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.011	23%	0.234	C	C	.	.			trans	-93.2	105	179.3	-162.5	-26.8	0	0	0	109.7	W135 G141 Q142 K146 A147 N148 L149 D150 N346	W135-N139 WeakPolarHBondContact O-CA 3.4Å; W135-N139 WeakPolarHBondContact O-CB 3.49Å; W135-N139 PolarHBondContact O-N 3.26Å; W135-N139 VanDerWaalsContact O-N 3.11Å; N139-G141 VanDerWaalsContact C-N 3.31Å; N139-G141 WeakPolarHBondContact OD1-CA 3.5Å; N139-G141 PolarHBondContact OD1-N 3.18Å; N139-Q142 PolarHBondContact OD1-OE1 3.11Å; N139-K146 PolarHBondContact ND2-O 3.36Å; N139-K146 PolarHBondContact OD1-O 2.8Å; N139-A147 CarbonylContact O-C 3.41Å; N139-A147 WeakPolarHBondContact O-CA 3.4Å; N139-N148 PolarHBondContact O-N 2.81Å; N139-L149 VanDerWaalsContact CB-O 3.23Å; N139-L149 WeakPolarHBondContact CB-O 3.22Å; N139-L149 PolarHBondContact ND2-O 3.43Å; N139-D150 HydrophobicContact CB-CB 4.01Å; N139-D150 PolarHBondContact N-OD2 2.94Å; N139-N346 PolarHBondContact ND2-O 3.47Å
140	T	92.9	Very high	92.1	Very high	96 Å²	96	39 Å²	39	59%	0.589	23%	0.227	S	C	*	.	S	Bend	trans	-90.8	5.7	174.7	57.8	0	0	0	0	112.7	K138 Q142	K138-T140 HydrophobicContact CG-CG2 4.26Å; K138-T140 PolarHBondContact O-N 2.79Å; T140-Q142 PolarHBondContact OG1-OE1 3.28Å
141	G	90.4	Very high	92.2	Very high	28 Å²	28	37.9 Å²	37.9	29%	0.289	22%	0.221	S	C	.	.	S	Bend	trans	86.8	14.7	-170.7	0	0	0	0	0	113.4	N139 G145	N139-G141 VanDerWaalsContact C-N 3.31Å; N139-G141 WeakPolarHBondContact OD1-CA 3.5Å; N139-G141 PolarHBondContact OD1-N 3.18Å; G141-G145 VanDerWaalsContact CA-O 3.25Å; G141-G145 WeakPolarHBondContact CA-O 3.33Å
142	Q	87.8	Confident	92.1	Very high	29 Å²	29	38.1 Å²	38.1	14%	0.136	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-66.2	144.1	-178.1	67.4	-84.3	53.7	0	0	111.5	P132 W135 K138 N139 T140 G144 G145	P132-Q142 PolarHBondContact O-NE2 3.44Å; W135-Q142 HydrophobicContact CB-CG 4.18Å; K138-Q142 PolarHBondContact O-NE2 3.19Å; N139-Q142 PolarHBondContact OD1-OE1 3.11Å; T140-Q142 PolarHBondContact OG1-OE1 3.28Å; Q142-G144 PolarHBondContact O-N 3.01Å; Q142-G145 PolarHBondContact O-N 2.95Å
143	W	88	Confident	92.2	Very high	90 Å²	90	35.2 Å²	35.2	34%	0.341	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	53.7	35.5	-177.8	-51.3	-67.6	0	0	0	114.8	P132 Y133 G145 N346 E373 T374	P132-W143 WeakPolarHBondContact O-CH2 3.43Å; Y133-W143 AromaticContact CD1-CH2 3.33Å; Y133-W143 HydrophobicContact CD1-CH2 3.33Å; Y133-W143 AromaticContact CD1-CZ2 3.44Å; Y133-W143 HydrophobicContact CD1-CZ2 3.44Å; Y133-W143 VanDerWaalsContact CD1-CZ2 3.44Å; Y133-W143 HydrophobicContact CD1-CZ3 4.26Å; Y133-W143 AromaticContact CE1-CH2 3.93Å; Y133-W143 HydrophobicContact CE1-CH2 3.93Å; Y133-W143 AromaticContact CE1-CZ2 3.57Å; Y133-W143 HydrophobicContact CE1-CZ2 3.57Å; Y133-W143 AromaticContact CG-CH2 3.87Å; Y133-W143 HydrophobicContact CG-CH2 3.87Å; Y133-W143 HydrophobicContact CG-CZ2 4.36Å; W143-G145 VanDerWaalsContact C-N 3.27Å; W143-G145 PolarHBondContact O-N 3.32Å; W143-N346 PolarHBondContact O-ND2 3.22Å; W143-E373 HydrophobicContact CD2-CB 4.06Å; W143-E373 HydrophobicContact CG-CB 4.09Å; W143-T374 HydrophobicContact CB-CG2 3.79Å
144	G	87.1	Confident	92.3	Very high	62 Å²	62	35.6 Å²	35.6	64%	0.639	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	79.9	8.2	-179.6	0	0	0	0	0	113.9	Q142	Q142-G144 PolarHBondContact O-N 3.01Å
145	G	88.7	Confident	92	Very high	13 Å²	13	41.6 Å²	41.6	13%	0.134	23%	0.234	C	C	.	.			trans	-63.6	164	175.7	0	0	0	0	0	112.8	G141 Q142 W143 N346	G141-G145 VanDerWaalsContact CA-O 3.25Å; G141-G145 WeakPolarHBondContact CA-O 3.33Å; Q142-G145 PolarHBondContact O-N 2.95Å; W143-G145 VanDerWaalsContact C-N 3.27Å; W143-G145 PolarHBondContact O-N 3.32Å; G145-N346 CarbonylContact C-O 3.47Å; G145-N346 VanDerWaalsContact CA-ND2 3.33Å; G145-N346 WeakPolarHBondContact CA-ND2 3.42Å; G145-N346 WeakPolarHBondContact CA-O 3.42Å; G145-N346 PolarHBondContact N-ND2 3.12Å
146	K	91.5	Very high	91.9	Very high	81 Å²	81	41.5 Å²	41.5	35%	0.352	23%	0.234	S	C	.	.			trans	-88.7	111.5	173.9	-178.2	64.5	177.3	-171.9	0	109.6	N139 N148 L149 N346 Y430	N139-K146 PolarHBondContact ND2-O 3.36Å; N139-K146 PolarHBondContact OD1-O 2.8Å; K146-N148 PolarHBondContact O-N 2.86Å; K146-L149 HydrophobicContact CB-CB 3.96Å; K146-L149 HydrophobicContact CB-CD2 4.11Å; K146-L149 HydrophobicContact CG-CB 4.13Å; K146-L149 VanDerWaalsContact O-CB 3.23Å; K146-L149 WeakPolarHBondContact O-CB 3.49Å; K146-L149 PolarHBondContact O-N 2.59Å; K146-N346 PolarHBondContact N-O 3.06Å; K146-Y430 HydrophobicContact CD-CD1 4.36Å; K146-Y430 HydrophobicContact CD-CD2 4.46Å; K146-Y430 HydrophobicContact CD-CG 4.3Å; K146-Y430 VanDerWaalsContact CE-CD1 3.41Å; K146-Y430 HydrophobicContact CG-CD1 4.42Å; K146-Y430 HydrophobicContact CG-CD2 3.81Å; K146-Y430 HydrophobicContact CG-CE2 4.29Å; K146-Y430 HydrophobicContact CG-CG 3.87Å
147	A	92.3	Very high	91.9	Very high	41 Å²	41	42.5 Å²	42.5	34%	0.339	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	137.6	178.6	0	0	0	0	0	112.3	N139 L149	N139-A147 CarbonylContact O-C 3.41Å; N139-A147 WeakPolarHBondContact O-CA 3.4Å; A147-L149 PolarHBondContact O-N 2.83Å
148	N	90.5	Very high	91.6	Very high	138 Å²	138	46.7 Å²	46.7	74%	0.738	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	13.9	-174.2	-45.5	-64.5	0	0	0	115.6	N139 K146 D150	N139-N148 PolarHBondContact O-N 2.81Å; K146-N148 PolarHBondContact O-N 2.86Å; N148-D150 PolarHBondContact O-N 3.2Å
149	L	92.9	Very high	91.4	Very high	9 Å²	9	48 Å²	48	5%	0.047	28%	0.282	C	S	.	.			trans	-93.1	83.9	164.9	-174.8	66.7	0	0	0	108.6	N139 K146 A147 G348 F365 N429	N139-L149 VanDerWaalsContact CB-O 3.23Å; N139-L149 WeakPolarHBondContact CB-O 3.22Å; N139-L149 PolarHBondContact ND2-O 3.43Å; K146-L149 HydrophobicContact CB-CB 3.96Å; K146-L149 HydrophobicContact CB-CD2 4.11Å; K146-L149 HydrophobicContact CG-CB 4.13Å; K146-L149 VanDerWaalsContact O-CB 3.23Å; K146-L149 WeakPolarHBondContact O-CB 3.49Å; K146-L149 PolarHBondContact O-N 2.59Å; A147-L149 PolarHBondContact O-N 2.83Å; L149-G348 VanDerWaalsContact CD2-CA 3.43Å; L149-F365 HydrophobicContact CD1-CE1 4.39Å; L149-F365 HydrophobicContact CD1-CZ 4.24Å; L149-F365 HydrophobicContact CD2-CE1 4.35Å; L149-F365 HydrophobicContact CG-CE1 3.88Å; L149-F365 HydrophobicContact CG-CZ 3.98Å; L149-N429 WeakPolarHBondContact CD1-O 3.45Å
150	D	94.1	Very high	91.3	Very high	26 Å²	26	50 Å²	50	14%	0.139	30%	0.303	C	S	.	.	S	Bend	trans	-147.2	176.1	179.4	51.7	57.8	0	0	0	109.6	Y136 N139 N148 N152 F365	Y136-D150 WeakPolarHBondContact O-CB 3.35Å; N139-D150 HydrophobicContact CB-CB 4.01Å; N139-D150 PolarHBondContact N-OD2 2.94Å; N148-D150 PolarHBondContact O-N 3.2Å; D150-N152 PolarHBondContact O-N 3.01Å; D150-N152 WeakPolarHBondContact OD1-CA 3.34Å; D150-N152 PolarHBondContact OD1-N 3.12Å; D150-F365 VanDerWaalsContact C-CE2 3.48Å
151	L	95.8	Very high	91.3	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	29%	0.285	C	S	.	.			trans	-72.1	-0.8	-179.1	-66.6	173.1	0	0	0	113.4	Y136 L137 V153 V234 T364 F365 E398 V402 I480 L481 A483	Y136-L151 HydrophobicContact CD2-CD1 4.31Å; Y136-L151 WeakPolarHBondContact O-CG 3.33Å; Y136-L151 PolarHBondContact O-N 3.04Å; L137-L151 HydrophobicContact CD2-CD1 4.32Å; L151-V153 HydrophobicContact CB-CG1 3.71Å; L151-V153 PolarHBondContact O-N 3.33Å; L151-V234 HydrophobicContact CD1-CG2 4.12Å; L151-T364 HydrophobicContact CD2-CG2 3.84Å; L151-F365 HydrophobicContact CD2-CD2 3.94Å; L151-F365 HydrophobicContact CD2-CE2 3.9Å; L151-F365 HydrophobicContact CG-CD2 3.84Å; L151-F365 HydrophobicContact CG-CE2 3.91Å; L151-E398 HydrophobicContact CD1-CB 3.98Å; L151-E398 HydrophobicContact CD1-CG 4.18Å; L151-V402 HydrophobicContact CD1-CG2 4.42Å; L151-V402 HydrophobicContact CD2-CG2 4.47Å; L151-I480 HydrophobicContact CD2-CG2 4.19Å; L151-L481 HydrophobicContact CD2-CB 4.3Å; L151-L481 WeakPolarHBondContact CD2-O 3.08Å; L151-A483 WeakPolarHBondContact O-CB 3.48Å; L151-A483 PolarHBondContact O-N 3.39Å
152	N	93.9	Very high	91.4	Very high	16 Å²	16	47.4 Å²	47.4	9%	0.086	28%	0.275	C	S	.	.			trans	57.5	30.4	-179.8	-163	19.6	0	0	0	113.6	D150 E154 K155 D482 A484	D150-N152 PolarHBondContact O-N 3.01Å; D150-N152 WeakPolarHBondContact OD1-CA 3.34Å; D150-N152 PolarHBondContact OD1-N 3.12Å; N152-E154 PolarHBondContact O-N 2.88Å; N152-K155 PolarHBondContact ND2-NZ 3.15Å; N152-K155 PolarHBondContact O-N 3.47Å; N152-K155 WeakPolarHBondContact OD1-CD 2.96Å; N152-K155 WeakPolarHBondContact OD1-CE 3.49Å; N152-K155 WeakPolarHBondContact OD1-CG 3.41Å; N152-K155 PolarHBondContact OD1-NZ 3.06Å; N152-D482 WeakPolarHBondContact CB-OD1 3.47Å; N152-D482 VanDerWaalsContact ND2-CG 3.33Å; N152-D482 PolarHBondContact ND2-OD1 3.48Å; N152-D482 PolarHBondContact ND2-OD2 3.21Å; N152-A484 HydrophobicContact CB-CB 4.49Å; N152-A484 WeakPolarHBondContact ND2-CB 3.42Å
153	V	94.6	Very high	91.7	Very high	0 Å²	0	46 Å²	46	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-69.8	-31.8	-174.8	-64	0	0	0	0	113.2	L137 L151 K155 A156 W157 V234 A483	L137-V153 HydrophobicContact CB-CG2 3.68Å; L137-V153 HydrophobicContact CD2-CG1 4.24Å; L137-V153 HydrophobicContact CD2-CG2 3.78Å; L137-V153 HydrophobicContact CG-CG2 4.23Å; L151-V153 HydrophobicContact CB-CG1 3.71Å; L151-V153 PolarHBondContact O-N 3.33Å; V153-K155 PolarHBondContact O-N 2.76Å; V153-A156 WeakPolarHBondContact O-CB 3.42Å; V153-A156 PolarHBondContact O-N 3.21Å; V153-W157 HydrophobicContact CB-CD2 4.44Å; V153-W157 HydrophobicContact CB-CH2 4.46Å; V153-W157 HydrophobicContact CB-CZ2 3.97Å; V153-W157 HydrophobicContact CG2-CD2 4.5Å; V153-W157 HydrophobicContact CG2-CH2 3.71Å; V153-W157 HydrophobicContact CG2-CZ2 3.68Å; V153-W157 HydrophobicContact CG2-CZ3 4.14Å; V153-W157 PolarHBondContact O-N 2.61Å; V153-V234 HydrophobicContact CG1-CG1 3.85Å; V153-A483 HydrophobicContact CG1-CB 3.88Å
154	E	92.4	Very high	91.8	Very high	53 Å²	53	48.2 Å²	48.2	25%	0.248	28%	0.281	C	S	.	.	H	α-helix	trans	-60.8	-33.8	179.4	-76.3	-164	154.8	0	0	111.3	S125 Y131 K138 N152 W157 A158	S125-E154 PolarHBondContact OG-OE1 3.21Å; Y131-E154 VanDerWaalsContact OH-CG 3.24Å; Y131-E154 WeakPolarHBondContact OH-CG 3.47Å; Y131-E154 PolarHBondContact OH-OE1 3.24Å; K138-E154 WeakPolarHBondContact CD-OE1 3.38Å; K138-E154 WeakPolarHBondContact CD-OE2 3.47Å; K138-E154 WeakPolarHBondContact CE-OE2 3.3Å; K138-E154 IonicContact NZ-OE1 3.21Å; K138-E154 PolarHBondContact NZ-OE1 3.44Å; K138-E154 IonicContact NZ-OE2 2.71Å; K138-E154 PolarHBondContact NZ-OE2 2.92Å; N152-E154 PolarHBondContact O-N 2.88Å; E154-W157 HydrophobicContact CG-CE3 4.09Å; E154-W157 HydrophobicContact CG-CZ3 4.08Å; E154-A158 WeakPolarHBondContact O-CB 3.06Å; E154-A158 PolarHBondContact O-N 3.47Å
155	K	90	Very high	91.9	Very high	127 Å²	127	51.1 Å²	51.1	55%	0.552	28%	0.282	S	S	*	.	H	α-helix	trans	-71.1	-41.3	174.5	-67.5	-170.2	-155.5	132.2	0	111.5	N152 V153 W157 A158 L159 A484	N152-K155 PolarHBondContact ND2-NZ 3.15Å; N152-K155 PolarHBondContact O-N 3.47Å; N152-K155 WeakPolarHBondContact OD1-CD 2.96Å; N152-K155 WeakPolarHBondContact OD1-CE 3.49Å; N152-K155 WeakPolarHBondContact OD1-CG 3.41Å; N152-K155 PolarHBondContact OD1-NZ 3.06Å; V153-K155 PolarHBondContact O-N 2.76Å; K155-W157 VanDerWaalsContact C-N 3.31Å; K155-W157 PolarHBondContact O-N 3.23Å; K155-A158 PolarHBondContact O-N 3.25Å; K155-L159 WeakPolarHBondContact O-CG 3.47Å; K155-L159 PolarHBondContact O-N 3.4Å; K155-A484 HydrophobicContact CB-CB 3.66Å
156	A	91.5	Very high	92.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.6	-41.3	173.9	0	0	0	0	0	111.7	V153 L159 G160 Y161 L405 A483 V487	V153-A156 WeakPolarHBondContact O-CB 3.42Å; V153-A156 PolarHBondContact O-N 3.21Å; A156-L159 WeakPolarHBondContact O-CB 3.25Å; A156-L159 PolarHBondContact O-N 3.27Å; A156-G160 PolarHBondContact O-N 3.26Å; A156-Y161 PolarHBondContact O-N 3.08Å; A156-L405 HydrophobicContact CB-CD1 4.06Å; A156-A483 HydrophobicContact CB-CB 4.1Å; A156-V487 HydrophobicContact CB-CG1 4.38Å; A156-V487 HydrophobicContact CB-CG2 4.04Å
157	W	94.2	Very high	92.4	Very high	20 Å²	20	47.2 Å²	47.2	8%	0.076	26%	0.262	C	S	.	.	H	α-helix	trans	-66.3	-37.8	174.6	-59.3	-17.7	0	0	0	112.7	P126 Y131 L137 V153 E154 K155 L159 G160 Y161 V232 G233 V234 Y236	P126-W157 HydrophobicContact CG-CH2 4.49Å; P126-W157 HydrophobicContact CG-CZ3 3.91Å; Y131-W157 HydrophobicContact CE2-CH2 4.32Å; Y131-W157 HydrophobicContact CE2-CZ3 4.26Å; L137-W157 HydrophobicContact CD1-CH2 4.12Å; V153-W157 HydrophobicContact CB-CD2 4.44Å; V153-W157 HydrophobicContact CB-CH2 4.46Å; V153-W157 HydrophobicContact CB-CZ2 3.97Å; V153-W157 HydrophobicContact CG2-CD2 4.5Å; V153-W157 HydrophobicContact CG2-CH2 3.71Å; V153-W157 HydrophobicContact CG2-CZ2 3.68Å; V153-W157 HydrophobicContact CG2-CZ3 4.14Å; V153-W157 PolarHBondContact O-N 2.61Å; E154-W157 HydrophobicContact CG-CE3 4.09Å; E154-W157 HydrophobicContact CG-CZ3 4.08Å; K155-W157 VanDerWaalsContact C-N 3.31Å; K155-W157 PolarHBondContact O-N 3.23Å; W157-L159 PolarHBondContact O-N 2.94Å; W157-G160 WeakPolarHBondContact O-CA 3.32Å; W157-G160 PolarHBondContact O-N 2.91Å; W157-Y161 WeakPolarHBondContact CA-O 3.21Å; W157-Y161 VanDerWaalsContact CD1-O 3.25Å; W157-V232 HydrophobicContact CH2-CG1 3.55Å; W157-V232 HydrophobicContact CH2-CG2 4.39Å; W157-V232 HydrophobicContact CZ2-CG1 4.3Å; W157-V232 HydrophobicContact CZ3-CG1 4.29Å; W157-G233 WeakPolarHBondContact CZ2-O 3.35Å; W157-V234 PolarHBondContact NE1-O 3.41Å; W157-Y236 AromaticContact CD1-CE1 3.7Å; W157-Y236 HydrophobicContact CD2-CD1 4.32Å; W157-Y236 AromaticContact CD2-CE1 3.7Å; W157-Y236 HydrophobicContact CD2-CE1 3.7Å; W157-Y236 AromaticContact CE2-CD1 3.79Å; W157-Y236 AromaticContact CE2-CE1 3.61Å; W157-Y236 HydrophobicContact CE3-CE1 4.39Å; W157-Y236 AromaticContact CG-CE1 3.73Å; W157-Y236 HydrophobicContact CG-CE1 3.73Å; W157-Y236 HydrophobicContact CZ2-CD1 4.01Å; W157-Y236 HydrophobicContact CZ2-CE1 4.23Å; W157-Y236 AromaticContact NE1-CD1 3.82Å; W157-Y236 AromaticContact NE1-CE1 3.59Å
158	A	89.4	Confident	92.5	Very high	90 Å²	90	45.2 Å²	45.2	74%	0.744	25%	0.246	S	C	*	.	H	α-helix	trans	-65.5	-27.1	174.8	0	0	0	0	0	112.5	E154 K155 G160	E154-A158 WeakPolarHBondContact O-CB 3.06Å; E154-A158 PolarHBondContact O-N 3.47Å; K155-A158 PolarHBondContact O-N 3.25Å; A158-G160 PolarHBondContact O-N 3.16Å
159	L	89.6	Confident	92.7	Very high	87 Å²	87	38.7 Å²	38.7	46%	0.455	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-6.4	170.4	-65.1	169.4	0	0	0	113.1	K155 A156 W157 Y161 V487 L488	K155-L159 WeakPolarHBondContact O-CG 3.47Å; K155-L159 PolarHBondContact O-N 3.4Å; A156-L159 WeakPolarHBondContact O-CB 3.25Å; A156-L159 PolarHBondContact O-N 3.27Å; W157-L159 PolarHBondContact O-N 2.94Å; L159-Y161 HydrophobicContact CB-CD2 3.77Å; L159-Y161 HydrophobicContact CB-CE2 3.87Å; L159-V487 HydrophobicContact CD1-CG2 3.89Å; L159-L488 HydrophobicContact CD1-CD1 4.44Å; L159-L488 HydrophobicContact CD1-CD2 3.72Å; L159-L488 HydrophobicContact CD1-CG 3.85Å; L159-L488 HydrophobicContact CD2-CD2 4.42Å
160	G	90.1	Very high	92.6	Very high	45 Å²	45	38.3 Å²	38.3	46%	0.464	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.2	4.6	176.8	0	0	0	0	0	115.2	A156 W157 A158	A156-G160 PolarHBondContact O-N 3.26Å; W157-G160 WeakPolarHBondContact O-CA 3.32Å; W157-G160 PolarHBondContact O-N 2.91Å; A158-G160 PolarHBondContact O-N 3.16Å
161	Y	92.8	Very high	92.4	Very high	55 Å²	55	37 Å²	37	22%	0.216	20%	0.202	C	C	.	.			trans	-90.4	128.4	177.9	-56.1	-66	0	0	0	110.4	A156 W157 L159 E408 A409 V487	A156-Y161 PolarHBondContact O-N 3.08Å; W157-Y161 WeakPolarHBondContact CA-O 3.21Å; W157-Y161 VanDerWaalsContact CD1-O 3.25Å; L159-Y161 HydrophobicContact CB-CD2 3.77Å; L159-Y161 HydrophobicContact CB-CE2 3.87Å; Y161-E408 HydrophobicContact CD1-CB 4.41Å; Y161-E408 HydrophobicContact CD1-CG 4.16Å; Y161-A409 HydrophobicContact CD1-CB 3.85Å; Y161-A409 HydrophobicContact CE1-CB 3.5Å; Y161-A409 HydrophobicContact CE2-CB 4.24Å; Y161-A409 HydrophobicContact CG-CB 4.38Å; Y161-V487 HydrophobicContact CD2-CB 3.64Å; Y161-V487 HydrophobicContact CD2-CG1 4.03Å; Y161-V487 HydrophobicContact CD2-CG2 3.64Å; Y161-V487 HydrophobicContact CE2-CB 3.93Å; Y161-V487 HydrophobicContact CE2-CG2 4Å; Y161-V487 HydrophobicContact CG-CB 4.21Å; Y161-V487 HydrophobicContact CG-CG1 4.16Å
162	T	93.2	Very high	91.9	Very high	13 Å²	13	37.1 Å²	37.1	8%	0.08	20%	0.202	C	C	.	.	S	Bend	trans	-139.9	1.6	-171	61.2	0	0	0	0	113.7	A235 Y236 N237 E408	T162-A235 CarbonylContact O-C 3.56Å; T162-A235 VanDerWaalsContact O-CA 3.29Å; T162-A235 WeakPolarHBondContact O-CA 3.39Å; T162-Y236 HydrophobicContact CG2-CE1 3.94Å; T162-Y236 HydrophobicContact CG2-CE2 3.76Å; T162-Y236 WeakPolarHBondContact CG2-OH 3.46Å; T162-Y236 PolarHBondContact O-N 3.38Å; T162-N237 WeakPolarHBondContact CB-ND2 3.48Å; T162-N237 PolarHBondContact O-N 3.46Å; T162-N237 WeakPolarHBondContact OG1-CB 3.29Å; T162-N237 PolarHBondContact OG1-ND2 2.71Å; T162-E408 PolarHBondContact N-OE2 3.26Å
163	G	93.3	Very high	91.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.201	C	C	.	.			trans	90.7	10.7	-175.8	0	0	0	0	0	113.9	N165 V166 S238 E408	G163-N165 PolarHBondContact O-N 3Å; G163-V166 WeakPolarHBondContact O-CB 3.47Å; G163-V166 PolarHBondContact O-N 3.46Å; G163-S238 WeakPolarHBondContact O-CA 3.49Å; G163-E408 WeakPolarHBondContact CA-OE2 3.28Å; G163-E408 PolarHBondContact N-OE2 3.35Å
164	K	90.6	Very high	90.8	Very high	136 Å²	136	36.8 Å²	36.8	59%	0.591	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	136.9	-169.9	-170.1	-179.4	177.1	-179.6	0	111.4	V166 N237 E408	K164-V166 PolarHBondContact O-N 2.88Å; K164-N237 HydrophobicContact CB-CB 4.41Å; K164-E408 HydrophobicContact CB-CG 4.5Å; K164-E408 VanDerWaalsContact CB-OE1 3.24Å; K164-E408 WeakPolarHBondContact CB-OE1 3.42Å; K164-E408 VanDerWaalsContact N-CD 3.33Å; K164-E408 PolarHBondContact N-OE2 2.87Å
165	N	89.7	Confident	90.5	Very high	124 Å²	124	34.5 Å²	34.5	66%	0.663	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.9	23.9	177.4	-158.9	46.2	0	0	0	113.9	G163 R411	G163-N165 PolarHBondContact O-N 3Å; N165-R411 PolarHBondContact O-NH1 2.91Å; N165-R411 PolarHBondContact O-NH2 2.9Å
166	V	95.1	Very high	90.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.165	C	C	.	.			trans	-105.6	138.4	167.7	-177.3	0	0	0	0	108.1	G163 K164 S238 K239 D273 I274 A404 L407 E408	G163-V166 WeakPolarHBondContact O-CB 3.47Å; G163-V166 PolarHBondContact O-N 3.46Å; K164-V166 PolarHBondContact O-N 2.88Å; V166-S238 PolarHBondContact O-OG 2.86Å; V166-K239 PolarHBondContact O-N 3.47Å; V166-D273 WeakPolarHBondContact CA-OD2 3.46Å; V166-D273 HydrophobicContact CG1-CB 3.92Å; V166-I274 HydrophobicContact CG1-CD1 4.1Å; V166-A404 HydrophobicContact CB-CB 4.06Å; V166-A404 HydrophobicContact CG1-CB 3.71Å; V166-A404 HydrophobicContact CG2-CB 4.38Å; V166-A404 WeakPolarHBondContact CG2-O 3.27Å; V166-L407 HydrophobicContact CG1-CB 4.46Å; V166-L407 HydrophobicContact CG1-CD1 3.89Å; V166-L407 HydrophobicContact CG2-CB 3.86Å; V166-E408 HydrophobicContact CG2-CB 4.49Å
167	T	94.8	Very high	90.2	Very high	11 Å²	11	30.8 Å²	30.8	7%	0.067	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	115.6	177.9	-61.2	0	0	0	0	110.3	A190 K239 I241 L271 I272 D273 I274	T167-A190 HydrophobicContact CG2-CB 4.27Å; T167-K239 CarbonylContact C-O 3.45Å; T167-K239 VanDerWaalsContact CA-O 3.3Å; T167-K239 WeakPolarHBondContact CA-O 3.39Å; T167-I241 HydrophobicContact CG2-CB 4.24Å; T167-I241 HydrophobicContact CG2-CG1 3.56Å; T167-I241 HydrophobicContact CG2-CG2 3.62Å; T167-L271 WeakPolarHBondContact CB-O 3.48Å; T167-L271 PolarHBondContact OG1-O 2.88Å; T167-I272 HydrophobicContact CG2-CG1 4.24Å; T167-D273 PolarHBondContact N-OD2 2.98Å; T167-D273 WeakPolarHBondContact O-CB 3.42Å; T167-D273 PolarHBondContact O-N 3.5Å; T167-I274 PolarHBondContact O-N 3.25Å
168	T	94.9	Very high	89.9	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	120.7	176.7	-58.8	0	0	0	0	110.4	I170 V221 K239 I241 I274 A400	T168-I170 HydrophobicContact CG2-CD1 4.33Å; T168-V221 HydrophobicContact CG2-CG1 4.11Å; T168-V221 HydrophobicContact CG2-CG2 4.39Å; T168-K239 PolarHBondContact N-O 3.31Å; T168-I241 PolarHBondContact O-N 3.26Å; T168-I274 CarbonylContact C-O 3.59Å; T168-I274 WeakPolarHBondContact CA-O 3.45Å; T168-I274 HydrophobicContact CG2-CB 4.18Å; T168-I274 HydrophobicContact CG2-CG2 4.25Å; T168-A400 HydrophobicContact CG2-CB 4.06Å
169	A	93.4	Very high	90.1	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	118.2	172.9	0	0	0	0	0	110.8	I241 I272 I274 Y275 S276	A169-I241 WeakPolarHBondContact CA-O 3.41Å; A169-I241 HydrophobicContact CB-CD1 3.6Å; A169-I241 HydrophobicContact CB-CG1 4.1Å; A169-I272 HydrophobicContact CB-CD1 3.95Å; A169-I272 HydrophobicContact CB-CG1 4.47Å; A169-I272 HydrophobicContact CB-CG2 3.59Å; A169-I274 PolarHBondContact N-O 3.31Å; A169-Y275 HydrophobicContact CB-CD1 3.69Å; A169-Y275 HydrophobicContact CB-CE1 4.15Å; A169-Y275 HydrophobicContact CB-CG 4.28Å; A169-S276 PolarHBondContact O-N 3.28Å
170	I	91.1	Very high	90.2	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	122.5	163.7	-55.5	-54.4	0	0	0	107.5	T168 D172 C217 A218 V221 I241 M242 A243	T168-I170 HydrophobicContact CG2-CD1 4.33Å; I170-D172 HydrophobicContact CG2-CB 3.8Å; I170-C217 HydrophobicContact CD1-CB 4.38Å; I170-C217 HydrophobicContact CG2-CB 4.02Å; I170-A218 HydrophobicContact CG1-CB 4.04Å; I170-V221 HydrophobicContact CD1-CG2 4.08Å; I170-I241 PolarHBondContact N-O 2.69Å; I170-M242 HydrophobicContact CB-CE 4.27Å; I170-M242 HydrophobicContact CB-SD 3.58Å; I170-M242 VanDerWaalsContact CB-SD 3.58Å; I170-M242 HydrophobicContact CG2-CE 3.89Å; I170-M242 HydrophobicContact CG2-SD 3.89Å; I170-A243 PolarHBondContact O-N 2.84Å
171	M	89.4	Confident	90.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.131	C	C	.	.			trans	-100.7	77	179.9	-76.7	-164.5	-50.8	0	0	109.3	I245 M265 Y275 S276 A277 W279 W316	M171-I245 HydrophobicContact CB-CD1 3.64Å; M171-I245 HydrophobicContact CB-CG1 4.1Å; M171-I245 HydrophobicContact CG-CD1 4.16Å; M171-I245 HydrophobicContact SD-CD1 4.18Å; M171-M265 HydrophobicContact CE-CG 4.28Å; M171-M265 HydrophobicContact SD-CG 3.91Å; M171-Y275 HydrophobicContact CG-CD1 4.18Å; M171-Y275 HydrophobicContact SD-CD1 3.71Å; M171-Y275 HydrophobicContact SD-CG 4.25Å; M171-S276 WeakPolarHBondContact CB-O 3.22Å; M171-S276 PolarHBondContact N-O 3.15Å; M171-A277 HydrophobicContact CE-CB 3.68Å; M171-W279 PolarHBondContact O-NE1 3.05Å; M171-W316 HydrophobicContact CE-CH2 4.38Å; M171-W316 HydrophobicContact CE-CZ3 4.02Å
172	D	86.5	Confident	90.4	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	12%	0.122	C	C	.	.	S	Bend	trans	-143.3	-152	-169.9	-143.5	-62	0	0	0	114.6	I170 G174 H213 M242 I245 I248	I170-D172 HydrophobicContact CG2-CB 3.8Å; D172-G174 PolarHBondContact O-N 3.38Å; D172-H213 VanDerWaalsContact CG-ND1 3.35Å; D172-H213 IonicContact OD1-CG 3.75Å; D172-H213 IonicContact OD1-ND1 2.95Å; D172-H213 PolarHBondContact OD1-ND1 3.35Å; D172-H213 IonicContact OD2-CE1 3.59Å; D172-H213 PolarHBondContact OD2-CE1 3.2Å; D172-H213 IonicContact OD2-CG 3.44Å; D172-H213 IonicContact OD2-ND1 3.89Å; D172-H213 PolarHBondContact OD2-ND1 3.3Å; D172-M242 HydrophobicContact CB-CE 3.64Å; D172-I245 PolarHBondContact O-N 3.39Å; D172-I248 WeakPolarHBondContact OD1-CG2 3.38Å
173	D	80.7	Confident	90.2	Very high	9 Å²	9	30.5 Å²	30.5	5%	0.048	14%	0.143	C	C	.	.	S	Bend	trans	-84.6	6	-173.2	60.9	7.1	0	0	0	116.9	K106 N211 H213 G214 I248	K106-D173 VanDerWaalsContact NZ-CB 3.28Å; K106-D173 VanDerWaalsContact NZ-CG 3.35Å; K106-D173 IonicContact NZ-OD2 3.36Å; K106-D173 PolarHBondContact NZ-OD2 2.92Å; D173-N211 WeakPolarHBondContact OD2-CA 3.37Å; D173-H213 WeakPolarHBondContact OD2-CB 3.38Å; D173-H213 PolarHBondContact OD2-N 3.01Å; D173-H213 VanDerWaalsContact OD2-N 3.08Å; D173-G214 WeakPolarHBondContact OD1-CA 3.44Å; D173-G214 PolarHBondContact OD1-N 2.8Å; D173-I248 HydrophobicContact CB-CB 3.95Å; D173-I248 HydrophobicContact CB-CG2 3.94Å; D173-I248 WeakPolarHBondContact CB-O 3.45Å
174	G	84	Confident	90.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.167	C	C	.	.			trans	112	148.7	-174	0	0	0	0	0	112.5	D172 P201 M242	D172-G174 PolarHBondContact O-N 3.38Å; G174-P201 CarbonylContact C-O 3.18Å; G174-P201 VanDerWaalsContact CA-O 3.27Å; G174-P201 WeakPolarHBondContact CA-O 3.49Å; G174-M242 VanDerWaalsContact CA-CE 3.45Å
175	V	86.7	Confident	90.2	Very high	6 Å²	6	28.8 Å²	28.8	4%	0.036	14%	0.141	C	C	.	.			trans	-116.7	128.7	178	161.9	0	0	0	0	107.7	Y177 L182 P201 P203 G214 A218 M242	V175-Y177 WeakPolarHBondContact O-CD1 3.46Å; V175-Y177 PolarHBondContact O-N 2.95Å; V175-L182 HydrophobicContact CG1-CD1 4.05Å; V175-P201 PolarHBondContact N-O 2.78Å; V175-P203 VanDerWaalsContact O-CD 3.22Å; V175-P203 WeakPolarHBondContact O-CD 3.42Å; V175-G214 WeakPolarHBondContact CG2-O 3.33Å; V175-A218 HydrophobicContact CG1-CB 4.06Å; V175-A218 HydrophobicContact CG2-CB 3.63Å; V175-M242 HydrophobicContact CB-CB 3.94Å; V175-M242 HydrophobicContact CB-CE 4.43Å; V175-M242 HydrophobicContact CB-CG 3.85Å; V175-M242 HydrophobicContact CB-SD 3.99Å; V175-M242 HydrophobicContact CG2-CB 4.14Å; V175-M242 HydrophobicContact CG2-CE 3.66Å; V175-M242 HydrophobicContact CG2-CG 3.85Å; V175-M242 HydrophobicContact CG2-SD 3.29Å; V175-M242 WeakPolarHBondContact CG2-SD 3.41Å
176	D	89.7	Confident	90.2	Very high	3 Å²	3	25 Å²	25	2%	0.016	12%	0.118	C	C	.	.			trans	-66.4	80.2	167.5	-177.2	-4.2	0	0	0	108.2	M178 H179 Y202 P203 T215 L381 Y382	D176-M178 PolarHBondContact O-N 3.1Å; D176-M178 PolarHBondContact OD1-N 3.07Å; D176-H179 HydrophobicContact CB-CB 4.25Å; D176-H179 WeakPolarHBondContact O-CB 3.44Å; D176-H179 PolarHBondContact O-N 3.29Å; D176-H179 PolarHBondContact OD1-N 2.94Å; D176-Y202 HydrophobicContact CB-CE2 4.27Å; D176-Y202 WeakPolarHBondContact OD1-CE2 3.42Å; D176-Y202 PolarHBondContact OD1-OH 3.21Å; D176-P203 HydrophobicContact CB-CG 4.15Å; D176-T215 HydrophobicContact CB-CG2 3.91Å; D176-T215 PolarHBondContact N-OG1 2.86Å; D176-L381 HydrophobicContact CB-CD2 4.12Å; D176-Y382 WeakPolarHBondContact OD2-CA 3.36Å; D176-Y382 PolarHBondContact OD2-N 2.92Å
177	Y	84.6	Confident	89.7	Confident	46 Å²	46	26.6 Å²	26.6	18%	0.18	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-7.2	179.7	58.3	-104.7	0	0	0	112.2	V175 R183 Y186 P201 Y202	V175-Y177 WeakPolarHBondContact O-CD1 3.46Å; V175-Y177 PolarHBondContact O-N 2.95Å; Y177-R183 VanDerWaalsContact O-CA 3.24Å; Y177-R183 WeakPolarHBondContact O-CA 3.49Å; Y177-R183 VanDerWaalsContact O-CB 3.24Å; Y177-R183 WeakPolarHBondContact O-CB 3.38Å; Y177-Y186 VanDerWaalsContact CB-CD2 3.43Å; Y177-Y186 HydrophobicContact CD1-CE1 4.43Å; Y177-Y186 HydrophobicContact CD1-CE2 4.21Å; Y177-Y186 AromaticContact CD1-CZ 3.99Å; Y177-Y186 HydrophobicContact CD2-CD1 4.29Å; Y177-Y186 HydrophobicContact CD2-CE1 4.1Å; Y177-Y186 HydrophobicContact CG-CD1 4.18Å; Y177-Y186 HydrophobicContact CG-CD2 4.3Å; Y177-Y186 AromaticContact CG-CE1 3.94Å; Y177-Y186 HydrophobicContact CG-CE1 3.94Å; Y177-Y186 HydrophobicContact CG-CE2 4.08Å; Y177-Y186 HydrophobicContact CG-CG 4.34Å; Y177-Y186 AromaticContact CG-CZ 3.89Å; Y177-P201 HydrophobicContact CD1-CG 4.49Å; Y177-Y202 HydrophobicContact CD1-CD2 4.15Å; Y177-Y202 AromaticContact CE1-CD2 3.79Å; Y177-Y202 HydrophobicContact CE1-CD2 3.79Å; Y177-Y202 HydrophobicContact CE1-CG 4.22Å; Y177-Y202 HydrophobicContact CE2-CD2 4.41Å; Y177-Y202 AromaticContact CZ-CD2 3.92Å
178	M	89.7	Confident	89.2	Confident	113 Å²	113	29 Å²	29	56%	0.557	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-8.2	170	-62	-166.3	-69.6	0	0	112.1	D176 Y202	D176-M178 PolarHBondContact O-N 3.1Å; D176-M178 PolarHBondContact OD1-N 3.07Å; M178-Y202 HydrophobicContact CB-CE2 4.29Å; M178-Y202 HydrophobicContact CE-CD2 3.97Å; M178-Y202 HydrophobicContact CE-CE2 3.31Å; M178-Y202 HydrophobicContact CG-CE2 4.18Å
179	H	91.9	Very high	88.6	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-53.2	126.3	176.6	-169.1	-81.7	0	0	0	109.5	D176 D181 L182 R183 D380 G383 Q384	D176-H179 HydrophobicContact CB-CB 4.25Å; D176-H179 WeakPolarHBondContact O-CB 3.44Å; D176-H179 PolarHBondContact O-N 3.29Å; D176-H179 PolarHBondContact OD1-N 2.94Å; H179-D181 WeakPolarHBondContact CE1-CB 3.15Å; H179-D181 WeakPolarHBondContact ND1-CB 3.29Å; H179-D181 PolarHBondContact ND1-N 2.8Å; H179-D181 VanDerWaalsContact ND1-N 3.13Å; H179-D181 PolarHBondContact O-N 2.92Å; H179-L182 HydrophobicContact CB-CB 4.19Å; H179-L182 HydrophobicContact CB-CD1 4.17Å; H179-L182 HydrophobicContact CB-CG 4.31Å; H179-L182 PolarHBondContact O-N 3.22Å; H179-R183 WeakPolarHBondContact O-CB 3.44Å; H179-R183 PolarHBondContact O-N 3.4Å; H179-D380 PolarHBondContact CD2-O 2.77Å; H179-D380 PolarHBondContact NE2-O 2.88Å; H179-G383 WeakPolarHBondContact CD2-CA 3.44Å; H179-G383 PolarHBondContact CD2-N 3.2Å; H179-G383 VanDerWaalsContact NE2-C 3.3Å; H179-G383 VanDerWaalsContact NE2-CA 3.32Å; H179-G383 WeakPolarHBondContact NE2-CA 3.3Å; H179-Q384 PolarHBondContact NE2-O 2.89Å
180	P	93.1	Very high	88.1	Confident	43 Å²	43	32.6 Å²	32.6	28%	0.279	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-25.1	-175.9	-30.8	37.7	0	0	0	114.7	I229	P180-I229 HydrophobicContact CB-CD1 3.34Å; P180-I229 HydrophobicContact CG-CD1 4.36Å
181	D	94.5	Very high	87.9	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-8.9	179.9	-151.6	20	0	0	0	114.4	H179 A223 L224 N227 I229 C230 T379	H179-D181 WeakPolarHBondContact CE1-CB 3.15Å; H179-D181 WeakPolarHBondContact ND1-CB 3.29Å; H179-D181 PolarHBondContact ND1-N 2.8Å; H179-D181 VanDerWaalsContact ND1-N 3.13Å; H179-D181 PolarHBondContact O-N 2.92Å; D181-A223 WeakPolarHBondContact O-CA 3.38Å; D181-A223 WeakPolarHBondContact OD2-CB 3.38Å; D181-L224 WeakPolarHBondContact O-CG 3.41Å; D181-L224 PolarHBondContact O-N 2.92Å; D181-L224 PolarHBondContact OD1-N 2.64Å; D181-L224 VanDerWaalsContact OD1-N 3.15Å; D181-N227 PolarHBondContact OD1-ND2 3.48Å; D181-N227 PolarHBondContact OD1-OD1 2.85Å; D181-I229 HydrophobicContact CB-CB 4.42Å; D181-I229 HydrophobicContact CB-CG2 4.01Å; D181-C230 WeakPolarHBondContact OD2-CB 3.4Å; D181-T379 HydrophobicContact CB-CG2 3.81Å; D181-T379 WeakPolarHBondContact OD2-CG2 3.39Å
182	L	92.3	Very high	87.6	Confident	5 Å²	5	35.6 Å²	35.6	3%	0.026	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-29.4	-177.9	-67	175.7	0	0	0	113.6	V175 H179 D184 N185 Y186 T215 A218 T379	V175-L182 HydrophobicContact CG1-CD1 4.05Å; H179-L182 HydrophobicContact CB-CB 4.19Å; H179-L182 HydrophobicContact CB-CD1 4.17Å; H179-L182 HydrophobicContact CB-CG 4.31Å; H179-L182 PolarHBondContact O-N 3.22Å; L182-D184 VanDerWaalsContact C-N 3.25Å; L182-D184 PolarHBondContact O-N 2.96Å; L182-D184 VanDerWaalsContact O-N 3.08Å; L182-N185 CarbonylContact O-C 3.54Å; L182-N185 WeakPolarHBondContact O-CA 3.2Å; L182-N185 PolarHBondContact O-N 3.37Å; L182-Y186 PolarHBondContact O-N 3Å; L182-T215 HydrophobicContact CD1-CG2 4.18Å; L182-A218 HydrophobicContact CD1-CB 4.08Å; L182-A218 HydrophobicContact CD2-CB 4.35Å; L182-T379 HydrophobicContact CG-CG2 4.33Å
183	R	89.5	Confident	87.4	Confident	142 Å²	142	36.5 Å²	36.5	54%	0.536	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-33.4	-168.3	67.3	179.2	-172.4	-168	-2.4	115.2	Y177 H179 N185 Y186	Y177-R183 VanDerWaalsContact O-CA 3.24Å; Y177-R183 WeakPolarHBondContact O-CA 3.49Å; Y177-R183 VanDerWaalsContact O-CB 3.24Å; Y177-R183 WeakPolarHBondContact O-CB 3.38Å; H179-R183 WeakPolarHBondContact O-CB 3.44Å; H179-R183 PolarHBondContact O-N 3.4Å; R183-N185 VanDerWaalsContact C-N 3.32Å; R183-Y186 PolarHBondContact O-N 2.97Å
184	D	90.1	Very high	87.4	Confident	93 Å²	93	36.9 Å²	36.9	50%	0.497	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-21.2	-178.3	-59.7	-19.8	0	0	0	112	L182 L224 K239	L182-D184 VanDerWaalsContact C-N 3.25Å; L182-D184 PolarHBondContact O-N 2.96Å; L182-D184 VanDerWaalsContact O-N 3.08Å; D184-L224 HydrophobicContact CB-CD1 4.01Å; D184-L224 HydrophobicContact CB-CD2 4.24Å; D184-K239 PolarHBondContact O-NZ 2.69Å
185	N	92.4	Very high	86.8	Confident	7 Å²	7	38.6 Å²	38.6	4%	0.037	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-9.1	175.4	-77.4	-19.8	0	0	0	113.2	L182 R183 N187 A222 L224 Y236 S238 K239 C240	L182-N185 CarbonylContact O-C 3.54Å; L182-N185 WeakPolarHBondContact O-CA 3.2Å; L182-N185 PolarHBondContact O-N 3.37Å; R183-N185 VanDerWaalsContact C-N 3.32Å; N185-N187 PolarHBondContact O-N 2.5Å; N185-A222 HydrophobicContact CB-CB 4.29Å; N185-A222 PolarHBondContact ND2-O 3.35Å; N185-L224 WeakPolarHBondContact ND2-CD2 3.22Å; N185-Y236 PolarHBondContact ND2-O 3.25Å; N185-S238 WeakPolarHBondContact CB-O 3.45Å; N185-S238 VanDerWaalsContact CG-O 3.31Å; N185-K239 CarbonylContact O-C 3.51Å; N185-K239 VanDerWaalsContact O-CA 3.3Å; N185-K239 WeakPolarHBondContact O-CA 3.36Å; N185-C240 PolarHBondContact O-N 3.39Å
186	Y	89.2	Confident	86	Confident	46 Å²	46	40.3 Å²	40.3	18%	0.18	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-64	128.5	175.4	-178.9	-116.3	0	0	0	111.6	Y177 L182 R183 A188 S191 P201 C240	Y177-Y186 VanDerWaalsContact CB-CD2 3.43Å; Y177-Y186 HydrophobicContact CD1-CE1 4.43Å; Y177-Y186 HydrophobicContact CD1-CE2 4.21Å; Y177-Y186 AromaticContact CD1-CZ 3.99Å; Y177-Y186 HydrophobicContact CD2-CD1 4.29Å; Y177-Y186 HydrophobicContact CD2-CE1 4.1Å; Y177-Y186 HydrophobicContact CG-CD1 4.18Å; Y177-Y186 HydrophobicContact CG-CD2 4.3Å; Y177-Y186 AromaticContact CG-CE1 3.94Å; Y177-Y186 HydrophobicContact CG-CE1 3.94Å; Y177-Y186 HydrophobicContact CG-CE2 4.08Å; Y177-Y186 HydrophobicContact CG-CG 4.34Å; Y177-Y186 AromaticContact CG-CZ 3.89Å; L182-Y186 PolarHBondContact O-N 3Å; R183-Y186 PolarHBondContact O-N 2.97Å; Y186-A188 HydrophobicContact CD1-CB 4.31Å; Y186-A188 HydrophobicContact CE1-CB 3.67Å; Y186-S191 WeakPolarHBondContact CE2-OG 3.23Å; Y186-S191 WeakPolarHBondContact OH-CB 3.24Å; Y186-S191 PolarHBondContact OH-OG 2.92Å; Y186-P201 HydrophobicContact CE2-CG 4.48Å; Y186-P201 WeakPolarHBondContact OH-CD 3.28Å; Y186-C240 VanDerWaalsContact CA-O 3.28Å; Y186-C240 WeakPolarHBondContact CA-O 3.34Å
187	N	86.1	Confident	85.3	Confident	32 Å²	32	43 Å²	43	17%	0.171	24%	0.24	C	C	.	.			trans	-113.6	103.2	170.9	160.7	18.9	0	0	0	110.7	N185 A189 S191 K239 C240 I241	N185-N187 PolarHBondContact O-N 2.5Å; N187-A189 VanDerWaalsContact C-N 3.31Å; N187-A189 PolarHBondContact O-N 3.16Å; N187-A189 WeakPolarHBondContact OD1-CB 3.34Å; N187-A189 PolarHBondContact OD1-N 3.03Å; N187-S191 PolarHBondContact O-OG 3.28Å; N187-K239 HydrophobicContact CB-CB 4.04Å; N187-K239 HydrophobicContact CB-CG 4.48Å; N187-C240 PolarHBondContact N-O 3.34Å; N187-I241 HydrophobicContact CB-CG2 3.27Å; N187-I241 WeakPolarHBondContact O-CG2 3.5Å
188	A	83.7	Confident	85.1	Confident	61 Å²	61	43.4 Å²	43.4	50%	0.504	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-66.4	-27.9	-178	0	0	0	0	0	113.6	Y186 A190 S191	Y186-A188 HydrophobicContact CD1-CB 4.31Å; Y186-A188 HydrophobicContact CE1-CB 3.67Å; A188-A190 VanDerWaalsContact C-N 3.3Å; A188-A190 PolarHBondContact O-N 2.72Å; A188-S191 PolarHBondContact O-N 3.33Å
189	A	82	Confident	84.5	Confident	76 Å²	76	41 Å²	41	63%	0.628	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-70.4	-26.9	-175.1	0	0	0	0	0	113.2	N187 L271	N187-A189 VanDerWaalsContact C-N 3.31Å; N187-A189 PolarHBondContact O-N 3.16Å; N187-A189 WeakPolarHBondContact OD1-CB 3.34Å; N187-A189 PolarHBondContact OD1-N 3.03Å; A189-L271 HydrophobicContact CB-CD2 4.2Å
190	A	83.4	Confident	84	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-98.7	-0.2	175.5	0	0	0	0	0	112.9	T167 A188 I241 H267 L271 I272	T167-A190 HydrophobicContact CG2-CB 4.27Å; A188-A190 VanDerWaalsContact C-N 3.3Å; A188-A190 PolarHBondContact O-N 2.72Å; A190-I241 HydrophobicContact CB-CB 3.99Å; A190-I241 HydrophobicContact CB-CD1 3.7Å; A190-I241 HydrophobicContact CB-CG1 3.83Å; A190-I241 HydrophobicContact CB-CG2 3.91Å; A190-I241 WeakPolarHBondContact O-CD1 3.07Å; A190-H267 PolarHBondContact O-CD2 3.5Å; A190-H267 PolarHBondContact O-NE2 3.21Å; A190-L271 HydrophobicContact CB-CD2 3.49Å; A190-L271 VanDerWaalsContact CB-CD2 3.49Å; A190-L271 HydrophobicContact CB-CG 3.82Å; A190-I272 HydrophobicContact CB-CD1 4.43Å; A190-I272 HydrophobicContact CB-CG1 3.95Å
191	S	85.7	Confident	83.6	Confident	5 Å²	5	46.2 Å²	46.2	4%	0.035	25%	0.254	C	S	.	.			trans	-97.6	140.3	-172.1	-69.8	0	0	0	0	111.1	Y186 N187 A188 I241 M242	Y186-S191 WeakPolarHBondContact CE2-OG 3.23Å; Y186-S191 WeakPolarHBondContact OH-CB 3.24Å; Y186-S191 PolarHBondContact OH-OG 2.92Å; N187-S191 PolarHBondContact O-OG 3.28Å; A188-S191 PolarHBondContact O-N 3.33Å; S191-I241 WeakPolarHBondContact OG-CB 3.37Å; S191-M242 CarbonylContact C-O 3.58Å; S191-M242 WeakPolarHBondContact CA-O 3.36Å; S191-M242 VanDerWaalsContact CB-O 3.31Å; S191-M242 WeakPolarHBondContact CB-O 3.25Å; S191-M242 PolarHBondContact OG-N 3.33Å
192	Y	83.8	Confident	83.1	Confident	60 Å²	60	49.3 Å²	49.3	24%	0.235	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	136.6	178.9	-162.9	-97.4	0	0	0	111.4	F194 N197 M242 A243 T244	Y192-F194 HydrophobicContact CD1-CB 4.43Å; Y192-F194 AromaticContact CD1-CD1 3.56Å; Y192-F194 HydrophobicContact CD1-CD1 3.56Å; Y192-F194 AromaticContact CD1-CD2 3.86Å; Y192-F194 HydrophobicContact CD1-CD2 3.86Å; Y192-F194 AromaticContact CD1-CE1 3.55Å; Y192-F194 HydrophobicContact CD1-CE1 3.55Å; Y192-F194 AromaticContact CD1-CE2 3.85Å; Y192-F194 HydrophobicContact CD1-CE2 3.85Å; Y192-F194 AromaticContact CD1-CG 3.71Å; Y192-F194 HydrophobicContact CD1-CG 3.71Å; Y192-F194 AromaticContact CD1-CZ 3.7Å; Y192-F194 HydrophobicContact CD1-CZ 3.7Å; Y192-F194 AromaticContact CE1-CD1 3.75Å; Y192-F194 HydrophobicContact CE1-CD1 3.75Å; Y192-F194 AromaticContact CE1-CE1 3.91Å; Y192-F194 HydrophobicContact CE1-CE1 3.91Å; Y192-F194 HydrophobicContact CE1-CG 4.2Å; Y192-F194 HydrophobicContact CE1-CZ 4.49Å; Y192-F194 HydrophobicContact CG-CE1 4.44Å; Y192-F194 HydrophobicContact CG-CE2 4.36Å; Y192-F194 HydrophobicContact CG-CZ 4.23Å; Y192-N197 PolarHBondContact OH-OD1 3.07Å; Y192-M242 PolarHBondContact N-O 3.32Å; Y192-A243 CarbonylContact O-C 3.51Å; Y192-A243 WeakPolarHBondContact O-CA 3.16Å; Y192-T244 PolarHBondContact O-N 2.7Å
193	D	82.3	Confident	82.6	Confident	19 Å²	19	49.1 Å²	49.1	10%	0.102	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	98.1	167	-173.9	13.4	0	0	0	110.3	S195 G196 N197 D198 P201 T244	D193-S195 PolarHBondContact O-N 3.14Å; D193-S195 WeakPolarHBondContact OD1-CA 3.28Å; D193-S195 WeakPolarHBondContact OD1-CB 3.47Å; D193-S195 PolarHBondContact OD1-N 2.99Å; D193-G196 VanDerWaalsContact CG-N 3.26Å; D193-G196 PolarHBondContact OD1-N 2.99Å; D193-G196 WeakPolarHBondContact OD2-CA 3.33Å; D193-G196 PolarHBondContact OD2-N 3.27Å; D193-N197 CarbonylContact O-C 3.54Å; D193-N197 WeakPolarHBondContact O-CA 3.24Å; D193-N197 PolarHBondContact O-N 3.15Å; D193-D198 WeakPolarHBondContact CA-O 3.39Å; D193-D198 WeakPolarHBondContact CB-O 3.25Å; D193-D198 PolarHBondContact N-O 3.36Å; D193-D198 PolarHBondContact O-N 3.17Å; D193-P201 HydrophobicContact CB-CB 4.36Å; D193-T244 VanDerWaalsContact OD1-CB 3.31Å; D193-T244 WeakPolarHBondContact OD1-CB 3.26Å; D193-T244 VanDerWaalsContact OD1-CG2 3.3Å; D193-T244 WeakPolarHBondContact OD1-CG2 3.31Å
194	F	80.3	Confident	81.8	Confident	17 Å²	17	47.2 Å²	47.2	8%	0.075	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-34.1	173.3	-66.3	-82.8	0	0	0	109.9	Y192 N197 A243 T244 I246 N263 S264 H267	Y192-F194 HydrophobicContact CD1-CB 4.43Å; Y192-F194 AromaticContact CD1-CD1 3.56Å; Y192-F194 HydrophobicContact CD1-CD1 3.56Å; Y192-F194 AromaticContact CD1-CD2 3.86Å; Y192-F194 HydrophobicContact CD1-CD2 3.86Å; Y192-F194 AromaticContact CD1-CE1 3.55Å; Y192-F194 HydrophobicContact CD1-CE1 3.55Å; Y192-F194 AromaticContact CD1-CE2 3.85Å; Y192-F194 HydrophobicContact CD1-CE2 3.85Å; Y192-F194 AromaticContact CD1-CG 3.71Å; Y192-F194 HydrophobicContact CD1-CG 3.71Å; Y192-F194 AromaticContact CD1-CZ 3.7Å; Y192-F194 HydrophobicContact CD1-CZ 3.7Å; Y192-F194 AromaticContact CE1-CD1 3.75Å; Y192-F194 HydrophobicContact CE1-CD1 3.75Å; Y192-F194 AromaticContact CE1-CE1 3.91Å; Y192-F194 HydrophobicContact CE1-CE1 3.91Å; Y192-F194 HydrophobicContact CE1-CG 4.2Å; Y192-F194 HydrophobicContact CE1-CZ 4.49Å; Y192-F194 HydrophobicContact CG-CE1 4.44Å; Y192-F194 HydrophobicContact CG-CE2 4.36Å; Y192-F194 HydrophobicContact CG-CZ 4.23Å; F194-N197 PolarHBondContact O-N 3.24Å; F194-A243 HydrophobicContact CE2-CB 4.34Å; F194-T244 VanDerWaalsContact CB-O 3.27Å; F194-T244 WeakPolarHBondContact CB-O 3.08Å; F194-T244 VanDerWaalsContact CD2-O 3.26Å; F194-T244 WeakPolarHBondContact CD2-O 3.37Å; F194-T244 PolarHBondContact N-O 3.36Å; F194-I246 HydrophobicContact CB-CD1 3.92Å; F194-I246 HydrophobicContact CB-CG1 3.62Å; F194-I246 WeakPolarHBondContact O-CD1 3.39Å; F194-I246 WeakPolarHBondContact O-CG1 3.33Å; F194-N263 HydrophobicContact CD1-CB 4Å; F194-N263 HydrophobicContact CE1-CB 3.75Å; F194-N263 HydrophobicContact CZ-CB 4.5Å; F194-N263 VanDerWaalsContact CZ-O 3.29Å; F194-N263 WeakPolarHBondContact CZ-O 3.33Å; F194-S264 WeakPolarHBondContact CD2-OG 3.4Å; F194-H267 HydrophobicContact CE2-CB 4.01Å; F194-H267 AromaticContact CE2-CG 4Å; F194-H267 HydrophobicContact CZ-CB 3.7Å; F194-H267 AromaticContact CZ-CG 3.66Å; F194-H267 AromaticContact CZ-ND1 3.64Å
195	S	72.6	Confident	81	Confident	37 Å²	37	49.6 Å²	49.6	26%	0.259	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-58.9	-178	-164.2	0	0	0	0	113	D193 N197	D193-S195 PolarHBondContact O-N 3.14Å; D193-S195 WeakPolarHBondContact OD1-CA 3.28Å; D193-S195 WeakPolarHBondContact OD1-CB 3.47Å; D193-S195 PolarHBondContact OD1-N 2.99Å; S195-N197 VanDerWaalsContact C-N 3.28Å
196	G	69.2	Low	79.7	Confident	42 Å²	42	49.4 Å²	49.4	43%	0.433	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-16.8	173.5	0	0	0	0	0	113.4	D193	D193-G196 VanDerWaalsContact CG-N 3.26Å; D193-G196 PolarHBondContact OD1-N 2.99Å; D193-G196 WeakPolarHBondContact OD2-CA 3.33Å; D193-G196 PolarHBondContact OD2-N 3.27Å
197	N	75.7	Confident	78.5	Confident	59 Å²	59	53.6 Å²	53.6	32%	0.316	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	49.8	-170	-165.1	41.7	0	0	0	111.8	A55 Y192 D193 F194 S195	A55-N197 PolarHBondContact O-OD1 2.9Å; Y192-N197 PolarHBondContact OH-OD1 3.07Å; D193-N197 CarbonylContact O-C 3.54Å; D193-N197 WeakPolarHBondContact O-CA 3.24Å; D193-N197 PolarHBondContact O-N 3.15Å; F194-N197 PolarHBondContact O-N 3.24Å; S195-N197 VanDerWaalsContact C-N 3.28Å
198	D	79.1	Confident	77.7	Confident	54 Å²	54	55.6 Å²	55.6	29%	0.289	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-145.1	167.1	-177.1	73.1	60.9	0	0	0	110.8	D193 Y200	D193-D198 WeakPolarHBondContact CA-O 3.39Å; D193-D198 WeakPolarHBondContact CB-O 3.25Å; D193-D198 PolarHBondContact N-O 3.36Å; D193-D198 PolarHBondContact O-N 3.17Å; D198-Y200 VanDerWaalsContact C-N 3.26Å; D198-Y200 PolarHBondContact O-N 2.82Å; D198-Y200 WeakPolarHBondContact OD1-CA 3.32Å; D198-Y200 WeakPolarHBondContact OD1-CB 3.44Å; D198-Y200 PolarHBondContact OD1-N 3.02Å
199	P	78.7	Confident	77	Confident	63 Å²	63	56 Å²	56	41%	0.409	29%	0.285	S	S	.	.	S	Bend	trans	-83.6	9.9	-175.4	33.9	-35.2	0	0	0	114.1	P201	P199-P201 VanDerWaalsContact C-CD 3.48Å; P199-P201 WeakPolarHBondContact O-CD 3.26Å
200	Y	80.3	Confident	76.4	Confident	153 Å²	153	54.9 Å²	54.9	60%	0.6	27%	0.266	S	S	*	.			trans	-113.6	81.6	-172.6	-52.1	-70.1	0	0	0	111.8	D198 Y202	D198-Y200 VanDerWaalsContact C-N 3.26Å; D198-Y200 PolarHBondContact O-N 2.82Å; D198-Y200 WeakPolarHBondContact OD1-CA 3.32Å; D198-Y200 WeakPolarHBondContact OD1-CB 3.44Å; D198-Y200 PolarHBondContact OD1-N 3.02Å; Y200-Y202 PolarHBondContact O-N 3.19Å
201	P	84.2	Confident	76.3	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.267	C	S	.	.			trans	-75	44	-178.3	34.9	-41	0	0	0	113.9	G174 V175 Y177 Y186 D193 P199 M242 T244	G174-P201 CarbonylContact C-O 3.18Å; G174-P201 VanDerWaalsContact CA-O 3.27Å; G174-P201 WeakPolarHBondContact CA-O 3.49Å; V175-P201 PolarHBondContact N-O 2.78Å; Y177-P201 HydrophobicContact CD1-CG 4.49Å; Y186-P201 HydrophobicContact CE2-CG 4.48Å; Y186-P201 WeakPolarHBondContact OH-CD 3.28Å; D193-P201 HydrophobicContact CB-CB 4.36Å; P199-P201 VanDerWaalsContact C-CD 3.48Å; P199-P201 WeakPolarHBondContact O-CD 3.26Å; P201-M242 HydrophobicContact CB-CB 3.83Å; P201-M242 HydrophobicContact CB-CG 3.66Å; P201-M242 HydrophobicContact CG-CB 3.67Å; P201-M242 HydrophobicContact CG-CG 4.09Å; P201-T244 WeakPolarHBondContact CA-OG1 3.47Å; P201-T244 WeakPolarHBondContact CB-OG1 3.4Å
202	Y	83.6	Confident	76.3	Confident	65 Å²	65	54.9 Å²	54.9	26%	0.255	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-76.7	134.1	177.7	-163.1	-87	0	0	0	109.7	D176 Y177 M178 Y200 R204	D176-Y202 HydrophobicContact CB-CE2 4.27Å; D176-Y202 WeakPolarHBondContact OD1-CE2 3.42Å; D176-Y202 PolarHBondContact OD1-OH 3.21Å; Y177-Y202 HydrophobicContact CD1-CD2 4.15Å; Y177-Y202 AromaticContact CE1-CD2 3.79Å; Y177-Y202 HydrophobicContact CE1-CD2 3.79Å; Y177-Y202 HydrophobicContact CE1-CG 4.22Å; Y177-Y202 HydrophobicContact CE2-CD2 4.41Å; Y177-Y202 AromaticContact CZ-CD2 3.92Å; M178-Y202 HydrophobicContact CB-CE2 4.29Å; M178-Y202 HydrophobicContact CE-CD2 3.97Å; M178-Y202 HydrophobicContact CE-CE2 3.31Å; M178-Y202 HydrophobicContact CG-CE2 4.18Å; Y200-Y202 PolarHBondContact O-N 3.19Å; Y202-R204 PolarHBondContact O-N 3.45Å
203	P	81.8	Confident	76.4	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-65.1	123.4	-179.6	24.9	-33.3	0	0	0	109.6	V175 D176 Y205 N211 L381	V175-P203 VanDerWaalsContact O-CD 3.22Å; V175-P203 WeakPolarHBondContact O-CD 3.42Å; D176-P203 HydrophobicContact CB-CG 4.15Å; P203-Y205 PolarHBondContact O-N 3.08Å; P203-N211 HydrophobicContact CB-CB 4.04Å; P203-N211 VanDerWaalsContact CB-O 3.27Å; P203-N211 WeakPolarHBondContact CB-O 3.4Å; P203-L381 HydrophobicContact CB-CD2 3.81Å; P203-L381 HydrophobicContact CG-CD2 3.28Å
204	R	74.3	Confident	76.8	Confident	102 Å²	102	51.1 Å²	51.1	39%	0.385	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-61.8	136.7	178.4	-178	170.8	64.8	108.5	-12.6	110.4	Y202 T206 N211 R249 L251	Y202-R204 PolarHBondContact O-N 3.45Å; R204-T206 WeakPolarHBondContact O-CG2 3.5Å; R204-T206 PolarHBondContact O-N 3.22Å; R204-N211 PolarHBondContact O-ND2 3.17Å; R204-R249 VanDerWaalsContact NH2-NH1 3.1Å; R204-L251 VanDerWaalsContact NH2-CB 3.33Å; R204-L251 PolarHBondContact NH2-O 3.28Å; R204-L251 VanDerWaalsContact NH2-O 3.11Å
205	Y	72.4	Confident	77.3	Confident	143 Å²	143	50.3 Å²	50.3	56%	0.561	25%	0.246	S	C	*	.	P	Polyproline II helix	trans	-58	135.8	176.9	178.1	-86.4	0	0	0	112.3	P203 D207 Y382	P203-Y205 PolarHBondContact O-N 3.08Å; Y205-D207 WeakPolarHBondContact CE1-OD1 3.41Å; Y205-D207 PolarHBondContact OH-OD1 3.31Å; Y205-Y382 WeakPolarHBondContact CA-OH 3.44Å; Y205-Y382 HydrophobicContact CD2-CE1 4.37Å; Y205-Y382 HydrophobicContact CD2-CE2 4.24Å; Y205-Y382 AromaticContact CD2-CZ 3.68Å; Y205-Y382 WeakPolarHBondContact CD2-OH 3.28Å; Y205-Y382 HydrophobicContact CE2-CE2 4.45Å
206	T	66	Low	78.3	Confident	4 Å²	4	48.6 Å²	48.6	3%	0.025	23%	0.234	C	C	.	.			trans	-143.6	136.6	176.8	90.3	0	0	0	0	109.6	R204 D208 W209 F210 N211 R249	R204-T206 WeakPolarHBondContact O-CG2 3.5Å; R204-T206 PolarHBondContact O-N 3.22Å; T206-D208 WeakPolarHBondContact CB-OD1 3.45Å; T206-D208 PolarHBondContact O-N 3.47Å; T206-D208 PolarHBondContact OG1-OD1 2.99Å; T206-W209 PolarHBondContact O-N 3.1Å; T206-W209 WeakPolarHBondContact OG1-CA 3.24Å; T206-W209 PolarHBondContact OG1-N 2.98Å; T206-W209 VanDerWaalsContact OG1-N 3.09Å; T206-F210 PolarHBondContact OG1-N 2.74Å; T206-N211 HydrophobicContact CG2-CB 3.93Å; T206-N211 WeakPolarHBondContact CG2-ND2 3.17Å; T206-R249 VanDerWaalsContact CB-NH2 3.28Å
207	D	63.4	Low	79.5	Confident	133 Å²	133	46.6 Å²	46.6	71%	0.711	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-27.5	179.9	-65.5	-39.9	0	0	0	112.6	Y205 W209	Y205-D207 WeakPolarHBondContact CE1-OD1 3.41Å; Y205-D207 PolarHBondContact OH-OD1 3.31Å; D207-W209 VanDerWaalsContact C-N 3.34Å
208	D	68.7	Low	80.3	Confident	75 Å²	75	43.8 Å²	43.8	40%	0.401	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	4.9	179.1	61.5	-11.8	0	0	0	113.8	T111 T206 F210 R249	T111-D208 WeakPolarHBondContact CG2-O 3.49Å; T206-D208 WeakPolarHBondContact CB-OD1 3.45Å; T206-D208 PolarHBondContact O-N 3.47Å; T206-D208 PolarHBondContact OG1-OD1 2.99Å; D208-F210 PolarHBondContact O-N 2.96Å; D208-F210 VanDerWaalsContact OD1-CB 3.25Å; D208-F210 WeakPolarHBondContact OD1-CB 3.38Å; D208-F210 PolarHBondContact OD1-N 3.14Å; D208-F210 WeakPolarHBondContact OD2-CB 3.35Å; D208-R249 IonicContact OD1-NH2 3.22Å
209	W	69.3	Low	81.1	Confident	70 Å²	70	41.2 Å²	41.2	27%	0.265	18%	0.184	S	C	.	.			trans	54	24.7	-177	-68.4	66.7	0	0	0	113.7	L112 T206 D207 N211 S212 L381 Y382 Q384	L112-W209 HydrophobicContact CD1-CB 4.41Å; L112-W209 HydrophobicContact CD1-CD2 3.58Å; L112-W209 HydrophobicContact CD1-CE3 3.28Å; L112-W209 HydrophobicContact CD1-CG 4.09Å; L112-W209 HydrophobicContact CD1-CH2 4.33Å; L112-W209 HydrophobicContact CD1-CZ3 3.68Å; T206-W209 PolarHBondContact O-N 3.1Å; T206-W209 WeakPolarHBondContact OG1-CA 3.24Å; T206-W209 PolarHBondContact OG1-N 2.98Å; T206-W209 VanDerWaalsContact OG1-N 3.09Å; D207-W209 VanDerWaalsContact C-N 3.34Å; W209-N211 PolarHBondContact O-N 2.85Å; W209-S212 VanDerWaalsContact O-CB 3.29Å; W209-S212 WeakPolarHBondContact O-CB 3.44Å; W209-S212 PolarHBondContact O-N 3.47Å; W209-S212 PolarHBondContact O-OG 3.06Å; W209-L381 HydrophobicContact CE3-CB 3.9Å; W209-L381 HydrophobicContact CE3-CD1 4.15Å; W209-L381 HydrophobicContact CE3-CG 4.28Å; W209-L381 HydrophobicContact CH2-CB 4.47Å; W209-L381 HydrophobicContact CZ3-CB 3.62Å; W209-L381 HydrophobicContact CZ3-CG 4.46Å; W209-L381 WeakPolarHBondContact CZ3-O 3.43Å; W209-Y382 AromaticContact CH2-CD2 3.58Å; W209-Y382 HydrophobicContact CH2-CD2 3.58Å; W209-Y382 HydrophobicContact CH2-CE2 4.18Å; W209-Y382 AromaticContact CZ2-CD2 3.97Å; W209-Y382 HydrophobicContact CZ2-CD2 3.97Å; W209-Y382 HydrophobicContact CZ2-CE2 4.29Å; W209-Y382 AromaticContact CZ3-CD2 3.93Å; W209-Y382 HydrophobicContact CZ3-CD2 3.93Å; W209-Y382 HydrophobicContact CZ3-CE2 4.31Å; W209-Q384 HydrophobicContact CH2-CB 4.44Å; W209-Q384 HydrophobicContact CH2-CG 3.92Å; W209-Q384 HydrophobicContact CZ3-CG 4.45Å
210	F	69.7	Low	82	Confident	51 Å²	51	38.2 Å²	38.2	22%	0.224	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-61.8	-28.9	-176.1	-177	-87.5	0	0	0	113	K106 L109 T206 D208 S212 R249	K106-F210 VanDerWaalsContact CE-CZ 3.49Å; K106-F210 VanDerWaalsContact NZ-CE1 3.31Å; K106-F210 PolarHBondContact NZ-O 3.32Å; L109-F210 HydrophobicContact CD2-CD2 3.41Å; L109-F210 VanDerWaalsContact CD2-CD2 3.41Å; L109-F210 HydrophobicContact CD2-CE2 3.41Å; L109-F210 VanDerWaalsContact CD2-CE2 3.41Å; L109-F210 HydrophobicContact CD2-CG 4.21Å; L109-F210 HydrophobicContact CD2-CZ 4.23Å; T206-F210 PolarHBondContact OG1-N 2.74Å; D208-F210 PolarHBondContact O-N 2.96Å; D208-F210 VanDerWaalsContact OD1-CB 3.25Å; D208-F210 WeakPolarHBondContact OD1-CB 3.38Å; D208-F210 PolarHBondContact OD1-N 3.14Å; D208-F210 WeakPolarHBondContact OD2-CB 3.35Å; F210-S212 VanDerWaalsContact C-N 3.28Å; F210-S212 PolarHBondContact O-N 3.33Å; F210-R249 HydrophobicContact CD1-CB 4.46Å; F210-R249 HydrophobicContact CD1-CG 3.67Å; F210-R249 HydrophobicContact CE1-CB 4.2Å; F210-R249 HydrophobicContact CE1-CG 3.67Å
211	N	81.4	Confident	82.8	Confident	4 Å²	4	30.9 Å²	30.9	2%	0.021	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-90.7	24	179	-72.1	-11.2	0	0	0	113.8	D173 P203 R204 T206 W209 H213 R249	D173-N211 WeakPolarHBondContact OD2-CA 3.37Å; P203-N211 HydrophobicContact CB-CB 4.04Å; P203-N211 VanDerWaalsContact CB-O 3.27Å; P203-N211 WeakPolarHBondContact CB-O 3.4Å; R204-N211 PolarHBondContact O-ND2 3.17Å; T206-N211 HydrophobicContact CG2-CB 3.93Å; T206-N211 WeakPolarHBondContact CG2-ND2 3.17Å; W209-N211 PolarHBondContact O-N 2.85Å; N211-H213 VanDerWaalsContact C-N 3.35Å; N211-R249 WeakPolarHBondContact OD1-CD 3.39Å
212	S	85	Confident	83.3	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.007	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-85.6	-8.3	178	52.8	0	0	0	0	113.6	W209 F210 T215 R216 D380	W209-S212 VanDerWaalsContact O-CB 3.29Å; W209-S212 WeakPolarHBondContact O-CB 3.44Å; W209-S212 PolarHBondContact O-N 3.47Å; W209-S212 PolarHBondContact O-OG 3.06Å; F210-S212 VanDerWaalsContact C-N 3.28Å; F210-S212 PolarHBondContact O-N 3.33Å; S212-T215 PolarHBondContact O-N 3.25Å; S212-R216 WeakPolarHBondContact O-CG 3.34Å; S212-R216 PolarHBondContact O-N 3.12Å; S212-R216 VanDerWaalsContact O-N 3.1Å; S212-R216 VanDerWaalsContact OG-CZ 3.23Å; S212-R216 PolarHBondContact OG-NH2 3Å; S212-D380 WeakPolarHBondContact CB-OD1 3.28Å
213	H	87.6	Confident	83.9	Confident	0 Å²	0	28 Å²	28	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-69.4	-50.5	-162.4	-168.9	-91.7	0	0	0	112.3	K106 R107 D172 D173 N211 T215 R216 C217 H389 S393	K106-H213 HydrophobicContact CD-CB 3.75Å; R107-H213 PolarHBondContact O-NE2 2.79Å; D172-H213 VanDerWaalsContact CG-ND1 3.35Å; D172-H213 IonicContact OD1-CG 3.75Å; D172-H213 IonicContact OD1-ND1 2.95Å; D172-H213 PolarHBondContact OD1-ND1 3.35Å; D172-H213 IonicContact OD2-CE1 3.59Å; D172-H213 PolarHBondContact OD2-CE1 3.2Å; D172-H213 IonicContact OD2-CG 3.44Å; D172-H213 IonicContact OD2-ND1 3.89Å; D172-H213 PolarHBondContact OD2-ND1 3.3Å; D173-H213 WeakPolarHBondContact OD2-CB 3.38Å; D173-H213 PolarHBondContact OD2-N 3.01Å; D173-H213 VanDerWaalsContact OD2-N 3.08Å; N211-H213 VanDerWaalsContact C-N 3.35Å; H213-T215 VanDerWaalsContact C-N 3.29Å; H213-T215 PolarHBondContact O-N 2.95Å; H213-R216 WeakPolarHBondContact O-CB 3.22Å; H213-R216 PolarHBondContact O-N 2.99Å; H213-R216 VanDerWaalsContact O-N 3.16Å; H213-C217 PolarHBondContact O-N 3.12Å; H213-C217 VanDerWaalsContact O-N 3.08Å; H213-C217 PolarHBondContact O-SG 3.23Å; H213-C217 VanDerWaalsContact O-SG 3.4Å; H213-H389 AromaticContact CD2-CE1 3.9Å; H213-H389 AromaticContact NE2-CE1 3.68Å; H213-S393 VanDerWaalsContact CE1-CB 3.41Å; H213-S393 WeakPolarHBondContact CE1-CB 3.35Å; H213-S393 PolarHBondContact CE1-OG 3.21Å; H213-S393 WeakPolarHBondContact NE2-CB 3.27Å; H213-S393 PolarHBondContact NE2-OG 3.15Å
214	G	89.3	Confident	84.4	Confident	0 Å²	0	29 Å²	29	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.8	-36.5	176.7	0	0	0	0	0	112.8	D173 V175 R216 C217 A218	D173-G214 WeakPolarHBondContact OD1-CA 3.44Å; D173-G214 PolarHBondContact OD1-N 2.8Å; V175-G214 WeakPolarHBondContact CG2-O 3.33Å; G214-R216 VanDerWaalsContact C-N 3.35Å; G214-R216 PolarHBondContact O-N 3.42Å; G214-C217 PolarHBondContact O-N 3.21Å; G214-A218 WeakPolarHBondContact O-CB 3.28Å; G214-A218 PolarHBondContact O-N 3.26Å
215	T	91.9	Very high	85.3	Confident	0 Å²	0	29 Å²	29	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65.2	-37.2	176.1	-58.5	0	0	0	0	112.1	D176 L182 S212 H213 G219 T379 L381	D176-T215 HydrophobicContact CB-CG2 3.91Å; D176-T215 PolarHBondContact N-OG1 2.86Å; L182-T215 HydrophobicContact CD1-CG2 4.18Å; S212-T215 PolarHBondContact O-N 3.25Å; H213-T215 VanDerWaalsContact C-N 3.29Å; H213-T215 PolarHBondContact O-N 2.95Å; T215-G219 PolarHBondContact O-N 3.4Å; T215-T379 PolarHBondContact O-OG1 3.13Å; T215-L381 HydrophobicContact CG2-CD2 4.4Å; T215-L381 WeakPolarHBondContact OG1-CD2 3.04Å
216	R	93.6	Very high	86.1	Confident	1 Å²	1	24 Å²	24	0%	0.004	12%	0.123	C	C	.	.	H	α-helix	trans	-66.3	-47.6	174.6	-70.2	167.2	-179.1	170.2	4.9	111.5	K110 S212 H213 G214 A218 G219 E220 T378 T379 D380 T386	K110-R216 PolarHBondContact O-NH1 3.24Å; S212-R216 WeakPolarHBondContact O-CG 3.34Å; S212-R216 PolarHBondContact O-N 3.12Å; S212-R216 VanDerWaalsContact O-N 3.1Å; S212-R216 VanDerWaalsContact OG-CZ 3.23Å; S212-R216 PolarHBondContact OG-NH2 3Å; H213-R216 WeakPolarHBondContact O-CB 3.22Å; H213-R216 PolarHBondContact O-N 2.99Å; H213-R216 VanDerWaalsContact O-N 3.16Å; G214-R216 VanDerWaalsContact C-N 3.35Å; G214-R216 PolarHBondContact O-N 3.42Å; R216-A218 VanDerWaalsContact C-N 3.32Å; R216-A218 PolarHBondContact O-N 3.41Å; R216-G219 PolarHBondContact O-N 2.96Å; R216-G219 VanDerWaalsContact O-N 3.15Å; R216-E220 PolarHBondContact O-N 3.4Å; R216-T378 HydrophobicContact CB-CG2 3.69Å; R216-T378 HydrophobicContact CG-CG2 4.02Å; R216-T378 WeakPolarHBondContact O-CG2 3.49Å; R216-T378 PolarHBondContact O-OG1 3.42Å; R216-T379 WeakPolarHBondContact CA-O 3.35Å; R216-T379 WeakPolarHBondContact CG-O 3.48Å; R216-D380 IonicContact CZ-OD2 3.8Å; R216-D380 IonicContact NE-OD1 3.15Å; R216-D380 IonicContact NE-OD2 3.75Å; R216-D380 PolarHBondContact NE-OD2 2.82Å; R216-D380 IonicContact NH2-OD1 2.71Å; R216-D380 IonicContact NH2-OD2 2.85Å; R216-D380 PolarHBondContact NH2-OD2 2.61Å; R216-T386 HydrophobicContact CG-CG2 3.89Å
217	C	93.4	Very high	87.4	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-58.9	-42.8	176.5	-66.7	0	0	0	0	111.7	I170 H213 G214 G219 E220 V221 P397	I170-C217 HydrophobicContact CD1-CB 4.38Å; I170-C217 HydrophobicContact CG2-CB 4.02Å; H213-C217 PolarHBondContact O-N 3.12Å; H213-C217 VanDerWaalsContact O-N 3.08Å; H213-C217 PolarHBondContact O-SG 3.23Å; H213-C217 VanDerWaalsContact O-SG 3.4Å; G214-C217 PolarHBondContact O-N 3.21Å; C217-G219 VanDerWaalsContact C-N 3.32Å; C217-G219 PolarHBondContact O-N 3.42Å; C217-E220 PolarHBondContact O-N 3.11Å; C217-V221 PolarHBondContact O-N 3.46Å; C217-P397 HydrophobicContact CB-CB 4.08Å; C217-P397 HydrophobicContact CB-CG 4.01Å; C217-P397 WeakPolarHBondContact O-CB 3.26Å
218	A	93.7	Very high	88.8	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-63.5	-36.6	177.8	0	0	0	0	0	112.8	I170 V175 L182 G214 R216 V221 A222	I170-A218 HydrophobicContact CG1-CB 4.04Å; V175-A218 HydrophobicContact CG1-CB 4.06Å; V175-A218 HydrophobicContact CG2-CB 3.63Å; L182-A218 HydrophobicContact CD1-CB 4.08Å; L182-A218 HydrophobicContact CD2-CB 4.35Å; G214-A218 WeakPolarHBondContact O-CB 3.28Å; G214-A218 PolarHBondContact O-N 3.26Å; R216-A218 VanDerWaalsContact C-N 3.32Å; R216-A218 PolarHBondContact O-N 3.41Å; A218-V221 PolarHBondContact O-N 3.43Å; A218-A222 PolarHBondContact O-N 2.86Å
219	G	95.4	Very high	90	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-63.5	-39.1	175.5	0	0	0	0	0	113.6	T215 R216 C217 V221 A223 G233 T378 T379	T215-G219 PolarHBondContact O-N 3.4Å; R216-G219 PolarHBondContact O-N 2.96Å; R216-G219 VanDerWaalsContact O-N 3.15Å; C217-G219 VanDerWaalsContact C-N 3.32Å; C217-G219 PolarHBondContact O-N 3.42Å; G219-V221 PolarHBondContact O-N 2.95Å; G219-A223 WeakPolarHBondContact O-CB 3.47Å; G219-A223 PolarHBondContact O-N 3.36Å; G219-G233 WeakPolarHBondContact O-CA 3.33Å; G219-T378 VanDerWaalsContact C-OG1 3.26Å; G219-T378 VanDerWaalsContact CA-OG1 3.3Å; G219-T378 WeakPolarHBondContact CA-OG1 3.28Å; G219-T379 WeakPolarHBondContact CA-OG1 3.39Å; G219-T379 PolarHBondContact N-OG1 3.03Å
220	E	96.9	Very high	91.2	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-65.1	-32.9	178	-70.2	163	-102.7	0	0	111.7	R216 C217 G233 V234 V376 T378 H389 A394 P397	R216-E220 PolarHBondContact O-N 3.4Å; C217-E220 PolarHBondContact O-N 3.11Å; E220-G233 CarbonylContact O-C 3.51Å; E220-G233 WeakPolarHBondContact O-CA 3.48Å; E220-V234 PolarHBondContact O-N 2.91Å; E220-V376 HydrophobicContact CG-CG1 3.92Å; E220-V376 WeakPolarHBondContact OE2-CG1 3.43Å; E220-T378 HydrophobicContact CG-CG2 4.2Å; E220-T378 PolarHBondContact N-OG1 2.8Å; E220-T378 VanDerWaalsContact N-OG1 3.14Å; E220-H389 IonicContact OE1-CD2 3.24Å; E220-H389 PolarHBondContact OE1-CD2 2.93Å; E220-H389 IonicContact OE1-NE2 2.74Å; E220-H389 PolarHBondContact OE1-NE2 2.77Å; E220-A394 WeakPolarHBondContact OE2-CA 3.39Å; E220-A394 WeakPolarHBondContact OE2-CB 3.4Å; E220-P397 HydrophobicContact CB-CB 4.2Å; E220-P397 HydrophobicContact CB-CG 4.33Å
221	V	96.7	Very high	92.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-78.1	-54.5	175.3	-176.8	0	0	0	0	111	T168 I170 C217 A218 G219 G233 V234 A235 P397 A400	T168-V221 HydrophobicContact CG2-CG1 4.11Å; T168-V221 HydrophobicContact CG2-CG2 4.39Å; I170-V221 HydrophobicContact CD1-CG2 4.08Å; C217-V221 PolarHBondContact O-N 3.46Å; A218-V221 PolarHBondContact O-N 3.43Å; G219-V221 PolarHBondContact O-N 2.95Å; V221-G233 CarbonylContact O-C 3.52Å; V221-V234 PolarHBondContact O-N 3.1Å; V221-A235 CarbonylContact O-C 3.59Å; V221-A235 VanDerWaalsContact O-CA 3.27Å; V221-A235 WeakPolarHBondContact O-CA 3.23Å; V221-A235 WeakPolarHBondContact O-CB 3.41Å; V221-A235 PolarHBondContact O-N 3.21Å; V221-P397 HydrophobicContact CG2-CB 3.77Å; V221-P397 WeakPolarHBondContact CG2-O 3.13Å; V221-A400 HydrophobicContact CG2-CB 4.39Å
222	A	95.5	Very high	93.1	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-137.1	20.9	-157.1	0	0	0	0	0	115.6	N185 A218 C240	N185-A222 HydrophobicContact CB-CB 4.29Å; N185-A222 PolarHBondContact ND2-O 3.35Å; A218-A222 PolarHBondContact O-N 2.86Å; A222-C240 HydrophobicContact CB-CB 3.49Å; A222-C240 VanDerWaalsContact CB-CB 3.49Å
223	A	95.2	Very high	93.6	Very high	3 Å²	3	15.5 Å²	15.5	3%	0.025	10%	0.095	C	C	.	.	P	Polyproline II helix	trans	-57.9	139.3	167	0	0	0	0	0	110.9	D181 G219 G233 Y236 T379	D181-A223 WeakPolarHBondContact O-CA 3.38Å; D181-A223 WeakPolarHBondContact OD2-CB 3.38Å; G219-A223 WeakPolarHBondContact O-CB 3.47Å; G219-A223 PolarHBondContact O-N 3.36Å; A223-G233 PolarHBondContact O-N 2.87Å; A223-Y236 WeakPolarHBondContact O-CA 3.22Å; A223-Y236 WeakPolarHBondContact O-CB 3.26Å; A223-T379 HydrophobicContact CB-CG2 4.2Å
224	L	93.3	Very high	94.1	Very high	22 Å²	22	15.5 Å²	15.5	12%	0.115	10%	0.095	C	C	.	.	P	Polyproline II helix	trans	-69.7	147.7	-173.9	-69.5	167.9	0	0	0	111.5	D181 D184 N185 N227	D181-L224 WeakPolarHBondContact O-CG 3.41Å; D181-L224 PolarHBondContact O-N 2.92Å; D181-L224 PolarHBondContact OD1-N 2.64Å; D181-L224 VanDerWaalsContact OD1-N 3.15Å; D184-L224 HydrophobicContact CB-CD1 4.01Å; D184-L224 HydrophobicContact CB-CD2 4.24Å; N185-L224 WeakPolarHBondContact ND2-CD2 3.22Å; L224-N227 HydrophobicContact CB-CB 4.44Å
225	R	92.7	Very high	94.4	Very high	102 Å²	102	15.5 Å²	15.5	39%	0.385	10%	0.095	S	C	.	.	S	Bend	trans	-89.1	130.9	175	-173.4	175.8	172.7	-143.9	-1.7	111.2	Q124 P126 N227 V232 Y236	Q124-R225 PolarHBondContact O-NH2 3.15Å; P126-R225 HydrophobicContact CB-CG 4.13Å; P126-R225 HydrophobicContact CG-CG 4.13Å; R225-N227 VanDerWaalsContact C-N 3.33Å; R225-N227 PolarHBondContact O-N 2.78Å; R225-V232 HydrophobicContact CB-CG2 3.56Å; R225-V232 HydrophobicContact CG-CG2 3.93Å; R225-Y236 HydrophobicContact CB-CD1 4.26Å; R225-Y236 HydrophobicContact CB-CD2 3.64Å; R225-Y236 HydrophobicContact CB-CE2 3.96Å; R225-Y236 HydrophobicContact CB-CG 3.79Å; R225-Y236 PolarHBondContact NH1-OH 3.31Å
226	G	90.6	Very high	94.5	Very high	38 Å²	38	16.3 Å²	16.3	39%	0.392	10%	0.098	S	C	.	.	S	Bend	trans	72.6	20.1	165.2	0	0	0	0	0	115	D128 G228	D128-G226 VanDerWaalsContact CG-N 3.3Å; D128-G226 VanDerWaalsContact OD1-CA 3.28Å; D128-G226 WeakPolarHBondContact OD1-CA 3.25Å; D128-G226 PolarHBondContact OD1-N 2.99Å; D128-G226 VanDerWaalsContact OD1-N 3.11Å; D128-G226 WeakPolarHBondContact OD2-CA 3.43Å; D128-G226 PolarHBondContact OD2-N 2.79Å; G226-G228 VanDerWaalsContact C-N 3.33Å
227	N	91.9	Very high	94.3	Very high	58 Å²	58	19.5 Å²	19.5	31%	0.31	12%	0.115	S	C	.	.	S	Bend	trans	-86.2	-6.7	176.2	69.2	-3	0	0	0	112.4	D128 D181 L224 R225 I229	D128-N227 PolarHBondContact OD1-N 3.41Å; D128-N227 VanDerWaalsContact OD1-N 3.11Å; D128-N227 PolarHBondContact OD1-OD1 3.11Å; D181-N227 PolarHBondContact OD1-ND2 3.48Å; D181-N227 PolarHBondContact OD1-OD1 2.85Å; L224-N227 HydrophobicContact CB-CB 4.44Å; R225-N227 VanDerWaalsContact C-N 3.33Å; R225-N227 PolarHBondContact O-N 2.78Å; N227-I229 PolarHBondContact OD1-N 3.46Å; N227-I229 PolarHBondContact OD1-O 3.03Å
228	G	93.2	Very high	93.8	Very high	43 Å²	43	19.5 Å²	19.5	44%	0.443	12%	0.115	S	C	.	.	S	Bend	trans	82.4	16.2	178.6	0	0	0	0	0	114.2	D128 P129 G226	D128-G228 PolarHBondContact OD1-N 3.34Å; P129-G228 VanDerWaalsContact CD-C 3.46Å; P129-G228 WeakPolarHBondContact CD-O 3.34Å; P129-G228 WeakPolarHBondContact CG-O 3.41Å; G226-G228 VanDerWaalsContact C-N 3.33Å
229	I	93.5	Very high	93	Very high	51 Å²	51	23.2 Å²	23.2	26%	0.262	13%	0.131	S	C	.	.	S	Bend	trans	-121.2	139.4	-177.7	-54.3	-177.9	0	0	0	107.9	P180 D181 N227 G231	P180-I229 HydrophobicContact CB-CD1 3.34Å; P180-I229 HydrophobicContact CG-CD1 4.36Å; D181-I229 HydrophobicContact CB-CB 4.42Å; D181-I229 HydrophobicContact CB-CG2 4.01Å; N227-I229 PolarHBondContact OD1-N 3.46Å; N227-I229 PolarHBondContact OD1-O 3.03Å; I229-G231 PolarHBondContact O-N 3.42Å
230	C	95.1	Very high	91.4	Very high	5 Å²	5	23.6 Å²	23.6	3%	0.034	13%	0.134	C	C	.	.	S	Bend	trans	40.8	-112.3	179.2	-54.3	0	0	0	0	114.2	L130 D181 T379 C385	L130-C230 WeakPolarHBondContact CA-O 3.19Å; L130-C230 WeakPolarHBondContact CB-O 3.22Å; L130-C230 WeakPolarHBondContact CG-O 3.44Å; L130-C230 PolarHBondContact N-O 3.13Å; D181-C230 WeakPolarHBondContact OD2-CB 3.4Å; C230-T379 HydrophobicContact CB-CG2 4.44Å; C230-C385 WeakPolarHBondContact CA-SG 3.31Å; C230-C385 HydrophobicContact CB-CB 3.73Å; C230-C385 WeakPolarHBondContact CB-SG 3.32Å; C230-C385 WeakPolarHBondContact SG-CB 3.46Å; C230-C385 CovalentContact SG-SG 2.02Å; C230-C385 PolarHBondContact SG-SG 2.92Å
231	G	94.8	Very high	89.8	Confident	2 Å²	2	23.6 Å²	23.6	2%	0.021	13%	0.134	C	C	.	.			trans	-138.9	-149.2	-176.6	0	0	0	0	0	109.9	Q134 I229	Q134-G231 VanDerWaalsContact OE1-CA 3.3Å; I229-G231 PolarHBondContact O-N 3.42Å
232	V	95.4	Very high	87.8	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.134	C	C	.	.			trans	-130.2	145.3	179.7	69.9	0	0	0	0	111.3	P126 Y131 Q134 L137 W157 R225 Y236	P126-V232 HydrophobicContact CB-CB 4.4Å; P126-V232 HydrophobicContact CB-CG1 4.27Å; P126-V232 HydrophobicContact CG-CB 4.35Å; P126-V232 HydrophobicContact CG-CG1 3.85Å; Y131-V232 HydrophobicContact CD2-CG1 3.64Å; Y131-V232 HydrophobicContact CE2-CG1 3.72Å; Q134-V232 PolarHBondContact NE2-O 2.95Å; L137-V232 HydrophobicContact CD1-CG1 3.73Å; W157-V232 HydrophobicContact CH2-CG1 3.55Å; W157-V232 HydrophobicContact CH2-CG2 4.39Å; W157-V232 HydrophobicContact CZ2-CG1 4.3Å; W157-V232 HydrophobicContact CZ3-CG1 4.29Å; R225-V232 HydrophobicContact CB-CG2 3.56Å; R225-V232 HydrophobicContact CG-CG2 3.93Å; V232-Y236 HydrophobicContact CG2-CD1 3.82Å; V232-Y236 HydrophobicContact CG2-CG 3.91Å
233	G	95.9	Very high	85.7	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.134	C	C	.	.			trans	-77	155.2	172.4	0	0	0	0	0	111.9	W157 G219 E220 V221 A223 A235 Y236	W157-G233 WeakPolarHBondContact CZ2-O 3.35Å; G219-G233 WeakPolarHBondContact O-CA 3.33Å; E220-G233 CarbonylContact O-C 3.51Å; E220-G233 WeakPolarHBondContact O-CA 3.48Å; V221-G233 CarbonylContact O-C 3.52Å; A223-G233 PolarHBondContact O-N 2.87Å; G233-A235 PolarHBondContact O-N 3.09Å; G233-Y236 PolarHBondContact O-N 2.8Å
234	V	97.5	Very high	83.4	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-41.2	172.5	173.2	0	0	0	0	110.8	L137 L151 V153 W157 E220 V221 V402 L405	L137-V234 HydrophobicContact CD2-CG2 3.6Å; L151-V234 HydrophobicContact CD1-CG2 4.12Å; V153-V234 HydrophobicContact CG1-CG1 3.85Å; W157-V234 PolarHBondContact NE1-O 3.41Å; E220-V234 PolarHBondContact O-N 2.91Å; V221-V234 PolarHBondContact O-N 3.1Å; V234-V402 HydrophobicContact CG1-CG2 3.98Å; V234-L405 HydrophobicContact CG1-CD1 3.92Å; V234-L405 HydrophobicContact CG1-CG 4.48Å
235	A	96	Very high	81.1	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.3	62.1	-179.7	0	0	0	0	0	110	T162 V221 G233 N237 S238 A404 L405	T162-A235 CarbonylContact O-C 3.56Å; T162-A235 VanDerWaalsContact O-CA 3.29Å; T162-A235 WeakPolarHBondContact O-CA 3.39Å; V221-A235 CarbonylContact O-C 3.59Å; V221-A235 VanDerWaalsContact O-CA 3.27Å; V221-A235 WeakPolarHBondContact O-CA 3.23Å; V221-A235 WeakPolarHBondContact O-CB 3.41Å; V221-A235 PolarHBondContact O-N 3.21Å; G233-A235 PolarHBondContact O-N 3.09Å; A235-N237 PolarHBondContact O-N 3.15Å; A235-S238 WeakPolarHBondContact O-CA 3.43Å; A235-S238 WeakPolarHBondContact O-CB 3.4Å; A235-S238 PolarHBondContact O-N 2.75Å; A235-A404 HydrophobicContact CB-CB 3.79Å; A235-L405 HydrophobicContact CB-CD2 4.34Å
236	Y	93.7	Very high	78.3	Confident	18 Å²	18	18.9 Å²	18.9	7%	0.071	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-8.1	-170.9	61.8	-99.6	0	0	0	117	W157 T162 N185 A223 R225 V232 G233	W157-Y236 AromaticContact CD1-CE1 3.7Å; W157-Y236 HydrophobicContact CD2-CD1 4.32Å; W157-Y236 AromaticContact CD2-CE1 3.7Å; W157-Y236 HydrophobicContact CD2-CE1 3.7Å; W157-Y236 AromaticContact CE2-CD1 3.79Å; W157-Y236 AromaticContact CE2-CE1 3.61Å; W157-Y236 HydrophobicContact CE3-CE1 4.39Å; W157-Y236 AromaticContact CG-CE1 3.73Å; W157-Y236 HydrophobicContact CG-CE1 3.73Å; W157-Y236 HydrophobicContact CZ2-CD1 4.01Å; W157-Y236 HydrophobicContact CZ2-CE1 4.23Å; W157-Y236 AromaticContact NE1-CD1 3.82Å; W157-Y236 AromaticContact NE1-CE1 3.59Å; T162-Y236 HydrophobicContact CG2-CE1 3.94Å; T162-Y236 HydrophobicContact CG2-CE2 3.76Å; T162-Y236 WeakPolarHBondContact CG2-OH 3.46Å; T162-Y236 PolarHBondContact O-N 3.38Å; N185-Y236 PolarHBondContact ND2-O 3.25Å; A223-Y236 WeakPolarHBondContact O-CA 3.22Å; A223-Y236 WeakPolarHBondContact O-CB 3.26Å; R225-Y236 HydrophobicContact CB-CD1 4.26Å; R225-Y236 HydrophobicContact CB-CD2 3.64Å; R225-Y236 HydrophobicContact CB-CE2 3.96Å; R225-Y236 HydrophobicContact CB-CG 3.79Å; R225-Y236 PolarHBondContact NH1-OH 3.31Å; V232-Y236 HydrophobicContact CG2-CD1 3.82Å; V232-Y236 HydrophobicContact CG2-CG 3.91Å; G233-Y236 PolarHBondContact O-N 2.8Å
237	N	89.4	Confident	75.5	Confident	67 Å²	67	17.6 Å²	17.6	36%	0.358	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	5.2	169.8	-75.8	-28.6	0	0	0	112.7	T162 K164 A235	T162-N237 WeakPolarHBondContact CB-ND2 3.48Å; T162-N237 PolarHBondContact O-N 3.46Å; T162-N237 WeakPolarHBondContact OG1-CB 3.29Å; T162-N237 PolarHBondContact OG1-ND2 2.71Å; K164-N237 HydrophobicContact CB-CB 4.41Å; A235-N237 PolarHBondContact O-N 3.15Å
238	S	83.9	Confident	72.7	Confident	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	-65	141.1	171.9	-165.6	0	0	0	0	109.9	G163 V166 N185 A235 C240	G163-S238 WeakPolarHBondContact O-CA 3.49Å; V166-S238 PolarHBondContact O-OG 2.86Å; N185-S238 WeakPolarHBondContact CB-O 3.45Å; N185-S238 VanDerWaalsContact CG-O 3.31Å; A235-S238 WeakPolarHBondContact O-CA 3.43Å; A235-S238 WeakPolarHBondContact O-CB 3.4Å; A235-S238 PolarHBondContact O-N 2.75Å; S238-C240 PolarHBondContact O-N 2.8Å
239	K	76.9	Confident	69.9	Low	79 Å²	79	15.2 Å²	15.2	34%	0.343	8%	0.077	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	120.5	164.2	-64.4	-53.9	-176.2	-171	0	107.3	V166 T167 T168 D184 N185 N187	V166-K239 PolarHBondContact O-N 3.47Å; T167-K239 CarbonylContact C-O 3.45Å; T167-K239 VanDerWaalsContact CA-O 3.3Å; T167-K239 WeakPolarHBondContact CA-O 3.39Å; T168-K239 PolarHBondContact N-O 3.31Å; D184-K239 PolarHBondContact O-NZ 2.69Å; N185-K239 CarbonylContact O-C 3.51Å; N185-K239 VanDerWaalsContact O-CA 3.3Å; N185-K239 WeakPolarHBondContact O-CA 3.36Å; N187-K239 HydrophobicContact CB-CB 4.04Å; N187-K239 HydrophobicContact CB-CG 4.48Å
240	C	62.4	Low	67	Low	7 Å²	7	18.9 Å²	18.9	5%	0.047	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	131.6	173.6	-166	0	0	0	0	107.4	N185 Y186 N187 A222 S238	N185-C240 PolarHBondContact O-N 3.39Å; Y186-C240 VanDerWaalsContact CA-O 3.28Å; Y186-C240 WeakPolarHBondContact CA-O 3.34Å; N187-C240 PolarHBondContact N-O 3.34Å; A222-C240 HydrophobicContact CB-CB 3.49Å; A222-C240 VanDerWaalsContact CB-CB 3.49Å; S238-C240 PolarHBondContact O-N 2.8Å
241	I	61.7	Low	64.2	Low	1 Å²	1	24.2 Å²	24.2	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	153.3	-177.6	68.6	100.4	0	0	0	107.6	T167 T168 A169 I170 N187 A190 S191 I272	T167-I241 HydrophobicContact CG2-CB 4.24Å; T167-I241 HydrophobicContact CG2-CG1 3.56Å; T167-I241 HydrophobicContact CG2-CG2 3.62Å; T168-I241 PolarHBondContact O-N 3.26Å; A169-I241 WeakPolarHBondContact CA-O 3.41Å; A169-I241 HydrophobicContact CB-CD1 3.6Å; A169-I241 HydrophobicContact CB-CG1 4.1Å; I170-I241 PolarHBondContact N-O 2.69Å; N187-I241 HydrophobicContact CB-CG2 3.27Å; N187-I241 WeakPolarHBondContact O-CG2 3.5Å; A190-I241 HydrophobicContact CB-CB 3.99Å; A190-I241 HydrophobicContact CB-CD1 3.7Å; A190-I241 HydrophobicContact CB-CG1 3.83Å; A190-I241 HydrophobicContact CB-CG2 3.91Å; A190-I241 WeakPolarHBondContact O-CD1 3.07Å; S191-I241 WeakPolarHBondContact OG-CB 3.37Å; I241-I272 HydrophobicContact CD1-CD1 3.41Å; I241-I272 VanDerWaalsContact CD1-CD1 3.41Å; I241-I272 HydrophobicContact CD1-CG1 3.7Å; I241-I272 HydrophobicContact CG1-CD1 4.42Å; I241-I272 HydrophobicContact CG1-CG1 4.22Å
242	M	56	Low	61.7	Low	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	116.2	-178.3	-169.2	59.7	165.4	0	0	110.2	I170 D172 G174 V175 S191 Y192 P201	I170-M242 HydrophobicContact CB-CE 4.27Å; I170-M242 HydrophobicContact CB-SD 3.58Å; I170-M242 VanDerWaalsContact CB-SD 3.58Å; I170-M242 HydrophobicContact CG2-CE 3.89Å; I170-M242 HydrophobicContact CG2-SD 3.89Å; D172-M242 HydrophobicContact CB-CE 3.64Å; G174-M242 VanDerWaalsContact CA-CE 3.45Å; V175-M242 HydrophobicContact CB-CB 3.94Å; V175-M242 HydrophobicContact CB-CE 4.43Å; V175-M242 HydrophobicContact CB-CG 3.85Å; V175-M242 HydrophobicContact CB-SD 3.99Å; V175-M242 HydrophobicContact CG2-CB 4.14Å; V175-M242 HydrophobicContact CG2-CE 3.66Å; V175-M242 HydrophobicContact CG2-CG 3.85Å; V175-M242 HydrophobicContact CG2-SD 3.29Å; V175-M242 WeakPolarHBondContact CG2-SD 3.41Å; S191-M242 CarbonylContact C-O 3.58Å; S191-M242 WeakPolarHBondContact CA-O 3.36Å; S191-M242 VanDerWaalsContact CB-O 3.31Å; S191-M242 WeakPolarHBondContact CB-O 3.25Å; S191-M242 PolarHBondContact OG-N 3.33Å; Y192-M242 PolarHBondContact N-O 3.32Å; P201-M242 HydrophobicContact CB-CB 3.83Å; P201-M242 HydrophobicContact CB-CG 3.66Å; P201-M242 HydrophobicContact CG-CB 3.67Å; P201-M242 HydrophobicContact CG-CG 4.09Å
243	A	50.1	Low	59.3	Low	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	88	165.2	0	0	0	0	0	106.9	I170 Y192 F194 I245	I170-A243 PolarHBondContact O-N 2.84Å; Y192-A243 CarbonylContact O-C 3.51Å; Y192-A243 WeakPolarHBondContact O-CA 3.16Å; F194-A243 HydrophobicContact CE2-CB 4.34Å; A243-I245 PolarHBondContact O-N 2.94Å; A243-I245 VanDerWaalsContact O-N 3.17Å
244	T	47.3	Very low	57.3	Low	9 Å²	9	30.2 Å²	30.2	6%	0.055	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	119.3	178.2	-54.1	0	0	0	0	108.5	Y192 D193 F194 P201	Y192-T244 PolarHBondContact O-N 2.7Å; D193-T244 VanDerWaalsContact OD1-CB 3.31Å; D193-T244 WeakPolarHBondContact OD1-CB 3.26Å; D193-T244 VanDerWaalsContact OD1-CG2 3.3Å; D193-T244 WeakPolarHBondContact OD1-CG2 3.31Å; F194-T244 VanDerWaalsContact CB-O 3.27Å; F194-T244 WeakPolarHBondContact CB-O 3.08Å; F194-T244 VanDerWaalsContact CD2-O 3.26Å; F194-T244 WeakPolarHBondContact CD2-O 3.37Å; F194-T244 PolarHBondContact N-O 3.36Å; P201-T244 WeakPolarHBondContact CA-OG1 3.47Å; P201-T244 WeakPolarHBondContact CB-OG1 3.4Å
245	I	45.2	Very low	55.7	Low	1 Å²	1	32.7 Å²	32.7	1%	0.005	17%	0.165	C	C	.	.			trans	-79.4	138.3	173.4	-50.1	-165.9	0	0	0	108	M171 D172 A243 G247 M256 I260 W279	M171-I245 HydrophobicContact CB-CD1 3.64Å; M171-I245 HydrophobicContact CB-CG1 4.1Å; M171-I245 HydrophobicContact CG-CD1 4.16Å; M171-I245 HydrophobicContact SD-CD1 4.18Å; D172-I245 PolarHBondContact O-N 3.39Å; A243-I245 PolarHBondContact O-N 2.94Å; A243-I245 VanDerWaalsContact O-N 3.17Å; I245-G247 PolarHBondContact O-N 2.63Å; I245-M256 HydrophobicContact CB-CE 4.18Å; I245-M256 HydrophobicContact CG2-CE 3.24Å; I245-M256 HydrophobicContact CG2-SD 3.59Å; I245-M256 VanDerWaalsContact CG2-SD 3.59Å; I245-I260 HydrophobicContact CG2-CG2 3.57Å; I245-W279 HydrophobicContact CD1-CH2 4.45Å; I245-W279 HydrophobicContact CD1-CZ2 3.39Å
246	I	33.9	Very low	54.6	Low	17 Å²	17	32.8 Å²	32.8	9%	0.087	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-8.5	178.4	-59.8	158.5	0	0	0	114	F194 Q253 I260	F194-I246 HydrophobicContact CB-CD1 3.92Å; F194-I246 HydrophobicContact CB-CG1 3.62Å; F194-I246 WeakPolarHBondContact O-CD1 3.39Å; F194-I246 WeakPolarHBondContact O-CG1 3.33Å; I246-Q253 HydrophobicContact CG2-CB 4.29Å; I246-Q253 HydrophobicContact CG2-CG 3.7Å; I246-I260 HydrophobicContact CB-CB 4.17Å; I246-I260 HydrophobicContact CB-CD1 3.46Å; I246-I260 VanDerWaalsContact CB-CD1 3.46Å; I246-I260 HydrophobicContact CB-CG1 3.97Å; I246-I260 HydrophobicContact CB-CG2 3.3Å; I246-I260 HydrophobicContact CD1-CB 3.92Å; I246-I260 HydrophobicContact CD1-CD1 3.57Å; I246-I260 HydrophobicContact CD1-CG1 3.29Å; I246-I260 HydrophobicContact CD1-CG2 3.64Å; I246-I260 HydrophobicContact CG1-CB 4.3Å; I246-I260 HydrophobicContact CG1-CD1 3.94Å; I246-I260 HydrophobicContact CG1-CG1 4Å; I246-I260 HydrophobicContact CG1-CG2 3.51Å; I246-I260 HydrophobicContact CG2-CD1 3.49Å; I246-I260 VanDerWaalsContact CG2-CD1 3.49Å; I246-I260 HydrophobicContact CG2-CG1 4.45Å; I246-I260 VanDerWaalsContact N-CG2 3.33Å
247	G	31	Very low	54	Low	12 Å²	12	32 Å²	32	12%	0.124	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.6	11.7	-166.7	0	0	0	0	0	118.3	I245 R249	I245-G247 PolarHBondContact O-N 2.63Å; G247-R249 VanDerWaalsContact C-N 3.28Å; G247-R249 PolarHBondContact O-N 3.11Å
248	I	33.5	Very low	53.7	Low	11 Å²	11	29.7 Å²	29.7	6%	0.056	15%	0.15	C	C	.	.	S	Bend	trans	-97.9	27.2	177.7	-39.7	-148.9	0	0	0	112.8	K106 D172 D173 W279	K106-I248 HydrophobicContact CD-CG2 3.33Å; K106-I248 WeakPolarHBondContact CE-O 3.36Å; K106-I248 HydrophobicContact CG-CG2 3.17Å; K106-I248 PolarHBondContact NZ-O 3.1Å; D172-I248 WeakPolarHBondContact OD1-CG2 3.38Å; D173-I248 HydrophobicContact CB-CB 3.95Å; D173-I248 HydrophobicContact CB-CG2 3.94Å; D173-I248 WeakPolarHBondContact CB-O 3.45Å; I248-W279 HydrophobicContact CD1-CB 3.88Å; I248-W279 HydrophobicContact CD1-CD2 4.18Å; I248-W279 HydrophobicContact CD1-CG 3.44Å; I248-W279 VanDerWaalsContact CD1-CG 3.44Å
249	R	34.6	Very low	53.7	Low	39 Å²	39	29.7 Å²	29.7	15%	0.147	15%	0.151	C	C	.	.	S	Bend	trans	-137.6	129	145.4	-160.5	176	-174.8	-162.7	0.1	111.3	R204 T206 D208 F210 N211 G247 L251 D252	R204-R249 VanDerWaalsContact NH2-NH1 3.1Å; T206-R249 VanDerWaalsContact CB-NH2 3.28Å; D208-R249 IonicContact OD1-NH2 3.22Å; F210-R249 HydrophobicContact CD1-CB 4.46Å; F210-R249 HydrophobicContact CD1-CG 3.67Å; F210-R249 HydrophobicContact CE1-CB 4.2Å; F210-R249 HydrophobicContact CE1-CG 3.67Å; N211-R249 WeakPolarHBondContact OD1-CD 3.39Å; G247-R249 VanDerWaalsContact C-N 3.28Å; G247-R249 PolarHBondContact O-N 3.11Å; R249-L251 HydrophobicContact CG-CB 4.33Å; R249-L251 PolarHBondContact O-N 3.31Å; R249-D252 PolarHBondContact O-N 2.84Å
250	M	32	Very low	53.9	Low	128 Å²	128	26.1 Å²	26.1	63%	0.631	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	60.8	146.7	-104.2	-77.2	-66.4	0	0	110.6	P254	M250-P254 HydrophobicContact SD-CB 3.76Å
251	L	36.8	Very low	55	Low	117 Å²	117	25.8 Å²	25.8	61%	0.613	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	176.8	13.3	160.8	-95.9	166.1	0	0	0	114.8	R204 R249	R204-L251 VanDerWaalsContact NH2-CB 3.33Å; R204-L251 PolarHBondContact NH2-O 3.28Å; R204-L251 VanDerWaalsContact NH2-O 3.11Å; R249-L251 HydrophobicContact CG-CB 4.33Å; R249-L251 PolarHBondContact O-N 3.31Å
252	D	41.6	Very low	56.2	Low	61 Å²	61	25.9 Å²	25.9	33%	0.326	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-28.5	148.7	-113	-39.5	0	0	0	113.8	K74 R249	K74-D252 WeakPolarHBondContact CD-O 3.33Å; K74-D252 VanDerWaalsContact CE-O 3.3Å; K74-D252 WeakPolarHBondContact CE-O 3.37Å; K74-D252 PolarHBondContact NZ-O 3.33Å; K74-D252 IonicContact NZ-OD1 3.78Å; K74-D252 PolarHBondContact NZ-OD1 3.44Å; R249-D252 PolarHBondContact O-N 2.84Å
253	Q	46.4	Very low	57.7	Low	23 Å²	23	26.6 Å²	26.6	11%	0.107	14%	0.138	C	C	.	.			trans	-146.3	124.2	157.6	-64.1	-71.2	-26.4	0	0	107.4	K74 I246 Y255	K74-Q253 VanDerWaalsContact CD-CD 3.46Å; K74-Q253 VanDerWaalsContact CG-NE2 3.34Å; I246-Q253 HydrophobicContact CG2-CB 4.29Å; I246-Q253 HydrophobicContact CG2-CG 3.7Å; Q253-Y255 PolarHBondContact O-N 3Å
254	P	53.8	Low	59.3	Low	45 Å²	45	26.6 Å²	26.6	29%	0.292	14%	0.138	S	C	.	.	S	Bend	trans	-66.1	-6.7	176.8	21.9	-26.6	0	0	0	113.1	A75 M250	A75-P254 HydrophobicContact CB-CG 4.11Å; M250-P254 HydrophobicContact SD-CB 3.76Å
255	Y	64.1	Low	61.2	Low	51 Å²	51	26.2 Å²	26.2	20%	0.2	14%	0.135	C	C	.	.	S	Bend	trans	-137.1	130.5	-179	-57.9	-85.9	0	0	0	111	V26 A75 F102 K103 Q253	V26-Y255 HydrophobicContact CB-CD1 4.18Å; V26-Y255 HydrophobicContact CB-CD2 4.4Å; V26-Y255 HydrophobicContact CB-CE1 3.91Å; V26-Y255 HydrophobicContact CB-CE2 4.23Å; V26-Y255 HydrophobicContact CB-CG 4.42Å; V26-Y255 HydrophobicContact CG1-CD1 4.33Å; V26-Y255 HydrophobicContact CG1-CD2 3.68Å; V26-Y255 HydrophobicContact CG1-CE1 4.13Å; V26-Y255 HydrophobicContact CG1-CE2 3.52Å; V26-Y255 HydrophobicContact CG1-CG 4.14Å; V26-Y255 HydrophobicContact CG2-CD1 4.44Å; V26-Y255 HydrophobicContact CG2-CE1 3.69Å; V26-Y255 HydrophobicContact CG2-CE2 4.31Å; A75-Y255 HydrophobicContact CB-CD2 3.73Å; A75-Y255 HydrophobicContact CB-CE2 3.44Å; A75-Y255 VanDerWaalsContact CB-CE2 3.44Å; F102-Y255 CarbonylContact O-C 3.59Å; F102-Y255 VanDerWaalsContact O-CA 3.3Å; F102-Y255 WeakPolarHBondContact O-CA 3.35Å; K103-Y255 HydrophobicContact CG-CD1 4.43Å; K103-Y255 HydrophobicContact CG-CE1 4.3Å; Q253-Y255 PolarHBondContact O-N 3Å
256	M	72.3	Confident	63.3	Low	3 Å²	3	26.6 Å²	26.6	2%	0.015	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-73.2	151.6	167.8	-171	69.2	85.7	0	0	109.7	G101 F102 R104 I245 I260 E261	G101-M256 VanDerWaalsContact CA-O 3.32Å; G101-M256 WeakPolarHBondContact CA-O 3.2Å; F102-M256 VanDerWaalsContact CD1-O 3.26Å; F102-M256 WeakPolarHBondContact CD1-O 3.39Å; F102-M256 HydrophobicContact CD2-CB 3.86Å; F102-M256 HydrophobicContact CD2-CG 4.4Å; F102-M256 VanDerWaalsContact CE1-O 3.28Å; F102-M256 WeakPolarHBondContact CE1-O 3.33Å; F102-M256 HydrophobicContact CE2-CB 3.41Å; F102-M256 VanDerWaalsContact CE2-CB 3.41Å; F102-M256 HydrophobicContact CE2-CG 3.47Å; F102-M256 VanDerWaalsContact CE2-CG 3.47Å; F102-M256 HydrophobicContact CZ-CB 3.89Å; F102-M256 HydrophobicContact CZ-CG 3.69Å; F102-M256 PolarHBondContact N-O 2.86Å; F102-M256 PolarHBondContact O-N 2.9Å; R104-M256 HydrophobicContact CG-CB 4.19Å; R104-M256 HydrophobicContact CG-CE 4.49Å; R104-M256 HydrophobicContact CG-CG 4.43Å; I245-M256 HydrophobicContact CB-CE 4.18Å; I245-M256 HydrophobicContact CG2-CE 3.24Å; I245-M256 HydrophobicContact CG2-SD 3.59Å; I245-M256 VanDerWaalsContact CG2-SD 3.59Å; M256-I260 HydrophobicContact SD-CB 3.92Å; M256-I260 HydrophobicContact SD-CD1 4.46Å; M256-I260 HydrophobicContact SD-CG2 3.56Å; M256-I260 VanDerWaalsContact SD-CG2 3.56Å; M256-E261 HydrophobicContact CE-CG 4.24Å; M256-E261 HydrophobicContact CG-CG 3.39Å; M256-E261 WeakPolarHBondContact CG-OE1 3.31Å; M256-E261 HydrophobicContact SD-CG 3.88Å
257	T	80.4	Confident	65.8	Low	1 Å²	1	27 Å²	27	1%	0.006	14%	0.141	C	C	.	.			trans	-123.4	156.6	170.2	79.7	0	0	0	0	110.8	T28 M99 L259 I260 E261	T28-T257 HydrophobicContact CG2-CG2 3.74Å; M99-T257 HydrophobicContact CB-CG2 3.91Å; T257-L259 PolarHBondContact O-N 2.85Å; T257-I260 HydrophobicContact CG2-CD1 4.21Å; T257-I260 WeakPolarHBondContact O-CB 3.43Å; T257-I260 PolarHBondContact O-N 3.2Å; T257-I260 WeakPolarHBondContact OG1-CD1 3.14Å; T257-I260 VanDerWaalsContact OG1-CG1 3.31Å; T257-I260 WeakPolarHBondContact OG1-CG1 3.26Å; T257-E261 PolarHBondContact O-N 3.36Å
258	D	84.9	Confident	68.6	Low	18 Å²	18	30.7 Å²	30.7	10%	0.096	16%	0.155	C	C	.	.	H	α-helix	trans	-56	-37.5	-178	-169	15.3	0	0	0	112.3	M99 I260 A262 R292 N293 A294 T295	M99-D258 HydrophobicContact CE-CB 3.8Å; D258-I260 VanDerWaalsContact C-N 3.28Å; D258-I260 PolarHBondContact O-N 2.85Å; D258-A262 WeakPolarHBondContact O-CB 3.28Å; D258-A262 PolarHBondContact O-N 3.47Å; D258-R292 HydrophobicContact CB-CB 3.97Å; D258-R292 VanDerWaalsContact OD1-CB 3.31Å; D258-R292 WeakPolarHBondContact OD1-CB 3.29Å; D258-R292 VanDerWaalsContact OD2-CB 3.26Å; D258-R292 WeakPolarHBondContact OD2-CB 3.48Å; D258-N293 PolarHBondContact OD2-N 2.78Å; D258-A294 PolarHBondContact OD1-N 3.07Å; D258-A294 WeakPolarHBondContact OD2-CB 3.5Å; D258-A294 PolarHBondContact OD2-N 3.2Å; D258-T295 PolarHBondContact O-OG1 3.48Å; D258-T295 WeakPolarHBondContact OD1-CB 3.39Å; D258-T295 PolarHBondContact OD1-N 3.27Å; D258-T295 PolarHBondContact OD1-OG1 2.79Å
259	L	83.8	Confident	71.4	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-67.5	-31.1	-179.3	-67.6	-176	0	0	0	112.8	H32 V58 H66 M99 T257 N263 A294	H32-L259 HydrophobicContact CB-CD1 3.93Å; V58-L259 HydrophobicContact CB-CD2 4.26Å; V58-L259 HydrophobicContact CG1-CD2 3.69Å; V58-L259 HydrophobicContact CG2-CD1 4.17Å; V58-L259 HydrophobicContact CG2-CD2 3.53Å; V58-L259 HydrophobicContact CG2-CG 4.45Å; H66-L259 HydrophobicContact CB-CD1 3.94Å; M99-L259 HydrophobicContact CE-CD1 4.38Å; M99-L259 HydrophobicContact CE-CG 3.81Å; M99-L259 HydrophobicContact CG-CD1 4.25Å; M99-L259 HydrophobicContact SD-CD1 4.14Å; M99-L259 HydrophobicContact SD-CG 4.21Å; T257-L259 PolarHBondContact O-N 2.85Å; L259-N263 WeakPolarHBondContact O-CB 3.29Å; L259-N263 PolarHBondContact O-N 3.29Å; L259-N263 PolarHBondContact O-ND2 3.13Å; L259-A294 HydrophobicContact CD2-CB 4.27Å
260	I	80.5	Confident	74.3	Confident	3 Å²	3	33.5 Å²	33.5	2%	0.015	18%	0.175	C	C	.	.	H	α-helix	trans	-71.6	-54.5	179.6	-56.9	172.7	0	0	0	108.6	I245 I246 M256 T257 D258 A262 N263 S264	I245-I260 HydrophobicContact CG2-CG2 3.57Å; I246-I260 HydrophobicContact CB-CB 4.17Å; I246-I260 HydrophobicContact CB-CD1 3.46Å; I246-I260 VanDerWaalsContact CB-CD1 3.46Å; I246-I260 HydrophobicContact CB-CG1 3.97Å; I246-I260 HydrophobicContact CB-CG2 3.3Å; I246-I260 HydrophobicContact CD1-CB 3.92Å; I246-I260 HydrophobicContact CD1-CD1 3.57Å; I246-I260 HydrophobicContact CD1-CG1 3.29Å; I246-I260 HydrophobicContact CD1-CG2 3.64Å; I246-I260 HydrophobicContact CG1-CB 4.3Å; I246-I260 HydrophobicContact CG1-CD1 3.94Å; I246-I260 HydrophobicContact CG1-CG1 4Å; I246-I260 HydrophobicContact CG1-CG2 3.51Å; I246-I260 HydrophobicContact CG2-CD1 3.49Å; I246-I260 VanDerWaalsContact CG2-CD1 3.49Å; I246-I260 HydrophobicContact CG2-CG1 4.45Å; I246-I260 VanDerWaalsContact N-CG2 3.33Å; M256-I260 HydrophobicContact SD-CB 3.92Å; M256-I260 HydrophobicContact SD-CD1 4.46Å; M256-I260 HydrophobicContact SD-CG2 3.56Å; M256-I260 VanDerWaalsContact SD-CG2 3.56Å; T257-I260 HydrophobicContact CG2-CD1 4.21Å; T257-I260 WeakPolarHBondContact O-CB 3.43Å; T257-I260 PolarHBondContact O-N 3.2Å; T257-I260 WeakPolarHBondContact OG1-CD1 3.14Å; T257-I260 VanDerWaalsContact OG1-CG1 3.31Å; T257-I260 WeakPolarHBondContact OG1-CG1 3.26Å; D258-I260 VanDerWaalsContact C-N 3.28Å; D258-I260 PolarHBondContact O-N 2.85Å; I260-A262 VanDerWaalsContact C-N 3.26Å; I260-A262 PolarHBondContact O-N 3.02Å; I260-N263 PolarHBondContact O-N 3.16Å; I260-S264 PolarHBondContact O-N 3.33Å; I260-S264 PolarHBondContact O-OG 2.9Å; I260-S264 VanDerWaalsContact O-OG 3.12Å
261	E	85.7	Confident	77.1	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-56	-45.9	178.8	-72.3	-174.1	152.4	0	0	110.1	F102 R104 M256 T257 S264 M265 W279 T295 Y332	F102-E261 VanDerWaalsContact CE2-CD 3.43Å; F102-E261 HydrophobicContact CE2-CG 4.45Å; F102-E261 VanDerWaalsContact CE2-OE1 3.27Å; F102-E261 WeakPolarHBondContact CE2-OE1 3.43Å; F102-E261 VanDerWaalsContact CE2-OE2 3.24Å; F102-E261 WeakPolarHBondContact CE2-OE2 3.23Å; F102-E261 HydrophobicContact CZ-CG 4.29Å; F102-E261 WeakPolarHBondContact CZ-OE2 3.4Å; R104-E261 IonicContact CZ-OE1 3.36Å; R104-E261 IonicContact NE-OE1 3.4Å; R104-E261 PolarHBondContact NE-OE1 2.96Å; R104-E261 IonicContact NE-OE2 2.71Å; R104-E261 IonicContact NH2-OE1 3.56Å; R104-E261 IonicContact NH2-OE2 3.49Å; R104-E261 PolarHBondContact NH2-OE2 2.98Å; M256-E261 HydrophobicContact CE-CG 4.24Å; M256-E261 HydrophobicContact CG-CG 3.39Å; M256-E261 WeakPolarHBondContact CG-OE1 3.31Å; M256-E261 HydrophobicContact SD-CG 3.88Å; T257-E261 PolarHBondContact O-N 3.36Å; E261-S264 PolarHBondContact O-N 3.29Å; E261-M265 HydrophobicContact CB-CE 4.06Å; E261-M265 WeakPolarHBondContact O-CB 3.27Å; E261-M265 VanDerWaalsContact O-CG 3.29Å; E261-M265 WeakPolarHBondContact O-CG 3.46Å; E261-M265 PolarHBondContact O-N 3.34Å; E261-W279 HydrophobicContact CG-CH2 4.05Å; E261-W279 WeakPolarHBondContact OE1-CH2 3.41Å; E261-W279 WeakPolarHBondContact OE1-CZ3 3.33Å; E261-T295 HydrophobicContact CB-CG2 3.86Å; E261-T295 VanDerWaalsContact CB-OG1 3.28Å; E261-T295 WeakPolarHBondContact CB-OG1 3.1Å; E261-Y332 PolarHBondContact OE1-OH 3.4Å; E261-Y332 PolarHBondContact OE2-OH 3.47Å
262	A	87.1	Confident	79.8	Confident	3 Å²	3	24.8 Å²	24.8	3%	0.025	13%	0.131	C	C	.	.	H	α-helix	trans	-59.2	-48.3	175.7	0	0	0	0	0	112.9	D258 I260 S264 M265 G266 A294 T295 A298	D258-A262 WeakPolarHBondContact O-CB 3.28Å; D258-A262 PolarHBondContact O-N 3.47Å; I260-A262 VanDerWaalsContact C-N 3.26Å; I260-A262 PolarHBondContact O-N 3.02Å; A262-S264 VanDerWaalsContact C-N 3.32Å; A262-S264 PolarHBondContact O-N 3.3Å; A262-M265 PolarHBondContact O-N 3.45Å; A262-G266 PolarHBondContact O-N 3.37Å; A262-A294 VanDerWaalsContact CB-C 3.47Å; A262-A294 HydrophobicContact CB-CB 3.78Å; A262-T295 PolarHBondContact N-OG1 3.23Å; A262-A298 HydrophobicContact CB-CB 4.09Å; A262-A298 VanDerWaalsContact O-CB 3.26Å; A262-A298 WeakPolarHBondContact O-CB 3.24Å
263	N	85.8	Confident	82.3	Confident	16 Å²	16	22.2 Å²	22.2	9%	0.086	12%	0.118	C	C	.	.	H	α-helix	trans	-66.1	-35.1	-177.9	-76.7	-6.5	0	0	0	112.2	L59 F194 L259 I260 H267	L59-N263 WeakPolarHBondContact CD1-O 3.4Å; L59-N263 PolarHBondContact N-OD1 2.85Å; F194-N263 HydrophobicContact CD1-CB 4Å; F194-N263 HydrophobicContact CE1-CB 3.75Å; F194-N263 HydrophobicContact CZ-CB 4.5Å; F194-N263 VanDerWaalsContact CZ-O 3.29Å; F194-N263 WeakPolarHBondContact CZ-O 3.33Å; L259-N263 WeakPolarHBondContact O-CB 3.29Å; L259-N263 PolarHBondContact O-N 3.29Å; L259-N263 PolarHBondContact O-ND2 3.13Å; I260-N263 PolarHBondContact O-N 3.16Å; N263-H267 WeakPolarHBondContact O-CB 3.3Å; N263-H267 PolarHBondContact O-N 3.08Å
264	S	85.7	Confident	84.7	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-70.7	-42.1	175.1	-57.5	0	0	0	0	112.8	F194 I260 E261 A262 G266 H267	F194-S264 WeakPolarHBondContact CD2-OG 3.4Å; I260-S264 PolarHBondContact O-N 3.33Å; I260-S264 PolarHBondContact O-OG 2.9Å; I260-S264 VanDerWaalsContact O-OG 3.12Å; E261-S264 PolarHBondContact O-N 3.29Å; A262-S264 VanDerWaalsContact C-N 3.32Å; A262-S264 PolarHBondContact O-N 3.3Å; S264-G266 VanDerWaalsContact C-N 3.35Å; S264-G266 PolarHBondContact O-N 3.44Å; S264-H267 WeakPolarHBondContact O-CB 3.39Å; S264-H267 PolarHBondContact O-N 3.42Å
265	M	87.2	Confident	86.7	Confident	0 Å²	0	19 Å²	19	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-72.7	-25.4	-179.1	-69.8	179.3	-153.4	0	0	114.1	M171 E261 A262 W279 T295 A298 I299 F314 W316 Y332	M171-M265 HydrophobicContact CE-CG 4.28Å; M171-M265 HydrophobicContact SD-CG 3.91Å; E261-M265 HydrophobicContact CB-CE 4.06Å; E261-M265 WeakPolarHBondContact O-CB 3.27Å; E261-M265 VanDerWaalsContact O-CG 3.29Å; E261-M265 WeakPolarHBondContact O-CG 3.46Å; E261-M265 PolarHBondContact O-N 3.34Å; A262-M265 PolarHBondContact O-N 3.45Å; M265-W279 HydrophobicContact CE-CH2 3.55Å; M265-W279 HydrophobicContact CE-CZ2 3.82Å; M265-T295 HydrophobicContact CE-CG2 3.49Å; M265-T295 VanDerWaalsContact CE-CG2 3.49Å; M265-T295 HydrophobicContact SD-CG2 3.36Å; M265-T295 WeakPolarHBondContact SD-CG2 3.35Å; M265-A298 HydrophobicContact CB-CB 4.22Å; M265-I299 HydrophobicContact SD-CD1 3.62Å; M265-I299 HydrophobicContact SD-CG1 3.47Å; M265-I299 WeakPolarHBondContact SD-CG1 3.4Å; M265-F314 HydrophobicContact CB-CE1 4.1Å; M265-F314 HydrophobicContact CG-CE1 4.42Å; M265-W316 HydrophobicContact CE-CH2 3.56Å; M265-W316 HydrophobicContact CE-CZ3 4.14Å; M265-W316 HydrophobicContact SD-CH2 4.42Å; M265-W316 HydrophobicContact SD-CZ3 4.45Å; M265-Y332 HydrophobicContact CE-CE1 3.76Å; M265-Y332 HydrophobicContact SD-CE1 4.46Å
266	G	87.5	Confident	88.2	Confident	10 Å²	10	16.6 Å²	16.6	10%	0.103	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	12.5	175.6	0	0	0	0	0	113.8	L59 A262 S264 E268 P269	L59-G266 WeakPolarHBondContact CD1-O 3.38Å; A262-G266 PolarHBondContact O-N 3.37Å; S264-G266 VanDerWaalsContact C-N 3.35Å; S264-G266 PolarHBondContact O-N 3.44Å; G266-E268 PolarHBondContact O-N 3.27Å; G266-P269 WeakPolarHBondContact O-CD 3.39Å
267	H	88.1	Confident	89.2	Confident	24 Å²	24	16.5 Å²	16.5	11%	0.111	9%	0.089	C	C	.	.	S	Bend	trans	-67.6	126.5	178.8	-175.9	55.3	0	0	0	110.4	A190 F194 N263 S264 I272 Y275	A190-H267 PolarHBondContact O-CD2 3.5Å; A190-H267 PolarHBondContact O-NE2 3.21Å; F194-H267 HydrophobicContact CE2-CB 4.01Å; F194-H267 AromaticContact CE2-CG 4Å; F194-H267 HydrophobicContact CZ-CB 3.7Å; F194-H267 AromaticContact CZ-CG 3.66Å; F194-H267 AromaticContact CZ-ND1 3.64Å; N263-H267 WeakPolarHBondContact O-CB 3.3Å; N263-H267 PolarHBondContact O-N 3.08Å; S264-H267 WeakPolarHBondContact O-CB 3.39Å; S264-H267 PolarHBondContact O-N 3.42Å; H267-I272 WeakPolarHBondContact O-CD1 3.29Å; H267-Y275 PolarHBondContact O-OH 3.42Å
268	E	89.3	Confident	89.8	Confident	90 Å²	90	16.5 Å²	16.5	42%	0.421	9%	0.089	S	C	.	.	S	Bend	trans	44.6	53.5	175	-64.9	-57.5	145.2	0	0	115	G266 N270 L271 I272	G266-E268 PolarHBondContact O-N 3.27Å; E268-N270 PolarHBondContact O-N 3.18Å; E268-L271 HydrophobicContact CB-CB 4.12Å; E268-L271 PolarHBondContact O-N 3.33Å; E268-I272 HydrophobicContact CB-CD1 4.23Å; E268-I272 HydrophobicContact CB-CG1 4.29Å; E268-I272 PolarHBondContact O-N 2.8Å
269	P	92.2	Very high	90	Very high	33 Å²	33	15.7 Å²	15.7	21%	0.214	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-14.6	-168.4	30.5	-35.3	0	0	0	113	G266 Y275 G306 R307 N312	G266-P269 WeakPolarHBondContact O-CD 3.39Å; P269-Y275 WeakPolarHBondContact CA-OH 3.48Å; P269-G306 CarbonylContact O-C 3.58Å; P269-G306 VanDerWaalsContact O-CA 3.32Å; P269-G306 WeakPolarHBondContact O-CA 3.2Å; P269-R307 PolarHBondContact O-N 2.65Å; P269-N312 WeakPolarHBondContact CB-OD1 3.29Å; P269-N312 PolarHBondContact O-ND2 3.49Å; P269-N312 PolarHBondContact O-OD1 2.94Å
270	N	94.6	Very high	90.3	Very high	76 Å²	76	15.6 Å²	15.6	41%	0.406	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-16	175.4	-70.2	-42.4	0	0	0	113.5	E268 E305 H308	E268-N270 PolarHBondContact O-N 3.18Å; N270-E305 PolarHBondContact OD1-O 3.43Å; N270-H308 PolarHBondContact OD1-N 3.29Å
271	L	91	Very high	90.7	Very high	63 Å²	63	15.7 Å²	15.7	33%	0.33	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-33.4	178.1	-177.2	58.4	0	0	0	111.6	T167 A189 A190 E268	T167-L271 WeakPolarHBondContact CB-O 3.48Å; T167-L271 PolarHBondContact OG1-O 2.88Å; A189-L271 HydrophobicContact CB-CD2 4.2Å; A190-L271 HydrophobicContact CB-CD2 3.49Å; A190-L271 VanDerWaalsContact CB-CD2 3.49Å; A190-L271 HydrophobicContact CB-CG 3.82Å; E268-L271 HydrophobicContact CB-CB 4.12Å; E268-L271 PolarHBondContact O-N 3.33Å
272	I	93.5	Very high	90.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.098	C	C	.	.			trans	-86.9	128.7	176.7	-60.4	174.9	0	0	0	109.1	T167 A169 A190 I241 H267 E268 I274 Y275 N312	T167-I272 HydrophobicContact CG2-CG1 4.24Å; A169-I272 HydrophobicContact CB-CD1 3.95Å; A169-I272 HydrophobicContact CB-CG1 4.47Å; A169-I272 HydrophobicContact CB-CG2 3.59Å; A190-I272 HydrophobicContact CB-CD1 4.43Å; A190-I272 HydrophobicContact CB-CG1 3.95Å; I241-I272 HydrophobicContact CD1-CD1 3.41Å; I241-I272 VanDerWaalsContact CD1-CD1 3.41Å; I241-I272 HydrophobicContact CD1-CG1 3.7Å; I241-I272 HydrophobicContact CG1-CD1 4.42Å; I241-I272 HydrophobicContact CG1-CG1 4.22Å; H267-I272 WeakPolarHBondContact O-CD1 3.29Å; E268-I272 HydrophobicContact CB-CD1 4.23Å; E268-I272 HydrophobicContact CB-CG1 4.29Å; E268-I272 PolarHBondContact O-N 2.8Å; I272-I274 WeakPolarHBondContact CG2-O 3.43Å; I272-Y275 HydrophobicContact CB-CE1 4.31Å; I272-Y275 HydrophobicContact CB-CE2 4.16Å; I272-Y275 HydrophobicContact CD1-CE1 3.66Å; I272-Y275 HydrophobicContact CG2-CD1 4.11Å; I272-Y275 HydrophobicContact CG2-CD2 3.96Å; I272-Y275 HydrophobicContact CG2-CE1 3.82Å; I272-Y275 HydrophobicContact CG2-CE2 3.64Å; I272-Y275 HydrophobicContact CG2-CG 4.17Å; I272-N312 PolarHBondContact O-ND2 3.44Å
273	D	95.5	Very high	90.9	Very high	7 Å²	7	19.5 Å²	19.5	4%	0.037	11%	0.107	C	C	.	.			trans	-88.9	-47.6	174.8	-68.6	-68.6	0	0	0	111.6	V166 T167 R307 I313 L407 R411	V166-D273 WeakPolarHBondContact CA-OD2 3.46Å; V166-D273 HydrophobicContact CG1-CB 3.92Å; T167-D273 PolarHBondContact N-OD2 2.98Å; T167-D273 WeakPolarHBondContact O-CB 3.42Å; T167-D273 PolarHBondContact O-N 3.5Å; D273-R307 HydrophobicContact CB-CG 4.47Å; D273-R307 WeakPolarHBondContact O-CD 3.36Å; D273-R307 WeakPolarHBondContact OD1-CD 3.29Å; D273-R307 IonicContact OD1-CZ 2.59Å; D273-R307 IonicContact OD1-NE 2.92Å; D273-R307 PolarHBondContact OD1-NE 3.31Å; D273-I313 PolarHBondContact O-N 2.97Å; D273-L407 HydrophobicContact CB-CD1 3.76Å; D273-R411 VanDerWaalsContact CG-NH2 3.26Å; D273-R411 IonicContact OD1-CZ 3.39Å; D273-R411 IonicContact OD1-NH1 2.78Å; D273-R411 PolarHBondContact OD1-NH1 3.4Å; D273-R411 IonicContact OD1-NH2 3.74Å; D273-R411 PolarHBondContact OD1-NH2 3.39Å; D273-R411 IonicContact OD2-CZ 2.69Å; D273-R411 IonicContact OD2-NH1 3.24Å; D273-R411 PolarHBondContact OD2-NH1 3.23Å; D273-R411 IonicContact OD2-NH2 3.62Å; D273-R411 PolarHBondContact OD2-NH2 2.78Å
274	I	96.5	Very high	91.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	131.6	-170.6	-55.1	168.3	0	0	0	109.1	V166 T167 T168 A169 I272 I313 V315 A400 F403 A404 L407	V166-I274 HydrophobicContact CG1-CD1 4.1Å; T167-I274 PolarHBondContact O-N 3.25Å; T168-I274 CarbonylContact C-O 3.59Å; T168-I274 WeakPolarHBondContact CA-O 3.45Å; T168-I274 HydrophobicContact CG2-CB 4.18Å; T168-I274 HydrophobicContact CG2-CG2 4.25Å; A169-I274 PolarHBondContact N-O 3.31Å; I272-I274 WeakPolarHBondContact CG2-O 3.43Å; I274-I313 CarbonylContact C-O 3.53Å; I274-I313 WeakPolarHBondContact CA-O 3.17Å; I274-I313 HydrophobicContact CG1-CB 4.19Å; I274-I313 HydrophobicContact CG1-CD1 3.96Å; I274-I313 HydrophobicContact CG2-CB 4.43Å; I274-I313 HydrophobicContact CG2-CG2 4.34Å; I274-V315 HydrophobicContact CG2-CG2 3.73Å; I274-A400 WeakPolarHBondContact CD1-O 3.46Å; I274-A400 HydrophobicContact CG2-CB 3.95Å; I274-F403 HydrophobicContact CD1-CB 3.78Å; I274-A404 HydrophobicContact CD1-CB 4.02Å; I274-L407 HydrophobicContact CD1-CD1 3.92Å; I274-L407 HydrophobicContact CG1-CD1 3.93Å
275	Y	95.9	Very high	91.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	121.9	168.1	-63.2	-96.1	0	0	0	109.1	A169 M171 H267 P269 I272 N312 I313 F314 V315	A169-Y275 HydrophobicContact CB-CD1 3.69Å; A169-Y275 HydrophobicContact CB-CE1 4.15Å; A169-Y275 HydrophobicContact CB-CG 4.28Å; M171-Y275 HydrophobicContact CG-CD1 4.18Å; M171-Y275 HydrophobicContact SD-CD1 3.71Å; M171-Y275 HydrophobicContact SD-CG 4.25Å; H267-Y275 PolarHBondContact O-OH 3.42Å; P269-Y275 WeakPolarHBondContact CA-OH 3.48Å; I272-Y275 HydrophobicContact CB-CE1 4.31Å; I272-Y275 HydrophobicContact CB-CE2 4.16Å; I272-Y275 HydrophobicContact CD1-CE1 3.66Å; I272-Y275 HydrophobicContact CG2-CD1 4.11Å; I272-Y275 HydrophobicContact CG2-CD2 3.96Å; I272-Y275 HydrophobicContact CG2-CE1 3.82Å; I272-Y275 HydrophobicContact CG2-CE2 3.64Å; I272-Y275 HydrophobicContact CG2-CG 4.17Å; Y275-N312 HydrophobicContact CD2-CB 3.95Å; Y275-N312 HydrophobicContact CE2-CB 3.68Å; Y275-I313 PolarHBondContact N-O 3.04Å; Y275-F314 HydrophobicContact CD1-CE1 4.47Å; Y275-F314 AromaticContact CD2-CD1 3.98Å; Y275-F314 HydrophobicContact CD2-CD1 3.98Å; Y275-F314 AromaticContact CD2-CE1 3.52Å; Y275-F314 HydrophobicContact CD2-CE1 3.52Å; Y275-F314 AromaticContact CD2-CZ 3.95Å; Y275-F314 HydrophobicContact CD2-CZ 3.95Å; Y275-F314 HydrophobicContact CE2-CE1 4.1Å; Y275-F314 HydrophobicContact CE2-CZ 4.19Å; Y275-F314 HydrophobicContact CG-CD1 4.02Å; Y275-F314 AromaticContact CG-CE1 3.73Å; Y275-F314 HydrophobicContact CG-CE1 3.73Å; Y275-V315 PolarHBondContact O-N 2.78Å
276	S	94.8	Very high	91.8	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.007	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	119.5	178.9	-173.5	0	0	0	0	110.1	A169 M171	A169-S276 PolarHBondContact O-N 3.28Å; M171-S276 WeakPolarHBondContact CB-O 3.22Å; M171-S276 PolarHBondContact N-O 3.15Å
277	A	93	Very high	92	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	122.5	179.9	0	0	0	0	0	111.6	M171 V315 W316 A317	M171-A277 HydrophobicContact CE-CB 3.68Å; A277-V315 PolarHBondContact N-O 2.57Å; A277-W316 HydrophobicContact CB-CD2 3.53Å; A277-W316 HydrophobicContact CB-CE3 3.53Å; A277-W316 HydrophobicContact CB-CG 4.24Å; A277-W316 HydrophobicContact CB-CH2 3.65Å; A277-W316 HydrophobicContact CB-CZ2 3.65Å; A277-W316 HydrophobicContact CB-CZ3 3.6Å; A277-W316 WeakPolarHBondContact O-CA 3.24Å; A277-A317 PolarHBondContact O-N 3.49Å
278	S	92.3	Very high	92.3	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.007	15%	0.146	C	C	.	.			trans	-113	38.6	-180	-64	0	0	0	0	111.9	R107 S393	R107-S278 PolarHBondContact N-O 3.37Å; S278-S393 PolarHBondContact O-OG 3.06Å; S278-S393 PolarHBondContact OG-O 3.38Å
279	W	89.5	Confident	92.5	Very high	1 Å²	1	24.9 Å²	24.9	0%	0.004	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	161.2	-176.9	57	-92.2	0	0	0	110.6	R104 A105 R107 M171 I245 I248 E261 M265 W316 Y332	R104-W279 HydrophobicContact CB-CE3 4.25Å; R104-W279 HydrophobicContact CG-CE3 3.98Å; R104-W279 HydrophobicContact CG-CZ3 4.08Å; A105-W279 WeakPolarHBondContact O-CA 3.44Å; A105-W279 WeakPolarHBondContact O-CB 3.35Å; R107-W279 PolarHBondContact NH1-O 2.82Å; M171-W279 PolarHBondContact O-NE1 3.05Å; I245-W279 HydrophobicContact CD1-CH2 4.45Å; I245-W279 HydrophobicContact CD1-CZ2 3.39Å; I248-W279 HydrophobicContact CD1-CB 3.88Å; I248-W279 HydrophobicContact CD1-CD2 4.18Å; I248-W279 HydrophobicContact CD1-CG 3.44Å; I248-W279 VanDerWaalsContact CD1-CG 3.44Å; E261-W279 HydrophobicContact CG-CH2 4.05Å; E261-W279 WeakPolarHBondContact OE1-CH2 3.41Å; E261-W279 WeakPolarHBondContact OE1-CZ3 3.33Å; M265-W279 HydrophobicContact CE-CH2 3.55Å; M265-W279 HydrophobicContact CE-CZ2 3.82Å; W279-W316 HydrophobicContact CD2-CZ2 4.06Å; W279-W316 AromaticContact CE2-CZ2 3.93Å; W279-W316 AromaticContact CE3-CZ2 3.92Å; W279-W316 HydrophobicContact CE3-CZ2 3.92Å; W279-W316 AromaticContact CH2-CH2 3.6Å; W279-W316 HydrophobicContact CH2-CH2 3.6Å; W279-W316 AromaticContact CH2-CZ2 3.6Å; W279-W316 HydrophobicContact CH2-CZ2 3.6Å; W279-W316 AromaticContact CZ2-CH2 3.58Å; W279-W316 HydrophobicContact CZ2-CH2 3.58Å; W279-W316 AromaticContact CZ2-CZ2 3.72Å; W279-W316 HydrophobicContact CZ2-CZ2 3.72Å; W279-W316 HydrophobicContact CZ3-CH2 4.17Å; W279-W316 AromaticContact CZ3-CZ2 3.69Å; W279-W316 HydrophobicContact CZ3-CZ2 3.69Å; W279-W316 PolarHBondContact O-NE1 2.95Å; W279-Y332 HydrophobicContact CH2-CE1 4.4Å; W279-Y332 HydrophobicContact CZ3-CE2 4.01Å
280	G	89.9	Confident	92.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	-160.1	176	0	0	0	0	0	111.8	R104 A105	R104-G280 WeakPolarHBondContact CA-O 3.39Å; R104-G280 WeakPolarHBondContact CD-O 3.25Å; A105-G280 PolarHBondContact N-O 3.06Å
281	P	89.7	Confident	92.3	Very high	4 Å²	4	21 Å²	21	3%	0.026	12%	0.116	C	C	.	.	S	Bend	trans	-50.2	171.5	160.9	-24.3	37.6	0	0	0	112.4	D283 T287 D289 D330	P281-D283 PolarHBondContact O-N 3.47Å; P281-T287 HydrophobicContact CB-CG2 3.92Å; P281-D289 HydrophobicContact CB-CB 4.1Å; P281-D289 HydrophobicContact CG-CB 4.04Å; P281-D289 VanDerWaalsContact CG-O 3.28Å; P281-D289 WeakPolarHBondContact CG-O 3.5Å; P281-D330 WeakPolarHBondContact CD-OD1 3.36Å; P281-D330 VanDerWaalsContact CD-OD2 3.31Å; P281-D330 WeakPolarHBondContact CD-OD2 3.5Å; P281-D330 HydrophobicContact CG-CB 4.13Å
282	T	87.5	Confident	92.2	Very high	47 Å²	47	22.1 Å²	22.1	29%	0.288	12%	0.116	S	C	.	.			trans	-77.9	121.9	179.8	-53.8	0	0	0	0	109.3	D284 T287	T282-D284 HydrophobicContact CG2-CB 4.01Å; T282-D284 PolarHBondContact O-N 3.49Å; T282-T287 VanDerWaalsContact O-CB 3.27Å; T282-T287 WeakPolarHBondContact O-CB 3.44Å; T282-T287 PolarHBondContact O-OG1 2.83Å
283	D	90.3	Very high	92	Very high	37 Å²	37	28.1 Å²	28.1	20%	0.198	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	60.8	-179.6	-51.8	-22.6	0	0	0	110.8	R107 P281 D320 D325	R107-D283 IonicContact NE-OD1 2.92Å; R107-D283 IonicContact NE-OD2 2.71Å; R107-D283 PolarHBondContact NE-OD2 3.05Å; R107-D283 IonicContact NH2-OD1 2.93Å; R107-D283 PolarHBondContact NH2-OD1 2.82Å; P281-D283 PolarHBondContact O-N 3.47Å; D283-D320 PolarHBondContact OD2-N 2.81Å; D283-D325 VanDerWaalsContact CA-OD2 3.28Å; D283-D325 WeakPolarHBondContact CA-OD2 3.28Å
284	D	91	Very high	91.7	Very high	60 Å²	60	28.6 Å²	28.6	32%	0.321	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	5.5	-176.4	67.7	-4.4	0	0	0	114.2	T282 K286 T287 D325 K575	T282-D284 HydrophobicContact CG2-CB 4.01Å; T282-D284 PolarHBondContact O-N 3.49Å; D284-K286 PolarHBondContact O-N 3.36Å; D284-K286 WeakPolarHBondContact OD1-CA 3.4Å; D284-K286 WeakPolarHBondContact OD1-CB 3.44Å; D284-K286 PolarHBondContact OD1-N 3.33Å; D284-T287 WeakPolarHBondContact OD1-CB 3.32Å; D284-T287 PolarHBondContact OD1-N 2.97Å; D284-T287 PolarHBondContact OD1-OG1 3.07Å; D284-T287 PolarHBondContact OD2-OG1 3.45Å; D284-D325 PolarHBondContact N-OD2 2.97Å; D284-K575 WeakPolarHBondContact O-CD 3.41Å
285	G	92	Very high	91.5	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.01	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	3.4	-172.8	0	0	0	0	0	113.5	D325 R573 D576	G285-D325 WeakPolarHBondContact CA-OD1 3.4Å; G285-D325 WeakPolarHBondContact CA-OD2 3.26Å; G285-D325 PolarHBondContact N-OD2 3.05Å; G285-R573 VanDerWaalsContact C-NH2 3.34Å; G285-R573 PolarHBondContact O-NE 3.48Å; G285-R573 PolarHBondContact O-NH2 3.41Å; G285-D576 WeakPolarHBondContact O-CB 3.24Å; G285-D576 PolarHBondContact O-N 3.25Å
286	K	93.4	Very high	91.3	Very high	78 Å²	78	31.5 Å²	31.5	34%	0.339	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.9	-36.1	-176.1	-57.6	-167.9	-179.1	-132.5	0	113.2	D284 R552 R573 K575 D577	D284-K286 PolarHBondContact O-N 3.36Å; D284-K286 WeakPolarHBondContact OD1-CA 3.4Å; D284-K286 WeakPolarHBondContact OD1-CB 3.44Å; D284-K286 PolarHBondContact OD1-N 3.33Å; K286-R552 PolarHBondContact O-NH2 2.93Å; K286-R573 PolarHBondContact O-NH2 3.37Å; K286-K575 WeakPolarHBondContact CD-O 3.49Å; K286-K575 WeakPolarHBondContact CE-O 3.38Å; K286-K575 HydrophobicContact CG-CB 4Å; K286-K575 WeakPolarHBondContact CG-O 3.3Å; K286-K575 PolarHBondContact NZ-O 2.92Å; K286-D577 IonicContact NZ-OD1 2.6Å; K286-D577 PolarHBondContact NZ-OD1 3.03Å; K286-D577 IonicContact NZ-OD2 3.47Å; K286-D577 PolarHBondContact NZ-OD2 3.28Å
287	T	92.6	Very high	91.2	Very high	39 Å²	39	39.1 Å²	39.1	24%	0.239	20%	0.196	C	C	.	.			trans	-69	135.2	-173.2	-57.3	0	0	0	0	110.7	P281 T282 D284 D289	P281-T287 HydrophobicContact CB-CG2 3.92Å; T282-T287 VanDerWaalsContact O-CB 3.27Å; T282-T287 WeakPolarHBondContact O-CB 3.44Å; T282-T287 PolarHBondContact O-OG1 2.83Å; D284-T287 WeakPolarHBondContact OD1-CB 3.32Å; D284-T287 PolarHBondContact OD1-N 2.97Å; D284-T287 PolarHBondContact OD1-OG1 3.07Å; D284-T287 PolarHBondContact OD2-OG1 3.45Å; T287-D289 HydrophobicContact CG2-CB 4.1Å
288	V	93.7	Very high	91.1	Very high	36 Å²	36	39.5 Å²	39.5	22%	0.218	20%	0.199	C	C	.	.			trans	-128	108.5	169.1	179.2	0	0	0	0	105.3	C329 R573 F583 W586	V288-C329 HydrophobicContact CG2-CB 4.04Å; V288-R573 VanDerWaalsContact CG2-NH1 3.28Å; V288-F583 HydrophobicContact CB-CE1 4.4Å; V288-F583 HydrophobicContact CG1-CD1 4.08Å; V288-F583 HydrophobicContact CG1-CE1 3.8Å; V288-F583 HydrophobicContact CG2-CE1 3.71Å; V288-F583 HydrophobicContact CG2-CZ 4.22Å; V288-W586 HydrophobicContact CG1-CD2 3.79Å; V288-W586 HydrophobicContact CG1-CE3 3.67Å; V288-W586 HydrophobicContact CG1-CH2 3.65Å; V288-W586 HydrophobicContact CG1-CZ2 3.78Å; V288-W586 HydrophobicContact CG1-CZ3 3.6Å
289	D	92.7	Very high	91.2	Very high	38 Å²	38	39.5 Å²	39.5	20%	0.203	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-156.7	164	-175.8	-164.8	22.7	0	0	0	110.7	R104 P281 T287 C329 G331 W586	R104-D289 IonicContact CZ-OD2 3.26Å; R104-D289 IonicContact NH1-OD2 2.77Å; R104-D289 PolarHBondContact NH1-OD2 3.07Å; R104-D289 IonicContact NH2-OD2 3.82Å; P281-D289 HydrophobicContact CB-CB 4.1Å; P281-D289 HydrophobicContact CG-CB 4.04Å; P281-D289 VanDerWaalsContact CG-O 3.28Å; P281-D289 WeakPolarHBondContact CG-O 3.5Å; T287-D289 HydrophobicContact CG2-CB 4.1Å; D289-C329 PolarHBondContact N-O 3.18Å; D289-G331 PolarHBondContact O-N 3.37Å; D289-W586 WeakPolarHBondContact O-CH2 3.32Å
290	G	91.5	Very high	91.5	Very high	8 Å²	8	41.6 Å²	41.6	8%	0.082	21%	0.212	C	C	.	.			trans	-164.9	-167.4	-177.7	0	0	0	0	0	112.7	R104 R292	R104-G290 PolarHBondContact NH2-O 2.86Å; G290-R292 PolarHBondContact O-N 3.21Å
291	P	92.3	Very high	91.7	Very high	20 Å²	20	45.4 Å²	45.4	13%	0.13	23%	0.228	C	C	.	.			trans	-62.3	132.4	175.1	25	-34.9	0	0	0	111.7	T295 M296 I299 G331 Y332	P291-T295 HydrophobicContact CB-CG2 3.85Å; P291-M296 HydrophobicContact CB-CG 3.73Å; P291-M296 HydrophobicContact CB-SD 3.65Å; P291-M296 HydrophobicContact CG-CE 3.99Å; P291-M296 HydrophobicContact CG-CG 3.85Å; P291-M296 HydrophobicContact CG-SD 3.22Å; P291-M296 WeakPolarHBondContact CG-SD 3.39Å; P291-I299 HydrophobicContact CB-CD1 4.36Å; P291-G331 VanDerWaalsContact CD-C 3.46Å; P291-G331 WeakPolarHBondContact CD-O 3.41Å; P291-Y332 WeakPolarHBondContact CA-OH 3.48Å; P291-Y332 HydrophobicContact CB-CD1 4.16Å; P291-Y332 HydrophobicContact CB-CE1 3.51Å; P291-Y332 HydrophobicContact CG-CD1 4.16Å; P291-Y332 HydrophobicContact CG-CE1 4.01Å
292	R	89.2	Confident	91.9	Very high	87 Å²	87	45.3 Å²	45.3	33%	0.328	23%	0.228	S	C	.	.			trans	-83.4	179.4	173	-66.4	173.7	-169.2	-77.8	-10	110.3	D258 G290 A294 T295 M296	D258-R292 HydrophobicContact CB-CB 3.97Å; D258-R292 VanDerWaalsContact OD1-CB 3.31Å; D258-R292 WeakPolarHBondContact OD1-CB 3.29Å; D258-R292 VanDerWaalsContact OD2-CB 3.26Å; D258-R292 WeakPolarHBondContact OD2-CB 3.48Å; G290-R292 PolarHBondContact O-N 3.21Å; R292-A294 PolarHBondContact O-N 3.24Å; R292-T295 PolarHBondContact O-N 2.54Å; R292-M296 WeakPolarHBondContact O-CB 3.48Å; R292-M296 WeakPolarHBondContact O-CG 3.33Å; R292-M296 PolarHBondContact O-N 3.29Å
293	N	89.7	Confident	92.4	Very high	125 Å²	125	43.1 Å²	43.1	67%	0.668	22%	0.215	S	C	*	.	H	α-helix	trans	-58.4	-42.5	-169.1	-71.5	-1.5	0	0	0	114.4	D258 R297	D258-N293 PolarHBondContact OD2-N 2.78Å; N293-R297 VanDerWaalsContact O-CG 3.25Å; N293-R297 WeakPolarHBondContact O-CG 3.33Å; N293-R297 PolarHBondContact O-N 3.5Å; N293-R297 VanDerWaalsContact O-N 3.09Å
294	A	88.8	Confident	92.6	Very high	17 Å²	17	45.7 Å²	45.7	14%	0.14	23%	0.229	C	C	.	.	H	α-helix	trans	-71.1	-42.3	-179.9	0	0	0	0	0	110.9	D258 L259 A262 R292 R297 A298	D258-A294 PolarHBondContact OD1-N 3.07Å; D258-A294 WeakPolarHBondContact OD2-CB 3.5Å; D258-A294 PolarHBondContact OD2-N 3.2Å; L259-A294 HydrophobicContact CD2-CB 4.27Å; A262-A294 VanDerWaalsContact CB-C 3.47Å; A262-A294 HydrophobicContact CB-CB 3.78Å; R292-A294 PolarHBondContact O-N 3.24Å; A294-R297 WeakPolarHBondContact O-CB 3.49Å; A294-R297 PolarHBondContact O-N 3.27Å; A294-A298 PolarHBondContact O-N 2.72Å
295	T	90.9	Very high	92.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.3	-45	177.4	-55	0	0	0	0	111.4	D258 E261 A262 M265 P291 R292 R297 A298 I299 Y332	D258-T295 PolarHBondContact O-OG1 3.48Å; D258-T295 WeakPolarHBondContact OD1-CB 3.39Å; D258-T295 PolarHBondContact OD1-N 3.27Å; D258-T295 PolarHBondContact OD1-OG1 2.79Å; E261-T295 HydrophobicContact CB-CG2 3.86Å; E261-T295 VanDerWaalsContact CB-OG1 3.28Å; E261-T295 WeakPolarHBondContact CB-OG1 3.1Å; A262-T295 PolarHBondContact N-OG1 3.23Å; M265-T295 HydrophobicContact CE-CG2 3.49Å; M265-T295 VanDerWaalsContact CE-CG2 3.49Å; M265-T295 HydrophobicContact SD-CG2 3.36Å; M265-T295 WeakPolarHBondContact SD-CG2 3.35Å; P291-T295 HydrophobicContact CB-CG2 3.85Å; R292-T295 PolarHBondContact O-N 2.54Å; T295-R297 VanDerWaalsContact C-N 3.33Å; T295-R297 PolarHBondContact O-N 3.36Å; T295-A298 WeakPolarHBondContact O-CB 3.41Å; T295-A298 PolarHBondContact O-N 2.88Å; T295-A298 VanDerWaalsContact O-N 3.13Å; T295-I299 HydrophobicContact CG2-CD1 4.33Å; T295-I299 WeakPolarHBondContact O-CG1 3.48Å; T295-I299 PolarHBondContact O-N 3.43Å; T295-Y332 HydrophobicContact CG2-CE1 3.97Å
296	M	92.6	Very high	93	Very high	61 Å²	61	48.2 Å²	48.2	30%	0.3	24%	0.238	S	C	.	.	H	α-helix	trans	-58.2	-44.1	173.2	-79.7	-59.4	-121.8	0	0	112.3	P291 R292 A298 I299 V300 W337	P291-M296 HydrophobicContact CB-CG 3.73Å; P291-M296 HydrophobicContact CB-SD 3.65Å; P291-M296 HydrophobicContact CG-CE 3.99Å; P291-M296 HydrophobicContact CG-CG 3.85Å; P291-M296 HydrophobicContact CG-SD 3.22Å; P291-M296 WeakPolarHBondContact CG-SD 3.39Å; R292-M296 WeakPolarHBondContact O-CB 3.48Å; R292-M296 WeakPolarHBondContact O-CG 3.33Å; R292-M296 PolarHBondContact O-N 3.29Å; M296-A298 VanDerWaalsContact C-N 3.31Å; M296-A298 PolarHBondContact O-N 3.36Å; M296-I299 PolarHBondContact O-N 3.32Å; M296-V300 WeakPolarHBondContact O-CB 3.47Å; M296-V300 WeakPolarHBondContact O-CG2 3.47Å; M296-V300 PolarHBondContact O-N 3.24Å; M296-W337 HydrophobicContact CE-CE3 4.44Å; M296-W337 HydrophobicContact CE-CH2 4.38Å; M296-W337 HydrophobicContact CE-CZ3 3.55Å; M296-W337 HydrophobicContact SD-CE3 4.4Å; M296-W337 HydrophobicContact SD-CZ3 3.93Å
297	R	92.2	Very high	93.1	Very high	162 Å²	162	44.9 Å²	44.9	61%	0.611	22%	0.223	S	C	*	.	H	α-helix	trans	-62.2	-39.7	175.6	-74.6	171.6	-176.9	178.9	-1.7	111.7	N293 A294 T295 K301	N293-R297 VanDerWaalsContact O-CG 3.25Å; N293-R297 WeakPolarHBondContact O-CG 3.33Å; N293-R297 PolarHBondContact O-N 3.5Å; N293-R297 VanDerWaalsContact O-N 3.09Å; A294-R297 WeakPolarHBondContact O-CB 3.49Å; A294-R297 PolarHBondContact O-N 3.27Å; T295-R297 VanDerWaalsContact C-N 3.33Å; T295-R297 PolarHBondContact O-N 3.36Å; R297-K301 VanDerWaalsContact O-CB 3.22Å; R297-K301 WeakPolarHBondContact O-CB 3.3Å; R297-K301 PolarHBondContact O-N 3.03Å
298	A	91.7	Very high	93.2	Very high	8 Å²	8	50.5 Å²	50.5	7%	0.066	25%	0.247	C	C	.	.	H	α-helix	trans	-64.2	-46.8	177.5	0	0	0	0	0	111.9	A262 M265 A294 T295 M296 K301 G302	A262-A298 HydrophobicContact CB-CB 4.09Å; A262-A298 VanDerWaalsContact O-CB 3.26Å; A262-A298 WeakPolarHBondContact O-CB 3.24Å; M265-A298 HydrophobicContact CB-CB 4.22Å; A294-A298 PolarHBondContact O-N 2.72Å; T295-A298 WeakPolarHBondContact O-CB 3.41Å; T295-A298 PolarHBondContact O-N 2.88Å; T295-A298 VanDerWaalsContact O-N 3.13Å; M296-A298 VanDerWaalsContact C-N 3.31Å; M296-A298 PolarHBondContact O-N 3.36Å; A298-K301 PolarHBondContact O-N 2.82Å; A298-G302 PolarHBondContact O-N 2.93Å
299	I	94.4	Very high	93.4	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-60.3	-50.7	175.5	-65.3	169.7	0	0	0	110.5	M265 P291 T295 M296 K301 G302 V303 F314 Y332 W337	M265-I299 HydrophobicContact SD-CD1 3.62Å; M265-I299 HydrophobicContact SD-CG1 3.47Å; M265-I299 WeakPolarHBondContact SD-CG1 3.4Å; P291-I299 HydrophobicContact CB-CD1 4.36Å; T295-I299 HydrophobicContact CG2-CD1 4.33Å; T295-I299 WeakPolarHBondContact O-CG1 3.48Å; T295-I299 PolarHBondContact O-N 3.43Å; M296-I299 PolarHBondContact O-N 3.32Å; I299-K301 VanDerWaalsContact C-N 3.28Å; I299-K301 PolarHBondContact O-N 3.24Å; I299-G302 PolarHBondContact O-N 3.31Å; I299-G302 VanDerWaalsContact O-N 3.1Å; I299-V303 WeakPolarHBondContact O-CG2 3.43Å; I299-V303 PolarHBondContact O-N 3.29Å; I299-F314 HydrophobicContact CG2-CD2 4.14Å; I299-F314 HydrophobicContact CG2-CE2 4.16Å; I299-Y332 HydrophobicContact CD1-CD1 4.39Å; I299-Y332 HydrophobicContact CD1-CE1 4.37Å; I299-W337 HydrophobicContact CG2-CB 3.63Å; I299-W337 HydrophobicContact CG2-CG 4.29Å
300	V	94.7	Very high	93.6	Very high	45 Å²	45	51.5 Å²	51.5	27%	0.273	26%	0.262	S	S	.	.	H	α-helix	trans	-60.8	-38.6	-179.6	171.5	0	0	0	0	111.4	M296 V303 N304 W337	M296-V300 WeakPolarHBondContact O-CB 3.47Å; M296-V300 WeakPolarHBondContact O-CG2 3.47Å; M296-V300 PolarHBondContact O-N 3.24Å; V300-V303 VanDerWaalsContact O-CG2 3.28Å; V300-V303 WeakPolarHBondContact O-CG2 3.29Å; V300-N304 WeakPolarHBondContact CG1-ND2 3.35Å; V300-N304 WeakPolarHBondContact O-CB 3.26Å; V300-N304 VanDerWaalsContact O-CG 3.28Å; V300-N304 PolarHBondContact O-N 3.07Å; V300-N304 PolarHBondContact O-ND2 3.03Å; V300-W337 HydrophobicContact CG2-CD2 4.11Å; V300-W337 HydrophobicContact CG2-CE3 4.18Å; V300-W337 HydrophobicContact CG2-CH2 3.91Å; V300-W337 HydrophobicContact CG2-CZ2 3.79Å; V300-W337 HydrophobicContact CG2-CZ3 4.1Å
301	K	94	Very high	93.9	Very high	79 Å²	79	51.1 Å²	51.1	34%	0.343	26%	0.258	S	S	.	.	H	α-helix	trans	-66	-46	173.6	-173.2	179.1	-178.1	-176.4	0	111.2	R297 A298 I299 V303 N304 E305	R297-K301 VanDerWaalsContact O-CB 3.22Å; R297-K301 WeakPolarHBondContact O-CB 3.3Å; R297-K301 PolarHBondContact O-N 3.03Å; A298-K301 PolarHBondContact O-N 2.82Å; I299-K301 VanDerWaalsContact C-N 3.28Å; I299-K301 PolarHBondContact O-N 3.24Å; K301-V303 PolarHBondContact O-N 3.29Å; K301-N304 PolarHBondContact O-N 2.79Å; K301-E305 WeakPolarHBondContact CE-OE2 3.36Å; K301-E305 HydrophobicContact CG-CB 4.37Å; K301-E305 HydrophobicContact CG-CG 4.39Å; K301-E305 WeakPolarHBondContact O-CB 3.4Å; K301-E305 PolarHBondContact O-N 2.76Å
302	G	95.6	Very high	94.1	Very high	2 Å²	2	50.2 Å²	50.2	2%	0.021	25%	0.252	C	S	.	.	H	α-helix	trans	-58	-45.7	178.8	0	0	0	0	0	112.9	A298 I299 N304 G306 G311 N312	A298-G302 PolarHBondContact O-N 2.93Å; I299-G302 PolarHBondContact O-N 3.31Å; I299-G302 VanDerWaalsContact O-N 3.1Å; G302-N304 VanDerWaalsContact C-N 3.33Å; G302-N304 PolarHBondContact O-N 2.8Å; G302-G306 VanDerWaalsContact O-CA 3.28Å; G302-G306 WeakPolarHBondContact O-CA 3.13Å; G302-G306 PolarHBondContact O-N 3.24Å; G302-G311 CarbonylContact O-C 3.54Å; G302-G311 WeakPolarHBondContact O-CA 3.28Å; G302-N312 WeakPolarHBondContact CA-OD1 3.49Å; G302-N312 PolarHBondContact O-N 3.27Å; G302-N312 PolarHBondContact O-OD1 3.47Å; G302-N312 VanDerWaalsContact O-OD1 3.12Å
303	V	96.2	Very high	94.5	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.012	24%	0.237	C	C	.	.	H	α-helix	trans	-72.1	-22.2	178.7	-60	0	0	0	0	114.2	I299 V300 K301 G311 F314 W337 W415	I299-V303 WeakPolarHBondContact O-CG2 3.43Å; I299-V303 PolarHBondContact O-N 3.29Å; V300-V303 VanDerWaalsContact O-CG2 3.28Å; V300-V303 WeakPolarHBondContact O-CG2 3.29Å; K301-V303 PolarHBondContact O-N 3.29Å; V303-G311 VanDerWaalsContact O-CA 3.22Å; V303-G311 WeakPolarHBondContact O-CA 3.35Å; V303-F314 HydrophobicContact CG1-CD2 3.82Å; V303-F314 HydrophobicContact CG1-CE2 3.84Å; V303-W337 HydrophobicContact CG1-CB 3.99Å; V303-W337 HydrophobicContact CG2-CG 4.26Å; V303-W415 HydrophobicContact CB-CD2 4.15Å; V303-W415 HydrophobicContact CB-CG 4.23Å; V303-W415 HydrophobicContact CB-CZ2 4.4Å; V303-W415 HydrophobicContact CG1-CD2 4.31Å; V303-W415 HydrophobicContact CG1-CG 4.47Å; V303-W415 PolarHBondContact O-NE1 2.77Å
304	N	95	Very high	94.9	Very high	91 Å²	91	40.3 Å²	40.3	49%	0.487	21%	0.205	S	C	.	.	H	α-helix	trans	-97.6	-34.6	-179	-70.5	-34.7	0	0	0	113.4	V300 K301 G302	V300-N304 WeakPolarHBondContact CG1-ND2 3.35Å; V300-N304 WeakPolarHBondContact O-CB 3.26Å; V300-N304 VanDerWaalsContact O-CG 3.28Å; V300-N304 PolarHBondContact O-N 3.07Å; V300-N304 PolarHBondContact O-ND2 3.03Å; K301-N304 PolarHBondContact O-N 2.79Å; G302-N304 VanDerWaalsContact C-N 3.33Å; G302-N304 PolarHBondContact O-N 2.8Å
305	E	95.9	Very high	95.3	Very high	114 Å²	114	39.5 Å²	39.5	53%	0.533	20%	0.199	S	C	.	.	H	α-helix	trans	-118.6	-22.5	-170.7	-61.8	175.8	-155.5	0	0	113.1	N270 K301 G309	N270-E305 PolarHBondContact OD1-O 3.43Å; K301-E305 WeakPolarHBondContact CE-OE2 3.36Å; K301-E305 HydrophobicContact CG-CB 4.37Å; K301-E305 HydrophobicContact CG-CG 4.39Å; K301-E305 WeakPolarHBondContact O-CB 3.4Å; K301-E305 PolarHBondContact O-N 2.76Å; E305-G309 PolarHBondContact O-N 2.97Å
306	G	95.2	Very high	95.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.6	161.8	-179.4	0	0	0	0	0	113.4	P269 G302 H308 G309 L310 G311 N312	P269-G306 CarbonylContact O-C 3.58Å; P269-G306 VanDerWaalsContact O-CA 3.32Å; P269-G306 WeakPolarHBondContact O-CA 3.2Å; G302-G306 VanDerWaalsContact O-CA 3.28Å; G302-G306 WeakPolarHBondContact O-CA 3.13Å; G302-G306 PolarHBondContact O-N 3.24Å; G306-H308 PolarHBondContact O-N 2.91Å; G306-G309 PolarHBondContact O-N 2.81Å; G306-L310 PolarHBondContact O-N 2.85Å; G306-G311 WeakPolarHBondContact O-CA 3.34Å; G306-G311 PolarHBondContact O-N 2.73Å; G306-N312 VanDerWaalsContact CA-OD1 3.31Å; G306-N312 WeakPolarHBondContact CA-OD1 3.49Å
307	R	95.8	Very high	95.7	Very high	7 Å²	7	36.6 Å²	36.6	3%	0.026	18%	0.184	C	C	.	.	H	α-helix	trans	47.3	44.5	-174.4	-63.8	170.7	65.3	-131.8	-9.7	111.7	P269 D273 G309 L310 G311 L407 R411 L413	P269-R307 PolarHBondContact O-N 2.65Å; D273-R307 HydrophobicContact CB-CG 4.47Å; D273-R307 WeakPolarHBondContact O-CD 3.36Å; D273-R307 WeakPolarHBondContact OD1-CD 3.29Å; D273-R307 IonicContact OD1-CZ 2.59Å; D273-R307 IonicContact OD1-NE 2.92Å; D273-R307 PolarHBondContact OD1-NE 3.31Å; R307-G309 VanDerWaalsContact C-N 3.3Å; R307-G309 PolarHBondContact O-N 1.96Å; R307-L310 HydrophobicContact CB-CB 4.07Å; R307-L310 PolarHBondContact O-N 3.15Å; R307-G311 WeakPolarHBondContact CD-O 3.4Å; R307-G311 PolarHBondContact NH1-O 3.14Å; R307-L407 VanDerWaalsContact NH2-CD2 3.32Å; R307-R411 PolarHBondContact NH2-O 3.11Å; R307-L413 PolarHBondContact NH1-O 3.49Å; R307-L413 PolarHBondContact NH2-O 3.05Å
308	H	96.2	Very high	95.8	Very high	158 Å²	158	28.9 Å²	28.9	73%	0.731	16%	0.155	S	C	*	.	H	α-helix	trans	57	38.6	-178.5	-49.2	-69	0	0	0	114	N270 G306	N270-H308 PolarHBondContact OD1-N 3.29Å; G306-H308 PolarHBondContact O-N 2.91Å
309	G	96.2	Very high	95.8	Very high	48 Å²	48	28.5 Å²	28.5	50%	0.495	15%	0.152	S	C	.	.	H	α-helix	trans	92.9	-1.6	178.7	0	0	0	0	0	115.6	E305 G306 R307 G311	E305-G309 PolarHBondContact O-N 2.97Å; G306-G309 PolarHBondContact O-N 2.81Å; R307-G309 VanDerWaalsContact C-N 3.3Å; R307-G309 PolarHBondContact O-N 1.96Å; G309-G311 VanDerWaalsContact C-N 3.31Å
310	L	97.5	Very high	95.7	Very high	47 Å²	47	30 Å²	30	25%	0.246	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-19.8	171.8	-63.7	174.1	0	0	0	112.5	G306 R307 R411 N412 T414 W415	G306-L310 PolarHBondContact O-N 2.85Å; R307-L310 HydrophobicContact CB-CB 4.07Å; R307-L310 PolarHBondContact O-N 3.15Å; L310-R411 VanDerWaalsContact CD1-O 3.25Å; L310-R411 WeakPolarHBondContact CD1-O 3.39Å; L310-N412 WeakPolarHBondContact CD2-O 3.33Å; L310-T414 HydrophobicContact CD2-CG2 4.1Å; L310-T414 CarbonylContact O-C 3.55Å; L310-T414 WeakPolarHBondContact O-CA 3.29Å; L310-T414 WeakPolarHBondContact O-CB 3.43Å; L310-W415 PolarHBondContact O-N 2.73Å; L310-W415 VanDerWaalsContact O-N 3.08Å
311	G	97.7	Very high	95.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.154	C	C	.	.			trans	83.4	134.2	-178.8	0	0	0	0	0	113.5	G302 V303 G306 R307 G309	G302-G311 CarbonylContact O-C 3.54Å; G302-G311 WeakPolarHBondContact O-CA 3.28Å; V303-G311 VanDerWaalsContact O-CA 3.22Å; V303-G311 WeakPolarHBondContact O-CA 3.35Å; G306-G311 WeakPolarHBondContact O-CA 3.34Å; G306-G311 PolarHBondContact O-N 2.73Å; R307-G311 WeakPolarHBondContact CD-O 3.4Å; R307-G311 PolarHBondContact NH1-O 3.14Å; G309-G311 VanDerWaalsContact C-N 3.31Å
312	N	97.2	Very high	95.4	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.14	C	C	.	.			trans	-64.5	151.7	172.2	-59.8	118.3	0	0	0	111.6	P269 I272 Y275 G302 G306 F314 W415	P269-N312 WeakPolarHBondContact CB-OD1 3.29Å; P269-N312 PolarHBondContact O-ND2 3.49Å; P269-N312 PolarHBondContact O-OD1 2.94Å; I272-N312 PolarHBondContact O-ND2 3.44Å; Y275-N312 HydrophobicContact CD2-CB 3.95Å; Y275-N312 HydrophobicContact CE2-CB 3.68Å; G302-N312 WeakPolarHBondContact CA-OD1 3.49Å; G302-N312 PolarHBondContact O-N 3.27Å; G302-N312 PolarHBondContact O-OD1 3.47Å; G302-N312 VanDerWaalsContact O-OD1 3.12Å; G306-N312 VanDerWaalsContact CA-OD1 3.31Å; G306-N312 WeakPolarHBondContact CA-OD1 3.49Å; N312-F314 HydrophobicContact CB-CE2 3.95Å; N312-F314 HydrophobicContact CB-CZ 4.15Å; N312-W415 WeakPolarHBondContact O-CB 3.34Å
313	I	97.7	Very high	95.1	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	116.3	178.9	-61.1	137.2	0	0	0	108.2	D273 I274 Y275 V315 I339 F403 L407 W415 L418	D273-I313 PolarHBondContact O-N 2.97Å; I274-I313 CarbonylContact C-O 3.53Å; I274-I313 WeakPolarHBondContact CA-O 3.17Å; I274-I313 HydrophobicContact CG1-CB 4.19Å; I274-I313 HydrophobicContact CG1-CD1 3.96Å; I274-I313 HydrophobicContact CG2-CB 4.43Å; I274-I313 HydrophobicContact CG2-CG2 4.34Å; Y275-I313 PolarHBondContact N-O 3.04Å; I313-V315 HydrophobicContact CG2-CG2 4.05Å; I313-I339 HydrophobicContact CG2-CD1 4.03Å; I313-F403 HydrophobicContact CG2-CD2 4.21Å; I313-L407 HydrophobicContact CD1-CD1 3.69Å; I313-L407 HydrophobicContact CD1-CD2 4.09Å; I313-L407 HydrophobicContact CD1-CG 4.22Å; I313-W415 HydrophobicContact CG1-CB 4.23Å; I313-L418 HydrophobicContact CD1-CD1 3.3Å; I313-L418 HydrophobicContact CD1-CG 4.34Å; I313-L418 HydrophobicContact CG1-CD1 3.74Å; I313-L418 HydrophobicContact CG2-CD1 4.13Å
314	F	97.4	Very high	94.8	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.009	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	109.1	176.8	-65.8	-82.5	0	0	0	109.5	M265 Y275 I299 V303 N312 T338 I339	M265-F314 HydrophobicContact CB-CE1 4.1Å; M265-F314 HydrophobicContact CG-CE1 4.42Å; Y275-F314 HydrophobicContact CD1-CE1 4.47Å; Y275-F314 AromaticContact CD2-CD1 3.98Å; Y275-F314 HydrophobicContact CD2-CD1 3.98Å; Y275-F314 AromaticContact CD2-CE1 3.52Å; Y275-F314 HydrophobicContact CD2-CE1 3.52Å; Y275-F314 AromaticContact CD2-CZ 3.95Å; Y275-F314 HydrophobicContact CD2-CZ 3.95Å; Y275-F314 HydrophobicContact CE2-CE1 4.1Å; Y275-F314 HydrophobicContact CE2-CZ 4.19Å; Y275-F314 HydrophobicContact CG-CD1 4.02Å; Y275-F314 AromaticContact CG-CE1 3.73Å; Y275-F314 HydrophobicContact CG-CE1 3.73Å; I299-F314 HydrophobicContact CG2-CD2 4.14Å; I299-F314 HydrophobicContact CG2-CE2 4.16Å; V303-F314 HydrophobicContact CG1-CD2 3.82Å; V303-F314 HydrophobicContact CG1-CE2 3.84Å; N312-F314 HydrophobicContact CB-CE2 3.95Å; N312-F314 HydrophobicContact CB-CZ 4.15Å; F314-T338 HydrophobicContact CB-CG2 3.94Å; F314-T338 CarbonylContact O-C 3.6Å; F314-T338 VanDerWaalsContact O-CA 3.29Å; F314-T338 WeakPolarHBondContact O-CA 3.28Å; F314-I339 PolarHBondContact O-N 3.46Å
315	V	97.5	Very high	94.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	130	176.3	-169.9	0	0	0	0	108.6	I274 Y275 A277 I313 I341 A396 A399 A400 F403	I274-V315 HydrophobicContact CG2-CG2 3.73Å; Y275-V315 PolarHBondContact O-N 2.78Å; A277-V315 PolarHBondContact N-O 2.57Å; I313-V315 HydrophobicContact CG2-CG2 4.05Å; V315-I341 HydrophobicContact CG1-CG1 3.76Å; V315-A396 HydrophobicContact CG1-CB 4.24Å; V315-A396 WeakPolarHBondContact CG1-O 3.1Å; V315-A399 HydrophobicContact CG1-CB 4.13Å; V315-A400 HydrophobicContact CG2-CB 4.25Å; V315-F403 HydrophobicContact CG1-CE2 4.27Å; V315-F403 HydrophobicContact CG2-CD2 3.56Å; V315-F403 HydrophobicContact CG2-CE2 3.66Å
316	W	96.2	Very high	94.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	132.5	-174	-139.9	-80.5	0	0	0	110.8	M171 M265 A277 W279 Y332 T338 I339 S340 I341	M171-W316 HydrophobicContact CE-CH2 4.38Å; M171-W316 HydrophobicContact CE-CZ3 4.02Å; M265-W316 HydrophobicContact CE-CH2 3.56Å; M265-W316 HydrophobicContact CE-CZ3 4.14Å; M265-W316 HydrophobicContact SD-CH2 4.42Å; M265-W316 HydrophobicContact SD-CZ3 4.45Å; A277-W316 HydrophobicContact CB-CD2 3.53Å; A277-W316 HydrophobicContact CB-CE3 3.53Å; A277-W316 HydrophobicContact CB-CG 4.24Å; A277-W316 HydrophobicContact CB-CH2 3.65Å; A277-W316 HydrophobicContact CB-CZ2 3.65Å; A277-W316 HydrophobicContact CB-CZ3 3.6Å; A277-W316 WeakPolarHBondContact O-CA 3.24Å; W279-W316 HydrophobicContact CD2-CZ2 4.06Å; W279-W316 AromaticContact CE2-CZ2 3.93Å; W279-W316 AromaticContact CE3-CZ2 3.92Å; W279-W316 HydrophobicContact CE3-CZ2 3.92Å; W279-W316 AromaticContact CH2-CH2 3.6Å; W279-W316 HydrophobicContact CH2-CH2 3.6Å; W279-W316 AromaticContact CH2-CZ2 3.6Å; W279-W316 HydrophobicContact CH2-CZ2 3.6Å; W279-W316 AromaticContact CZ2-CH2 3.58Å; W279-W316 HydrophobicContact CZ2-CH2 3.58Å; W279-W316 AromaticContact CZ2-CZ2 3.72Å; W279-W316 HydrophobicContact CZ2-CZ2 3.72Å; W279-W316 HydrophobicContact CZ3-CH2 4.17Å; W279-W316 AromaticContact CZ3-CZ2 3.69Å; W279-W316 HydrophobicContact CZ3-CZ2 3.69Å; W279-W316 PolarHBondContact O-NE1 2.95Å; W316-Y332 HydrophobicContact CD2-CD1 4.46Å; W316-Y332 HydrophobicContact CD2-CG 4.36Å; W316-Y332 AromaticContact CE2-CD1 3.97Å; W316-Y332 AromaticContact CE2-CG 3.68Å; W316-Y332 HydrophobicContact CE3-CD1 4.39Å; W316-Y332 AromaticContact CH2-CD1 3.36Å; W316-Y332 HydrophobicContact CH2-CD1 3.36Å; W316-Y332 AromaticContact CH2-CE1 3.77Å; W316-Y332 HydrophobicContact CH2-CE1 3.77Å; W316-Y332 AromaticContact CH2-CG 3.91Å; W316-Y332 HydrophobicContact CH2-CG 3.91Å; W316-Y332 AromaticContact CZ2-CD1 3.43Å; W316-Y332 HydrophobicContact CZ2-CD1 3.43Å; W316-Y332 VanDerWaalsContact CZ2-CD1 3.43Å; W316-Y332 HydrophobicContact CZ2-CD2 4.04Å; W316-Y332 HydrophobicContact CZ2-CE1 4.01Å; W316-Y332 AromaticContact CZ2-CG 3.44Å; W316-Y332 HydrophobicContact CZ2-CG 3.44Å; W316-Y332 VanDerWaalsContact CZ2-CG 3.44Å; W316-Y332 AromaticContact CZ3-CD1 3.87Å; W316-Y332 HydrophobicContact CZ3-CD1 3.87Å; W316-T338 HydrophobicContact CE3-CG2 4.12Å; W316-I339 PolarHBondContact N-O 3.17Å; W316-S340 CarbonylContact O-C 3.12Å; W316-S340 WeakPolarHBondContact O-CA 3.49Å; W316-I341 PolarHBondContact O-N 3.46Å
317	A	95.3	Very high	94.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	140.8	169	0	0	0	0	0	110.2	R107 A277 A396	R107-A317 PolarHBondContact NH1-O 3.28Å; A277-A317 PolarHBondContact O-N 3.49Å; A317-A396 HydrophobicContact CB-CB 4.15Å
318	S	93.7	Very high	94.8	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.124	C	C	.	.			trans	-73.8	-31	-176.1	59	0	0	0	0	114.7	C327 S340 I341 N342 T392	S318-C327 WeakPolarHBondContact O-CB 3.27Å; S318-S340 WeakPolarHBondContact CA-OG 3.32Å; S318-S340 WeakPolarHBondContact CB-OG 3.33Å; S318-I341 PolarHBondContact N-O 3.16Å; S318-I341 PolarHBondContact OG-O 3.37Å; S318-N342 VanDerWaalsContact OG-CA 3.27Å; S318-N342 WeakPolarHBondContact OG-CA 3.24Å; S318-N342 VanDerWaalsContact OG-CB 3.28Å; S318-N342 WeakPolarHBondContact OG-CB 3.08Å; S318-N342 PolarHBondContact OG-OD1 2.92Å; S318-T392 WeakPolarHBondContact OG-CG2 3.18Å
319	G	92.2	Very high	94.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.09	C	C	.	.			trans	134.3	149.5	-174.6	0	0	0	0	0	113.8	E355 T392	G319-E355 WeakPolarHBondContact CA-OE1 3.48Å; G319-T392 PolarHBondContact N-OG1 3.3Å; G319-T392 VanDerWaalsContact O-CG2 3.3Å; G319-T392 WeakPolarHBondContact O-CG2 3.4Å
320	D	92.3	Very high	94.8	Very high	32 Å²	32	12.5 Å²	12.5	17%	0.171	7%	0.068	C	C	.	.	S	Bend	trans	-116.9	22.2	-177.9	-70.4	-11	0	0	0	113.8	R107 G108 D283 Y353 E355 T392	R107-D320 WeakPolarHBondContact CA-OD2 3.31Å; R107-D320 VanDerWaalsContact CB-OD2 3.27Å; R107-D320 WeakPolarHBondContact CB-OD2 3.47Å; R107-D320 HydrophobicContact CG-CB 4.49Å; G108-D320 PolarHBondContact N-OD2 3.13Å; D283-D320 PolarHBondContact OD2-N 2.81Å; D320-Y353 CarbonylContact C-O 3.53Å; D320-Y353 VanDerWaalsContact CA-O 3.26Å; D320-Y353 WeakPolarHBondContact CA-O 3.37Å; D320-Y353 HydrophobicContact CB-CD2 4.39Å; D320-Y353 HydrophobicContact CB-CG 4.39Å; D320-Y353 WeakPolarHBondContact O-CB 3.22Å; D320-Y353 WeakPolarHBondContact OD1-CD2 3.42Å; D320-E355 PolarHBondContact N-OE1 2.76Å; D320-T392 WeakPolarHBondContact OD1-CB 3.46Å; D320-T392 WeakPolarHBondContact OD1-CG2 3.15Å; D320-T392 PolarHBondContact OD1-N 3.45Å; D320-T392 PolarHBondContact OD1-OG1 3.02Å
321	G	90.9	Very high	94.6	Very high	14 Å²	14	10.9 Å²	10.9	14%	0.144	6%	0.062	C	C	.	.			trans	-79.3	-13.2	-176.4	0	0	0	0	0	115.6	Y353 E355	G321-Y353 PolarHBondContact N-O 2.75Å; G321-E355 WeakPolarHBondContact CA-OE1 3.31Å; G321-E355 PolarHBondContact N-OE1 3.32Å
322	G	91.5	Very high	94.5	Very high	5 Å²	5	10.9 Å²	10.9	5%	0.052	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	72	-152.6	178.7	0	0	0	0	0	114.3	D324 D325 Y353	G322-D324 VanDerWaalsContact C-N 3.25Å; G322-D324 PolarHBondContact O-N 2.9Å; G322-D325 PolarHBondContact O-N 3.2Å; G322-Y353 WeakPolarHBondContact CA-O 3.38Å; G322-Y353 PolarHBondContact N-O 3.45Å
323	E	88.8	Confident	94.4	Very high	99 Å²	99	10.9 Å²	10.9	46%	0.463	6%	0.063	S	C	.	.	G	3₁₀ helix	trans	-72	-14	-173.2	69.2	-174.6	-168.1	0	0	115.3
324	D	91.3	Very high	94.3	Very high	47 Å²	47	11 Å²	11	25%	0.251	6%	0.064	S	C	.	.	G	3₁₀ helix	trans	-93.6	-1.4	-180	-72.8	-33.9	0	0	0	112.9	G322 R573 P574 K575	G322-D324 VanDerWaalsContact C-N 3.25Å; G322-D324 PolarHBondContact O-N 2.9Å; D324-R573 WeakPolarHBondContact O-CA 3.14Å; D324-P574 WeakPolarHBondContact OD1-CG 3.15Å; D324-K575 HydrophobicContact CB-CD 4.25Å; D324-K575 WeakPolarHBondContact OD2-CE 3.38Å; D324-K575 IonicContact OD2-NZ 3.97Å; D324-K575 PolarHBondContact OD2-NZ 3Å
325	D	93.8	Very high	94.2	Very high	5 Å²	5	11.3 Å²	11.3	3%	0.027	7%	0.066	C	C	.	.			trans	-125.9	167.2	-178.2	-146.1	-7	0	0	0	112.4	D283 D284 G285 G322 E355 R573	D283-D325 VanDerWaalsContact CA-OD2 3.28Å; D283-D325 WeakPolarHBondContact CA-OD2 3.28Å; D284-D325 PolarHBondContact N-OD2 2.97Å; G285-D325 WeakPolarHBondContact CA-OD1 3.4Å; G285-D325 WeakPolarHBondContact CA-OD2 3.26Å; G285-D325 PolarHBondContact N-OD2 3.05Å; G322-D325 PolarHBondContact O-N 3.2Å; D325-E355 HydrophobicContact CB-CG 4.17Å; D325-R573 IonicContact OD1-NE 3.99Å
326	D	94.8	Very high	94.2	Very high	2 Å²	2	11.7 Å²	11.7	1%	0.011	7%	0.068	C	C	.	.	B	Isolated β-bridge	trans	-141.9	120.1	-178.6	-165.5	-50.2	0	0	0	111.1	N328 C329 S571 R573	D326-N328 PolarHBondContact O-N 2.71Å; D326-N328 WeakPolarHBondContact OD1-CA 3.5Å; D326-N328 WeakPolarHBondContact OD1-CB 3.38Å; D326-N328 PolarHBondContact OD1-N 2.88Å; D326-C329 VanDerWaalsContact O-CB 3.29Å; D326-C329 WeakPolarHBondContact O-CB 3.3Å; D326-C329 PolarHBondContact O-N 3.4Å; D326-S571 WeakPolarHBondContact CB-OG 3.45Å; D326-S571 WeakPolarHBondContact OD2-CB 3.32Å; D326-S571 PolarHBondContact OD2-N 3.33Å; D326-S571 PolarHBondContact OD2-OG 2.8Å; D326-R573 HydrophobicContact CB-CG 4.27Å
327	C	95.6	Very high	94.2	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-57.8	-22.6	-179.4	84.7	0	0	0	0	112.2	S318 C329 D330 A333 E355 S356 C357 S359	S318-C327 WeakPolarHBondContact O-CB 3.27Å; C327-C329 PolarHBondContact O-N 2.86Å; C327-C329 VanDerWaalsContact O-N 3.15Å; C327-D330 WeakPolarHBondContact O-CA 3.26Å; C327-D330 WeakPolarHBondContact O-CB 3.49Å; C327-D330 PolarHBondContact O-N 3.48Å; C327-A333 HydrophobicContact CB-CB 4.34Å; C327-E355 VanDerWaalsContact CA-OE2 3.26Å; C327-E355 WeakPolarHBondContact CA-OE2 3.38Å; C327-E355 PolarHBondContact N-OE2 3.17Å; C327-S356 PolarHBondContact N-O 2.86Å; C327-C357 HydrophobicContact CB-CB 3.61Å; C327-C357 WeakPolarHBondContact CB-SG 3.34Å; C327-C357 WeakPolarHBondContact SG-CA 3.31Å; C327-C357 WeakPolarHBondContact SG-CB 3.26Å; C327-C357 CovalentContact SG-SG 1.96Å; C327-C357 PolarHBondContact SG-SG 3.14Å; C327-S359 PolarHBondContact SG-OG 2.86Å
328	N	96.4	Very high	94.2	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-73.6	-5.3	-176.5	-142.2	-10.3	0	0	0	110.8	D326 S334 S358 I569 W586 F588 M589	D326-N328 PolarHBondContact O-N 2.71Å; D326-N328 WeakPolarHBondContact OD1-CA 3.5Å; D326-N328 WeakPolarHBondContact OD1-CB 3.38Å; D326-N328 PolarHBondContact OD1-N 2.88Å; N328-S334 WeakPolarHBondContact OD1-CB 3.38Å; N328-S358 PolarHBondContact ND2-OG 2.98Å; N328-I569 WeakPolarHBondContact CB-O 3.33Å; N328-I569 PolarHBondContact ND2-O 3.45Å; N328-W586 PolarHBondContact O-NE1 2.87Å; N328-F588 HydrophobicContact CB-CD1 4.12Å; N328-M589 PolarHBondContact ND2-N 3.04Å; N328-M589 PolarHBondContact ND2-O 3.14Å; N328-M589 PolarHBondContact OD1-N 3.24Å
329	C	96.6	Very high	94.4	Very high	3 Å²	3	14.2 Å²	14.2	2%	0.02	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-92.5	-5.7	167.5	-59.7	0	0	0	0	113	V288 D289 D326 C327 R573 W586	V288-C329 HydrophobicContact CG2-CB 4.04Å; D289-C329 PolarHBondContact N-O 3.18Å; D326-C329 VanDerWaalsContact O-CB 3.29Å; D326-C329 WeakPolarHBondContact O-CB 3.3Å; D326-C329 PolarHBondContact O-N 3.4Å; C327-C329 PolarHBondContact O-N 2.86Å; C327-C329 VanDerWaalsContact O-N 3.15Å; C329-R573 PolarHBondContact SG-NH1 2.84Å; C329-W586 WeakPolarHBondContact O-CZ2 3.39Å
330	D	95.6	Very high	94.7	Very high	5 Å²	5	14.3 Å²	14.3	3%	0.027	8%	0.079	C	C	.	.	B	Isolated β-bridge	trans	-95.2	107.4	165.4	178.2	-3.8	0	0	0	109.7	R107 P281 C327 Y332 A333 S334	R107-D330 IonicContact CZ-OD2 3.72Å; R107-D330 IonicContact NH1-OD2 3.07Å; R107-D330 PolarHBondContact NH1-OD2 3.04Å; R107-D330 IonicContact NH2-OD2 3.26Å; R107-D330 PolarHBondContact NH2-OD2 3.48Å; P281-D330 WeakPolarHBondContact CD-OD1 3.36Å; P281-D330 VanDerWaalsContact CD-OD2 3.31Å; P281-D330 WeakPolarHBondContact CD-OD2 3.5Å; P281-D330 HydrophobicContact CG-CB 4.13Å; C327-D330 WeakPolarHBondContact O-CA 3.26Å; C327-D330 WeakPolarHBondContact O-CB 3.49Å; C327-D330 PolarHBondContact O-N 3.48Å; D330-Y332 PolarHBondContact O-N 3Å; D330-Y332 VanDerWaalsContact O-N 3.13Å; D330-Y332 WeakPolarHBondContact OD1-CA 3.4Å; D330-Y332 VanDerWaalsContact OD1-CB 3.3Å; D330-Y332 WeakPolarHBondContact OD1-CB 3.48Å; D330-Y332 WeakPolarHBondContact OD1-CD2 3.4Å; D330-Y332 PolarHBondContact OD1-N 3.44Å; D330-A333 HydrophobicContact CB-CB 4.1Å; D330-A333 PolarHBondContact O-N 2.72Å; D330-A333 PolarHBondContact OD1-N 3.36Å; D330-S334 WeakPolarHBondContact O-CB 3.37Å; D330-S334 PolarHBondContact O-N 2.9Å; D330-S334 PolarHBondContact O-OG 2.92Å
331	G	95.2	Very high	94.9	Very high	12 Å²	12	12.8 Å²	12.8	12%	0.124	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-11.5	179.9	0	0	0	0	0	115	D289 P291 S334 S335	D289-G331 PolarHBondContact O-N 3.37Å; P291-G331 VanDerWaalsContact CD-C 3.46Å; P291-G331 WeakPolarHBondContact CD-O 3.41Å; G331-S334 WeakPolarHBondContact CA-OG 3.35Å; G331-S335 WeakPolarHBondContact O-CB 3.29Å
332	Y	95.2	Very high	95.2	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-48.2	171.7	-65	-79.3	0	0	0	111.9	E261 M265 W279 P291 T295 I299 W316 D330 S334 S335 T338	E261-Y332 PolarHBondContact OE1-OH 3.4Å; E261-Y332 PolarHBondContact OE2-OH 3.47Å; M265-Y332 HydrophobicContact CE-CE1 3.76Å; M265-Y332 HydrophobicContact SD-CE1 4.46Å; W279-Y332 HydrophobicContact CH2-CE1 4.4Å; W279-Y332 HydrophobicContact CZ3-CE2 4.01Å; P291-Y332 WeakPolarHBondContact CA-OH 3.48Å; P291-Y332 HydrophobicContact CB-CD1 4.16Å; P291-Y332 HydrophobicContact CB-CE1 3.51Å; P291-Y332 HydrophobicContact CG-CD1 4.16Å; P291-Y332 HydrophobicContact CG-CE1 4.01Å; T295-Y332 HydrophobicContact CG2-CE1 3.97Å; I299-Y332 HydrophobicContact CD1-CD1 4.39Å; I299-Y332 HydrophobicContact CD1-CE1 4.37Å; W316-Y332 HydrophobicContact CD2-CD1 4.46Å; W316-Y332 HydrophobicContact CD2-CG 4.36Å; W316-Y332 AromaticContact CE2-CD1 3.97Å; W316-Y332 AromaticContact CE2-CG 3.68Å; W316-Y332 HydrophobicContact CE3-CD1 4.39Å; W316-Y332 AromaticContact CH2-CD1 3.36Å; W316-Y332 HydrophobicContact CH2-CD1 3.36Å; W316-Y332 AromaticContact CH2-CE1 3.77Å; W316-Y332 HydrophobicContact CH2-CE1 3.77Å; W316-Y332 AromaticContact CH2-CG 3.91Å; W316-Y332 HydrophobicContact CH2-CG 3.91Å; W316-Y332 AromaticContact CZ2-CD1 3.43Å; W316-Y332 HydrophobicContact CZ2-CD1 3.43Å; W316-Y332 VanDerWaalsContact CZ2-CD1 3.43Å; W316-Y332 HydrophobicContact CZ2-CD2 4.04Å; W316-Y332 HydrophobicContact CZ2-CE1 4.01Å; W316-Y332 AromaticContact CZ2-CG 3.44Å; W316-Y332 HydrophobicContact CZ2-CG 3.44Å; W316-Y332 VanDerWaalsContact CZ2-CG 3.44Å; W316-Y332 AromaticContact CZ3-CD1 3.87Å; W316-Y332 HydrophobicContact CZ3-CD1 3.87Å; D330-Y332 PolarHBondContact O-N 3Å; D330-Y332 VanDerWaalsContact O-N 3.13Å; D330-Y332 WeakPolarHBondContact OD1-CA 3.4Å; D330-Y332 VanDerWaalsContact OD1-CB 3.3Å; D330-Y332 WeakPolarHBondContact OD1-CB 3.48Å; D330-Y332 WeakPolarHBondContact OD1-CD2 3.4Å; D330-Y332 PolarHBondContact OD1-N 3.44Å; Y332-S334 VanDerWaalsContact C-N 3.32Å; Y332-S335 WeakPolarHBondContact O-CB 3.5Å; Y332-S335 PolarHBondContact O-N 3.22Å; Y332-T338 WeakPolarHBondContact O-CG2 3.33Å; Y332-T338 PolarHBondContact O-OG1 2.93Å
333	A	94.9	Very high	95.3	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.008	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-36.1	176.3	0	0	0	0	0	111.6	C327 D330 S335 S340 S359	C327-A333 HydrophobicContact CB-CB 4.34Å; D330-A333 HydrophobicContact CB-CB 4.1Å; D330-A333 PolarHBondContact O-N 2.72Å; D330-A333 PolarHBondContact OD1-N 3.36Å; A333-S335 VanDerWaalsContact C-N 3.3Å; A333-S335 PolarHBondContact O-N 2.82Å; A333-S340 WeakPolarHBondContact O-CB 3.45Å; A333-S359 PolarHBondContact O-OG 3.04Å
334	S	95.5	Very high	95.6	Very high	4 Å²	4	7.2 Å²	7.2	3%	0.028	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	16.2	178.3	61.4	0	0	0	0	115.4	N328 D330 G331 Y332 S359 M589	N328-S334 WeakPolarHBondContact OD1-CB 3.38Å; D330-S334 WeakPolarHBondContact O-CB 3.37Å; D330-S334 PolarHBondContact O-N 2.9Å; D330-S334 PolarHBondContact O-OG 2.92Å; G331-S334 WeakPolarHBondContact CA-OG 3.35Å; Y332-S334 VanDerWaalsContact C-N 3.32Å; S334-S359 WeakPolarHBondContact CA-OG 3.23Å; S334-M589 WeakPolarHBondContact O-CB 3.35Å; S334-M589 WeakPolarHBondContact O-CE 3.12Å
335	S	96	Very high	95.7	Very high	8 Å²	8	5.5 Å²	5.5	6%	0.056	3%	0.03	C	C	.	.			trans	-86.3	134.7	177.7	176.7	0	0	0	0	111.7	G331 Y332 A333 W337 T338	G331-S335 WeakPolarHBondContact O-CB 3.29Å; Y332-S335 WeakPolarHBondContact O-CB 3.5Å; Y332-S335 PolarHBondContact O-N 3.22Å; A333-S335 VanDerWaalsContact C-N 3.3Å; A333-S335 PolarHBondContact O-N 2.82Å; S335-W337 PolarHBondContact O-N 3.11Å; S335-W337 VanDerWaalsContact O-N 3.12Å; S335-W337 VanDerWaalsContact OG-CE3 3.29Å; S335-W337 PolarHBondContact OG-N 2.93Å; S335-T338 PolarHBondContact O-N 3.15Å; S335-T338 PolarHBondContact O-OG1 2.85Å; S335-T338 VanDerWaalsContact O-OG1 3.11Å
336	M	95.6	Very high	95.5	Very high	8 Å²	8	5.6 Å²	5.6	4%	0.039	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-15.3	173.9	74.7	-174.8	85.7	0	0	113.4	W415 Q419 R499 H540 M589 H626	M336-W415 WeakPolarHBondContact O-CZ3 3.42Å; M336-Q419 PolarHBondContact O-NE2 3.45Å; M336-R499 PolarHBondContact SD-NH1 3.22Å; M336-H540 HydrophobicContact CB-CB 4.18Å; M336-M589 VanDerWaalsContact CA-SD 3.56Å; M336-M589 HydrophobicContact CB-SD 3.8Å; M336-M589 PolarHBondContact N-SD 3.31Å; M336-M589 VanDerWaalsContact N-SD 3.42Å; M336-H626 VanDerWaalsContact CE-CE1 3.47Å; M336-H626 WeakPolarHBondContact CE-CE1 3.39Å
337	W	96.4	Very high	95.4	Very high	44 Å²	44	7.5 Å²	7.5	17%	0.167	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-4.8	-177.6	-57.8	-59.8	0	0	0	113.2	M296 I299 V300 V303 S335	M296-W337 HydrophobicContact CE-CE3 4.44Å; M296-W337 HydrophobicContact CE-CH2 4.38Å; M296-W337 HydrophobicContact CE-CZ3 3.55Å; M296-W337 HydrophobicContact SD-CE3 4.4Å; M296-W337 HydrophobicContact SD-CZ3 3.93Å; I299-W337 HydrophobicContact CG2-CB 3.63Å; I299-W337 HydrophobicContact CG2-CG 4.29Å; V300-W337 HydrophobicContact CG2-CD2 4.11Å; V300-W337 HydrophobicContact CG2-CE3 4.18Å; V300-W337 HydrophobicContact CG2-CH2 3.91Å; V300-W337 HydrophobicContact CG2-CZ2 3.79Å; V300-W337 HydrophobicContact CG2-CZ3 4.1Å; V303-W337 HydrophobicContact CG1-CB 3.99Å; V303-W337 HydrophobicContact CG2-CG 4.26Å; S335-W337 PolarHBondContact O-N 3.11Å; S335-W337 VanDerWaalsContact O-N 3.12Å; S335-W337 VanDerWaalsContact OG-CE3 3.29Å; S335-W337 PolarHBondContact OG-N 2.93Å
338	T	96.8	Very high	95.2	Very high	6 Å²	6	7.5 Å²	7.5	4%	0.037	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	161.7	177.4	63.7	0	0	0	0	109.8	F314 W316 Y332 S335 Q419	F314-T338 HydrophobicContact CB-CG2 3.94Å; F314-T338 CarbonylContact O-C 3.6Å; F314-T338 VanDerWaalsContact O-CA 3.29Å; F314-T338 WeakPolarHBondContact O-CA 3.28Å; W316-T338 HydrophobicContact CE3-CG2 4.12Å; Y332-T338 WeakPolarHBondContact O-CG2 3.33Å; Y332-T338 PolarHBondContact O-OG1 2.93Å; S335-T338 PolarHBondContact O-N 3.15Å; S335-T338 PolarHBondContact O-OG1 2.85Å; S335-T338 VanDerWaalsContact O-OG1 3.11Å; T338-Q419 PolarHBondContact O-NE2 3.41Å
339	I	98.1	Very high	95	Very high	4 Å²	4	9.8 Å²	9.8	2%	0.021	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	102.1	169.9	-53	-172.2	0	0	0	106.3	I313 F314 W316 I341 L361 F403 L418 Q419	I313-I339 HydrophobicContact CG2-CD1 4.03Å; F314-I339 PolarHBondContact O-N 3.46Å; W316-I339 PolarHBondContact N-O 3.17Å; I339-I341 HydrophobicContact CG2-CD1 3.8Å; I339-I341 HydrophobicContact CG2-CG1 4.31Å; I339-L361 HydrophobicContact CG2-CB 4.18Å; I339-L361 HydrophobicContact CG2-CD2 3.98Å; I339-F403 HydrophobicContact CB-CE2 4.42Å; I339-F403 HydrophobicContact CD1-CE2 3.92Å; I339-F403 HydrophobicContact CD1-CZ 3.98Å; I339-F403 HydrophobicContact CG2-CE2 4.14Å; I339-F403 HydrophobicContact CG2-CZ 3.96Å; I339-L418 HydrophobicContact CD1-CB 4.44Å; I339-Q419 HydrophobicContact CD1-CG 3.81Å; I339-Q419 HydrophobicContact CG1-CG 3.77Å
340	S	97.2	Very high	94.8	Very high	2 Å²	2	9.8 Å²	9.8	1%	0.014	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	126.1	175.7	-176.8	0	0	0	0	110.6	W316 S318 A333 L361	W316-S340 CarbonylContact O-C 3.12Å; W316-S340 WeakPolarHBondContact O-CA 3.49Å; S318-S340 WeakPolarHBondContact CA-OG 3.32Å; S318-S340 WeakPolarHBondContact CB-OG 3.33Å; A333-S340 WeakPolarHBondContact O-CB 3.45Å; S340-L361 PolarHBondContact O-N 3.45Å
341	I	97.8	Very high	94.5	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	121.7	-176.9	-58	-65.4	0	0	0	109.4	V315 W316 S318 I339 A362 T364 A395 A399 F403	V315-I341 HydrophobicContact CG1-CG1 3.76Å; W316-I341 PolarHBondContact O-N 3.46Å; S318-I341 PolarHBondContact N-O 3.16Å; S318-I341 PolarHBondContact OG-O 3.37Å; I339-I341 HydrophobicContact CG2-CD1 3.8Å; I339-I341 HydrophobicContact CG2-CG1 4.31Å; I341-A362 WeakPolarHBondContact CA-O 3.48Å; I341-A362 HydrophobicContact CD1-CB 4.18Å; I341-T364 HydrophobicContact CG2-CG2 4.17Å; I341-A395 HydrophobicContact CG2-CB 3.95Å; I341-A399 HydrophobicContact CB-CB 4.36Å; I341-A399 HydrophobicContact CD1-CB 3.8Å; I341-A399 HydrophobicContact CG1-CB 3.61Å; I341-A399 HydrophobicContact CG2-CB 4.02Å; I341-F403 HydrophobicContact CD1-CZ 4.44Å
342	N	96	Very high	94.2	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-177.1	173.5	-155.8	-6.1	0	0	0	110.8	S318 D354 E355 T360 A362 S363 T364 A395 L475	S318-N342 VanDerWaalsContact OG-CA 3.27Å; S318-N342 WeakPolarHBondContact OG-CA 3.24Å; S318-N342 VanDerWaalsContact OG-CB 3.28Å; S318-N342 WeakPolarHBondContact OG-CB 3.08Å; S318-N342 PolarHBondContact OG-OD1 2.92Å; N342-D354 VanDerWaalsContact OD1-CG 3.24Å; N342-D354 PolarHBondContact OD1-OD1 3.27Å; N342-D354 VanDerWaalsContact OD1-OD1 3.06Å; N342-E355 PolarHBondContact ND2-O 2.74Å; N342-T360 HydrophobicContact CB-CG2 3.71Å; N342-A362 PolarHBondContact N-O 2.81Å; N342-A362 VanDerWaalsContact N-O 3.09Å; N342-S363 CarbonylContact O-C 3.57Å; N342-S363 WeakPolarHBondContact O-CA 3.16Å; N342-S363 WeakPolarHBondContact O-CB 2.81Å; N342-S363 PolarHBondContact O-OG 3.21Å; N342-T364 PolarHBondContact O-N 3.33Å; N342-A395 WeakPolarHBondContact O-CB 3.29Å; N342-L475 VanDerWaalsContact CB-O 3.22Å; N342-L475 WeakPolarHBondContact CB-O 3.4Å; N342-L475 PolarHBondContact ND2-O 3.02Å
343	S	94.5	Very high	94	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	164.1	-173.9	87.3	0	0	0	0	114.2	A351 D354 T364	S343-A351 WeakPolarHBondContact OG-CB 3.27Å; S343-D354 PolarHBondContact OG-OD1 3.12Å; S343-D354 PolarHBondContact OG-OD2 3.38Å; S343-T364 CarbonylContact C-O 3.54Å
344	A	93.8	Very high	93.9	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	155.7	166.6	0	0	0	0	0	108.9	E349 T364 F365 S366 L431 F476 I480	A344-E349 WeakPolarHBondContact CA-O 3.3Å; A344-T364 PolarHBondContact N-O 3.27Å; A344-F365 HydrophobicContact CB-CD1 4.43Å; A344-F365 CarbonylContact O-C 3.59Å; A344-F365 VanDerWaalsContact O-CA 3.31Å; A344-F365 WeakPolarHBondContact O-CA 3.22Å; A344-S366 PolarHBondContact O-N 2.78Å; A344-L431 HydrophobicContact CB-CD2 3.79Å; A344-F476 HydrophobicContact CB-CD1 4.33Å; A344-F476 HydrophobicContact CB-CE1 3.9Å; A344-I480 HydrophobicContact CB-CD1 3.84Å
345	I	93.2	Very high	93.7	Very high	11 Å²	11	13.9 Å²	13.9	6%	0.056	7%	0.067	C	C	.	.			trans	-93.3	171	177.5	77.6	177.8	0	0	0	111.4	T347 G348 E349 A351 S366	I345-T347 WeakPolarHBondContact CD1-OG1 2.94Å; I345-T347 VanDerWaalsContact CG1-OG1 3.25Å; I345-T347 WeakPolarHBondContact CG1-OG1 3.17Å; I345-T347 PolarHBondContact O-N 2.72Å; I345-G348 PolarHBondContact O-N 2.99Å; I345-E349 HydrophobicContact CD1-CB 3.78Å; I345-E349 HydrophobicContact CG1-CB 3.85Å; I345-E349 WeakPolarHBondContact CG1-O 3.08Å; I345-E349 PolarHBondContact N-O 3.4Å; I345-A351 HydrophobicContact CG2-CB 4.09Å; I345-S366 WeakPolarHBondContact CA-O 3.28Å
346	N	91.5	Very high	93.5	Very high	7 Å²	7	13.6 Å²	13.6	4%	0.037	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-17.7	-176.5	71.3	-37.4	0	0	0	115.7	W135 N139 W143 G145 K146 T374	W135-N346 HydrophobicContact CD2-CB 3.69Å; W135-N346 HydrophobicContact CE3-CB 3.46Å; W135-N346 VanDerWaalsContact CE3-CB 3.46Å; W135-N346 HydrophobicContact CG-CB 4.44Å; W135-N346 HydrophobicContact CH2-CB 3.83Å; W135-N346 VanDerWaalsContact CH2-N 3.34Å; W135-N346 HydrophobicContact CZ2-CB 4.06Å; W135-N346 HydrophobicContact CZ3-CB 3.55Å; N139-N346 PolarHBondContact ND2-O 3.47Å; W143-N346 PolarHBondContact O-ND2 3.22Å; G145-N346 CarbonylContact C-O 3.47Å; G145-N346 VanDerWaalsContact CA-ND2 3.33Å; G145-N346 WeakPolarHBondContact CA-ND2 3.42Å; G145-N346 WeakPolarHBondContact CA-O 3.42Å; G145-N346 PolarHBondContact N-ND2 3.12Å; K146-N346 PolarHBondContact N-O 3.06Å; N346-T374 WeakPolarHBondContact ND2-CG2 3.41Å
347	T	91.1	Very high	93.3	Very high	43 Å²	43	13.2 Å²	13.2	26%	0.264	6%	0.063	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-12.1	175.6	62.5	0	0	0	0	113.9	I345 E349	I345-T347 WeakPolarHBondContact CD1-OG1 2.94Å; I345-T347 VanDerWaalsContact CG1-OG1 3.25Å; I345-T347 WeakPolarHBondContact CG1-OG1 3.17Å; I345-T347 PolarHBondContact O-N 2.72Å; T347-E349 PolarHBondContact OG1-N 3.05Å
348	G	91.6	Very high	93.3	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.056	C	C	.	.	S	Bend	trans	91.3	-0.5	-170.9	0	0	0	0	0	114.8	L149 I345 L431 Y432	L149-G348 VanDerWaalsContact CD2-CA 3.43Å; I345-G348 PolarHBondContact O-N 2.99Å; G348-L431 VanDerWaalsContact O-CA 3.3Å; G348-L431 WeakPolarHBondContact O-CA 3.15Å; G348-Y432 PolarHBondContact O-N 3.17Å
349	E	92.4	Very high	93.3	Very high	47 Å²	47	11 Å²	11	22%	0.22	6%	0.055	C	C	.	.	B	Isolated β-bridge	trans	-71.3	151	170.8	-161.6	-175.4	157.8	0	0	110.8	A344 I345 T347 Y432	A344-E349 WeakPolarHBondContact CA-O 3.3Å; I345-E349 HydrophobicContact CD1-CB 3.78Å; I345-E349 HydrophobicContact CG1-CB 3.85Å; I345-E349 WeakPolarHBondContact CG1-O 3.08Å; I345-E349 PolarHBondContact N-O 3.4Å; T347-E349 PolarHBondContact OG1-N 3.05Å; E349-Y432 WeakPolarHBondContact CA-O 3.49Å; E349-Y432 HydrophobicContact CB-CE1 4.33Å; E349-Y432 HydrophobicContact CB-CE2 4.18Å; E349-Y432 HydrophobicContact CG-CE2 3.94Å
350	N	91.7	Very high	93.2	Very high	3 Å²	3	10.8 Å²	10.8	2%	0.016	5%	0.054	C	C	.	.	P	Polyproline II helix	trans	-64.5	148.1	164.6	65.7	-63.9	0	0	0	111.2	Y432 D433 G434 L475 F476	N350-Y432 PolarHBondContact N-O 3.34Å; N350-D433 WeakPolarHBondContact OD1-CA 3.38Å; N350-D433 PolarHBondContact OD1-OD1 3.03Å; N350-G434 PolarHBondContact OD1-N 2.88Å; N350-L475 HydrophobicContact CB-CD1 3.81Å; N350-F476 HydrophobicContact CB-CE1 4.01Å; N350-F476 HydrophobicContact CB-CZ 3.71Å
351	A	91.1	Very high	93.2	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.054	C	C	.	.	P	Polyproline II helix	trans	-70.4	161.7	171.1	0	0	0	0	0	111.7	S343 I345 Y353 D354	S343-A351 WeakPolarHBondContact OG-CB 3.27Å; I345-A351 HydrophobicContact CG2-CB 4.09Å; A351-Y353 VanDerWaalsContact C-N 3.27Å; A351-Y353 HydrophobicContact CB-CD1 4.34Å; A351-Y353 HydrophobicContact CB-CD2 3.99Å; A351-Y353 HydrophobicContact CB-CE1 3.87Å; A351-Y353 HydrophobicContact CB-CE2 3.45Å; A351-Y353 VanDerWaalsContact CB-CE2 3.45Å; A351-Y353 HydrophobicContact CB-CG 4.4Å; A351-Y353 PolarHBondContact O-N 2.82Å; A351-D354 WeakPolarHBondContact CA-OD2 3.36Å; A351-D354 PolarHBondContact N-OD2 2.88Å; A351-D354 PolarHBondContact O-N 2.91Å
352	H	88.8	Confident	93.2	Very high	88 Å²	88	10.9 Å²	10.9	41%	0.407	5%	0.054	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-19.7	-175.1	66.9	-95	0	0	0	115.3	G368	H352-G368 PolarHBondContact ND1-O 3.44Å
353	Y	90.3	Very high	93.3	Very high	18 Å²	18	10.9 Å²	10.9	7%	0.071	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-6.2	178.3	46	-105.1	0	0	0	112.3	D320 G321 G322 A351 E355 S366 N367 G391	D320-Y353 CarbonylContact C-O 3.53Å; D320-Y353 VanDerWaalsContact CA-O 3.26Å; D320-Y353 WeakPolarHBondContact CA-O 3.37Å; D320-Y353 HydrophobicContact CB-CD2 4.39Å; D320-Y353 HydrophobicContact CB-CG 4.39Å; D320-Y353 WeakPolarHBondContact O-CB 3.22Å; D320-Y353 WeakPolarHBondContact OD1-CD2 3.42Å; G321-Y353 PolarHBondContact N-O 2.75Å; G322-Y353 WeakPolarHBondContact CA-O 3.38Å; G322-Y353 PolarHBondContact N-O 3.45Å; A351-Y353 VanDerWaalsContact C-N 3.27Å; A351-Y353 HydrophobicContact CB-CD1 4.34Å; A351-Y353 HydrophobicContact CB-CD2 3.99Å; A351-Y353 HydrophobicContact CB-CE1 3.87Å; A351-Y353 HydrophobicContact CB-CE2 3.45Å; A351-Y353 VanDerWaalsContact CB-CE2 3.45Å; A351-Y353 HydrophobicContact CB-CG 4.4Å; A351-Y353 PolarHBondContact O-N 2.82Å; Y353-E355 PolarHBondContact O-N 2.92Å; Y353-S366 VanDerWaalsContact OH-CB 3.31Å; Y353-S366 WeakPolarHBondContact OH-CB 3.48Å; Y353-S366 PolarHBondContact OH-OG 3.27Å; Y353-N367 VanDerWaalsContact CE1-O 3.29Å; Y353-N367 WeakPolarHBondContact CE1-O 3.45Å; Y353-N367 PolarHBondContact OH-O 3.31Å; Y353-G391 VanDerWaalsContact CE2-CA 3.49Å; Y353-G391 VanDerWaalsContact CZ-CA 3.48Å; Y353-G391 PolarHBondContact OH-N 2.88Å; Y353-G391 VanDerWaalsContact OH-N 3.08Å
354	D	91.6	Very high	93.4	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.005	5%	0.054	C	C	.	.	P	Polyproline II helix	trans	-64.3	124.5	-178.6	-67.5	-17.4	0	0	0	111.1	N342 S343 A351	N342-D354 VanDerWaalsContact OD1-CG 3.24Å; N342-D354 PolarHBondContact OD1-OD1 3.27Å; N342-D354 VanDerWaalsContact OD1-OD1 3.06Å; S343-D354 PolarHBondContact OG-OD1 3.12Å; S343-D354 PolarHBondContact OG-OD2 3.38Å; A351-D354 WeakPolarHBondContact CA-OD2 3.36Å; A351-D354 PolarHBondContact N-OD2 2.88Å; A351-D354 PolarHBondContact O-N 2.91Å
355	E	93.2	Very high	93.5	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.005	5%	0.054	C	C	.	.	P	Polyproline II helix	trans	-81.4	150.9	175.8	-63.1	177	-153.8	0	0	111.4	G319 D320 G321 D325 C327 N342 Y353 L475	G319-E355 WeakPolarHBondContact CA-OE1 3.48Å; D320-E355 PolarHBondContact N-OE1 2.76Å; G321-E355 WeakPolarHBondContact CA-OE1 3.31Å; G321-E355 PolarHBondContact N-OE1 3.32Å; D325-E355 HydrophobicContact CB-CG 4.17Å; C327-E355 VanDerWaalsContact CA-OE2 3.26Å; C327-E355 WeakPolarHBondContact CA-OE2 3.38Å; C327-E355 PolarHBondContact N-OE2 3.17Å; N342-E355 PolarHBondContact ND2-O 2.74Å; Y353-E355 PolarHBondContact O-N 2.92Å; E355-L475 WeakPolarHBondContact O-CD2 3.37Å
356	S	91.5	Very high	93.5	Very high	2 Å²	2	10.4 Å²	10.4	1%	0.014	5%	0.052	C	C	.	.	B	Isolated β-bridge	trans	-71.7	134.5	167.4	174.7	0	0	0	0	109.5	C327 F461	C327-S356 PolarHBondContact N-O 2.86Å; S356-F461 VanDerWaalsContact OG-CZ 3.24Å; S356-F461 WeakPolarHBondContact OG-CZ 3.3Å
357	C	91.4	Very high	93.4	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.051	C	C	.	.			trans	-154.4	105.8	-169.2	-168.1	0	0	0	0	113.2	C327 S359 T360 H474	C327-C357 HydrophobicContact CB-CB 3.61Å; C327-C357 WeakPolarHBondContact CB-SG 3.34Å; C327-C357 WeakPolarHBondContact SG-CA 3.31Å; C327-C357 WeakPolarHBondContact SG-CB 3.26Å; C327-C357 CovalentContact SG-SG 1.96Å; C327-C357 PolarHBondContact SG-SG 3.14Å; C357-S359 PolarHBondContact O-N 3.43Å; C357-S359 PolarHBondContact SG-OG 2.74Å; C357-T360 WeakPolarHBondContact CB-OG1 3.42Å; C357-T360 PolarHBondContact O-N 3.44Å; C357-T360 PolarHBondContact SG-N 2.84Å; C357-T360 PolarHBondContact SG-OG1 3.48Å; C357-H474 CarbonylContact C-O 3.59Å; C357-H474 PolarHBondContact N-O 2.88Å; C357-H474 VanDerWaalsContact O-O 3.12Å
358	S	96	Very high	92.6	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.007	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-9.5	173.1	56.8	0	0	0	0	114.4	N328 S567 M568 M589 T590 T591	N328-S358 PolarHBondContact ND2-OG 2.98Å; S358-S567 VanDerWaalsContact CB-OG 3.24Å; S358-S567 WeakPolarHBondContact CB-OG 3.4Å; S358-M568 WeakPolarHBondContact CB-O 3.49Å; S358-M589 PolarHBondContact OG-O 2.78Å; S358-T590 VanDerWaalsContact O-CA 3.28Å; S358-T590 WeakPolarHBondContact O-CA 3.29Å; S358-T591 PolarHBondContact O-N 2.95Å; S358-T591 PolarHBondContact O-OG1 2.89Å
359	S	96.3	Very high	91.5	Very high	3 Å²	3	10.3 Å²	10.3	2%	0.021	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-15.6	178	58.1	0	0	0	0	113.8	C327 A333 S334 C357 L361 M589	C327-S359 PolarHBondContact SG-OG 2.86Å; A333-S359 PolarHBondContact O-OG 3.04Å; S334-S359 WeakPolarHBondContact CA-OG 3.23Å; C357-S359 PolarHBondContact O-N 3.43Å; C357-S359 PolarHBondContact SG-OG 2.74Å; S359-L361 PolarHBondContact O-N 2.79Å; S359-M589 VanDerWaalsContact CB-CE 3.4Å
360	T	96.9	Very high	90.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.094	C	C	.	.			trans	-58	126	174.8	-71.3	0	0	0	0	109.8	N342 C357 A362 G477	N342-T360 HydrophobicContact CB-CG2 3.71Å; C357-T360 WeakPolarHBondContact CB-OG1 3.42Å; C357-T360 PolarHBondContact O-N 3.44Å; C357-T360 PolarHBondContact SG-N 2.84Å; C357-T360 PolarHBondContact SG-OG1 3.48Å; T360-A362 WeakPolarHBondContact CG2-O 3.2Å; T360-G477 WeakPolarHBondContact O-CA 3.2Å
361	L	97.7	Very high	89.6	Confident	4 Å²	4	21.5 Å²	21.5	2%	0.021	11%	0.111	C	C	.	.			trans	-89.5	-37.5	-179.8	-159.7	67.5	0	0	0	111.6	I339 S340 S359 Q419 T422 V423 F478 T591 W594	I339-L361 HydrophobicContact CG2-CB 4.18Å; I339-L361 HydrophobicContact CG2-CD2 3.98Å; S340-L361 PolarHBondContact O-N 3.45Å; S359-L361 PolarHBondContact O-N 2.79Å; L361-Q419 HydrophobicContact CD2-CB 3.8Å; L361-Q419 HydrophobicContact CD2-CG 3.95Å; L361-T422 HydrophobicContact CB-CG2 4.29Å; L361-T422 HydrophobicContact CD2-CG2 3.72Å; L361-T422 HydrophobicContact CG-CG2 3.82Å; L361-V423 HydrophobicContact CD1-CG2 3.51Å; L361-V423 HydrophobicContact CD2-CG2 4.35Å; L361-V423 HydrophobicContact CG-CG2 3.94Å; L361-F478 HydrophobicContact CD1-CD2 4.18Å; L361-F478 HydrophobicContact CD1-CE2 4.14Å; L361-F478 WeakPolarHBondContact O-CD2 3.46Å; L361-F478 PolarHBondContact O-N 3.21Å; L361-T591 HydrophobicContact CD1-CG2 4.06Å; L361-W594 HydrophobicContact CD1-CE3 4.09Å; L361-W594 HydrophobicContact CD1-CZ3 3.9Å
362	A	97.8	Very high	88.7	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	173.9	-179.7	0	0	0	0	0	110.8	I341 N342 T360 T422 S426 G479 L481	I341-A362 WeakPolarHBondContact CA-O 3.48Å; I341-A362 HydrophobicContact CD1-CB 4.18Å; N342-A362 PolarHBondContact N-O 2.81Å; N342-A362 VanDerWaalsContact N-O 3.09Å; T360-A362 WeakPolarHBondContact CG2-O 3.2Å; A362-T422 HydrophobicContact CB-CG2 3.43Å; A362-T422 VanDerWaalsContact CB-CG2 3.43Å; A362-S426 WeakPolarHBondContact CB-OG 3.26Å; A362-G479 WeakPolarHBondContact CA-O 3.23Å; A362-G479 WeakPolarHBondContact CB-O 3.37Å; A362-L481 HydrophobicContact CB-CD2 3.73Å; A362-L481 HydrophobicContact CB-CG 4.15Å
363	S	97.3	Very high	88	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	162.1	168.9	-70.3	0	0	0	0	111.7	N342 F476 G479 I480 L481	N342-S363 CarbonylContact O-C 3.57Å; N342-S363 WeakPolarHBondContact O-CA 3.16Å; N342-S363 WeakPolarHBondContact O-CB 2.81Å; N342-S363 PolarHBondContact O-OG 3.21Å; S363-F476 WeakPolarHBondContact OG-CA 3.03Å; S363-G479 PolarHBondContact N-O 3.26Å; S363-I480 CarbonylContact O-C 3.55Å; S363-I480 VanDerWaalsContact O-CA 3.24Å; S363-I480 WeakPolarHBondContact O-CA 3.42Å; S363-L481 PolarHBondContact O-N 2.95Å
364	T	96.8	Very high	87.8	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	-149.2	161	55.4	0	0	0	0	107.4	L151 I341 N342 S343 A344 A395 E398 A399 I480 L481	L151-T364 HydrophobicContact CD2-CG2 3.84Å; I341-T364 HydrophobicContact CG2-CG2 4.17Å; N342-T364 PolarHBondContact O-N 3.33Å; S343-T364 CarbonylContact C-O 3.54Å; A344-T364 PolarHBondContact N-O 3.27Å; T364-A395 WeakPolarHBondContact OG1-CA 3.38Å; T364-A395 WeakPolarHBondContact OG1-CB 2.93Å; T364-A395 PolarHBondContact OG1-O 3.28Å; T364-E398 WeakPolarHBondContact CB-OE2 3.41Å; T364-E398 HydrophobicContact CG2-CB 4.27Å; T364-A399 HydrophobicContact CG2-CB 3.89Å; T364-I480 WeakPolarHBondContact O-CD1 3.42Å; T364-L481 HydrophobicContact CG2-CB 4.13Å; T364-L481 HydrophobicContact CG2-CD1 3.62Å; T364-L481 HydrophobicContact CG2-CG 3.91Å
365	F	95.3	Very high	87.7	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	152	-172	-63.5	-71.8	0	0	0	112.8	W135 L149 D150 L151 A344 E398 I480	W135-F365 HydrophobicContact CH2-CB 3.61Å; W135-F365 AromaticContact CH2-CD1 3.98Å; W135-F365 HydrophobicContact CH2-CD1 3.98Å; W135-F365 HydrophobicContact CH2-CG 4.05Å; W135-F365 HydrophobicContact CZ3-CB 3.73Å; W135-F365 AromaticContact CZ3-CD1 3.52Å; W135-F365 HydrophobicContact CZ3-CD1 3.52Å; W135-F365 HydrophobicContact CZ3-CE1 4.29Å; W135-F365 AromaticContact CZ3-CG 3.68Å; W135-F365 HydrophobicContact CZ3-CG 3.68Å; L149-F365 HydrophobicContact CD1-CE1 4.39Å; L149-F365 HydrophobicContact CD1-CZ 4.24Å; L149-F365 HydrophobicContact CD2-CE1 4.35Å; L149-F365 HydrophobicContact CG-CE1 3.88Å; L149-F365 HydrophobicContact CG-CZ 3.98Å; D150-F365 VanDerWaalsContact C-CE2 3.48Å; L151-F365 HydrophobicContact CD2-CD2 3.94Å; L151-F365 HydrophobicContact CD2-CE2 3.9Å; L151-F365 HydrophobicContact CG-CD2 3.84Å; L151-F365 HydrophobicContact CG-CE2 3.91Å; A344-F365 HydrophobicContact CB-CD1 4.43Å; A344-F365 CarbonylContact O-C 3.59Å; A344-F365 VanDerWaalsContact O-CA 3.31Å; A344-F365 WeakPolarHBondContact O-CA 3.22Å; F365-E398 WeakPolarHBondContact CB-OE2 3.13Å; F365-E398 PolarHBondContact N-OE2 3.15Å; F365-I480 HydrophobicContact CD1-CD1 4.46Å; F365-I480 HydrophobicContact CE1-CD1 4.05Å; F365-I480 HydrophobicContact CE1-CG1 4.22Å; F365-I480 HydrophobicContact CE1-CG2 4.49Å; F365-I480 HydrophobicContact CE2-CG2 3.58Å; F365-I480 HydrophobicContact CZ-CB 4.44Å; F365-I480 HydrophobicContact CZ-CD1 4.18Å; F365-I480 HydrophobicContact CZ-CG1 4.04Å; F365-I480 HydrophobicContact CZ-CG2 3.59Å
366	S	93.9	Very high	87.6	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.125	C	C	.	.			trans	-156.9	-178.3	168	-163.5	0	0	0	0	110	A344 I345 Y353 S390 G391	A344-S366 PolarHBondContact O-N 2.78Å; I345-S366 WeakPolarHBondContact CA-O 3.28Å; Y353-S366 VanDerWaalsContact OH-CB 3.31Å; Y353-S366 WeakPolarHBondContact OH-CB 3.48Å; Y353-S366 PolarHBondContact OH-OG 3.27Å; S366-S390 WeakPolarHBondContact OG-CA 3.49Å; S366-G391 VanDerWaalsContact CB-O 3.32Å; S366-G391 WeakPolarHBondContact CB-O 3.24Å; S366-G391 PolarHBondContact OG-N 3.12Å; S366-G391 PolarHBondContact OG-O 3.42Å
367	N	88.7	Confident	87.8	Confident	5 Å²	5	25.3 Å²	25.3	3%	0.027	12%	0.124	C	C	.	.			trans	-103.9	111.1	176.1	-173.7	15.1	0	0	0	112	Y353 G369 N371 T374 G375	Y353-N367 VanDerWaalsContact CE1-O 3.29Å; Y353-N367 WeakPolarHBondContact CE1-O 3.45Å; Y353-N367 PolarHBondContact OH-O 3.31Å; N367-G369 PolarHBondContact OD1-N 3.37Å; N367-N371 PolarHBondContact ND2-O 3.2Å; N367-T374 VanDerWaalsContact CB-O 3.29Å; N367-T374 WeakPolarHBondContact CB-O 3.46Å; N367-T374 VanDerWaalsContact CG-O 3.3Å; N367-T374 PolarHBondContact OD1-OG1 3.37Å; N367-T374 VanDerWaalsContact OD1-OG1 3.05Å; N367-G375 WeakPolarHBondContact ND2-CA 3.33Å; N367-G375 PolarHBondContact ND2-N 3.47Å
368	G	73.8	Confident	88	Confident	12 Å²	12	25.5 Å²	25.5	12%	0.124	13%	0.125	C	C	.	.			trans	-108.4	-6.3	170.7	0	0	0	0	0	113.9	H352	H352-G368 PolarHBondContact ND1-O 3.44Å
369	G	69.1	Low	87.9	Confident	31 Å²	31	25.4 Å²	25.4	32%	0.32	13%	0.125	S	C	.	.	S	Bend	trans	-83.8	169.5	-175.7	0	0	0	0	0	113.8	N367 N371	N367-G369 PolarHBondContact OD1-N 3.37Å; G369-N371 VanDerWaalsContact C-N 3.31Å
370	K	68.1	Low	87.7	Confident	216 Å²	216	25.3 Å²	25.3	94%	0.939	12%	0.124	S	C	*	.	S	Bend	trans	-75.9	-21.8	172.8	-66.6	-175.9	-179	178.7	0	112.7	R372	K370-R372 PolarHBondContact O-N 3.26Å
371	N	75.9	Confident	87.3	Confident	69 Å²	69	25.3 Å²	25.3	37%	0.369	12%	0.124	S	C	.	.			trans	-73.5	128.3	-179.5	-169.8	-3.3	0	0	0	109.4	N367 G369 E373 T374	N367-N371 PolarHBondContact ND2-O 3.2Å; G369-N371 VanDerWaalsContact C-N 3.31Å; N371-E373 VanDerWaalsContact C-N 3.34Å; N371-E373 WeakPolarHBondContact OD1-CB 3.36Å; N371-E373 PolarHBondContact OD1-N 3.15Å; N371-T374 HydrophobicContact CB-CG2 4.05Å; N371-T374 PolarHBondContact O-OG1 2.98Å
372	R	71.7	Confident	86.9	Confident	127 Å²	127	28.6 Å²	28.6	48%	0.479	14%	0.137	S	C	.	.	S	Bend	trans	-76.5	-26.9	177.3	-68.1	-177.7	64.3	-171.8	-1.7	112	S113 K370 T374 G375 K387	S113-R372 PolarHBondContact O-NH2 2.81Å; S113-R372 PolarHBondContact OG-NH1 3.28Å; S113-R372 PolarHBondContact OG-NH2 3.23Å; K370-R372 PolarHBondContact O-N 3.26Å; R372-T374 PolarHBondContact O-N 2.69Å; R372-G375 PolarHBondContact O-N 3.35Å; R372-G375 VanDerWaalsContact O-N 3.14Å; R372-K387 VanDerWaalsContact O-O 3.13Å
373	E	75.5	Confident	86.3	Confident	58 Å²	58	29.9 Å²	29.9	27%	0.271	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-12.8	178.1	-62.3	-65	160.7	0	0	112.6	Y133 W143 N371 G375 K387	Y133-E373 WeakPolarHBondContact CD1-OE2 3.4Å; Y133-E373 WeakPolarHBondContact CE1-OE2 3.41Å; W143-E373 HydrophobicContact CD2-CB 4.06Å; W143-E373 HydrophobicContact CG-CB 4.09Å; N371-E373 VanDerWaalsContact C-N 3.34Å; N371-E373 WeakPolarHBondContact OD1-CB 3.36Å; N371-E373 PolarHBondContact OD1-N 3.15Å; E373-G375 VanDerWaalsContact C-N 3.28Å; E373-K387 IonicContact OE1-NZ 2.85Å; E373-K387 PolarHBondContact OE1-NZ 2.87Å; E373-K387 IonicContact OE2-NZ 2.81Å; E373-K387 PolarHBondContact OE2-NZ 3.41Å
374	T	84.9	Confident	86.2	Confident	5 Å²	5	34.1 Å²	34.1	3%	0.031	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	10.4	171.4	58.1	0	0	0	0	112.7	W135 W143 N346 N367 N371 R372	W135-T374 WeakPolarHBondContact CZ2-O 3.49Å; W135-T374 PolarHBondContact NE1-O 3.2Å; W135-T374 VanDerWaalsContact NE1-O 3.15Å; W143-T374 HydrophobicContact CB-CG2 3.79Å; N346-T374 WeakPolarHBondContact ND2-CG2 3.41Å; N367-T374 VanDerWaalsContact CB-O 3.29Å; N367-T374 WeakPolarHBondContact CB-O 3.46Å; N367-T374 VanDerWaalsContact CG-O 3.3Å; N367-T374 PolarHBondContact OD1-OG1 3.37Å; N367-T374 VanDerWaalsContact OD1-OG1 3.05Å; N371-T374 HydrophobicContact CB-CG2 4.05Å; N371-T374 PolarHBondContact O-OG1 2.98Å; R372-T374 PolarHBondContact O-N 2.69Å
375	G	89.5	Confident	86	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-64.1	158.5	170.6	0	0	0	0	0	113	W135 N367 R372 E373 T377 K387	W135-G375 PolarHBondContact NE1-O 2.97Å; N367-G375 WeakPolarHBondContact ND2-CA 3.33Å; N367-G375 PolarHBondContact ND2-N 3.47Å; R372-G375 PolarHBondContact O-N 3.35Å; R372-G375 VanDerWaalsContact O-N 3.14Å; E373-G375 VanDerWaalsContact C-N 3.28Å; G375-T377 PolarHBondContact O-N 2.93Å; G375-K387 CarbonylContact C-O 3.52Å; G375-K387 WeakPolarHBondContact CA-O 3.43Å
376	V	92.9	Very high	85.9	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	123	168.1	177.6	0	0	0	0	107.8	Y136 E220 K387 H389 A394	Y136-V376 HydrophobicContact CD1-CG1 4.2Å; Y136-V376 HydrophobicContact CE1-CB 4.45Å; Y136-V376 HydrophobicContact CE1-CG1 3.67Å; E220-V376 HydrophobicContact CG-CG1 3.92Å; E220-V376 WeakPolarHBondContact OE2-CG1 3.43Å; V376-K387 CarbonylContact O-C 3.58Å; V376-H389 HydrophobicContact CB-CB 4.15Å; V376-H389 PolarHBondContact N-O 3.44Å; V376-H389 WeakPolarHBondContact O-CB 3.45Å; V376-H389 PolarHBondContact O-N 3.4Å; V376-A394 HydrophobicContact CB-CB 4.03Å; V376-A394 HydrophobicContact CG1-CB 4.24Å; V376-A394 HydrophobicContact CG2-CB 3.72Å
377	T	94.3	Very high	85.7	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	122.9	-178.3	-65.4	0	0	0	0	109.4	L130 Y133 Q134 Y136 G375 T386 K387	L130-T377 HydrophobicContact CB-CG2 3.6Å; L130-T377 HydrophobicContact CD1-CG2 4.02Å; L130-T377 HydrophobicContact CG-CG2 4.45Å; Y133-T377 WeakPolarHBondContact CB-OG1 3.5Å; Y133-T377 PolarHBondContact O-OG1 2.79Å; Q134-T377 HydrophobicContact CG-CG2 4.03Å; Q134-T377 PolarHBondContact NE2-O 2.8Å; Y136-T377 PolarHBondContact OH-O 3.19Å; G375-T377 PolarHBondContact O-N 2.93Å; T377-T386 CarbonylContact C-O 3.5Å; T377-T386 VanDerWaalsContact CA-O 3.24Å; T377-T386 WeakPolarHBondContact CA-O 3.39Å; T377-K387 HydrophobicContact CG2-CG 4.25Å
378	T	95.2	Very high	85.8	Confident	4 Å²	4	38.5 Å²	38.5	3%	0.025	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	-177	-173.3	-173.7	0	0	0	0	111.3	R216 G219 E220 C385 T386 H389	R216-T378 HydrophobicContact CB-CG2 3.69Å; R216-T378 HydrophobicContact CG-CG2 4.02Å; R216-T378 WeakPolarHBondContact O-CG2 3.49Å; R216-T378 PolarHBondContact O-OG1 3.42Å; G219-T378 VanDerWaalsContact C-OG1 3.26Å; G219-T378 VanDerWaalsContact CA-OG1 3.3Å; G219-T378 WeakPolarHBondContact CA-OG1 3.28Å; E220-T378 HydrophobicContact CG-CG2 4.2Å; E220-T378 PolarHBondContact N-OG1 2.8Å; E220-T378 VanDerWaalsContact N-OG1 3.14Å; T378-C385 WeakPolarHBondContact O-CA 3.46Å; T378-T386 HydrophobicContact CG2-CG2 3.7Å; T378-T386 PolarHBondContact N-O 3.03Å; T378-T386 PolarHBondContact O-N 2.84Å; T378-H389 HydrophobicContact CG2-CB 4.02Å
379	T	93.8	Very high	86.6	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	160.6	175.1	53	0	0	0	0	112.5	D181 L182 T215 R216 G219 A223 C230	D181-T379 HydrophobicContact CB-CG2 3.81Å; D181-T379 WeakPolarHBondContact OD2-CG2 3.39Å; L182-T379 HydrophobicContact CG-CG2 4.33Å; T215-T379 PolarHBondContact O-OG1 3.13Å; R216-T379 WeakPolarHBondContact CA-O 3.35Å; R216-T379 WeakPolarHBondContact CG-O 3.48Å; G219-T379 WeakPolarHBondContact CA-OG1 3.39Å; G219-T379 PolarHBondContact N-OG1 3.03Å; A223-T379 HydrophobicContact CB-CG2 4.2Å; C230-T379 HydrophobicContact CB-CG2 4.44Å
380	D	92.6	Very high	87.6	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.175	C	C	.	.			trans	-145.2	177.1	175.1	-148.1	-44.4	0	0	0	109.5	L112 H179 S212 R216 Q384 T386	L112-D380 WeakPolarHBondContact CD2-OD2 3.08Å; H179-D380 PolarHBondContact CD2-O 2.77Å; H179-D380 PolarHBondContact NE2-O 2.88Å; S212-D380 WeakPolarHBondContact CB-OD1 3.28Å; R216-D380 IonicContact CZ-OD2 3.8Å; R216-D380 IonicContact NE-OD1 3.15Å; R216-D380 IonicContact NE-OD2 3.75Å; R216-D380 PolarHBondContact NE-OD2 2.82Å; R216-D380 IonicContact NH2-OD1 2.71Å; R216-D380 IonicContact NH2-OD2 2.85Å; R216-D380 PolarHBondContact NH2-OD2 2.61Å; D380-Q384 CarbonylContact C-O 3.59Å; D380-Q384 WeakPolarHBondContact CA-O 3.35Å; D380-Q384 HydrophobicContact CB-CB 4.2Å; D380-Q384 PolarHBondContact N-O 3.49Å; D380-T386 WeakPolarHBondContact OD2-CB 3.26Å
381	L	89	Confident	88.6	Confident	1 Å²	1	26.3 Å²	26.3	1%	0.005	13%	0.131	C	C	.	.	S	Bend	trans	-63	152.2	-176.1	-58	175.6	0	0	0	113.1	D176 P203 W209 T215 G383 Q384	D176-L381 HydrophobicContact CB-CD2 4.12Å; P203-L381 HydrophobicContact CB-CD2 3.81Å; P203-L381 HydrophobicContact CG-CD2 3.28Å; W209-L381 HydrophobicContact CE3-CB 3.9Å; W209-L381 HydrophobicContact CE3-CD1 4.15Å; W209-L381 HydrophobicContact CE3-CG 4.28Å; W209-L381 HydrophobicContact CH2-CB 4.47Å; W209-L381 HydrophobicContact CZ3-CB 3.62Å; W209-L381 HydrophobicContact CZ3-CG 4.46Å; W209-L381 WeakPolarHBondContact CZ3-O 3.43Å; T215-L381 HydrophobicContact CG2-CD2 4.4Å; T215-L381 WeakPolarHBondContact OG1-CD2 3.04Å; L381-G383 PolarHBondContact O-N 3.4Å; L381-Q384 VanDerWaalsContact O-CB 3.31Å; L381-Q384 WeakPolarHBondContact O-CB 3.2Å; L381-Q384 WeakPolarHBondContact O-CG 3.31Å; L381-Q384 PolarHBondContact O-N 2.69Å
382	Y	88.6	Confident	89.3	Confident	73 Å²	73	23 Å²	23	29%	0.286	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	42	169.7	-39.4	-62.8	0	0	0	113.3	D176 Y205 W209 Q384	D176-Y382 WeakPolarHBondContact OD2-CA 3.36Å; D176-Y382 PolarHBondContact OD2-N 2.92Å; Y205-Y382 WeakPolarHBondContact CA-OH 3.44Å; Y205-Y382 HydrophobicContact CD2-CE1 4.37Å; Y205-Y382 HydrophobicContact CD2-CE2 4.24Å; Y205-Y382 AromaticContact CD2-CZ 3.68Å; Y205-Y382 WeakPolarHBondContact CD2-OH 3.28Å; Y205-Y382 HydrophobicContact CE2-CE2 4.45Å; W209-Y382 AromaticContact CH2-CD2 3.58Å; W209-Y382 HydrophobicContact CH2-CD2 3.58Å; W209-Y382 HydrophobicContact CH2-CE2 4.18Å; W209-Y382 AromaticContact CZ2-CD2 3.97Å; W209-Y382 HydrophobicContact CZ2-CD2 3.97Å; W209-Y382 HydrophobicContact CZ2-CE2 4.29Å; W209-Y382 AromaticContact CZ3-CD2 3.93Å; W209-Y382 HydrophobicContact CZ3-CD2 3.93Å; W209-Y382 HydrophobicContact CZ3-CE2 4.31Å; Y382-Q384 PolarHBondContact O-N 2.83Å; Y382-Q384 PolarHBondContact O-NE2 2.98Å
383	G	86.9	Confident	90.1	Very high	26 Å²	26	17 Å²	17	27%	0.268	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	14.8	-179.9	0	0	0	0	0	114.4	H179 L381	H179-G383 WeakPolarHBondContact CD2-CA 3.44Å; H179-G383 PolarHBondContact CD2-N 3.2Å; H179-G383 VanDerWaalsContact NE2-C 3.3Å; H179-G383 VanDerWaalsContact NE2-CA 3.32Å; H179-G383 WeakPolarHBondContact NE2-CA 3.3Å; L381-G383 PolarHBondContact O-N 3.4Å
384	Q	93.5	Very high	90.9	Very high	89 Å²	89	14.2 Å²	14.2	42%	0.416	8%	0.078	S	C	.	.			trans	-91	168.4	178.7	-60.2	-54.2	-55.6	0	0	111.7	H179 W209 D380 L381 Y382	H179-Q384 PolarHBondContact NE2-O 2.89Å; W209-Q384 HydrophobicContact CH2-CB 4.44Å; W209-Q384 HydrophobicContact CH2-CG 3.92Å; W209-Q384 HydrophobicContact CZ3-CG 4.45Å; D380-Q384 CarbonylContact C-O 3.59Å; D380-Q384 WeakPolarHBondContact CA-O 3.35Å; D380-Q384 HydrophobicContact CB-CB 4.2Å; D380-Q384 PolarHBondContact N-O 3.49Å; L381-Q384 VanDerWaalsContact O-CB 3.31Å; L381-Q384 WeakPolarHBondContact O-CB 3.2Å; L381-Q384 WeakPolarHBondContact O-CG 3.31Å; L381-Q384 PolarHBondContact O-N 2.69Å; Y382-Q384 PolarHBondContact O-N 2.83Å; Y382-Q384 PolarHBondContact O-NE2 2.98Å
385	C	94.1	Very high	91.5	Very high	45 Å²	45	14 Å²	14	30%	0.304	8%	0.076	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	155	175.1	-37.3	0	0	0	0	109.2	L130 C230 T378	L130-C385 HydrophobicContact CD1-CB 3.4Å; C230-C385 WeakPolarHBondContact CA-SG 3.31Å; C230-C385 HydrophobicContact CB-CB 3.73Å; C230-C385 WeakPolarHBondContact CB-SG 3.32Å; C230-C385 WeakPolarHBondContact SG-CB 3.46Å; C230-C385 CovalentContact SG-SG 2.02Å; C230-C385 PolarHBondContact SG-SG 2.92Å; T378-C385 WeakPolarHBondContact O-CA 3.46Å
386	T	91.8	Very high	91.8	Very high	4 Å²	4	14 Å²	14	3%	0.025	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	149.2	172.3	-171.6	0	0	0	0	110.8	R216 T377 T378 D380 S388 H389	R216-T386 HydrophobicContact CG-CG2 3.89Å; T377-T386 CarbonylContact C-O 3.5Å; T377-T386 VanDerWaalsContact CA-O 3.24Å; T377-T386 WeakPolarHBondContact CA-O 3.39Å; T378-T386 HydrophobicContact CG2-CG2 3.7Å; T378-T386 PolarHBondContact N-O 3.03Å; T378-T386 PolarHBondContact O-N 2.84Å; D380-T386 WeakPolarHBondContact OD2-CB 3.26Å; T386-S388 PolarHBondContact OG1-N 2.96Å; T386-S388 PolarHBondContact OG1-OG 2.91Å; T386-H389 HydrophobicContact CG2-CB 4.17Å
387	K	91	Very high	92	Very high	33 Å²	33	14 Å²	14	14%	0.143	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	8.2	170.7	-59.7	-172.2	-64.1	163.5	0	111.8	Y133 R372 E373 G375 V376 T377	Y133-K387 HydrophobicContact CD1-CD 3.84Å; Y133-K387 HydrophobicContact CD2-CD 4.38Å; Y133-K387 HydrophobicContact CE1-CD 4.13Å; Y133-K387 HydrophobicContact CG-CD 3.98Å; R372-K387 VanDerWaalsContact O-O 3.13Å; E373-K387 IonicContact OE1-NZ 2.85Å; E373-K387 PolarHBondContact OE1-NZ 2.87Å; E373-K387 IonicContact OE2-NZ 2.81Å; E373-K387 PolarHBondContact OE2-NZ 3.41Å; G375-K387 CarbonylContact C-O 3.52Å; G375-K387 WeakPolarHBondContact CA-O 3.43Å; V376-K387 CarbonylContact O-C 3.58Å; T377-K387 HydrophobicContact CG2-CG 4.25Å
388	S	89.4	Confident	92.1	Very high	15 Å²	15	14 Å²	14	11%	0.105	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	22	-167.3	65	0	0	0	0	113.2	T386	T386-S388 PolarHBondContact OG1-N 2.96Å; T386-S388 PolarHBondContact OG1-OG 2.91Å
389	H	90.4	Very high	92.3	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.005	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	147.9	169.2	-167.1	47.1	0	0	0	109.8	H213 E220 V376 T378 T386	H213-H389 AromaticContact CD2-CE1 3.9Å; H213-H389 AromaticContact NE2-CE1 3.68Å; E220-H389 IonicContact OE1-CD2 3.24Å; E220-H389 PolarHBondContact OE1-CD2 2.93Å; E220-H389 IonicContact OE1-NE2 2.74Å; E220-H389 PolarHBondContact OE1-NE2 2.77Å; V376-H389 HydrophobicContact CB-CB 4.15Å; V376-H389 PolarHBondContact N-O 3.44Å; V376-H389 WeakPolarHBondContact O-CB 3.45Å; V376-H389 PolarHBondContact O-N 3.4Å; T378-H389 HydrophobicContact CG2-CB 4.02Å; T386-H389 HydrophobicContact CG2-CB 4.17Å
390	S	91	Very high	92.5	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.014	8%	0.075	C	C	.	.			trans	-163.3	178.4	-171.1	64.6	0	0	0	0	111.1	G108 K110 S366	G108-S390 CarbonylContact C-O 3.57Å; G108-S390 WeakPolarHBondContact CA-O 3.27Å; K110-S390 WeakPolarHBondContact CD-OG 3.43Å; K110-S390 WeakPolarHBondContact CE-OG 3.46Å; K110-S390 PolarHBondContact NZ-OG 2.89Å; S366-S390 WeakPolarHBondContact OG-CA 3.49Å
391	G	89	Confident	92.7	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.01	8%	0.075	C	C	.	.	S	Bend	trans	89.4	167.7	-175.1	0	0	0	0	0	111.2	Y353 S366 S393 A394	Y353-G391 VanDerWaalsContact CE2-CA 3.49Å; Y353-G391 VanDerWaalsContact CZ-CA 3.48Å; Y353-G391 PolarHBondContact OH-N 2.88Å; Y353-G391 VanDerWaalsContact OH-N 3.08Å; S366-G391 VanDerWaalsContact CB-O 3.32Å; S366-G391 WeakPolarHBondContact CB-O 3.24Å; S366-G391 PolarHBondContact OG-N 3.12Å; S366-G391 PolarHBondContact OG-O 3.42Å; G391-S393 PolarHBondContact O-N 3.49Å; G391-A394 PolarHBondContact O-N 2.93Å
392	T	89.6	Confident	93.2	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-58.6	-16	167.5	50.8	0	0	0	0	112.1	S318 G319 D320 A394 A395 A396	S318-T392 WeakPolarHBondContact OG-CG2 3.18Å; G319-T392 PolarHBondContact N-OG1 3.3Å; G319-T392 VanDerWaalsContact O-CG2 3.3Å; G319-T392 WeakPolarHBondContact O-CG2 3.4Å; D320-T392 WeakPolarHBondContact OD1-CB 3.46Å; D320-T392 WeakPolarHBondContact OD1-CG2 3.15Å; D320-T392 PolarHBondContact OD1-N 3.45Å; D320-T392 PolarHBondContact OD1-OG1 3.02Å; T392-A394 VanDerWaalsContact C-N 3.29Å; T392-A394 PolarHBondContact O-N 3.24Å; T392-A395 WeakPolarHBondContact O-CB 3.5Å; T392-A395 PolarHBondContact O-N 3.05Å; T392-A395 VanDerWaalsContact O-N 3.07Å; T392-A396 PolarHBondContact O-N 3.35Å
393	S	89.2	Confident	93.6	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-57.6	-29.6	168.1	-68.2	0	0	0	0	116.7	R107 H213 S278 G391 P397	R107-S393 WeakPolarHBondContact CA-OG 3.47Å; R107-S393 WeakPolarHBondContact CB-OG 3.38Å; R107-S393 PolarHBondContact O-OG 2.88Å; H213-S393 VanDerWaalsContact CE1-CB 3.41Å; H213-S393 WeakPolarHBondContact CE1-CB 3.35Å; H213-S393 PolarHBondContact CE1-OG 3.21Å; H213-S393 WeakPolarHBondContact NE2-CB 3.27Å; H213-S393 PolarHBondContact NE2-OG 3.15Å; S278-S393 PolarHBondContact O-OG 3.06Å; S278-S393 PolarHBondContact OG-O 3.38Å; G391-S393 PolarHBondContact O-N 3.49Å; S393-P397 WeakPolarHBondContact O-CD 3.09Å; S393-P397 WeakPolarHBondContact O-CG 3.27Å
394	A	93.3	Very high	94.2	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-82	-32.3	173	0	0	0	0	0	110.5	E220 V376 G391 T392 P397 E398	E220-A394 WeakPolarHBondContact OE2-CA 3.39Å; E220-A394 WeakPolarHBondContact OE2-CB 3.4Å; V376-A394 HydrophobicContact CB-CB 4.03Å; V376-A394 HydrophobicContact CG1-CB 4.24Å; V376-A394 HydrophobicContact CG2-CB 3.72Å; G391-A394 PolarHBondContact O-N 2.93Å; T392-A394 VanDerWaalsContact C-N 3.29Å; T392-A394 PolarHBondContact O-N 3.24Å; A394-P397 VanDerWaalsContact O-CD 3.29Å; A394-P397 WeakPolarHBondContact O-CD 2.89Å; A394-P397 VanDerWaalsContact O-CG 3.3Å; A394-P397 WeakPolarHBondContact O-CG 3.48Å; A394-E398 WeakPolarHBondContact O-CG 3.3Å; A394-E398 PolarHBondContact O-N 2.87Å
395	A	96.3	Very high	94.4	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-68.4	-44.5	-176.8	0	0	0	0	0	112.8	I341 N342 T364 T392 E398 A399	I341-A395 HydrophobicContact CG2-CB 3.95Å; N342-A395 WeakPolarHBondContact O-CB 3.29Å; T364-A395 WeakPolarHBondContact OG1-CA 3.38Å; T364-A395 WeakPolarHBondContact OG1-CB 2.93Å; T364-A395 PolarHBondContact OG1-O 3.28Å; T392-A395 WeakPolarHBondContact O-CB 3.5Å; T392-A395 PolarHBondContact O-N 3.05Å; T392-A395 VanDerWaalsContact O-N 3.07Å; A395-E398 WeakPolarHBondContact O-CB 3.13Å; A395-E398 PolarHBondContact O-N 2.89Å; A395-A399 PolarHBondContact O-N 3.3Å
396	A	96.5	Very high	94.6	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-58.8	-50.3	178.5	0	0	0	0	0	114.7	V315 A317 T392 A399 A400	V315-A396 HydrophobicContact CG1-CB 4.24Å; V315-A396 WeakPolarHBondContact CG1-O 3.1Å; A317-A396 HydrophobicContact CB-CB 4.15Å; T392-A396 PolarHBondContact O-N 3.35Å; A396-A399 WeakPolarHBondContact O-CB 3.2Å; A396-A399 PolarHBondContact O-N 3.48Å; A396-A400 PolarHBondContact O-N 2.82Å
397	P	96.3	Very high	94.9	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-67	-34.6	176.7	25.3	-33.9	0	0	0	112.7	C217 E220 V221 S393 A394 A399 A400 G401	C217-P397 HydrophobicContact CB-CB 4.08Å; C217-P397 HydrophobicContact CB-CG 4.01Å; C217-P397 WeakPolarHBondContact O-CB 3.26Å; E220-P397 HydrophobicContact CB-CB 4.2Å; E220-P397 HydrophobicContact CB-CG 4.33Å; V221-P397 HydrophobicContact CG2-CB 3.77Å; V221-P397 WeakPolarHBondContact CG2-O 3.13Å; S393-P397 WeakPolarHBondContact O-CD 3.09Å; S393-P397 WeakPolarHBondContact O-CG 3.27Å; A394-P397 VanDerWaalsContact O-CD 3.29Å; A394-P397 WeakPolarHBondContact O-CD 2.89Å; A394-P397 VanDerWaalsContact O-CG 3.3Å; A394-P397 WeakPolarHBondContact O-CG 3.48Å; P397-A399 VanDerWaalsContact C-N 3.29Å; P397-A399 PolarHBondContact O-N 2.92Å; P397-A400 PolarHBondContact O-N 3.36Å; P397-G401 PolarHBondContact O-N 2.93Å
398	E	97.6	Very high	95.1	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-55.7	-46.9	170.2	-77.4	179.8	-166.6	0	0	111.1	Y136 L151 T364 F365 A394 A395 G401 V402	Y136-E398 HydrophobicContact CD2-CG 4.02Å; Y136-E398 WeakPolarHBondContact CD2-OE1 3.24Å; Y136-E398 HydrophobicContact CE2-CG 4.15Å; L151-E398 HydrophobicContact CD1-CB 3.98Å; L151-E398 HydrophobicContact CD1-CG 4.18Å; T364-E398 WeakPolarHBondContact CB-OE2 3.41Å; T364-E398 HydrophobicContact CG2-CB 4.27Å; F365-E398 WeakPolarHBondContact CB-OE2 3.13Å; F365-E398 PolarHBondContact N-OE2 3.15Å; A394-E398 WeakPolarHBondContact O-CG 3.3Å; A394-E398 PolarHBondContact O-N 2.87Å; A395-E398 WeakPolarHBondContact O-CB 3.13Å; A395-E398 PolarHBondContact O-N 2.89Å; E398-G401 PolarHBondContact O-N 3.46Å; E398-V402 WeakPolarHBondContact O-CG2 3.36Å; E398-V402 PolarHBondContact O-N 3.02Å
399	A	98.4	Very high	95.4	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-65	-41.8	176.3	0	0	0	0	0	112.8	V315 I341 T364 A395 A396 P397 G401 V402 F403 L481	V315-A399 HydrophobicContact CG1-CB 4.13Å; I341-A399 HydrophobicContact CB-CB 4.36Å; I341-A399 HydrophobicContact CD1-CB 3.8Å; I341-A399 HydrophobicContact CG1-CB 3.61Å; I341-A399 HydrophobicContact CG2-CB 4.02Å; T364-A399 HydrophobicContact CG2-CB 3.89Å; A395-A399 PolarHBondContact O-N 3.3Å; A396-A399 WeakPolarHBondContact O-CB 3.2Å; A396-A399 PolarHBondContact O-N 3.48Å; P397-A399 VanDerWaalsContact C-N 3.29Å; P397-A399 PolarHBondContact O-N 2.92Å; A399-G401 PolarHBondContact O-N 2.85Å; A399-V402 PolarHBondContact O-N 3.09Å; A399-V402 VanDerWaalsContact O-N 3.1Å; A399-F403 HydrophobicContact CB-CE2 4.09Å; A399-F403 HydrophobicContact CB-CZ 4.36Å; A399-F403 VanDerWaalsContact O-CD2 3.23Å; A399-F403 WeakPolarHBondContact O-CD2 3.38Å; A399-F403 VanDerWaalsContact O-CG 3.23Å; A399-F403 WeakPolarHBondContact O-CG 3.26Å; A399-F403 PolarHBondContact O-N 2.82Å; A399-L481 HydrophobicContact CB-CD1 3.47Å; A399-L481 VanDerWaalsContact CB-CD1 3.47Å
400	A	97.8	Very high	95.6	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-58.6	-38	174.2	0	0	0	0	0	111.7	T168 V221 I274 V315 A396 P397 F403 A404	T168-A400 HydrophobicContact CG2-CB 4.06Å; V221-A400 HydrophobicContact CG2-CB 4.39Å; I274-A400 WeakPolarHBondContact CD1-O 3.46Å; I274-A400 HydrophobicContact CG2-CB 3.95Å; V315-A400 HydrophobicContact CG2-CB 4.25Å; A396-A400 PolarHBondContact O-N 2.82Å; P397-A400 PolarHBondContact O-N 3.36Å; A400-F403 PolarHBondContact O-N 3.27Å; A400-A404 PolarHBondContact O-N 3.19Å
401	G	97.6	Very high	95.8	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-62	-47.3	171.6	0	0	0	0	0	112.6	P397 E398 A399 F403 A404 L405	P397-G401 PolarHBondContact O-N 2.93Å; E398-G401 PolarHBondContact O-N 3.46Å; A399-G401 PolarHBondContact O-N 2.85Å; G401-F403 VanDerWaalsContact C-N 3.32Å; G401-F403 PolarHBondContact O-N 3Å; G401-A404 WeakPolarHBondContact O-CB 3.41Å; G401-A404 PolarHBondContact O-N 2.84Å; G401-A404 VanDerWaalsContact O-N 3.11Å; G401-L405 WeakPolarHBondContact O-CG 3.43Å; G401-L405 PolarHBondContact O-N 2.78Å; G401-L405 VanDerWaalsContact O-N 3.1Å
402	V	98.5	Very high	96.2	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-61	-42.2	177.3	175.1	0	0	0	0	111.3	L151 V234 E398 A399 A404 L405 A406 L481 A483 M486	L151-V402 HydrophobicContact CD1-CG2 4.42Å; L151-V402 HydrophobicContact CD2-CG2 4.47Å; V234-V402 HydrophobicContact CG1-CG2 3.98Å; E398-V402 WeakPolarHBondContact O-CG2 3.36Å; E398-V402 PolarHBondContact O-N 3.02Å; A399-V402 PolarHBondContact O-N 3.09Å; A399-V402 VanDerWaalsContact O-N 3.1Å; V402-A404 VanDerWaalsContact C-N 3.3Å; V402-A404 PolarHBondContact O-N 3Å; V402-L405 WeakPolarHBondContact O-CB 3.5Å; V402-L405 PolarHBondContact O-N 2.78Å; V402-L405 VanDerWaalsContact O-N 3.17Å; V402-A406 PolarHBondContact O-N 2.88Å; V402-L481 HydrophobicContact CB-CD1 4.21Å; V402-L481 HydrophobicContact CG1-CB 4.41Å; V402-L481 HydrophobicContact CG1-CD1 4.37Å; V402-L481 HydrophobicContact CG2-CD1 4.49Å; V402-A483 HydrophobicContact CG1-CB 4.06Å; V402-A483 HydrophobicContact CG2-CB 4.12Å; V402-M486 HydrophobicContact CG1-CE 4.27Å; V402-M486 HydrophobicContact CG1-SD 3.79Å
403	F	98.6	Very high	96.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-63.4	-35.5	174.9	-63.2	-28.2	0	0	0	112.5	I274 I313 V315 I339 I341 A399 A400 G401 L405 A406 L407 L418 T422 L481 M486	I274-F403 HydrophobicContact CD1-CB 3.78Å; I313-F403 HydrophobicContact CG2-CD2 4.21Å; V315-F403 HydrophobicContact CG1-CE2 4.27Å; V315-F403 HydrophobicContact CG2-CD2 3.56Å; V315-F403 HydrophobicContact CG2-CE2 3.66Å; I339-F403 HydrophobicContact CB-CE2 4.42Å; I339-F403 HydrophobicContact CD1-CE2 3.92Å; I339-F403 HydrophobicContact CD1-CZ 3.98Å; I339-F403 HydrophobicContact CG2-CE2 4.14Å; I339-F403 HydrophobicContact CG2-CZ 3.96Å; I341-F403 HydrophobicContact CD1-CZ 4.44Å; A399-F403 HydrophobicContact CB-CE2 4.09Å; A399-F403 HydrophobicContact CB-CZ 4.36Å; A399-F403 VanDerWaalsContact O-CD2 3.23Å; A399-F403 WeakPolarHBondContact O-CD2 3.38Å; A399-F403 VanDerWaalsContact O-CG 3.23Å; A399-F403 WeakPolarHBondContact O-CG 3.26Å; A399-F403 PolarHBondContact O-N 2.82Å; A400-F403 PolarHBondContact O-N 3.27Å; G401-F403 VanDerWaalsContact C-N 3.32Å; G401-F403 PolarHBondContact O-N 3Å; F403-L405 VanDerWaalsContact C-N 3.34Å; F403-L405 PolarHBondContact O-N 2.74Å; F403-A406 PolarHBondContact O-N 2.79Å; F403-L407 WeakPolarHBondContact O-CB 3.49Å; F403-L407 WeakPolarHBondContact O-CG 3.47Å; F403-L407 PolarHBondContact O-N 2.68Å; F403-L418 HydrophobicContact CB-CD1 3.79Å; F403-L418 HydrophobicContact CD1-CD1 4.16Å; F403-L418 HydrophobicContact CD1-CD2 4.43Å; F403-L418 HydrophobicContact CG-CD1 3.97Å; F403-T422 WeakPolarHBondContact CE1-OG1 3.49Å; F403-L481 HydrophobicContact CE1-CD1 4.16Å; F403-L481 HydrophobicContact CE1-CD2 4.41Å; F403-L481 HydrophobicContact CZ-CD1 4.14Å; F403-M486 HydrophobicContact CD1-CE 4.32Å; F403-M486 HydrophobicContact CD1-SD 3.78Å; F403-M486 HydrophobicContact CE1-CE 3.96Å; F403-M486 HydrophobicContact CE1-SD 4.04Å
404	A	97.9	Very high	97	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-63.8	-39.6	173.5	0	0	0	0	0	112.2	V166 A235 I274 A400 G401 V402 A406 L407 E408	V166-A404 HydrophobicContact CB-CB 4.06Å; V166-A404 HydrophobicContact CG1-CB 3.71Å; V166-A404 HydrophobicContact CG2-CB 4.38Å; V166-A404 WeakPolarHBondContact CG2-O 3.27Å; A235-A404 HydrophobicContact CB-CB 3.79Å; I274-A404 HydrophobicContact CD1-CB 4.02Å; A400-A404 PolarHBondContact O-N 3.19Å; G401-A404 WeakPolarHBondContact O-CB 3.41Å; G401-A404 PolarHBondContact O-N 2.84Å; G401-A404 VanDerWaalsContact O-N 3.11Å; V402-A404 VanDerWaalsContact C-N 3.3Å; V402-A404 PolarHBondContact O-N 3Å; A404-A406 VanDerWaalsContact C-N 3.35Å; A404-A406 PolarHBondContact O-N 2.89Å; A404-L407 PolarHBondContact O-N 3.37Å; A404-E408 PolarHBondContact O-N 3.45Å
405	L	97.8	Very high	97.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-60.4	-45.1	172.7	-58.4	176.6	0	0	0	111.3	A156 V234 A235 G401 V402 F403 L407 E408 A409 A483 V487	A156-L405 HydrophobicContact CB-CD1 4.06Å; V234-L405 HydrophobicContact CG1-CD1 3.92Å; V234-L405 HydrophobicContact CG1-CG 4.48Å; A235-L405 HydrophobicContact CB-CD2 4.34Å; G401-L405 WeakPolarHBondContact O-CG 3.43Å; G401-L405 PolarHBondContact O-N 2.78Å; G401-L405 VanDerWaalsContact O-N 3.1Å; V402-L405 WeakPolarHBondContact O-CB 3.5Å; V402-L405 PolarHBondContact O-N 2.78Å; V402-L405 VanDerWaalsContact O-N 3.17Å; F403-L405 VanDerWaalsContact C-N 3.34Å; F403-L405 PolarHBondContact O-N 2.74Å; L405-L407 PolarHBondContact O-N 3Å; L405-E408 PolarHBondContact O-N 2.71Å; L405-A409 PolarHBondContact O-N 3.07Å; L405-A409 VanDerWaalsContact O-N 3.13Å; L405-A483 HydrophobicContact CD1-CB 4.01Å; L405-V487 HydrophobicContact CB-CG1 3.73Å
406	A	98.3	Very high	97.3	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-63.8	-40	178.6	0	0	0	0	0	112.6	V402 F403 A404 A409 N410 L413 L418 M486 A490	V402-A406 PolarHBondContact O-N 2.88Å; F403-A406 PolarHBondContact O-N 2.79Å; A404-A406 VanDerWaalsContact C-N 3.35Å; A404-A406 PolarHBondContact O-N 2.89Å; A406-A409 WeakPolarHBondContact O-CB 3.43Å; A406-A409 PolarHBondContact O-N 2.99Å; A406-N410 PolarHBondContact O-N 3Å; A406-L413 HydrophobicContact CB-CD1 4.48Å; A406-L413 WeakPolarHBondContact O-CD1 3.16Å; A406-L418 HydrophobicContact CB-CD2 3.87Å; A406-M486 HydrophobicContact CB-CG 3.76Å; A406-M486 HydrophobicContact CB-SD 3.83Å; A406-A490 HydrophobicContact CB-CB 4.32Å
407	L	97.9	Very high	97.4	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-65.6	-38.2	175.3	-74.5	-176.6	0	0	0	112.4	V166 D273 I274 R307 I313 F403 A404 L405 A409 N410 R411 L413 L418	V166-L407 HydrophobicContact CG1-CB 4.46Å; V166-L407 HydrophobicContact CG1-CD1 3.89Å; V166-L407 HydrophobicContact CG2-CB 3.86Å; D273-L407 HydrophobicContact CB-CD1 3.76Å; I274-L407 HydrophobicContact CD1-CD1 3.92Å; I274-L407 HydrophobicContact CG1-CD1 3.93Å; R307-L407 VanDerWaalsContact NH2-CD2 3.32Å; I313-L407 HydrophobicContact CD1-CD1 3.69Å; I313-L407 HydrophobicContact CD1-CD2 4.09Å; I313-L407 HydrophobicContact CD1-CG 4.22Å; F403-L407 WeakPolarHBondContact O-CB 3.49Å; F403-L407 WeakPolarHBondContact O-CG 3.47Å; F403-L407 PolarHBondContact O-N 2.68Å; A404-L407 PolarHBondContact O-N 3.37Å; L405-L407 PolarHBondContact O-N 3Å; L407-A409 VanDerWaalsContact C-N 3.27Å; L407-A409 PolarHBondContact O-N 2.81Å; L407-N410 CarbonylContact O-C 3.06Å; L407-N410 PolarHBondContact O-N 2.71Å; L407-R411 WeakPolarHBondContact O-CA 3.24Å; L407-R411 WeakPolarHBondContact O-CD 3.3Å; L407-R411 WeakPolarHBondContact O-CG 3.49Å; L407-R411 PolarHBondContact O-N 3.05Å; L407-R411 VanDerWaalsContact O-N 3.12Å; L407-L413 HydrophobicContact CD2-CB 4.01Å; L407-L413 HydrophobicContact CD2-CD1 4.43Å; L407-L418 HydrophobicContact CD2-CD1 4.32Å; L407-L418 HydrophobicContact CG-CD1 4.35Å
408	E	95.9	Very high	97.5	Very high	48 Å²	48	17.2 Å²	17.2	22%	0.224	9%	0.085	C	C	.	.	H	α-helix	trans	-61.6	-39.3	172.5	-176	179.3	-172.9	0	0	111.3	Y161 T162 G163 K164 V166 A404 L405 N410	Y161-E408 HydrophobicContact CD1-CB 4.41Å; Y161-E408 HydrophobicContact CD1-CG 4.16Å; T162-E408 PolarHBondContact N-OE2 3.26Å; G163-E408 WeakPolarHBondContact CA-OE2 3.28Å; G163-E408 PolarHBondContact N-OE2 3.35Å; K164-E408 HydrophobicContact CB-CG 4.5Å; K164-E408 VanDerWaalsContact CB-OE1 3.24Å; K164-E408 WeakPolarHBondContact CB-OE1 3.42Å; K164-E408 VanDerWaalsContact N-CD 3.33Å; K164-E408 PolarHBondContact N-OE2 2.87Å; V166-E408 HydrophobicContact CG2-CB 4.49Å; A404-E408 PolarHBondContact O-N 3.45Å; L405-E408 PolarHBondContact O-N 2.71Å; E408-N410 VanDerWaalsContact C-N 3.3Å; E408-N410 PolarHBondContact O-N 3.49Å
409	A	94.6	Very high	97.5	Very high	19 Å²	19	17.3 Å²	17.3	16%	0.157	9%	0.086	C	C	.	.	H	α-helix	trans	-63.5	-35	175.9	0	0	0	0	0	113	Y161 L405 A406 L407 V487 A490	Y161-A409 HydrophobicContact CD1-CB 3.85Å; Y161-A409 HydrophobicContact CE1-CB 3.5Å; Y161-A409 HydrophobicContact CE2-CB 4.24Å; Y161-A409 HydrophobicContact CG-CB 4.38Å; L405-A409 PolarHBondContact O-N 3.07Å; L405-A409 VanDerWaalsContact O-N 3.13Å; A406-A409 WeakPolarHBondContact O-CB 3.43Å; A406-A409 PolarHBondContact O-N 2.99Å; L407-A409 VanDerWaalsContact C-N 3.27Å; L407-A409 PolarHBondContact O-N 2.81Å; A409-V487 HydrophobicContact CB-CB 4.11Å; A409-V487 HydrophobicContact CB-CG1 4.44Å; A409-A490 HydrophobicContact CB-CB 4.11Å
410	N	96.1	Very high	97.5	Very high	30 Å²	30	17.3 Å²	17.3	16%	0.16	9%	0.086	C	C	.	.			trans	-151.4	102.3	175.9	-176.4	-6.2	0	0	0	111.6	A406 L407 E408 N412 L413 A490	A406-N410 PolarHBondContact O-N 3Å; L407-N410 CarbonylContact O-C 3.06Å; L407-N410 PolarHBondContact O-N 2.71Å; E408-N410 VanDerWaalsContact C-N 3.3Å; E408-N410 PolarHBondContact O-N 3.49Å; N410-N412 PolarHBondContact O-N 2.88Å; N410-N412 WeakPolarHBondContact OD1-CB 3.24Å; N410-N412 PolarHBondContact OD1-N 3.31Å; N410-L413 HydrophobicContact CB-CD1 4.07Å; N410-L413 HydrophobicContact CB-CD2 4.41Å; N410-L413 HydrophobicContact CB-CG 3.86Å; N410-L413 WeakPolarHBondContact O-CD1 3.49Å; N410-L413 VanDerWaalsContact O-CG 3.22Å; N410-L413 WeakPolarHBondContact O-CG 3.36Å; N410-L413 PolarHBondContact O-N 2.87Å; N410-A490 VanDerWaalsContact CB-O 3.29Å; N410-A490 WeakPolarHBondContact CB-O 3.27Å; N410-A490 PolarHBondContact ND2-O 2.87Å
411	R	95.7	Very high	97.5	Very high	84 Å²	84	17.3 Å²	17.3	32%	0.317	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-13.6	-178.6	-67.1	-64.3	-65.1	171.7	2.7	114.1	N165 D273 R307 L310 L407 L413	N165-R411 PolarHBondContact O-NH1 2.91Å; N165-R411 PolarHBondContact O-NH2 2.9Å; D273-R411 VanDerWaalsContact CG-NH2 3.26Å; D273-R411 IonicContact OD1-CZ 3.39Å; D273-R411 IonicContact OD1-NH1 2.78Å; D273-R411 PolarHBondContact OD1-NH1 3.4Å; D273-R411 IonicContact OD1-NH2 3.74Å; D273-R411 PolarHBondContact OD1-NH2 3.39Å; D273-R411 IonicContact OD2-CZ 2.69Å; D273-R411 IonicContact OD2-NH1 3.24Å; D273-R411 PolarHBondContact OD2-NH1 3.23Å; D273-R411 IonicContact OD2-NH2 3.62Å; D273-R411 PolarHBondContact OD2-NH2 2.78Å; R307-R411 PolarHBondContact NH2-O 3.11Å; L310-R411 VanDerWaalsContact CD1-O 3.25Å; L310-R411 WeakPolarHBondContact CD1-O 3.39Å; L407-R411 WeakPolarHBondContact O-CA 3.24Å; L407-R411 WeakPolarHBondContact O-CD 3.3Å; L407-R411 WeakPolarHBondContact O-CG 3.49Å; L407-R411 PolarHBondContact O-N 3.05Å; L407-R411 VanDerWaalsContact O-N 3.12Å; R411-L413 VanDerWaalsContact C-N 3.33Å
412	N	96.4	Very high	97.5	Very high	120 Å²	120	17.3 Å²	17.3	64%	0.642	9%	0.086	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	1.6	178.8	-63.3	-28.8	0	0	0	113.2	L310 N410 T414	L310-N412 WeakPolarHBondContact CD2-O 3.33Å; N410-N412 PolarHBondContact O-N 2.88Å; N410-N412 WeakPolarHBondContact OD1-CB 3.24Å; N410-N412 PolarHBondContact OD1-N 3.31Å; N412-T414 PolarHBondContact O-N 2.67Å
413	L	97.9	Very high	97.5	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	9%	0.086	C	C	.	.			trans	-62.5	129	174.9	-67.6	171.3	0	0	0	110.5	R307 A406 L407 N410 R411 D417 L418 L421 A490 W493	R307-L413 PolarHBondContact NH1-O 3.49Å; R307-L413 PolarHBondContact NH2-O 3.05Å; A406-L413 HydrophobicContact CB-CD1 4.48Å; A406-L413 WeakPolarHBondContact O-CD1 3.16Å; L407-L413 HydrophobicContact CD2-CB 4.01Å; L407-L413 HydrophobicContact CD2-CD1 4.43Å; N410-L413 HydrophobicContact CB-CD1 4.07Å; N410-L413 HydrophobicContact CB-CD2 4.41Å; N410-L413 HydrophobicContact CB-CG 3.86Å; N410-L413 WeakPolarHBondContact O-CD1 3.49Å; N410-L413 VanDerWaalsContact O-CG 3.22Å; N410-L413 WeakPolarHBondContact O-CG 3.36Å; N410-L413 PolarHBondContact O-N 2.87Å; R411-L413 VanDerWaalsContact C-N 3.33Å; L413-D417 HydrophobicContact CB-CB 4.29Å; L413-D417 HydrophobicContact CD2-CB 3.82Å; L413-L418 HydrophobicContact CD1-CD2 3.92Å; L413-L421 HydrophobicContact CD1-CD1 3.8Å; L413-L421 HydrophobicContact CD2-CD1 3.75Å; L413-L421 HydrophobicContact CG-CD1 4.42Å; L413-A490 HydrophobicContact CD1-CB 3.92Å; L413-W493 HydrophobicContact CD2-CB 3.76Å; L413-W493 HydrophobicContact CD2-CG 3.67Å
414	T	98	Very high	97.4	Very high	25 Å²	25	17.4 Å²	17.4	15%	0.153	9%	0.086	C	C	.	.			trans	-79.5	166.2	170.2	67.4	0	0	0	0	111.2	L310 N412 R416 D417 L418	L310-T414 HydrophobicContact CD2-CG2 4.1Å; L310-T414 CarbonylContact O-C 3.55Å; L310-T414 WeakPolarHBondContact O-CA 3.29Å; L310-T414 WeakPolarHBondContact O-CB 3.43Å; N412-T414 PolarHBondContact O-N 2.67Å; T414-R416 PolarHBondContact O-N 3.38Å; T414-D417 WeakPolarHBondContact CB-OD2 3.34Å; T414-D417 WeakPolarHBondContact CG2-OD2 3.33Å; T414-D417 PolarHBondContact N-OD2 3.34Å; T414-D417 WeakPolarHBondContact O-CB 2.93Å; T414-D417 PolarHBondContact O-N 3.2Å; T414-D417 VanDerWaalsContact O-N 3.15Å; T414-D417 PolarHBondContact OG1-N 2.84Å; T414-D417 VanDerWaalsContact OG1-N 3.14Å; T414-D417 PolarHBondContact OG1-OD2 3.08Å; T414-L418 PolarHBondContact O-N 3.42Å
415	W	97.7	Very high	97.3	Very high	17 Å²	17	17.7 Å²	17.7	6%	0.064	9%	0.088	C	C	.	.	H	α-helix	trans	-57.5	-36.4	173.5	70.9	-86	0	0	0	112.7	V303 L310 N312 I313 M336 L418 Q419	V303-W415 HydrophobicContact CB-CD2 4.15Å; V303-W415 HydrophobicContact CB-CG 4.23Å; V303-W415 HydrophobicContact CB-CZ2 4.4Å; V303-W415 HydrophobicContact CG1-CD2 4.31Å; V303-W415 HydrophobicContact CG1-CG 4.47Å; V303-W415 PolarHBondContact O-NE1 2.77Å; L310-W415 PolarHBondContact O-N 2.73Å; L310-W415 VanDerWaalsContact O-N 3.08Å; N312-W415 WeakPolarHBondContact O-CB 3.34Å; I313-W415 HydrophobicContact CG1-CB 4.23Å; M336-W415 WeakPolarHBondContact O-CZ3 3.42Å; W415-L418 PolarHBondContact O-N 3.42Å; W415-Q419 PolarHBondContact O-N 3.03Å
416	R	97.5	Very high	97.3	Very high	17 Å²	17	17.9 Å²	17.9	6%	0.064	9%	0.089	C	C	.	.	H	α-helix	trans	-66.1	-43.9	174.6	-83.5	163.4	52.4	87	3.1	111.5	T414 L418 Q419 H420 V496 P497 E539	T414-R416 PolarHBondContact O-N 3.38Å; R416-L418 PolarHBondContact O-N 2.77Å; R416-Q419 WeakPolarHBondContact O-CA 3.39Å; R416-Q419 WeakPolarHBondContact O-CB 3.42Å; R416-Q419 PolarHBondContact O-N 3.43Å; R416-H420 PolarHBondContact O-CD2 2.91Å; R416-H420 VanDerWaalsContact O-CD2 3.24Å; R416-H420 PolarHBondContact O-N 2.71Å; R416-V496 HydrophobicContact CB-CG2 4.09Å; R416-P497 PolarHBondContact NH2-O 3.22Å; R416-E539 IonicContact CZ-OE1 3.57Å; R416-E539 IonicContact CZ-OE2 3.97Å; R416-E539 IonicContact NH1-OE1 3.61Å; R416-E539 PolarHBondContact NH1-OE1 2.64Å; R416-E539 IonicContact NH1-OE2 3.56Å; R416-E539 PolarHBondContact NH1-OE2 3.34Å; R416-E539 IonicContact NH2-OE1 2.72Å; R416-E539 PolarHBondContact NH2-OE1 2.7Å; R416-E539 IonicContact NH2-OE2 3.4Å
417	D	98.2	Very high	97.1	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-56.6	-40.1	178.9	-67.4	-42.8	0	0	0	111.5	L413 T414 Q419 H420 L421 W493 T495 V496	L413-D417 HydrophobicContact CB-CB 4.29Å; L413-D417 HydrophobicContact CD2-CB 3.82Å; T414-D417 WeakPolarHBondContact CB-OD2 3.34Å; T414-D417 WeakPolarHBondContact CG2-OD2 3.33Å; T414-D417 PolarHBondContact N-OD2 3.34Å; T414-D417 WeakPolarHBondContact O-CB 2.93Å; T414-D417 PolarHBondContact O-N 3.2Å; T414-D417 VanDerWaalsContact O-N 3.15Å; T414-D417 PolarHBondContact OG1-N 2.84Å; T414-D417 VanDerWaalsContact OG1-N 3.14Å; T414-D417 PolarHBondContact OG1-OD2 3.08Å; D417-Q419 PolarHBondContact O-N 3.03Å; D417-H420 PolarHBondContact O-N 3.23Å; D417-L421 WeakPolarHBondContact O-CB 3.4Å; D417-L421 WeakPolarHBondContact O-CG 3.46Å; D417-L421 PolarHBondContact O-N 2.89Å; D417-W493 VanDerWaalsContact CB-NE1 3.32Å; D417-W493 PolarHBondContact OD1-NE1 2.66Å; D417-T495 VanDerWaalsContact OD1-CA 3.28Å; D417-T495 WeakPolarHBondContact OD1-CA 3.46Å; D417-T495 PolarHBondContact OD1-OG1 2.92Å; D417-T495 WeakPolarHBondContact OD2-CB 3.39Å; D417-T495 PolarHBondContact OD2-OG1 3.04Å; D417-V496 PolarHBondContact OD1-N 3.39Å
418	L	98.2	Very high	96.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-66.3	-34	174.6	-79.4	-166.1	0	0	0	113.9	I313 I339 F403 A406 L407 L413 T414 W415 R416 L421 T422	I313-L418 HydrophobicContact CD1-CD1 3.3Å; I313-L418 HydrophobicContact CD1-CG 4.34Å; I313-L418 HydrophobicContact CG1-CD1 3.74Å; I313-L418 HydrophobicContact CG2-CD1 4.13Å; I339-L418 HydrophobicContact CD1-CB 4.44Å; F403-L418 HydrophobicContact CB-CD1 3.79Å; F403-L418 HydrophobicContact CD1-CD1 4.16Å; F403-L418 HydrophobicContact CD1-CD2 4.43Å; F403-L418 HydrophobicContact CG-CD1 3.97Å; A406-L418 HydrophobicContact CB-CD2 3.87Å; L407-L418 HydrophobicContact CD2-CD1 4.32Å; L407-L418 HydrophobicContact CG-CD1 4.35Å; L413-L418 HydrophobicContact CD1-CD2 3.92Å; T414-L418 PolarHBondContact O-N 3.42Å; W415-L418 PolarHBondContact O-N 3.42Å; R416-L418 PolarHBondContact O-N 2.77Å; L418-L421 HydrophobicContact CD2-CD1 3.9Å; L418-L421 PolarHBondContact O-N 3.42Å; L418-T422 WeakPolarHBondContact O-CB 3.14Å; L418-T422 PolarHBondContact O-N 3.08Å; L418-T422 PolarHBondContact O-OG1 3.08Å
419	Q	98.4	Very high	96.2	Very high	1 Å²	1	27 Å²	27	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-64.4	-45.6	171.7	-69.8	-179.6	-13.3	0	0	111	M336 T338 I339 L361 W415 R416 D417 L421 T422 V423 H540 W594	M336-Q419 PolarHBondContact O-NE2 3.45Å; T338-Q419 PolarHBondContact O-NE2 3.41Å; I339-Q419 HydrophobicContact CD1-CG 3.81Å; I339-Q419 HydrophobicContact CG1-CG 3.77Å; L361-Q419 HydrophobicContact CD2-CB 3.8Å; L361-Q419 HydrophobicContact CD2-CG 3.95Å; W415-Q419 PolarHBondContact O-N 3.03Å; R416-Q419 WeakPolarHBondContact O-CA 3.39Å; R416-Q419 WeakPolarHBondContact O-CB 3.42Å; R416-Q419 PolarHBondContact O-N 3.43Å; D417-Q419 PolarHBondContact O-N 3.03Å; Q419-L421 PolarHBondContact O-N 2.84Å; Q419-T422 WeakPolarHBondContact O-CB 3.38Å; Q419-T422 PolarHBondContact O-N 2.95Å; Q419-V423 WeakPolarHBondContact O-CG2 3.34Å; Q419-V423 PolarHBondContact O-N 3.01Å; Q419-H540 PolarHBondContact OE1-CE1 3.21Å; Q419-H540 PolarHBondContact OE1-NE2 3.42Å; Q419-W594 HydrophobicContact CB-CH2 3.75Å; Q419-W594 HydrophobicContact CB-CZ2 4.33Å
420	H	98.2	Very high	95.9	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-62	-43.1	175.6	-76.5	-89.1	0	0	0	112.4	R416 D417 T422 V423 L424 W493 V496 E539 W594 Y633	R416-H420 PolarHBondContact O-CD2 2.91Å; R416-H420 VanDerWaalsContact O-CD2 3.24Å; R416-H420 PolarHBondContact O-N 2.71Å; D417-H420 PolarHBondContact O-N 3.23Å; H420-T422 VanDerWaalsContact C-N 3.33Å; H420-V423 PolarHBondContact O-N 3.03Å; H420-L424 WeakPolarHBondContact O-CB 3.44Å; H420-L424 VanDerWaalsContact O-CG 3.27Å; H420-L424 WeakPolarHBondContact O-CG 3.22Å; H420-L424 PolarHBondContact O-N 2.97Å; H420-L424 VanDerWaalsContact O-N 3.07Å; H420-W493 HydrophobicContact CB-CH2 3.73Å; H420-W493 HydrophobicContact CB-CZ2 3.53Å; H420-V496 HydrophobicContact CB-CG1 4.42Å; H420-E539 IonicContact CE1-OE1 2.57Å; H420-E539 IonicContact NE2-OE1 3.58Å; H420-E539 PolarHBondContact NE2-OE1 3.37Å; H420-E539 VanDerWaalsContact NE2-OE1 3.13Å; H420-W594 HydrophobicContact CB-CZ2 4.42Å; H420-W594 AromaticContact CD2-CZ2 3.81Å; H420-W594 AromaticContact CE1-CE2 3.91Å; H420-W594 AromaticContact CE1-CZ2 3.62Å; H420-W594 AromaticContact CE1-NE1 3.74Å; H420-W594 AromaticContact CG-CZ2 3.69Å; H420-W594 AromaticContact ND1-CE2 3.79Å; H420-W594 AromaticContact ND1-CZ2 3.59Å; H420-W594 AromaticContact ND1-NE1 3.4Å; H420-W594 PolarHBondContact ND1-NE1 3.39Å; H420-W594 AromaticContact NE2-CZ2 3.77Å; H420-Y633 HydrophobicContact CB-CE1 4.2Å; H420-Y633 AromaticContact ND1-CE1 3.47Å; H420-Y633 WeakPolarHBondContact ND1-CE1 3.2Å; H420-Y633 AromaticContact ND1-CZ 3.39Å; H420-Y633 PolarHBondContact ND1-OH 3.02Å
421	L	97.9	Very high	95.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.5	-44.2	175.5	-78.5	166.5	0	0	0	110.9	L413 D417 L418 Q419 V423 L424 T425 M486 L489 A490 W493	L413-L421 HydrophobicContact CD1-CD1 3.8Å; L413-L421 HydrophobicContact CD2-CD1 3.75Å; L413-L421 HydrophobicContact CG-CD1 4.42Å; D417-L421 WeakPolarHBondContact O-CB 3.4Å; D417-L421 WeakPolarHBondContact O-CG 3.46Å; D417-L421 PolarHBondContact O-N 2.89Å; L418-L421 HydrophobicContact CD2-CD1 3.9Å; L418-L421 PolarHBondContact O-N 3.42Å; Q419-L421 PolarHBondContact O-N 2.84Å; L421-V423 PolarHBondContact O-N 2.9Å; L421-L424 PolarHBondContact O-N 3.21Å; L421-T425 VanDerWaalsContact O-CB 3.3Å; L421-T425 WeakPolarHBondContact O-CB 3.27Å; L421-T425 VanDerWaalsContact O-CG2 3.27Å; L421-T425 WeakPolarHBondContact O-CG2 3.16Å; L421-T425 PolarHBondContact O-N 3.4Å; L421-T425 PolarHBondContact O-OG1 2.68Å; L421-M486 HydrophobicContact CB-CG 4.26Å; L421-L489 HydrophobicContact CD2-CB 3.84Å; L421-L489 HydrophobicContact CD2-CD2 3.83Å; L421-L489 HydrophobicContact CD2-CG 3.59Å; L421-A490 HydrophobicContact CD1-CB 4.09Å; L421-W493 HydrophobicContact CD1-CD2 4.38Å; L421-W493 HydrophobicContact CD1-CG 4.47Å; L421-W493 HydrophobicContact CD2-CD2 3.92Å; L421-W493 HydrophobicContact CD2-CE3 3.4Å; L421-W493 VanDerWaalsContact CD2-CE3 3.4Å; L421-W493 HydrophobicContact CD2-CH2 4.39Å; L421-W493 HydrophobicContact CD2-CZ3 3.67Å; L421-W493 HydrophobicContact CG-CD2 4Å; L421-W493 HydrophobicContact CG-CE3 3.93Å; L421-W493 HydrophobicContact CG-CH2 4.36Å; L421-W493 HydrophobicContact CG-CZ2 4.47Å; L421-W493 HydrophobicContact CG-CZ3 4.1Å
422	T	98.4	Very high	95.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-53.2	-54.1	174.9	-62.3	0	0	0	0	111	L361 A362 F403 L418 Q419 H420 L424 T425 S426 L481	L361-T422 HydrophobicContact CB-CG2 4.29Å; L361-T422 HydrophobicContact CD2-CG2 3.72Å; L361-T422 HydrophobicContact CG-CG2 3.82Å; A362-T422 HydrophobicContact CB-CG2 3.43Å; A362-T422 VanDerWaalsContact CB-CG2 3.43Å; F403-T422 WeakPolarHBondContact CE1-OG1 3.49Å; L418-T422 WeakPolarHBondContact O-CB 3.14Å; L418-T422 PolarHBondContact O-N 3.08Å; L418-T422 PolarHBondContact O-OG1 3.08Å; Q419-T422 WeakPolarHBondContact O-CB 3.38Å; Q419-T422 PolarHBondContact O-N 2.95Å; H420-T422 VanDerWaalsContact C-N 3.33Å; T422-L424 VanDerWaalsContact C-N 3.33Å; T422-L424 PolarHBondContact O-N 3.29Å; T422-T425 PolarHBondContact O-N 2.95Å; T422-S426 VanDerWaalsContact O-CB 3.28Å; T422-S426 WeakPolarHBondContact O-CB 3.38Å; T422-S426 PolarHBondContact O-N 2.68Å; T422-S426 PolarHBondContact O-OG 2.82Å; T422-L481 HydrophobicContact CG2-CD2 3.66Å
423	V	98.1	Very high	95.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-58.4	-44.1	-179.7	173.3	0	0	0	0	112.5	L361 Q419 H420 L421 L470 F478 W594 K646	L361-V423 HydrophobicContact CD1-CG2 3.51Å; L361-V423 HydrophobicContact CD2-CG2 4.35Å; L361-V423 HydrophobicContact CG-CG2 3.94Å; Q419-V423 WeakPolarHBondContact O-CG2 3.34Å; Q419-V423 PolarHBondContact O-N 3.01Å; H420-V423 PolarHBondContact O-N 3.03Å; L421-V423 PolarHBondContact O-N 2.9Å; V423-L470 HydrophobicContact CG1-CD1 3.8Å; V423-F478 HydrophobicContact CB-CD2 4.18Å; V423-F478 HydrophobicContact CB-CE2 4.49Å; V423-F478 HydrophobicContact CB-CG 4.28Å; V423-F478 HydrophobicContact CG1-CD1 3.76Å; V423-F478 HydrophobicContact CG1-CD2 3.97Å; V423-F478 HydrophobicContact CG1-CE1 3.87Å; V423-F478 HydrophobicContact CG1-CE2 4.06Å; V423-F478 HydrophobicContact CG1-CG 3.81Å; V423-F478 HydrophobicContact CG1-CZ 4.01Å; V423-F478 HydrophobicContact CG2-CD2 3.61Å; V423-F478 HydrophobicContact CG2-CE2 3.74Å; V423-F478 HydrophobicContact CG2-CG 4.21Å; V423-F478 HydrophobicContact CG2-CZ 4.44Å; V423-W594 HydrophobicContact CG1-CB 4.49Å; V423-W594 HydrophobicContact CG1-CG 4.04Å; V423-W594 HydrophobicContact CG2-CD2 3.79Å; V423-W594 HydrophobicContact CG2-CE3 4.08Å; V423-W594 HydrophobicContact CG2-CG 4.16Å; V423-W594 HydrophobicContact CG2-CZ2 4.26Å; V423-W594 HydrophobicContact CG2-CZ3 4.46Å; V423-K646 WeakPolarHBondContact O-CD 3.28Å; V423-K646 PolarHBondContact O-NZ 3.25Å
424	L	96.8	Very high	94.7	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-79.8	-21.9	-173.7	-67.4	177.8	0	0	0	114.3	H420 L421 T422 L489 W493 Y633 N644 K646 L647 V650	H420-L424 WeakPolarHBondContact O-CB 3.44Å; H420-L424 VanDerWaalsContact O-CG 3.27Å; H420-L424 WeakPolarHBondContact O-CG 3.22Å; H420-L424 PolarHBondContact O-N 2.97Å; H420-L424 VanDerWaalsContact O-N 3.07Å; L421-L424 PolarHBondContact O-N 3.21Å; T422-L424 VanDerWaalsContact C-N 3.33Å; T422-L424 PolarHBondContact O-N 3.29Å; L424-L489 HydrophobicContact CB-CD2 4.07Å; L424-L489 HydrophobicContact CD1-CD2 4.25Å; L424-W493 HydrophobicContact CD1-CH2 3.64Å; L424-W493 HydrophobicContact CD1-CZ3 3.77Å; L424-Y633 HydrophobicContact CD1-CD1 4.23Å; L424-Y633 HydrophobicContact CD1-CE1 3.68Å; L424-Y633 HydrophobicContact CD2-CE2 4.43Å; L424-N644 PolarHBondContact O-ND2 2.85Å; L424-N644 PolarHBondContact O-OD1 2.78Å; L424-K646 HydrophobicContact CD2-CB 4.1Å; L424-K646 WeakPolarHBondContact O-CD 3.28Å; L424-L647 HydrophobicContact CD1-CD1 4.07Å; L424-V650 HydrophobicContact CD2-CG2 4.5Å
425	T	96.2	Very high	94	Very high	6 Å²	6	31.7 Å²	31.7	4%	0.037	15%	0.147	C	C	.	.	H	α-helix	trans	-109.4	-19.8	-173.4	61.8	0	0	0	0	112.5	L421 T422 E485 M486 L489	L421-T425 VanDerWaalsContact O-CB 3.3Å; L421-T425 WeakPolarHBondContact O-CB 3.27Å; L421-T425 VanDerWaalsContact O-CG2 3.27Å; L421-T425 WeakPolarHBondContact O-CG2 3.16Å; L421-T425 PolarHBondContact O-N 3.4Å; L421-T425 PolarHBondContact O-OG1 2.68Å; T422-T425 PolarHBondContact O-N 2.95Å; T425-E485 HydrophobicContact CG2-CB 4.25Å; T425-M486 HydrophobicContact CG2-CB 4.32Å; T425-M486 VanDerWaalsContact OG1-CE 3.29Å; T425-M486 WeakPolarHBondContact OG1-CE 3.3Å; T425-L489 HydrophobicContact CG2-CB 4.15Å; T425-L489 HydrophobicContact CG2-CD2 3.71Å
426	S	97	Very high	93.1	Very high	4 Å²	4	34.2 Å²	34.2	3%	0.028	17%	0.166	C	C	.	.			trans	-59	146	172	-78.3	0	0	0	0	112.4	A362 T422 F478 G479 I480 K646	A362-S426 WeakPolarHBondContact CB-OG 3.26Å; T422-S426 VanDerWaalsContact O-CB 3.28Å; T422-S426 WeakPolarHBondContact O-CB 3.38Å; T422-S426 PolarHBondContact O-N 2.68Å; T422-S426 PolarHBondContact O-OG 2.82Å; S426-F478 WeakPolarHBondContact CB-O 3.3Å; S426-G479 WeakPolarHBondContact CB-O 3.39Å; S426-G479 PolarHBondContact OG-O 3.13Å; S426-I480 CarbonylContact C-O 3.51Å; S426-I480 WeakPolarHBondContact CA-O 3.41Å; S426-K646 WeakPolarHBondContact O-CE 3.42Å; S426-K646 PolarHBondContact O-NZ 3.31Å
427	S	93	Very high	92.3	Very high	38 Å²	38	34.3 Å²	34.3	27%	0.266	17%	0.167	S	C	.	.	B	Isolated β-bridge	trans	-124.7	136.8	-178.9	-177.7	0	0	0	0	112.2	N429 G479 I480	S427-N429 VanDerWaalsContact C-N 3.3Å; S427-N429 VanDerWaalsContact OG-CG 3.3Å; S427-N429 PolarHBondContact OG-N 3.49Å; S427-N429 PolarHBondContact OG-ND2 3.25Å; S427-G479 CarbonylContact O-C 3.55Å; S427-G479 VanDerWaalsContact O-CA 3.3Å; S427-G479 WeakPolarHBondContact O-CA 3.38Å; S427-I480 PolarHBondContact N-O 3.04Å; S427-I480 PolarHBondContact O-N 2.74Å
428	R	91.7	Very high	91.2	Very high	102 Å²	102	40.7 Å²	40.7	39%	0.385	20%	0.197	S	C	.	.			trans	-82.2	-5.1	177.1	72.5	155.5	177.1	143.2	-12.1	114.6	Y430 L431 W463 E471	R428-Y430 PolarHBondContact O-N 3.5Å; R428-L431 WeakPolarHBondContact O-CB 3.34Å; R428-L431 PolarHBondContact O-N 3.05Å; R428-W463 HydrophobicContact CB-CD2 3.83Å; R428-W463 HydrophobicContact CB-CE3 3.75Å; R428-W463 HydrophobicContact CB-CH2 3.44Å; R428-W463 VanDerWaalsContact CB-CH2 3.44Å; R428-W463 HydrophobicContact CB-CZ2 3.53Å; R428-W463 HydrophobicContact CB-CZ3 3.54Å; R428-W463 HydrophobicContact CG-CD2 4.49Å; R428-E471 VanDerWaalsContact CD-OE2 3.24Å; R428-E471 WeakPolarHBondContact CD-OE2 3.2Å; R428-E471 WeakPolarHBondContact CG-OE2 3.3Å; R428-E471 IonicContact CZ-OE1 3.08Å; R428-E471 IonicContact CZ-OE2 2.77Å; R428-E471 IonicContact NE-OE1 2.93Å; R428-E471 PolarHBondContact NE-OE1 3.07Å; R428-E471 IonicContact NE-OE2 3.43Å; R428-E471 PolarHBondContact NE-OE2 3.48Å; R428-E471 IonicContact NH2-OE1 3.08Å; R428-E471 PolarHBondContact NH2-OE1 3.36Å
429	N	84.3	Confident	90.1	Very high	98 Å²	98	41.3 Å²	41.3	52%	0.524	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	125	-165.2	-74.3	-21.5	0	0	0	111.9	L149 S427 L431	L149-N429 WeakPolarHBondContact CD1-O 3.45Å; S427-N429 VanDerWaalsContact C-N 3.3Å; S427-N429 VanDerWaalsContact OG-CG 3.3Å; S427-N429 PolarHBondContact OG-N 3.49Å; S427-N429 PolarHBondContact OG-ND2 3.25Å; N429-L431 PolarHBondContact O-N 3.1Å; N429-L431 VanDerWaalsContact O-N 3.12Å
430	Y	88.7	Confident	89.1	Confident	137 Å²	137	43.3 Å²	43.3	54%	0.537	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	3.7	179.1	-46.9	-65.6	0	0	0	116.8	K146 R428 Y432	K146-Y430 HydrophobicContact CD-CD1 4.36Å; K146-Y430 HydrophobicContact CD-CD2 4.46Å; K146-Y430 HydrophobicContact CD-CG 4.3Å; K146-Y430 VanDerWaalsContact CE-CD1 3.41Å; K146-Y430 HydrophobicContact CG-CD1 4.42Å; K146-Y430 HydrophobicContact CG-CD2 3.81Å; K146-Y430 HydrophobicContact CG-CE2 4.29Å; K146-Y430 HydrophobicContact CG-CG 3.87Å; R428-Y430 PolarHBondContact O-N 3.5Å; Y430-Y432 WeakPolarHBondContact O-CD1 3Å
431	L	92.7	Very high	88.2	Confident	8 Å²	8	44.7 Å²	44.7	4%	0.042	22%	0.219	C	C	.	.			trans	-78	130.9	176.8	-64	-178.5	0	0	0	111.6	A344 G348 R428 N429 W463 F476 I480	A344-L431 HydrophobicContact CB-CD2 3.79Å; G348-L431 VanDerWaalsContact O-CA 3.3Å; G348-L431 WeakPolarHBondContact O-CA 3.15Å; R428-L431 WeakPolarHBondContact O-CB 3.34Å; R428-L431 PolarHBondContact O-N 3.05Å; N429-L431 PolarHBondContact O-N 3.1Å; N429-L431 VanDerWaalsContact O-N 3.12Å; L431-W463 HydrophobicContact CB-CZ2 3.68Å; L431-W463 HydrophobicContact CD1-CH2 4.24Å; L431-W463 HydrophobicContact CD1-CZ2 3.91Å; L431-W463 HydrophobicContact CG-CZ2 4.42Å; L431-W463 PolarHBondContact O-NE1 3.4Å; L431-F476 HydrophobicContact CB-CD1 4.41Å; L431-F476 HydrophobicContact CB-CD2 3.99Å; L431-F476 HydrophobicContact CB-CE1 4.46Å; L431-F476 HydrophobicContact CB-CE2 4.04Å; L431-F476 HydrophobicContact CB-CG 4.17Å; L431-F476 HydrophobicContact CB-CZ 4.26Å; L431-F476 HydrophobicContact CD1-CB 3.83Å; L431-F476 HydrophobicContact CD1-CD1 3.91Å; L431-F476 HydrophobicContact CD1-CD2 4.42Å; L431-F476 HydrophobicContact CD1-CG 3.8Å; L431-F476 HydrophobicContact CD2-CD1 4.32Å; L431-F476 HydrophobicContact CD2-CE1 4.24Å; L431-F476 HydrophobicContact CG-CD1 4.44Å; L431-F476 HydrophobicContact CG-CG 4.48Å; L431-I480 HydrophobicContact CD1-CB 4.49Å; L431-I480 HydrophobicContact CD1-CD1 4.1Å; L431-I480 HydrophobicContact CD1-CG1 3.58Å; L431-I480 HydrophobicContact CD2-CD1 4.04Å; L431-I480 HydrophobicContact CD2-CG1 3.73Å; L431-I480 HydrophobicContact CG-CG1 4.03Å
432	Y	92.5	Very high	87.6	Confident	110 Å²	110	45.6 Å²	45.6	43%	0.431	22%	0.224	S	C	.	.	B	Isolated β-bridge	trans	-149.1	149.5	177.8	69.2	-83.9	0	0	0	112.4	G348 E349 N350 Y430 G434 F476	G348-Y432 PolarHBondContact O-N 3.17Å; E349-Y432 WeakPolarHBondContact CA-O 3.49Å; E349-Y432 HydrophobicContact CB-CE1 4.33Å; E349-Y432 HydrophobicContact CB-CE2 4.18Å; E349-Y432 HydrophobicContact CG-CE2 3.94Å; N350-Y432 PolarHBondContact N-O 3.34Å; Y430-Y432 WeakPolarHBondContact O-CD1 3Å; Y432-G434 PolarHBondContact O-N 3.17Å; Y432-F476 WeakPolarHBondContact O-CZ 3.1Å
433	D	89.9	Confident	86.7	Confident	8 Å²	8	52.5 Å²	52.5	4%	0.043	26%	0.261	C	S	.	.			trans	-78.5	108.4	171.1	-176.6	6.6	0	0	0	109.5	N350 R435 R437 H460 F461 L475	N350-D433 WeakPolarHBondContact OD1-CA 3.38Å; N350-D433 PolarHBondContact OD1-OD1 3.03Å; D433-R435 PolarHBondContact O-N 3.42Å; D433-R435 WeakPolarHBondContact OD1-CB 3.46Å; D433-R435 PolarHBondContact OD1-N 2.99Å; D433-R437 IonicContact OD1-NE 3.88Å; D433-R437 VanDerWaalsContact OD2-CD 3.29Å; D433-R437 WeakPolarHBondContact OD2-CD 3.49Å; D433-R437 IonicContact OD2-NE 2.71Å; D433-R437 PolarHBondContact OD2-NE 3.46Å; D433-H460 HydrophobicContact CB-CB 4.25Å; D433-H460 PolarHBondContact O-ND1 3.23Å; D433-F461 HydrophobicContact CB-CB 4.27Å; D433-F461 PolarHBondContact OD2-N 2.93Å; D433-L475 HydrophobicContact CB-CD1 3.91Å
434	G	86.4	Confident	86	Confident	32 Å²	32	53.4 Å²	53.4	33%	0.33	27%	0.266	S	S	.	.			trans	-78.9	-5	176.5	0	0	0	0	0	113.7	N350 Y432	N350-G434 PolarHBondContact OD1-N 2.88Å; Y432-G434 PolarHBondContact O-N 3.17Å
435	R	83	Confident	85	Confident	84 Å²	84	57.5 Å²	57.5	32%	0.317	30%	0.3	S	S	.	.	S	Bend	trans	-108.9	149.1	-166.9	-61.3	-163.9	166.3	-110.9	-21.7	113.6	D433 R437 H460	D433-R435 PolarHBondContact O-N 3.42Å; D433-R435 WeakPolarHBondContact OD1-CB 3.46Å; D433-R435 PolarHBondContact OD1-N 2.99Å; R435-R437 PolarHBondContact O-N 2.92Å; R435-H460 PolarHBondContact O-CE1 2.96Å; R435-H460 VanDerWaalsContact O-CE1 3.29Å; R435-H460 PolarHBondContact O-ND1 3.05Å
436	C	78.7	Confident	83.9	Confident	69 Å²	69	61.5 Å²	61.5	47%	0.466	34%	0.342	S	S	.	.			trans	-83.4	114.1	-177.6	-163.1	0	0	0	0	111.2	C458	C436-C458 WeakPolarHBondContact CA-SG 3.31Å; C436-C458 HydrophobicContact CB-CB 4.38Å; C436-C458 WeakPolarHBondContact CB-SG 3.12Å; C436-C458 WeakPolarHBondContact SG-CA 3.39Å; C436-C458 WeakPolarHBondContact SG-CB 3.12Å; C436-C458 CovalentContact SG-SG 2.03Å; C436-C458 PolarHBondContact SG-SG 2.86Å
437	R	80.5	Confident	83	Confident	19 Å²	19	62.6 Å²	62.6	7%	0.072	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-113.9	147.1	-179.5	-57.2	-170.5	-178	-101.3	-0	111.5	D433 R435 M439 S459 F461	D433-R437 IonicContact OD1-NE 3.88Å; D433-R437 VanDerWaalsContact OD2-CD 3.29Å; D433-R437 WeakPolarHBondContact OD2-CD 3.49Å; D433-R437 IonicContact OD2-NE 2.71Å; D433-R437 PolarHBondContact OD2-NE 3.46Å; R435-R437 PolarHBondContact O-N 2.92Å; R437-M439 HydrophobicContact CB-CG 4.22Å; R437-M439 PolarHBondContact O-N 2.72Å; R437-S459 WeakPolarHBondContact CA-O 3.46Å; R437-S459 WeakPolarHBondContact CB-O 3.37Å; R437-S459 PolarHBondContact N-O 3.41Å; R437-S459 WeakPolarHBondContact O-CA 3.17Å; R437-S459 VanDerWaalsContact O-CB 3.26Å; R437-S459 WeakPolarHBondContact O-CB 3.2Å; R437-S459 PolarHBondContact O-N 2.89Å; R437-F461 VanDerWaalsContact CZ-CE2 3.48Å; R437-F461 VanDerWaalsContact NE-CE2 3.28Å
438	Q	73.9	Confident	81.9	Confident	135 Å²	135	69 Å²	69	63%	0.631	37%	0.371	S	S	*	.			trans	-92.1	74.9	172.4	-67.1	-176.4	3.5	0	0	109.5	Q609	Q438-Q609 PolarHBondContact O-NE2 3.01Å
439	M	75.9	Confident	80.8	Confident	13 Å²	13	66.6 Å²	66.6	6%	0.064	37%	0.369	C	S	.	.			trans	-91.3	151.8	171.1	-62.3	-169.1	-70	0	0	110.6	R437 H460 F461 M568	R437-M439 HydrophobicContact CB-CG 4.22Å; R437-M439 PolarHBondContact O-N 2.72Å; M439-H460 WeakPolarHBondContact CE-O 3.38Å; M439-F461 HydrophobicContact CE-CD1 4.07Å; M439-F461 HydrophobicContact CE-CG 4.49Å; M439-F461 HydrophobicContact CG-CE1 4.41Å; M439-F461 HydrophobicContact SD-CD1 3.31Å; M439-F461 WeakPolarHBondContact SD-CD1 3.32Å; M439-F461 HydrophobicContact SD-CE1 3.31Å; M439-F461 WeakPolarHBondContact SD-CE1 3.33Å; M439-F461 HydrophobicContact SD-CG 4.17Å; M439-F461 HydrophobicContact SD-CZ 4.19Å; M439-M568 HydrophobicContact CG-CE 4.21Å; M439-M568 HydrophobicContact SD-CE 4.3Å
440	V	77.4	Confident	79.9	Confident	43 Å²	43	64.6 Å²	64.6	26%	0.261	36%	0.356	S	S	.	.			trans	-132.9	133.6	-175.4	-167	0	0	0	0	109.7	L442	V440-L442 PolarHBondContact O-N 3.46Å
441	D	80.1	Confident	78.7	Confident	31 Å²	31	60 Å²	60	17%	0.166	34%	0.34	C	S	.	.			trans	-60.1	132.1	170.7	-61.2	-68.5	0	0	0	110.1	D443 S449 H451 K454	D441-D443 VanDerWaalsContact C-N 3.32Å; D441-S449 WeakPolarHBondContact OD1-CB 3.07Å; D441-S449 PolarHBondContact OD1-OG 3.39Å; D441-H451 IonicContact OD1-CD2 3.12Å; D441-H451 PolarHBondContact OD1-CD2 3.48Å; D441-H451 VanDerWaalsContact OD1-CD2 3.24Å; D441-H451 IonicContact OD1-CG 3.2Å; D441-K454 IonicContact OD2-NZ 2.93Å; D441-K454 PolarHBondContact OD2-NZ 3.29Å
442	L	83.8	Confident	76.9	Confident	18 Å²	18	67.4 Å²	67.4	9%	0.094	37%	0.374	C	S	.	.			trans	-80.1	-16.6	179.5	-60.7	177.4	0	0	0	112.7	V440 I444 L518 Y558 A605	V440-L442 PolarHBondContact O-N 3.46Å; L442-I444 HydrophobicContact CB-CD1 3.82Å; L442-I444 HydrophobicContact CB-CG1 3.83Å; L442-I444 HydrophobicContact CD1-CD1 3.97Å; L442-I444 PolarHBondContact O-N 2.92Å; L442-I444 VanDerWaalsContact O-N 3.11Å; L442-L518 HydrophobicContact CB-CD2 4.16Å; L442-L518 HydrophobicContact CD2-CD1 4.11Å; L442-L518 WeakPolarHBondContact O-CD2 3.3Å; L442-Y558 HydrophobicContact CD1-CD1 3.76Å; L442-Y558 HydrophobicContact CD1-CD2 4.13Å; L442-Y558 HydrophobicContact CD1-CE1 4.35Å; L442-Y558 HydrophobicContact CD1-CG 3.62Å; L442-Y558 HydrophobicContact CD2-CD1 4.37Å; L442-Y558 HydrophobicContact CD2-CD2 3.74Å; L442-Y558 HydrophobicContact CD2-CE1 4.32Å; L442-Y558 HydrophobicContact CD2-CE2 3.75Å; L442-Y558 HydrophobicContact CD2-CG 4.09Å; L442-Y558 HydrophobicContact CG-CD1 4.4Å; L442-Y558 HydrophobicContact CG-CG 4.39Å; L442-A605 HydrophobicContact CD1-CB 4.24Å
443	D	80.9	Confident	75.1	Confident	145 Å²	145	64.6 Å²	64.6	78%	0.775	38%	0.378	S	S	*	.			trans	46.1	39.8	-178.4	-65.4	-21.3	0	0	0	113.7	D441	D441-D443 VanDerWaalsContact C-N 3.32Å
444	I	82.4	Confident	73.4	Confident	19 Å²	19	69.2 Å²	69.2	10%	0.097	40%	0.398	C	S	.	.			trans	-82	126.9	178.3	-57.8	167.4	0	0	0	109.1	L442 G446 I447 L518 V520 I560 A605	L442-I444 HydrophobicContact CB-CD1 3.82Å; L442-I444 HydrophobicContact CB-CG1 3.83Å; L442-I444 HydrophobicContact CD1-CD1 3.97Å; L442-I444 PolarHBondContact O-N 2.92Å; L442-I444 VanDerWaalsContact O-N 3.11Å; I444-G446 PolarHBondContact O-N 2.03Å; I444-I447 HydrophobicContact CB-CB 4.26Å; I444-I447 HydrophobicContact CB-CD1 3.85Å; I444-I447 HydrophobicContact CB-CG1 4.24Å; I444-I447 HydrophobicContact CD1-CD1 4.09Å; I444-I447 HydrophobicContact CG2-CD1 3.6Å; I444-I447 HydrophobicContact CG2-CG1 4.06Å; I444-I447 WeakPolarHBondContact O-CB 3.27Å; I444-I447 PolarHBondContact O-N 3.29Å; I444-L518 HydrophobicContact CD1-CD2 3.9Å; I444-L518 HydrophobicContact CG1-CD2 3.51Å; I444-V520 HydrophobicContact CD1-CG2 4.45Å; I444-V520 HydrophobicContact CG1-CG2 4.37Å; I444-I560 HydrophobicContact CD1-CD1 4.06Å; I444-A605 HydrophobicContact CD1-CB 3.93Å
445	A	75.8	Confident	72	Confident	88 Å²	88	78 Å²	78	73%	0.727	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	131.2	179.8	0	0	0	0	0	112.6	I447	A445-I447 PolarHBondContact O-N 3.23Å
446	G	74.3	Confident	71.2	Confident	90 Å²	90	76.8 Å²	76.8	93%	0.928	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	-3.7	-179.5	0	0	0	0	0	115	I444	I444-G446 PolarHBondContact O-N 2.03Å
447	I	77.2	Confident	70.6	Confident	27 Å²	27	81.3 Å²	81.3	14%	0.138	45%	0.454	C	S	.	.			trans	-105.7	125.9	175.4	-56.6	-176.6	0	0	0	108.3	I444 A445 I560 Q566	I444-I447 HydrophobicContact CB-CB 4.26Å; I444-I447 HydrophobicContact CB-CD1 3.85Å; I444-I447 HydrophobicContact CB-CG1 4.24Å; I444-I447 HydrophobicContact CD1-CD1 4.09Å; I444-I447 HydrophobicContact CG2-CD1 3.6Å; I444-I447 HydrophobicContact CG2-CG1 4.06Å; I444-I447 WeakPolarHBondContact O-CB 3.27Å; I444-I447 PolarHBondContact O-N 3.29Å; A445-I447 PolarHBondContact O-N 3.23Å; I447-I560 HydrophobicContact CD1-CB 4.34Å; I447-I560 HydrophobicContact CD1-CG1 4.12Å; I447-I560 HydrophobicContact CD1-CG2 3.72Å; I447-Q566 VanDerWaalsContact CG2-CD 3.47Å; I447-Q566 HydrophobicContact CG2-CG 3.99Å
448	K	71.1	Confident	70.2	Confident	174 Å²	174	81.5 Å²	81.5	76%	0.757	46%	0.458	S	S	*	.			trans	-70.4	136.3	177.2	-67.6	-177.4	179.5	178.7	0	109.8	Q566	K448-Q566 PolarHBondContact O-NE2 3.19Å
449	S	68.2	Low	70.4	Confident	50 Å²	50	75.4 Å²	75.4	35%	0.35	43%	0.431	S	S	.	.			trans	-62.6	136.8	163.7	162.4	0	0	0	0	108.9	D441 H451	D441-S449 WeakPolarHBondContact OD1-CB 3.07Å; D441-S449 PolarHBondContact OD1-OG 3.39Å; S449-H451 PolarHBondContact OG-N 3.42Å
450	H	65.1	Low	70.8	Confident	56 Å²	56	77.8 Å²	77.8	26%	0.259	44%	0.441	S	S	.	.			trans	-101.2	7.4	175.7	-67.3	-60.1	0	0	0	112.9	H452 Q464 Q566	H450-H452 PolarHBondContact O-N 2.88Å; H450-Q464 HydrophobicContact CB-CG 4.33Å; H450-Q464 PolarHBondContact CD2-OE1 3.11Å; H450-Q566 PolarHBondContact CD2-NE2 2.6Å; H450-Q566 PolarHBondContact NE2-NE2 2.97Å
451	H	63.3	Low	71.2	Confident	41 Å²	41	76.3 Å²	76.3	19%	0.19	43%	0.432	C	S	.	.			trans	-97.8	81.2	179.2	-63.1	-48.8	0	0	0	110.4	D441 S449 G453	D441-H451 IonicContact OD1-CD2 3.12Å; D441-H451 PolarHBondContact OD1-CD2 3.48Å; D441-H451 VanDerWaalsContact OD1-CD2 3.24Å; D441-H451 IonicContact OD1-CG 3.2Å; S449-H451 PolarHBondContact OG-N 3.42Å; H451-G453 VanDerWaalsContact C-N 3.28Å; H451-G453 PolarHBondContact O-N 3.04Å; H451-G453 VanDerWaalsContact O-N 3.13Å
452	H	53.9	Low	71.5	Confident	163 Å²	163	78 Å²	78	76%	0.755	44%	0.439	S	S	*	.			trans	-87	59.1	178	-74.5	-61.5	0	0	0	111.9	H450	H450-H452 PolarHBondContact O-N 2.88Å
453	G	55.1	Low	71.9	Confident	51 Å²	51	79.5 Å²	79.5	53%	0.526	44%	0.443	S	S	.	.			trans	145.1	77.3	170.4	0	0	0	0	0	114.9	H451 R455	H451-G453 VanDerWaalsContact C-N 3.28Å; H451-G453 PolarHBondContact O-N 3.04Å; H451-G453 VanDerWaalsContact O-N 3.13Å; G453-R455 PolarHBondContact O-N 3.1Å
454	K	53.8	Low	72.4	Confident	105 Å²	105	73.8 Å²	73.8	46%	0.457	41%	0.412	S	S	.	.			trans	-67.5	118.4	162.9	-72.8	179.1	-173.5	156.2	0	109	D441 G456	D441-K454 IonicContact OD2-NZ 2.93Å; D441-K454 PolarHBondContact OD2-NZ 3.29Å; K454-G456 PolarHBondContact O-N 3.34Å
455	R	58	Low	73	Confident	218 Å²	218	76.8 Å²	76.8	82%	0.823	43%	0.431	S	S	*	.	B	Isolated β-bridge	trans	-88.5	84.8	166.2	-167.2	177.5	-179.7	177.3	-0.1	108.1	G453 C458	G453-R455 PolarHBondContact O-N 3.1Å; R455-C458 PolarHBondContact N-O 3.24Å; R455-C458 VanDerWaalsContact O-CB 3.28Å; R455-C458 WeakPolarHBondContact O-CB 3.16Å; R455-C458 PolarHBondContact O-N 2.87Å
456	G	66.7	Low	73.9	Confident	58 Å²	58	73 Å²	73	60%	0.598	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	-133.1	-172.1	0	0	0	0	0	111.7	K454 C458	K454-G456 PolarHBondContact O-N 3.34Å; G456-C458 PolarHBondContact O-N 3.24Å
457	N	66.3	Low	74.9	Confident	163 Å²	163	70.6 Å²	70.6	87%	0.872	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	12.7	176.5	-72.6	-11.5	0	0	0	113.7
458	C	70.7	Confident	75.7	Confident	24 Å²	24	70 Å²	70	16%	0.162	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-110.6	123.4	-170.3	-159.8	0	0	0	0	111.4	C436 R455 G456	C436-C458 WeakPolarHBondContact CA-SG 3.31Å; C436-C458 HydrophobicContact CB-CB 4.38Å; C436-C458 WeakPolarHBondContact CB-SG 3.12Å; C436-C458 WeakPolarHBondContact SG-CA 3.39Å; C436-C458 WeakPolarHBondContact SG-CB 3.12Å; C436-C458 CovalentContact SG-SG 2.03Å; C436-C458 PolarHBondContact SG-SG 2.86Å; R455-C458 PolarHBondContact N-O 3.24Å; R455-C458 VanDerWaalsContact O-CB 3.28Å; R455-C458 WeakPolarHBondContact O-CB 3.16Å; R455-C458 PolarHBondContact O-N 2.87Å; G456-C458 PolarHBondContact O-N 3.24Å
459	S	78.9	Confident	76.9	Confident	7 Å²	7	62.9 Å²	62.9	5%	0.049	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-116.7	155.6	173.4	-46.8	0	0	0	0	110	R437	R437-S459 WeakPolarHBondContact CA-O 3.46Å; R437-S459 WeakPolarHBondContact CB-O 3.37Å; R437-S459 PolarHBondContact N-O 3.41Å; R437-S459 WeakPolarHBondContact O-CA 3.17Å; R437-S459 VanDerWaalsContact O-CB 3.26Å; R437-S459 WeakPolarHBondContact O-CB 3.2Å; R437-S459 PolarHBondContact O-N 2.89Å
460	H	84.1	Confident	78.2	Confident	62 Å²	62	60.6 Å²	60.6	29%	0.287	33%	0.331	S	S	.	.			trans	-130.7	143.7	-180	-66.5	-97.1	0	0	0	108.5	D433 R435 M439 E462	D433-H460 HydrophobicContact CB-CB 4.25Å; D433-H460 PolarHBondContact O-ND1 3.23Å; R435-H460 PolarHBondContact O-CE1 2.96Å; R435-H460 VanDerWaalsContact O-CE1 3.29Å; R435-H460 PolarHBondContact O-ND1 3.05Å; M439-H460 WeakPolarHBondContact CE-O 3.38Å; H460-E462 PolarHBondContact O-N 2.71Å
461	F	85.6	Confident	79.7	Confident	12 Å²	12	60.7 Å²	60.7	5%	0.053	33%	0.332	C	S	.	.			trans	-62.8	101.5	173.5	-76.4	-59.4	0	0	0	110	S356 D433 R437 M439 N473 H474 L475 M568	S356-F461 VanDerWaalsContact OG-CZ 3.24Å; S356-F461 WeakPolarHBondContact OG-CZ 3.3Å; D433-F461 HydrophobicContact CB-CB 4.27Å; D433-F461 PolarHBondContact OD2-N 2.93Å; R437-F461 VanDerWaalsContact CZ-CE2 3.48Å; R437-F461 VanDerWaalsContact NE-CE2 3.28Å; M439-F461 HydrophobicContact CE-CD1 4.07Å; M439-F461 HydrophobicContact CE-CG 4.49Å; M439-F461 HydrophobicContact CG-CE1 4.41Å; M439-F461 HydrophobicContact SD-CD1 3.31Å; M439-F461 WeakPolarHBondContact SD-CD1 3.32Å; M439-F461 HydrophobicContact SD-CE1 3.31Å; M439-F461 WeakPolarHBondContact SD-CE1 3.33Å; M439-F461 HydrophobicContact SD-CG 4.17Å; M439-F461 HydrophobicContact SD-CZ 4.19Å; F461-N473 PolarHBondContact O-ND2 3.25Å; F461-H474 HydrophobicContact CD1-CB 3.77Å; F461-H474 AromaticContact CD1-CG 3.91Å; F461-H474 AromaticContact CD1-ND1 3.88Å; F461-H474 HydrophobicContact CD2-CB 4.18Å; F461-H474 HydrophobicContact CE1-CB 3.72Å; F461-H474 AromaticContact CE1-CG 3.72Å; F461-H474 AromaticContact CE1-ND1 3.99Å; F461-H474 HydrophobicContact CE2-CB 4.11Å; F461-H474 HydrophobicContact CG-CB 4.03Å; F461-H474 HydrophobicContact CZ-CB 3.91Å; F461-L475 HydrophobicContact CD2-CD1 3.92Å; F461-L475 HydrophobicContact CD2-CD2 4.01Å; F461-L475 HydrophobicContact CD2-CG 3.69Å; F461-L475 HydrophobicContact CE2-CD2 4.13Å; F461-L475 HydrophobicContact CE2-CG 4.3Å; F461-M568 HydrophobicContact CE1-CE 4.09Å; F461-M568 HydrophobicContact CZ-CE 4.48Å
462	E	86.2	Confident	81.2	Confident	68 Å²	68	58.8 Å²	58.8	32%	0.318	32%	0.323	S	S	.	.			trans	-76.8	149.8	174.6	-69.7	179.2	-157.4	0	0	110.7	H460 Q464 N473	H460-E462 PolarHBondContact O-N 2.71Å; E462-Q464 PolarHBondContact O-N 3.04Å; E462-N473 PolarHBondContact O-ND2 3.4Å
463	W	92	Very high	83.2	Confident	48 Å²	48	51 Å²	51	18%	0.182	29%	0.287	C	S	.	.			trans	-65.6	126.1	170.3	-74.9	90.9	0	0	0	110	R428 L431 E471 N473 F476	R428-W463 HydrophobicContact CB-CD2 3.83Å; R428-W463 HydrophobicContact CB-CE3 3.75Å; R428-W463 HydrophobicContact CB-CH2 3.44Å; R428-W463 VanDerWaalsContact CB-CH2 3.44Å; R428-W463 HydrophobicContact CB-CZ2 3.53Å; R428-W463 HydrophobicContact CB-CZ3 3.54Å; R428-W463 HydrophobicContact CG-CD2 4.49Å; L431-W463 HydrophobicContact CB-CZ2 3.68Å; L431-W463 HydrophobicContact CD1-CH2 4.24Å; L431-W463 HydrophobicContact CD1-CZ2 3.91Å; L431-W463 HydrophobicContact CG-CZ2 4.42Å; L431-W463 PolarHBondContact O-NE1 3.4Å; W463-E471 HydrophobicContact CE3-CB 4.16Å; W463-N473 HydrophobicContact CD2-CB 3.99Å; W463-N473 HydrophobicContact CE3-CB 3.87Å; W463-N473 HydrophobicContact CH2-CB 3.92Å; W463-N473 HydrophobicContact CZ2-CB 4.01Å; W463-N473 HydrophobicContact CZ3-CB 3.86Å; W463-F476 HydrophobicContact CH2-CB 3.68Å; W463-F476 HydrophobicContact CH2-CD2 4.43Å; W463-F476 HydrophobicContact CH2-CG 4.45Å; W463-F476 HydrophobicContact CZ2-CB 3.78Å; W463-F476 AromaticContact CZ2-CD2 3.7Å; W463-F476 HydrophobicContact CZ2-CD2 3.7Å; W463-F476 HydrophobicContact CZ2-CG 4.05Å
464	Q	92.3	Very high	85.1	Confident	25 Å²	25	48.9 Å²	48.9	12%	0.117	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	157	178.3	-69.9	-179.5	67.8	0	0	110.3	H450 E462 E471 F472	H450-Q464 HydrophobicContact CB-CG 4.33Å; H450-Q464 PolarHBondContact CD2-OE1 3.11Å; E462-Q464 PolarHBondContact O-N 3.04Å; Q464-E471 CarbonylContact O-C 3.54Å; Q464-E471 VanDerWaalsContact O-CA 3.23Å; Q464-E471 WeakPolarHBondContact O-CA 3.32Å; Q464-F472 HydrophobicContact CB-CD1 4.25Å; Q464-F472 HydrophobicContact CB-CD2 4.48Å; Q464-F472 HydrophobicContact CB-CE1 3.64Å; Q464-F472 HydrophobicContact CB-CE2 3.9Å; Q464-F472 HydrophobicContact CB-CZ 3.45Å; Q464-F472 VanDerWaalsContact CB-CZ 3.45Å; Q464-F472 HydrophobicContact CG-CZ 4.35Å; Q464-F472 PolarHBondContact N-O 3.45Å; Q464-F472 PolarHBondContact O-N 2.67Å
465	V	94.2	Very high	87	Confident	82 Å²	82	43.9 Å²	43.9	50%	0.497	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	124.7	177.2	-178.3	0	0	0	0	108.1	G469 L470 E471	V465-G469 VanDerWaalsContact CG1-CA 3.46Å; V465-L470 WeakPolarHBondContact CA-O 3.06Å; V465-E471 HydrophobicContact CG2-CG 3.97Å
466	N	95.7	Very high	88.8	Confident	8 Å²	8	33.5 Å²	33.5	4%	0.043	20%	0.202	C	C	.	.			trans	-79	177.3	180	86.9	-7.2	0	0	0	111.9	V468 G469 L470 F472 T565 H592 W594 E596	N466-V468 PolarHBondContact O-N 2.85Å; N466-V468 VanDerWaalsContact O-N 3.07Å; N466-V468 WeakPolarHBondContact OD1-CG2 3.1Å; N466-V468 PolarHBondContact OD1-N 2.95Å; N466-V468 VanDerWaalsContact OD1-N 3.1Å; N466-G469 PolarHBondContact O-N 2.94Å; N466-G469 PolarHBondContact OD1-N 3.07Å; N466-L470 PolarHBondContact N-O 3Å; N466-L470 PolarHBondContact OD1-N 3.06Å; N466-F472 HydrophobicContact CB-CD1 3.94Å; N466-F472 HydrophobicContact CB-CE1 3.83Å; N466-T565 WeakPolarHBondContact CA-OG1 3.31Å; N466-T565 HydrophobicContact CB-CG2 3.98Å; N466-H592 VanDerWaalsContact CB-O 3.24Å; N466-H592 WeakPolarHBondContact CB-O 3.25Å; N466-H592 PolarHBondContact ND2-O 3.08Å; N466-W594 PolarHBondContact ND2-O 3.08Å; N466-E596 VanDerWaalsContact CB-OE1 3.26Å; N466-E596 WeakPolarHBondContact CB-OE1 3.47Å
467	G	93.6	Very high	90.2	Very high	41 Å²	41	30.7 Å²	30.7	42%	0.423	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-18.9	-174.2	0	0	0	0	0	115.6	T565 E596	G467-T565 PolarHBondContact N-OG1 2.8Å; G467-E596 PolarHBondContact N-OE1 3.23Å
468	V	95.2	Very high	91.7	Very high	14 Å²	14	23 Å²	23	9%	0.085	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-4.7	174.6	-66.1	0	0	0	0	113.8	N466 L470 W594 G595 E596 I649 V650 A653	N466-V468 PolarHBondContact O-N 2.85Å; N466-V468 VanDerWaalsContact O-N 3.07Å; N466-V468 WeakPolarHBondContact OD1-CG2 3.1Å; N466-V468 PolarHBondContact OD1-N 2.95Å; N466-V468 VanDerWaalsContact OD1-N 3.1Å; V468-L470 HydrophobicContact CG2-CD1 4.06Å; V468-L470 HydrophobicContact CG2-CG 4Å; V468-W594 WeakPolarHBondContact CG2-O 3.37Å; V468-G595 VanDerWaalsContact CG1-O 3.32Å; V468-G595 WeakPolarHBondContact CG1-O 3.33Å; V468-E596 HydrophobicContact CG1-CG 4.31Å; V468-I649 WeakPolarHBondContact O-CG2 3.44Å; V468-V650 HydrophobicContact CG2-CG2 4.15Å; V468-A653 HydrophobicContact CB-CB 3.91Å; V468-A653 HydrophobicContact CG1-CB 4.03Å
469	G	95.2	Very high	93	Very high	25 Å²	25	21.8 Å²	21.8	26%	0.258	13%	0.125	S	C	.	.	S	Bend	trans	98.7	10.1	179.7	0	0	0	0	0	114.8	V465 N466	V465-G469 VanDerWaalsContact CG1-CA 3.46Å; N466-G469 PolarHBondContact O-N 2.94Å; N466-G469 PolarHBondContact OD1-N 3.07Å
470	L	96.7	Very high	93.8	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	12%	0.124	C	C	.	.			trans	-82.3	133.4	175.5	-66.9	174.2	0	0	0	110.8	V423 V465 N466 V468 F478 W594 K646 V650	V423-L470 HydrophobicContact CG1-CD1 3.8Å; V465-L470 WeakPolarHBondContact CA-O 3.06Å; N466-L470 PolarHBondContact N-O 3Å; N466-L470 PolarHBondContact OD1-N 3.06Å; V468-L470 HydrophobicContact CG2-CD1 4.06Å; V468-L470 HydrophobicContact CG2-CG 4Å; L470-F478 HydrophobicContact CB-CD1 4.28Å; L470-F478 HydrophobicContact CB-CE1 3.89Å; L470-F478 HydrophobicContact CD1-CE1 4.09Å; L470-W594 HydrophobicContact CD1-CB 4.44Å; L470-K646 HydrophobicContact CD2-CB 3.86Å; L470-K646 HydrophobicContact CD2-CD 4.13Å; L470-K646 HydrophobicContact CD2-CG 3.91Å; L470-V650 HydrophobicContact CD1-CG2 3.8Å; L470-V650 HydrophobicContact CD2-CG2 3.64Å; L470-V650 HydrophobicContact CG-CG2 3.65Å
471	E	95.7	Very high	94.5	Very high	59 Å²	59	18.9 Å²	18.9	28%	0.276	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	132.5	174.7	-68.1	175	138.5	0	0	110.7	R428 W463 Q464 V465 F478	R428-E471 VanDerWaalsContact CD-OE2 3.24Å; R428-E471 WeakPolarHBondContact CD-OE2 3.2Å; R428-E471 WeakPolarHBondContact CG-OE2 3.3Å; R428-E471 IonicContact CZ-OE1 3.08Å; R428-E471 IonicContact CZ-OE2 2.77Å; R428-E471 IonicContact NE-OE1 2.93Å; R428-E471 PolarHBondContact NE-OE1 3.07Å; R428-E471 IonicContact NE-OE2 3.43Å; R428-E471 PolarHBondContact NE-OE2 3.48Å; R428-E471 IonicContact NH2-OE1 3.08Å; R428-E471 PolarHBondContact NH2-OE1 3.36Å; W463-E471 HydrophobicContact CE3-CB 4.16Å; Q464-E471 CarbonylContact O-C 3.54Å; Q464-E471 VanDerWaalsContact O-CA 3.23Å; Q464-E471 WeakPolarHBondContact O-CA 3.32Å; V465-E471 HydrophobicContact CG2-CG 3.97Å; E471-F478 VanDerWaalsContact O-CD1 3.3Å; E471-F478 WeakPolarHBondContact O-CD1 3.2Å
472	F	96	Very high	95	Very high	1 Å²	1	19.8 Å²	19.8	0%	0.004	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	161.8	177.1	71.7	-88.5	0	0	0	112	Q464 N466 G477 F478 T565 H592	Q464-F472 HydrophobicContact CB-CD1 4.25Å; Q464-F472 HydrophobicContact CB-CD2 4.48Å; Q464-F472 HydrophobicContact CB-CE1 3.64Å; Q464-F472 HydrophobicContact CB-CE2 3.9Å; Q464-F472 HydrophobicContact CB-CZ 3.45Å; Q464-F472 VanDerWaalsContact CB-CZ 3.45Å; Q464-F472 HydrophobicContact CG-CZ 4.35Å; Q464-F472 PolarHBondContact N-O 3.45Å; Q464-F472 PolarHBondContact O-N 2.67Å; N466-F472 HydrophobicContact CB-CD1 3.94Å; N466-F472 HydrophobicContact CB-CE1 3.83Å; F472-G477 CarbonylContact C-O 3.55Å; F472-G477 VanDerWaalsContact CA-O 3.29Å; F472-G477 WeakPolarHBondContact CA-O 3.35Å; F472-F478 HydrophobicContact CB-CD1 4.29Å; F472-F478 HydrophobicContact CB-CE1 4.14Å; F472-T565 HydrophobicContact CE1-CG2 3.71Å; F472-T565 HydrophobicContact CZ-CG2 3.73Å; F472-H592 HydrophobicContact CD1-CB 4.3Å; F472-H592 HydrophobicContact CD2-CB 3.69Å; F472-H592 AromaticContact CD2-CD2 3.39Å; F472-H592 WeakPolarHBondContact CD2-CD2 3.43Å; F472-H592 AromaticContact CD2-CE1 3.76Å; F472-H592 AromaticContact CD2-CG 3.28Å; F472-H592 AromaticContact CD2-ND1 3.54Å; F472-H592 AromaticContact CD2-NE2 3.69Å; F472-H592 HydrophobicContact CE1-CB 4.3Å; F472-H592 HydrophobicContact CE2-CB 3.69Å; F472-H592 AromaticContact CE2-CE1 3.9Å; F472-H592 AromaticContact CE2-CG 3.47Å; F472-H592 VanDerWaalsContact CE2-CG 3.47Å; F472-H592 AromaticContact CE2-ND1 3.39Å; F472-H592 WeakPolarHBondContact CE2-ND1 3.46Å; F472-H592 HydrophobicContact CG-CB 4Å; F472-H592 AromaticContact CG-CD2 3.96Å; F472-H592 AromaticContact CG-CG 3.98Å; F472-H592 HydrophobicContact CZ-CB 4Å
473	N	94.9	Very high	95.5	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-149.1	142.2	176.3	-171.7	-77.6	0	0	0	110.5	F461 E462 W463 L475 F476 G477	F461-N473 PolarHBondContact O-ND2 3.25Å; E462-N473 PolarHBondContact O-ND2 3.4Å; W463-N473 HydrophobicContact CD2-CB 3.99Å; W463-N473 HydrophobicContact CE3-CB 3.87Å; W463-N473 HydrophobicContact CH2-CB 3.92Å; W463-N473 HydrophobicContact CZ2-CB 4.01Å; W463-N473 HydrophobicContact CZ3-CB 3.86Å; N473-L475 PolarHBondContact O-N 3.28Å; N473-L475 VanDerWaalsContact O-N 3.15Å; N473-L475 WeakPolarHBondContact OD1-CB 3.37Å; N473-L475 PolarHBondContact OD1-N 3.03Å; N473-F476 HydrophobicContact CB-CB 4.28Å; N473-F476 HydrophobicContact CB-CD2 4.18Å; N473-F476 PolarHBondContact O-N 2.91Å; N473-G477 PolarHBondContact N-O 2.92Å; N473-G477 WeakPolarHBondContact O-CA 3.46Å; N473-G477 PolarHBondContact O-N 2.96Å
474	H	94.5	Very high	95.5	Very high	5 Å²	5	14.5 Å²	14.5	2%	0.023	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-19.5	179.4	-72.1	76.7	0	0	0	115	C357 F461 M568 H592	C357-H474 CarbonylContact C-O 3.59Å; C357-H474 PolarHBondContact N-O 2.88Å; C357-H474 VanDerWaalsContact O-O 3.12Å; F461-H474 HydrophobicContact CD1-CB 3.77Å; F461-H474 AromaticContact CD1-CG 3.91Å; F461-H474 AromaticContact CD1-ND1 3.88Å; F461-H474 HydrophobicContact CD2-CB 4.18Å; F461-H474 HydrophobicContact CE1-CB 3.72Å; F461-H474 AromaticContact CE1-CG 3.72Å; F461-H474 AromaticContact CE1-ND1 3.99Å; F461-H474 HydrophobicContact CE2-CB 4.11Å; F461-H474 HydrophobicContact CG-CB 4.03Å; F461-H474 HydrophobicContact CZ-CB 3.91Å; H474-M568 PolarHBondContact NE2-N 3.36Å; H474-M568 VanDerWaalsContact NE2-N 3.19Å; H474-M568 PolarHBondContact NE2-O 3.36Å; H474-H592 AromaticContact CD2-CE1 3.59Å; H474-H592 AromaticContact CE1-CE1 3.61Å; H474-H592 AromaticContact CE1-ND1 3.97Å; H474-H592 AromaticContact CG-CE1 3.84Å; H474-H592 AromaticContact ND1-CE1 3.87Å; H474-H592 AromaticContact NE2-CE1 3.43Å; H474-H592 PolarHBondContact NE2-CE1 2.92Å; H474-H592 AromaticContact NE2-ND1 3.88Å
475	L	94.4	Very high	95.6	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-44.8	175.2	-58	174.9	0	0	0	111.1	N342 N350 E355 D433 F461 N473	N342-L475 VanDerWaalsContact CB-O 3.22Å; N342-L475 WeakPolarHBondContact CB-O 3.4Å; N342-L475 PolarHBondContact ND2-O 3.02Å; N350-L475 HydrophobicContact CB-CD1 3.81Å; E355-L475 WeakPolarHBondContact O-CD2 3.37Å; D433-L475 HydrophobicContact CB-CD1 3.91Å; F461-L475 HydrophobicContact CD2-CD1 3.92Å; F461-L475 HydrophobicContact CD2-CD2 4.01Å; F461-L475 HydrophobicContact CD2-CG 3.69Å; F461-L475 HydrophobicContact CE2-CD2 4.13Å; F461-L475 HydrophobicContact CE2-CG 4.3Å; N473-L475 PolarHBondContact O-N 3.28Å; N473-L475 VanDerWaalsContact O-N 3.15Å; N473-L475 WeakPolarHBondContact OD1-CB 3.37Å; N473-L475 PolarHBondContact OD1-N 3.03Å
476	F	96.2	Very high	95.7	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	0.8	-168.2	-53.5	-67.7	0	0	0	114.9	A344 N350 S363 L431 Y432 W463 N473 F478 G479	A344-F476 HydrophobicContact CB-CD1 4.33Å; A344-F476 HydrophobicContact CB-CE1 3.9Å; N350-F476 HydrophobicContact CB-CE1 4.01Å; N350-F476 HydrophobicContact CB-CZ 3.71Å; S363-F476 WeakPolarHBondContact OG-CA 3.03Å; L431-F476 HydrophobicContact CB-CD1 4.41Å; L431-F476 HydrophobicContact CB-CD2 3.99Å; L431-F476 HydrophobicContact CB-CE1 4.46Å; L431-F476 HydrophobicContact CB-CE2 4.04Å; L431-F476 HydrophobicContact CB-CG 4.17Å; L431-F476 HydrophobicContact CB-CZ 4.26Å; L431-F476 HydrophobicContact CD1-CB 3.83Å; L431-F476 HydrophobicContact CD1-CD1 3.91Å; L431-F476 HydrophobicContact CD1-CD2 4.42Å; L431-F476 HydrophobicContact CD1-CG 3.8Å; L431-F476 HydrophobicContact CD2-CD1 4.32Å; L431-F476 HydrophobicContact CD2-CE1 4.24Å; L431-F476 HydrophobicContact CG-CD1 4.44Å; L431-F476 HydrophobicContact CG-CG 4.48Å; Y432-F476 WeakPolarHBondContact O-CZ 3.1Å; W463-F476 HydrophobicContact CH2-CB 3.68Å; W463-F476 HydrophobicContact CH2-CD2 4.43Å; W463-F476 HydrophobicContact CH2-CG 4.45Å; W463-F476 HydrophobicContact CZ2-CB 3.78Å; W463-F476 AromaticContact CZ2-CD2 3.7Å; W463-F476 HydrophobicContact CZ2-CD2 3.7Å; W463-F476 HydrophobicContact CZ2-CG 4.05Å; N473-F476 HydrophobicContact CB-CB 4.28Å; N473-F476 HydrophobicContact CB-CD2 4.18Å; N473-F476 PolarHBondContact O-N 2.91Å; F476-F478 PolarHBondContact O-N 3.41Å; F476-G479 WeakPolarHBondContact O-CA 3.3Å; F476-G479 PolarHBondContact O-N 3.21Å
477	G	96.9	Very high	95.7	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.073	C	C	.	.	B	Isolated β-bridge	trans	55.9	-126.7	-169.9	0	0	0	0	0	110.6	T360 F472 N473 G479	T360-G477 WeakPolarHBondContact O-CA 3.2Å; F472-G477 CarbonylContact C-O 3.55Å; F472-G477 VanDerWaalsContact CA-O 3.29Å; F472-G477 WeakPolarHBondContact CA-O 3.35Å; N473-G477 PolarHBondContact N-O 2.92Å; N473-G477 WeakPolarHBondContact O-CA 3.46Å; N473-G477 PolarHBondContact O-N 2.96Å; G477-G479 VanDerWaalsContact C-N 3.33Å
478	F	97.6	Very high	95.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	3.3	175.1	-69.5	-83.9	0	0	0	114.3	L361 V423 S426 L470 E471 F472 F476 T591 W594 K646	L361-F478 HydrophobicContact CD1-CD2 4.18Å; L361-F478 HydrophobicContact CD1-CE2 4.14Å; L361-F478 WeakPolarHBondContact O-CD2 3.46Å; L361-F478 PolarHBondContact O-N 3.21Å; V423-F478 HydrophobicContact CB-CD2 4.18Å; V423-F478 HydrophobicContact CB-CE2 4.49Å; V423-F478 HydrophobicContact CB-CG 4.28Å; V423-F478 HydrophobicContact CG1-CD1 3.76Å; V423-F478 HydrophobicContact CG1-CD2 3.97Å; V423-F478 HydrophobicContact CG1-CE1 3.87Å; V423-F478 HydrophobicContact CG1-CE2 4.06Å; V423-F478 HydrophobicContact CG1-CG 3.81Å; V423-F478 HydrophobicContact CG1-CZ 4.01Å; V423-F478 HydrophobicContact CG2-CD2 3.61Å; V423-F478 HydrophobicContact CG2-CE2 3.74Å; V423-F478 HydrophobicContact CG2-CG 4.21Å; V423-F478 HydrophobicContact CG2-CZ 4.44Å; S426-F478 WeakPolarHBondContact CB-O 3.3Å; L470-F478 HydrophobicContact CB-CD1 4.28Å; L470-F478 HydrophobicContact CB-CE1 3.89Å; L470-F478 HydrophobicContact CD1-CE1 4.09Å; E471-F478 VanDerWaalsContact O-CD1 3.3Å; E471-F478 WeakPolarHBondContact O-CD1 3.2Å; F472-F478 HydrophobicContact CB-CD1 4.29Å; F472-F478 HydrophobicContact CB-CE1 4.14Å; F476-F478 PolarHBondContact O-N 3.41Å; F478-T591 WeakPolarHBondContact CZ-O 3.4Å; F478-W594 HydrophobicContact CE1-CB 4.32Å; F478-W594 HydrophobicContact CE2-CB 4.19Å; F478-W594 HydrophobicContact CZ-CB 3.54Å; F478-W594 HydrophobicContact CZ-CG 4.37Å; F478-K646 PolarHBondContact O-NZ 2.78Å
479	G	97	Very high	95.5	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.062	C	C	.	.			trans	121	-175.6	177.5	0	0	0	0	0	114.7	A362 S363 S426 S427 F476 G477	A362-G479 WeakPolarHBondContact CA-O 3.23Å; A362-G479 WeakPolarHBondContact CB-O 3.37Å; S363-G479 PolarHBondContact N-O 3.26Å; S426-G479 WeakPolarHBondContact CB-O 3.39Å; S426-G479 PolarHBondContact OG-O 3.13Å; S427-G479 CarbonylContact O-C 3.55Å; S427-G479 VanDerWaalsContact O-CA 3.3Å; S427-G479 WeakPolarHBondContact O-CA 3.38Å; F476-G479 WeakPolarHBondContact O-CA 3.3Å; F476-G479 PolarHBondContact O-N 3.21Å; G477-G479 VanDerWaalsContact C-N 3.33Å
480	I	96.7	Very high	95.5	Very high	8 Å²	8	9.9 Å²	9.9	4%	0.041	5%	0.049	C	C	.	.	B	Isolated β-bridge	trans	-69.3	135.1	174.6	-63.3	-60.1	0	0	0	110.5	L151 A344 S363 T364 F365 S426 S427 L431 D482	L151-I480 HydrophobicContact CD2-CG2 4.19Å; A344-I480 HydrophobicContact CB-CD1 3.84Å; S363-I480 CarbonylContact O-C 3.55Å; S363-I480 VanDerWaalsContact O-CA 3.24Å; S363-I480 WeakPolarHBondContact O-CA 3.42Å; T364-I480 WeakPolarHBondContact O-CD1 3.42Å; F365-I480 HydrophobicContact CD1-CD1 4.46Å; F365-I480 HydrophobicContact CE1-CD1 4.05Å; F365-I480 HydrophobicContact CE1-CG1 4.22Å; F365-I480 HydrophobicContact CE1-CG2 4.49Å; F365-I480 HydrophobicContact CE2-CG2 3.58Å; F365-I480 HydrophobicContact CZ-CB 4.44Å; F365-I480 HydrophobicContact CZ-CD1 4.18Å; F365-I480 HydrophobicContact CZ-CG1 4.04Å; F365-I480 HydrophobicContact CZ-CG2 3.59Å; S426-I480 CarbonylContact C-O 3.51Å; S426-I480 WeakPolarHBondContact CA-O 3.41Å; S427-I480 PolarHBondContact N-O 3.04Å; S427-I480 PolarHBondContact O-N 2.74Å; L431-I480 HydrophobicContact CD1-CB 4.49Å; L431-I480 HydrophobicContact CD1-CD1 4.1Å; L431-I480 HydrophobicContact CD1-CG1 3.58Å; L431-I480 HydrophobicContact CD2-CD1 4.04Å; L431-I480 HydrophobicContact CD2-CG1 3.73Å; L431-I480 HydrophobicContact CG-CG1 4.03Å; I480-D482 PolarHBondContact O-N 3.07Å
481	L	97.6	Very high	95.3	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.063	C	C	.	.			trans	-58.3	128.5	171.7	-66	-176.6	0	0	0	112	L151 A362 S363 T364 A399 V402 F403 T422 M486	L151-L481 HydrophobicContact CD2-CB 4.3Å; L151-L481 WeakPolarHBondContact CD2-O 3.08Å; A362-L481 HydrophobicContact CB-CD2 3.73Å; A362-L481 HydrophobicContact CB-CG 4.15Å; S363-L481 PolarHBondContact O-N 2.95Å; T364-L481 HydrophobicContact CG2-CB 4.13Å; T364-L481 HydrophobicContact CG2-CD1 3.62Å; T364-L481 HydrophobicContact CG2-CG 3.91Å; A399-L481 HydrophobicContact CB-CD1 3.47Å; A399-L481 VanDerWaalsContact CB-CD1 3.47Å; V402-L481 HydrophobicContact CB-CD1 4.21Å; V402-L481 HydrophobicContact CG1-CB 4.41Å; V402-L481 HydrophobicContact CG1-CD1 4.37Å; V402-L481 HydrophobicContact CG2-CD1 4.49Å; F403-L481 HydrophobicContact CE1-CD1 4.16Å; F403-L481 HydrophobicContact CE1-CD2 4.41Å; F403-L481 HydrophobicContact CZ-CD1 4.14Å; T422-L481 HydrophobicContact CG2-CD2 3.66Å; L481-M486 HydrophobicContact CD2-CE 3.79Å
482	D	96.6	Very high	95.1	Very high	31 Å²	31	15.3 Å²	15.3	17%	0.166	8%	0.077	C	C	.	.			trans	-105.5	109.4	169.5	-173.8	-42.7	0	0	0	109.3	N152 I480 A484 E485 M486	N152-D482 WeakPolarHBondContact CB-OD1 3.47Å; N152-D482 VanDerWaalsContact ND2-CG 3.33Å; N152-D482 PolarHBondContact ND2-OD1 3.48Å; N152-D482 PolarHBondContact ND2-OD2 3.21Å; I480-D482 PolarHBondContact O-N 3.07Å; D482-A484 VanDerWaalsContact C-N 3.3Å; D482-A484 PolarHBondContact O-N 3.4Å; D482-A484 WeakPolarHBondContact OD1-CA 3.45Å; D482-A484 WeakPolarHBondContact OD1-CB 3.5Å; D482-A484 PolarHBondContact OD1-N 2.75Å; D482-E485 HydrophobicContact CB-CB 3.94Å; D482-E485 HydrophobicContact CB-CG 3.93Å; D482-E485 PolarHBondContact OD1-N 3.46Å; D482-M486 VanDerWaalsContact O-CB 3.27Å; D482-M486 WeakPolarHBondContact O-CB 3.46Å; D482-M486 PolarHBondContact O-N 3.17Å
483	A	96.7	Very high	95	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63.2	-36.5	-177.1	0	0	0	0	0	112.7	L151 V153 A156 V402 L405 V487	L151-A483 WeakPolarHBondContact O-CB 3.48Å; L151-A483 PolarHBondContact O-N 3.39Å; V153-A483 HydrophobicContact CG1-CB 3.88Å; A156-A483 HydrophobicContact CB-CB 4.1Å; V402-A483 HydrophobicContact CG1-CB 4.06Å; V402-A483 HydrophobicContact CG2-CB 4.12Å; L405-A483 HydrophobicContact CD1-CB 4.01Å; A483-V487 WeakPolarHBondContact O-CG1 2.88Å; A483-V487 WeakPolarHBondContact O-CG2 3.27Å; A483-V487 PolarHBondContact O-N 3.23Å
484	A	92.5	Very high	95	Very high	4 Å²	4	20.8 Å²	20.8	3%	0.033	10%	0.101	C	C	.	.	H	α-helix	trans	-72.5	-46	-177.8	0	0	0	0	0	111.2	N152 K155 D482 M486 V487 L488	N152-A484 HydrophobicContact CB-CB 4.49Å; N152-A484 WeakPolarHBondContact ND2-CB 3.42Å; K155-A484 HydrophobicContact CB-CB 3.66Å; D482-A484 VanDerWaalsContact C-N 3.3Å; D482-A484 PolarHBondContact O-N 3.4Å; D482-A484 WeakPolarHBondContact OD1-CA 3.45Å; D482-A484 WeakPolarHBondContact OD1-CB 3.5Å; D482-A484 PolarHBondContact OD1-N 2.75Å; A484-M486 VanDerWaalsContact C-N 3.25Å; A484-M486 PolarHBondContact O-N 2.91Å; A484-V487 VanDerWaalsContact O-CG2 3.26Å; A484-V487 WeakPolarHBondContact O-CG2 3.47Å; A484-V487 PolarHBondContact O-N 2.99Å; A484-L488 WeakPolarHBondContact O-CB 3.07Å; A484-L488 WeakPolarHBondContact O-CG 3.48Å; A484-L488 PolarHBondContact O-N 2.84Å
485	E	94	Very high	95	Very high	49 Å²	49	24.7 Å²	24.7	23%	0.229	13%	0.125	C	C	.	.	H	α-helix	trans	-61.3	-39.5	175.2	-65.5	-64.7	123.2	0	0	110.8	T425 D482 L489 H642	T425-E485 HydrophobicContact CG2-CB 4.25Å; D482-E485 HydrophobicContact CB-CB 3.94Å; D482-E485 HydrophobicContact CB-CG 3.93Å; D482-E485 PolarHBondContact OD1-N 3.46Å; E485-L489 WeakPolarHBondContact O-CB 3.49Å; E485-L489 PolarHBondContact O-N 2.71Å; E485-H642 VanDerWaalsContact CD-CE1 3.42Å; E485-H642 IonicContact OE1-CE1 3.6Å; E485-H642 PolarHBondContact OE1-CE1 2.96Å; E485-H642 IonicContact OE1-NE2 3.8Å; E485-H642 IonicContact OE2-CE1 3.51Å; E485-H642 PolarHBondContact OE2-CE1 3.36Å; E485-H642 IonicContact OE2-NE2 3.95Å; E485-H642 PolarHBondContact OE2-NE2 3.44Å; E485-H642 VanDerWaalsContact OE2-NE2 3.15Å
486	M	96.5	Very high	95.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-65.5	-47.8	178.6	-167.8	174.2	-69.1	0	0	112.9	V402 F403 A406 L421 T425 L481 D482 A484 L489 A490	V402-M486 HydrophobicContact CG1-CE 4.27Å; V402-M486 HydrophobicContact CG1-SD 3.79Å; F403-M486 HydrophobicContact CD1-CE 4.32Å; F403-M486 HydrophobicContact CD1-SD 3.78Å; F403-M486 HydrophobicContact CE1-CE 3.96Å; F403-M486 HydrophobicContact CE1-SD 4.04Å; A406-M486 HydrophobicContact CB-CG 3.76Å; A406-M486 HydrophobicContact CB-SD 3.83Å; L421-M486 HydrophobicContact CB-CG 4.26Å; T425-M486 HydrophobicContact CG2-CB 4.32Å; T425-M486 VanDerWaalsContact OG1-CE 3.29Å; T425-M486 WeakPolarHBondContact OG1-CE 3.3Å; L481-M486 HydrophobicContact CD2-CE 3.79Å; D482-M486 VanDerWaalsContact O-CB 3.27Å; D482-M486 WeakPolarHBondContact O-CB 3.46Å; D482-M486 PolarHBondContact O-N 3.17Å; A484-M486 VanDerWaalsContact C-N 3.25Å; A484-M486 PolarHBondContact O-N 2.91Å; M486-L489 PolarHBondContact O-N 3.33Å; M486-A490 WeakPolarHBondContact O-CB 3.29Å; M486-A490 PolarHBondContact O-N 3.04Å
487	V	95.1	Very high	95.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-66.7	-37.2	178.2	-63	0	0	0	0	112.3	A156 L159 Y161 L405 A409 A483 A484 A490 S491	A156-V487 HydrophobicContact CB-CG1 4.38Å; A156-V487 HydrophobicContact CB-CG2 4.04Å; L159-V487 HydrophobicContact CD1-CG2 3.89Å; Y161-V487 HydrophobicContact CD2-CB 3.64Å; Y161-V487 HydrophobicContact CD2-CG1 4.03Å; Y161-V487 HydrophobicContact CD2-CG2 3.64Å; Y161-V487 HydrophobicContact CE2-CB 3.93Å; Y161-V487 HydrophobicContact CE2-CG2 4Å; Y161-V487 HydrophobicContact CG-CB 4.21Å; Y161-V487 HydrophobicContact CG-CG1 4.16Å; L405-V487 HydrophobicContact CB-CG1 3.73Å; A409-V487 HydrophobicContact CB-CB 4.11Å; A409-V487 HydrophobicContact CB-CG1 4.44Å; A483-V487 WeakPolarHBondContact O-CG1 2.88Å; A483-V487 WeakPolarHBondContact O-CG2 3.27Å; A483-V487 PolarHBondContact O-N 3.23Å; A484-V487 VanDerWaalsContact O-CG2 3.26Å; A484-V487 WeakPolarHBondContact O-CG2 3.47Å; A484-V487 PolarHBondContact O-N 2.99Å; V487-A490 PolarHBondContact O-N 2.76Å; V487-S491 WeakPolarHBondContact O-CB 3.36Å; V487-S491 PolarHBondContact O-N 3.4Å
488	L	92.2	Very high	95	Very high	45 Å²	45	29.5 Å²	29.5	24%	0.236	16%	0.161	C	C	.	.	H	α-helix	trans	-61.9	-50.6	176.7	-74.9	172	0	0	0	110.5	L159 A484 S491 L639	L159-L488 HydrophobicContact CD1-CD1 4.44Å; L159-L488 HydrophobicContact CD1-CD2 3.72Å; L159-L488 HydrophobicContact CD1-CG 3.85Å; L159-L488 HydrophobicContact CD2-CD2 4.42Å; A484-L488 WeakPolarHBondContact O-CB 3.07Å; A484-L488 WeakPolarHBondContact O-CG 3.48Å; A484-L488 PolarHBondContact O-N 2.84Å; L488-S491 PolarHBondContact O-N 2.95Å; L488-S491 PolarHBondContact O-OG 3.36Å; L488-L639 HydrophobicContact CB-CD1 4.22Å
489	L	93.8	Very high	94.8	Very high	5 Å²	5	32.8 Å²	32.8	3%	0.026	17%	0.174	C	C	.	.	H	α-helix	trans	-68.6	-38.1	179.7	-172.2	54.6	0	0	0	112	L421 L424 T425 E485 M486 S491 K492 W493 I636 L647	L421-L489 HydrophobicContact CD2-CB 3.84Å; L421-L489 HydrophobicContact CD2-CD2 3.83Å; L421-L489 HydrophobicContact CD2-CG 3.59Å; L424-L489 HydrophobicContact CB-CD2 4.07Å; L424-L489 HydrophobicContact CD1-CD2 4.25Å; T425-L489 HydrophobicContact CG2-CB 4.15Å; T425-L489 HydrophobicContact CG2-CD2 3.71Å; E485-L489 WeakPolarHBondContact O-CB 3.49Å; E485-L489 PolarHBondContact O-N 2.71Å; M486-L489 PolarHBondContact O-N 3.33Å; L489-S491 VanDerWaalsContact C-N 3.31Å; L489-S491 PolarHBondContact O-N 3.5Å; L489-K492 PolarHBondContact O-N 2.88Å; L489-W493 HydrophobicContact CD1-CE3 4.19Å; L489-W493 HydrophobicContact CD1-CZ3 4.3Å; L489-W493 HydrophobicContact CD2-CE3 4.32Å; L489-W493 HydrophobicContact CD2-CZ3 3.88Å; L489-W493 HydrophobicContact CG-CE3 3.82Å; L489-W493 HydrophobicContact CG-CZ3 3.9Å; L489-W493 PolarHBondContact O-N 3.46Å; L489-I636 HydrophobicContact CD1-CG2 4.43Å; L489-L647 HydrophobicContact CD1-CD2 4.1Å
490	A	95	Very high	94.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-56.7	-41.4	174.1	0	0	0	0	0	112.6	A406 A409 N410 L413 L421 M486 V487 K492 W493	A406-A490 HydrophobicContact CB-CB 4.32Å; A409-A490 HydrophobicContact CB-CB 4.11Å; N410-A490 VanDerWaalsContact CB-O 3.29Å; N410-A490 WeakPolarHBondContact CB-O 3.27Å; N410-A490 PolarHBondContact ND2-O 2.87Å; L413-A490 HydrophobicContact CD1-CB 3.92Å; L421-A490 HydrophobicContact CD1-CB 4.09Å; M486-A490 WeakPolarHBondContact O-CB 3.29Å; M486-A490 PolarHBondContact O-N 3.04Å; V487-A490 PolarHBondContact O-N 2.76Å; A490-K492 PolarHBondContact O-N 2.81Å; A490-K492 VanDerWaalsContact O-N 3.15Å; A490-W493 VanDerWaalsContact O-CB 3.28Å; A490-W493 WeakPolarHBondContact O-CB 3.33Å; A490-W493 PolarHBondContact O-N 3.4Å
491	S	91.8	Very high	94.8	Very high	42 Å²	42	41.3 Å²	41.3	29%	0.294	21%	0.21	S	C	.	.	H	α-helix	trans	-62	-22.6	-177.7	78.4	0	0	0	0	114.3	V487 L488 L489	V487-S491 WeakPolarHBondContact O-CB 3.36Å; V487-S491 PolarHBondContact O-N 3.4Å; L488-S491 PolarHBondContact O-N 2.95Å; L488-S491 PolarHBondContact O-OG 3.36Å; L489-S491 VanDerWaalsContact C-N 3.31Å; L489-S491 PolarHBondContact O-N 3.5Å
492	K	90.5	Very high	94.8	Very high	131 Å²	131	41.3 Å²	41.3	57%	0.57	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.6	9.1	176.3	-60.9	-58.8	179.4	-174.1	0	112.9	L489 A490 K494 L639	L489-K492 PolarHBondContact O-N 2.88Å; A490-K492 PolarHBondContact O-N 2.81Å; A490-K492 VanDerWaalsContact O-N 3.15Å; K492-K494 PolarHBondContact O-N 2.71Å; K492-L639 HydrophobicContact CB-CD2 4.25Å; K492-L639 HydrophobicContact CD-CD2 4.44Å; K492-L639 HydrophobicContact CG-CD2 3.34Å; K492-L639 HydrophobicContact CG-CG 4.13Å
493	W	94.5	Very high	94.9	Very high	14 Å²	14	44.2 Å²	44.2	5%	0.053	23%	0.226	C	C	.	.			trans	-65.3	132.9	-175.9	-166.5	-99.3	0	0	0	111	L413 D417 H420 L421 L424 L489 A490 V496 Y633 I636	L413-W493 HydrophobicContact CD2-CB 3.76Å; L413-W493 HydrophobicContact CD2-CG 3.67Å; D417-W493 VanDerWaalsContact CB-NE1 3.32Å; D417-W493 PolarHBondContact OD1-NE1 2.66Å; H420-W493 HydrophobicContact CB-CH2 3.73Å; H420-W493 HydrophobicContact CB-CZ2 3.53Å; L421-W493 HydrophobicContact CD1-CD2 4.38Å; L421-W493 HydrophobicContact CD1-CG 4.47Å; L421-W493 HydrophobicContact CD2-CD2 3.92Å; L421-W493 HydrophobicContact CD2-CE3 3.4Å; L421-W493 VanDerWaalsContact CD2-CE3 3.4Å; L421-W493 HydrophobicContact CD2-CH2 4.39Å; L421-W493 HydrophobicContact CD2-CZ3 3.67Å; L421-W493 HydrophobicContact CG-CD2 4Å; L421-W493 HydrophobicContact CG-CE3 3.93Å; L421-W493 HydrophobicContact CG-CH2 4.36Å; L421-W493 HydrophobicContact CG-CZ2 4.47Å; L421-W493 HydrophobicContact CG-CZ3 4.1Å; L424-W493 HydrophobicContact CD1-CH2 3.64Å; L424-W493 HydrophobicContact CD1-CZ3 3.77Å; L489-W493 HydrophobicContact CD1-CE3 4.19Å; L489-W493 HydrophobicContact CD1-CZ3 4.3Å; L489-W493 HydrophobicContact CD2-CE3 4.32Å; L489-W493 HydrophobicContact CD2-CZ3 3.88Å; L489-W493 HydrophobicContact CG-CE3 3.82Å; L489-W493 HydrophobicContact CG-CZ3 3.9Å; L489-W493 PolarHBondContact O-N 3.46Å; A490-W493 VanDerWaalsContact O-CB 3.28Å; A490-W493 WeakPolarHBondContact O-CB 3.33Å; A490-W493 PolarHBondContact O-N 3.4Å; W493-V496 HydrophobicContact CZ2-CG1 3.94Å; W493-Y633 HydrophobicContact CH2-CD1 4.19Å; W493-Y633 AromaticContact CH2-CE1 3.83Å; W493-Y633 HydrophobicContact CH2-CE1 3.83Å; W493-Y633 HydrophobicContact CZ2-CE1 4.34Å; W493-I636 HydrophobicContact CD2-CD1 4.19Å; W493-I636 HydrophobicContact CE3-CD1 3.79Å; W493-I636 HydrophobicContact CH2-CD1 3.79Å; W493-I636 HydrophobicContact CZ2-CD1 4.14Å; W493-I636 HydrophobicContact CZ3-CD1 3.59Å
494	K	94.1	Very high	94.9	Very high	103 Å²	103	44.6 Å²	44.6	45%	0.448	23%	0.229	S	C	.	.			trans	-106.3	131	166.2	-64	-171.4	-168	160.9	0	107.2	K492 G635 I636 E637	K492-K494 PolarHBondContact O-N 2.71Å; K494-G635 VanDerWaalsContact CD-O 3.23Å; K494-G635 WeakPolarHBondContact CD-O 3.08Å; K494-G635 VanDerWaalsContact CE-O 3.24Å; K494-G635 WeakPolarHBondContact CE-O 3.45Å; K494-G635 PolarHBondContact NZ-O 2.87Å; K494-I636 HydrophobicContact CB-CG1 4.5Å; K494-E637 IonicContact NZ-OE1 2.92Å
495	T	95.3	Very high	95.1	Very high	87 Å²	87	45.5 Å²	45.5	53%	0.534	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-56.6	140.7	-175.3	-163.3	0	0	0	0	111.2	D417	D417-T495 VanDerWaalsContact OD1-CA 3.28Å; D417-T495 WeakPolarHBondContact OD1-CA 3.46Å; D417-T495 PolarHBondContact OD1-OG1 2.92Å; D417-T495 WeakPolarHBondContact OD2-CB 3.39Å; D417-T495 PolarHBondContact OD2-OG1 3.04Å
496	V	96.2	Very high	95.3	Very high	10 Å²	10	45.6 Å²	45.6	6%	0.061	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-67.3	155.2	179.7	-64.4	0	0	0	0	111.4	R416 D417 H420 W493 P632	R416-V496 HydrophobicContact CB-CG2 4.09Å; D417-V496 PolarHBondContact OD1-N 3.39Å; H420-V496 HydrophobicContact CB-CG1 4.42Å; W493-V496 HydrophobicContact CZ2-CG1 3.94Å; V496-P632 HydrophobicContact CB-CB 4.37Å; V496-P632 HydrophobicContact CG1-CB 4.13Å
497	P	95.8	Very high	95.3	Very high	31 Å²	31	47.4 Å²	47.4	20%	0.201	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-57	166.2	175.1	-24.1	33.8	0	0	0	113.1	R416 T628 E630	R416-P497 PolarHBondContact NH2-O 3.22Å; P497-T628 HydrophobicContact CB-CG2 4.05Å; P497-T628 HydrophobicContact CG-CG2 4.46Å; P497-E630 HydrophobicContact CB-CB 4.27Å; P497-E630 HydrophobicContact CG-CB 4.02Å
498	A	95.1	Very high	95.4	Very high	60 Å²	60	53 Å²	53	50%	0.496	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-55.7	142.9	177.6	0	0	0	0	0	112.1	Y500	A498-Y500 HydrophobicContact CB-CE2 4.07Å; A498-Y500 WeakPolarHBondContact O-CD2 3.14Å; A498-Y500 WeakPolarHBondContact O-CE2 3.41Å
499	R	94.4	Very high	95.5	Very high	69 Å²	69	57.7 Å²	57.7	26%	0.26	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	138.4	176.4	-165.7	171.1	72.5	109.1	-0.3	111	M336 H626 G627	M336-R499 PolarHBondContact SD-NH1 3.22Å; R499-H626 PolarHBondContact NH1-ND1 3.45Å; R499-G627 WeakPolarHBondContact CA-O 3.46Å
500	Y	96.9	Very high	95.7	Very high	84 Å²	84	61.1 Å²	61.1	33%	0.329	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	160.6	168	-59.5	-81.3	0	0	0	110.3	A498 E532 V535 G627 K629	A498-Y500 HydrophobicContact CB-CE2 4.07Å; A498-Y500 WeakPolarHBondContact O-CD2 3.14Å; A498-Y500 WeakPolarHBondContact O-CE2 3.41Å; Y500-E532 WeakPolarHBondContact CD1-O 3.34Å; Y500-E532 VanDerWaalsContact CE1-O 3.27Å; Y500-E532 WeakPolarHBondContact CE1-O 2.94Å; Y500-V535 WeakPolarHBondContact O-CG2 3.07Å; Y500-G627 PolarHBondContact N-O 2.83Å; Y500-G627 PolarHBondContact O-N 3.32Å; Y500-G627 VanDerWaalsContact O-N 3.12Å; Y500-K629 HydrophobicContact CD2-CB 4.06Å; Y500-K629 HydrophobicContact CE2-CB 4Å
501	H	96.4	Very high	95.8	Very high	102 Å²	102	64.1 Å²	64.1	47%	0.472	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	134.5	171.8	65.9	-83.2	0	0	0	108.9	T533 L625 H626	H501-T533 VanDerWaalsContact O-CB 3.23Å; H501-T533 WeakPolarHBondContact O-CB 3.13Å; H501-L625 CarbonylContact C-O 3.58Å; H501-L625 VanDerWaalsContact CA-O 3.28Å; H501-L625 WeakPolarHBondContact CA-O 3.02Å; H501-H626 WeakPolarHBondContact CB-ND1 3.31Å
502	C	98	Very high	96	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	125.5	178.8	173.5	0	0	0	0	109.4	A504 C528 T533 V535 L625	C502-A504 PolarHBondContact O-N 2.85Å; C502-C528 VanDerWaalsContact CA-SG 3.54Å; C502-C528 HydrophobicContact CB-CB 3.82Å; C502-C528 WeakPolarHBondContact CB-SG 3.42Å; C502-C528 WeakPolarHBondContact SG-CB 3.37Å; C502-C528 PolarHBondContact SG-N 2.9Å; C502-C528 CovalentContact SG-SG 2.04Å; C502-C528 PolarHBondContact SG-SG 2.84Å; C502-T533 WeakPolarHBondContact CB-O 3.41Å; C502-V535 HydrophobicContact CB-CB 4.3Å; C502-V535 HydrophobicContact CB-CG2 4.03Å; C502-L625 HydrophobicContact CB-CB 4.42Å; C502-L625 PolarHBondContact N-O 3.35Å; C502-L625 PolarHBondContact O-N 3.49Å
503	D	97.7	Very high	96.3	Very high	93 Å²	93	62.1 Å²	62.1	50%	0.497	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	99.3	159.3	-175.8	-15.9	0	0	0	107	G505 M624	D503-G505 VanDerWaalsContact C-N 3.25Å; D503-G505 PolarHBondContact O-N 2.97Å; D503-G505 PolarHBondContact OD1-N 2.92Å; D503-M624 HydrophobicContact CB-CE 4.4Å; D503-M624 HydrophobicContact CB-SD 4.01Å
504	A	97	Very high	96.3	Very high	8 Å²	8	63 Å²	63	7%	0.066	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	-8.8	-171.5	0	0	0	0	0	113	C502 T525 L623 L625	C502-A504 PolarHBondContact O-N 2.85Å; A504-T525 HydrophobicContact CB-CG2 3.94Å; A504-T525 WeakPolarHBondContact CB-OG1 3.38Å; A504-T525 VanDerWaalsContact O-CB 3.28Å; A504-T525 WeakPolarHBondContact O-CB 3.39Å; A504-T525 PolarHBondContact O-OG1 3.17Å; A504-T525 VanDerWaalsContact O-OG1 3.14Å; A504-L623 HydrophobicContact CB-CB 4.26Å; A504-L623 HydrophobicContact CB-CD2 3.78Å; A504-L623 HydrophobicContact CB-CG 3.93Å; A504-L623 WeakPolarHBondContact CB-O 3.32Å; A504-L623 PolarHBondContact N-O 3.28Å; A504-L625 HydrophobicContact CB-CD1 3.66Å; A504-L625 HydrophobicContact CB-CG 3.75Å
505	G	97.2	Very high	96.2	Very high	22 Å²	22	59.4 Å²	59.4	23%	0.227	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	142.1	160.8	-179	0	0	0	0	0	112.6	D503 L623	D503-G505 VanDerWaalsContact C-N 3.25Å; D503-G505 PolarHBondContact O-N 2.97Å; D503-G505 PolarHBondContact OD1-N 2.92Å; G505-L623 PolarHBondContact O-N 3.18Å
506	S	97.9	Very high	95.9	Very high	52 Å²	52	58.6 Å²	58.6	36%	0.364	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	140.7	-179.5	-68.7	0	0	0	0	111.8	W621 T622	S506-W621 CarbonylContact C-O 3.52Å; S506-W621 VanDerWaalsContact CA-O 3.29Å; S506-W621 WeakPolarHBondContact CA-O 3.31Å; S506-T622 WeakPolarHBondContact OG-CB 3.47Å; S506-T622 VanDerWaalsContact OG-CG2 3.25Å; S506-T622 WeakPolarHBondContact OG-CG2 3.48Å; S506-T622 PolarHBondContact OG-OG1 2.75Å
507	I	97.5	Very high	95.5	Very high	38 Å²	38	60.7 Å²	60.7	20%	0.195	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	109.3	164.7	-59.6	179.2	0	0	0	106.7	Q511 L521 I523 R620 W621	I507-Q511 HydrophobicContact CG2-CG 4.48Å; I507-L521 HydrophobicContact CD1-CB 3.9Å; I507-L521 HydrophobicContact CD1-CD1 4.47Å; I507-L521 HydrophobicContact CD1-CD2 4.48Å; I507-I523 HydrophobicContact CD1-CG1 4.2Å; I507-I523 HydrophobicContact CG1-CD1 4.33Å; I507-I523 HydrophobicContact CG1-CG1 4.14Å; I507-R620 WeakPolarHBondContact O-CA 3.49Å; I507-W621 HydrophobicContact CD1-CE3 3.89Å; I507-W621 HydrophobicContact CD1-CZ3 4.08Å; I507-W621 HydrophobicContact CG1-CE3 4.48Å; I507-W621 PolarHBondContact N-O 3Å; I507-W621 PolarHBondContact O-N 3.18Å
508	L	96.2	Very high	95.4	Very high	116 Å²	116	61.7 Å²	61.7	61%	0.607	35%	0.347	S	S	*	.			trans	-99.3	-14.1	-176.9	-54.6	-177.3	0	0	0	112.8	R620	L508-R620 HydrophobicContact CD2-CG 3.71Å
509	E	95.5	Very high	95.4	Very high	145 Å²	145	60 Å²	60	68%	0.678	33%	0.33	S	S	*	.	S	Bend	trans	-80.2	131.4	179.2	-66.9	-176.8	179.1	0	0	110.5	Q511	E509-Q511 PolarHBondContact O-N 2.95Å
510	P	96.7	Very high	95.4	Very high	76 Å²	76	59.3 Å²	59.3	49%	0.494	33%	0.333	S	S	.	.			trans	-61.3	126.3	178.4	-25.1	34.6	0	0	0	113.1	W617 I618	P510-W617 HydrophobicContact CB-CE3 4.07Å; P510-I618 CarbonylContact C-O 3.58Å; P510-I618 WeakPolarHBondContact CA-O 3.3Å
511	Q	97.2	Very high	95.4	Very high	64 Å²	64	55.8 Å²	55.8	30%	0.299	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	126.4	178.2	-62.9	-63.5	-35.1	0	0	110.3	I507 E509 I513 L519 L521 W617 I618	I507-Q511 HydrophobicContact CG2-CG 4.48Å; E509-Q511 PolarHBondContact O-N 2.95Å; Q511-I513 PolarHBondContact O-N 2.85Å; Q511-L519 HydrophobicContact CB-CD2 3.96Å; Q511-L521 HydrophobicContact CB-CD2 4.16Å; Q511-L521 HydrophobicContact CG-CD2 3.77Å; Q511-W617 WeakPolarHBondContact O-CA 3.24Å; Q511-I618 PolarHBondContact N-O 3.39Å; Q511-I618 PolarHBondContact O-N 2.98Å
512	R	97.1	Very high	95.5	Very high	130 Å²	130	55.7 Å²	55.7	49%	0.491	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	125.8	-179.5	-172.3	172.9	175.8	-94.5	0.3	110.3	P514 W617	R512-P514 WeakPolarHBondContact O-CD 3.37Å; R512-W617 HydrophobicContact CB-CD2 4.17Å; R512-W617 HydrophobicContact CB-CE3 3.79Å; R512-W617 HydrophobicContact CB-CH2 3.78Å; R512-W617 HydrophobicContact CB-CZ2 4.16Å; R512-W617 HydrophobicContact CB-CZ3 3.6Å; R512-W617 HydrophobicContact CG-CD2 4.42Å; R512-W617 HydrophobicContact CG-CH2 4.2Å; R512-W617 HydrophobicContact CG-CZ2 4.09Å; R512-W617 HydrophobicContact CG-CZ3 4.41Å
513	I	96.7	Very high	95.5	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	121.4	171.6	-53.1	171.7	0	0	0	107.6	Q511 S515 L519 V606 F608 G616 I618	Q511-I513 PolarHBondContact O-N 2.85Å; I513-S515 PolarHBondContact O-N 3.18Å; I513-L519 HydrophobicContact CG1-CD2 4.43Å; I513-V606 HydrophobicContact CD1-CG1 3.71Å; I513-V606 HydrophobicContact CG1-CG1 3.87Å; I513-V606 HydrophobicContact CG2-CG1 4.06Å; I513-F608 HydrophobicContact CB-CD2 4.47Å; I513-F608 HydrophobicContact CB-CE2 3.76Å; I513-F608 HydrophobicContact CB-CZ 4.18Å; I513-F608 HydrophobicContact CD1-CZ 4.29Å; I513-F608 HydrophobicContact CG2-CD2 3.72Å; I513-F608 HydrophobicContact CG2-CE2 3.48Å; I513-F608 VanDerWaalsContact CG2-CE2 3.48Å; I513-F608 HydrophobicContact CG2-CG 4.48Å; I513-F608 HydrophobicContact CG2-CZ 4.06Å; I513-G616 PolarHBondContact N-O 3.05Å; I513-I618 HydrophobicContact CD1-CD1 4.19Å; I513-I618 HydrophobicContact CD1-CG1 4.1Å; I513-I618 HydrophobicContact CG1-CG1 4.01Å
514	P	94.4	Very high	95.5	Very high	34 Å²	34	56.7 Å²	56.7	22%	0.221	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-65.9	135.7	177.8	29.5	-35	0	0	0	109.3	R512 A516 L519	R512-P514 WeakPolarHBondContact O-CD 3.37Å; P514-A516 WeakPolarHBondContact CB-O 3.29Å; P514-A516 PolarHBondContact O-N 3.41Å; P514-A516 VanDerWaalsContact O-N 3.09Å; P514-L519 HydrophobicContact CG-CB 4.35Å
515	S	90.9	Very high	95.5	Very high	26 Å²	26	56.9 Å²	56.9	18%	0.182	33%	0.329	C	S	.	.	S	Bend	trans	-62.5	-17.8	179.6	53.3	0	0	0	0	113.6	I513 R613 Q614	I513-S515 PolarHBondContact O-N 3.18Å; S515-R613 PolarHBondContact OG-NH2 2.74Å; S515-Q614 VanDerWaalsContact CB-O 3.3Å; S515-Q614 WeakPolarHBondContact CB-O 3.36Å
516	A	88.8	Confident	95.5	Very high	71 Å²	71	60.6 Å²	60.6	59%	0.587	34%	0.344	S	S	*	.	S	Bend	trans	-148.4	142.1	172.6	0	0	0	0	0	108.4	P514	P514-A516 WeakPolarHBondContact CB-O 3.29Å; P514-A516 PolarHBondContact O-N 3.41Å; P514-A516 VanDerWaalsContact O-N 3.09Å
517	G	89	Confident	95.5	Very high	54 Å²	54	58.1 Å²	58.1	56%	0.557	33%	0.326	S	S	*	.	S	Bend	trans	96.9	-157.1	-173.7	0	0	0	0	0	112.6	R607	G517-R607 WeakPolarHBondContact O-CB 2.84Å
518	L	92.3	Very high	95.5	Very high	52 Å²	52	57.3 Å²	57.3	27%	0.272	32%	0.324	S	S	.	.			trans	-130.6	129.3	-170.7	-170.1	67.2	0	0	0	110.5	L442 I444 V520 A605 R607	L442-L518 HydrophobicContact CB-CD2 4.16Å; L442-L518 HydrophobicContact CD2-CD1 4.11Å; L442-L518 WeakPolarHBondContact O-CD2 3.3Å; I444-L518 HydrophobicContact CD1-CD2 3.9Å; I444-L518 HydrophobicContact CG1-CD2 3.51Å; L518-V520 HydrophobicContact CD2-CG2 3.68Å; L518-V520 HydrophobicContact CG-CG2 3.86Å; L518-A605 HydrophobicContact CD1-CB 3.81Å; L518-A605 HydrophobicContact CD2-CB 4.15Å; L518-A605 HydrophobicContact CG-CB 4.2Å; L518-R607 HydrophobicContact CD1-CB 3.98Å; L518-R607 HydrophobicContact CD1-CG 4.31Å
519	L	95.4	Very high	95.5	Very high	24 Å²	24	58.9 Å²	58.9	13%	0.126	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	126.9	162.7	172.9	65.4	0	0	0	107.9	Q511 I513 P514 L521 A605 V606 I618	Q511-L519 HydrophobicContact CB-CD2 3.96Å; I513-L519 HydrophobicContact CG1-CD2 4.43Å; P514-L519 HydrophobicContact CG-CB 4.35Å; L519-L521 HydrophobicContact CD1-CD2 3.93Å; L519-L521 HydrophobicContact CD2-CD1 4.47Å; L519-L521 HydrophobicContact CD2-CD2 4.3Å; L519-L521 HydrophobicContact CD2-CG 4.34Å; L519-L521 HydrophobicContact CG-CD2 4.09Å; L519-L521 HydrophobicContact CG-CG 4.17Å; L519-A605 CarbonylContact O-C 3.47Å; L519-A605 WeakPolarHBondContact O-CA 3.36Å; L519-V606 HydrophobicContact CB-CB 4.27Å; L519-V606 HydrophobicContact CD2-CB 4.42Å; L519-V606 PolarHBondContact N-O 3.4Å; L519-V606 PolarHBondContact O-N 2.89Å; L519-I618 HydrophobicContact CD2-CG1 4.27Å
520	V	95.9	Very high	95.5	Very high	54 Å²	54	55.3 Å²	55.3	33%	0.327	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	120.9	174.2	-176.8	0	0	0	0	108.1	I444 L518 E522 R603	I444-V520 HydrophobicContact CD1-CG2 4.45Å; I444-V520 HydrophobicContact CG1-CG2 4.37Å; L518-V520 HydrophobicContact CD2-CG2 3.68Å; L518-V520 HydrophobicContact CG-CG2 3.86Å; V520-E522 HydrophobicContact CG1-CG 4.46Å; V520-R603 HydrophobicContact CG1-CB 4.21Å
521	L	96.8	Very high	95.5	Very high	11 Å²	11	54.8 Å²	54.8	6%	0.058	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	142	174.3	-59.2	-179	0	0	0	108.7	I507 Q511 L519 R603 M604 I618 W621	I507-L521 HydrophobicContact CD1-CB 3.9Å; I507-L521 HydrophobicContact CD1-CD1 4.47Å; I507-L521 HydrophobicContact CD1-CD2 4.48Å; Q511-L521 HydrophobicContact CB-CD2 4.16Å; Q511-L521 HydrophobicContact CG-CD2 3.77Å; L519-L521 HydrophobicContact CD1-CD2 3.93Å; L519-L521 HydrophobicContact CD2-CD1 4.47Å; L519-L521 HydrophobicContact CD2-CD2 4.3Å; L519-L521 HydrophobicContact CD2-CG 4.34Å; L519-L521 HydrophobicContact CG-CD2 4.09Å; L519-L521 HydrophobicContact CG-CG 4.17Å; L521-R603 CarbonylContact O-C 3.6Å; L521-R603 VanDerWaalsContact O-CA 3.24Å; L521-R603 WeakPolarHBondContact O-CA 3.38Å; L521-M604 HydrophobicContact CD1-CE 3.81Å; L521-M604 PolarHBondContact N-O 3.23Å; L521-M604 PolarHBondContact O-N 3.23Å; L521-I618 HydrophobicContact CD1-CB 4.47Å; L521-I618 HydrophobicContact CD1-CG2 4.02Å; L521-W621 HydrophobicContact CB-CE3 3.65Å; L521-W621 HydrophobicContact CB-CZ3 3.44Å; L521-W621 VanDerWaalsContact CB-CZ3 3.44Å; L521-W621 HydrophobicContact CD1-CE3 4.03Å
522	E	97	Very high	95.3	Very high	99 Å²	99	60.4 Å²	60.4	46%	0.463	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	135	-177.8	-54	-162.5	141.7	0	0	111.6	V520 T601 W602 R603	V520-E522 HydrophobicContact CG1-CG 4.46Å; E522-T601 HydrophobicContact CB-CG2 4.11Å; E522-W602 WeakPolarHBondContact CA-O 3.12Å; E522-R603 HydrophobicContact CG-CG 4.08Å; E522-R603 IonicContact OE1-CZ 3.44Å; E522-R603 IonicContact OE1-NE 2.71Å; E522-R603 PolarHBondContact OE1-NE 2.64Å; E522-R603 IonicContact OE1-NH2 3.34Å; E522-R603 PolarHBondContact OE1-NH2 3.41Å
523	I	98	Very high	95.3	Very high	12 Å²	12	56.7 Å²	56.7	6%	0.062	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	117.2	170.3	-67.6	174.2	0	0	0	107.2	I507 W602 W621 L623	I507-I523 HydrophobicContact CD1-CG1 4.2Å; I507-I523 HydrophobicContact CG1-CD1 4.33Å; I507-I523 HydrophobicContact CG1-CG1 4.14Å; I523-W602 PolarHBondContact N-O 3.48Å; I523-W602 PolarHBondContact O-N 2.99Å; I523-W621 HydrophobicContact CB-CH2 4.33Å; I523-W621 HydrophobicContact CD1-CD2 3.88Å; I523-W621 HydrophobicContact CD1-CE3 3.81Å; I523-W621 HydrophobicContact CD1-CH2 3.85Å; I523-W621 HydrophobicContact CD1-CZ2 3.92Å; I523-W621 HydrophobicContact CD1-CZ3 3.79Å; I523-W621 HydrophobicContact CG1-CE3 4.23Å; I523-W621 HydrophobicContact CG1-CH2 3.94Å; I523-W621 HydrophobicContact CG1-CZ2 4.47Å; I523-W621 HydrophobicContact CG1-CZ3 3.79Å; I523-L623 HydrophobicContact CB-CD2 4.43Å; I523-L623 HydrophobicContact CD1-CB 3.95Å; I523-L623 HydrophobicContact CG2-CD2 4.15Å
524	T	98.1	Very high	95.4	Very high	102 Å²	102	57.5 Å²	57.5	63%	0.626	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.7	123.4	172.3	-61.7	0	0	0	0	109.2	T601	T524-T601 PolarHBondContact OG1-OG1 3.44Å
525	T	97.8	Very high	95.5	Very high	13 Å²	13	55.9 Å²	55.9	8%	0.08	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	144.6	-176.3	-169.6	0	0	0	0	111.2	A504 A527 A599 G600 L625	A504-T525 HydrophobicContact CB-CG2 3.94Å; A504-T525 WeakPolarHBondContact CB-OG1 3.38Å; A504-T525 VanDerWaalsContact O-CB 3.28Å; A504-T525 WeakPolarHBondContact O-CB 3.39Å; A504-T525 PolarHBondContact O-OG1 3.17Å; A504-T525 VanDerWaalsContact O-OG1 3.14Å; T525-A527 PolarHBondContact OG1-N 2.88Å; T525-A599 WeakPolarHBondContact O-CA 3.33Å; T525-G600 PolarHBondContact N-O 3.17Å; T525-G600 PolarHBondContact O-N 3.4Å; T525-L625 HydrophobicContact CG2-CD1 4.08Å
526	N	97.1	Very high	95.8	Very high	100 Å²	100	55.6 Å²	55.6	54%	0.535	33%	0.331	S	S	.	.			trans	-89.7	7.9	165.6	68.2	-1.1	0	0	0	111.9	C528 K529	N526-C528 PolarHBondContact O-N 3.12Å; N526-C528 PolarHBondContact OD1-N 2.97Å; N526-C528 VanDerWaalsContact OD1-N 3.14Å; N526-K529 HydrophobicContact CB-CB 4.35Å; N526-K529 WeakPolarHBondContact O-CB 3.28Å; N526-K529 PolarHBondContact O-N 3.03Å
527	A	96.5	Very high	96.2	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	43.2	-177.9	0	0	0	0	0	114.4	T525 K529 V535 S598 A599 L625	T525-A527 PolarHBondContact OG1-N 2.88Å; A527-K529 PolarHBondContact O-N 3.33Å; A527-V535 WeakPolarHBondContact CB-O 3.18Å; A527-V535 PolarHBondContact O-N 2.81Å; A527-S598 WeakPolarHBondContact CB-OG 3.25Å; A527-A599 HydrophobicContact CB-CB 4.21Å; A527-L625 HydrophobicContact CB-CD1 4.28Å
528	C	97.9	Very high	96.7	Very high	21 Å²	21	50.2 Å²	50.2	14%	0.142	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	32	178.8	-58.3	0	0	0	0	112.8	C502 N526 G530 T531 E534	C502-C528 VanDerWaalsContact CA-SG 3.54Å; C502-C528 HydrophobicContact CB-CB 3.82Å; C502-C528 WeakPolarHBondContact CB-SG 3.42Å; C502-C528 WeakPolarHBondContact SG-CB 3.37Å; C502-C528 PolarHBondContact SG-N 2.9Å; C502-C528 CovalentContact SG-SG 2.04Å; C502-C528 PolarHBondContact SG-SG 2.84Å; N526-C528 PolarHBondContact O-N 3.12Å; N526-C528 PolarHBondContact OD1-N 2.97Å; N526-C528 VanDerWaalsContact OD1-N 3.14Å; C528-G530 PolarHBondContact O-N 3.4Å; C528-T531 WeakPolarHBondContact CB-OG1 3.43Å; C528-T531 PolarHBondContact O-N 3.35Å; C528-T531 VanDerWaalsContact O-N 3.13Å; C528-T531 PolarHBondContact O-OG1 2.81Å; C528-E534 WeakPolarHBondContact O-CA 3.36Å; C528-E534 WeakPolarHBondContact O-CB 3.29Å
529	K	96.7	Very high	97	Very high	149 Å²	149	47.8 Å²	47.8	65%	0.648	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	129.3	-178.2	-174.2	175.9	-176.3	178.4	0	112	N526 A527 T531	N526-K529 HydrophobicContact CB-CB 4.35Å; N526-K529 WeakPolarHBondContact O-CB 3.28Å; N526-K529 PolarHBondContact O-N 3.03Å; A527-K529 PolarHBondContact O-N 3.33Å; K529-T531 VanDerWaalsContact C-N 3.34Å
530	G	95.3	Very high	97.1	Very high	69 Å²	69	46.9 Å²	46.9	71%	0.711	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	84	1.5	177.8	0	0	0	0	0	115	C528 E534	C528-G530 PolarHBondContact O-N 3.4Å; G530-E534 PolarHBondContact N-OE2 3.26Å; G530-E534 VanDerWaalsContact N-OE2 3.09Å
531	T	96.5	Very high	97.2	Very high	66 Å²	66	44.3 Å²	44.3	41%	0.405	25%	0.246	S	C	.	.	S	Bend	trans	-102.4	173	172.3	76	0	0	0	0	111.2	C528 K529 T533 E534	C528-T531 WeakPolarHBondContact CB-OG1 3.43Å; C528-T531 PolarHBondContact O-N 3.35Å; C528-T531 VanDerWaalsContact O-N 3.13Å; C528-T531 PolarHBondContact O-OG1 2.81Å; K529-T531 VanDerWaalsContact C-N 3.34Å; T531-T533 PolarHBondContact O-N 2.89Å; T531-T533 PolarHBondContact OG1-N 3Å; T531-T533 VanDerWaalsContact OG1-N 3.16Å; T531-T533 PolarHBondContact OG1-OG1 2.95Å; T531-E534 WeakPolarHBondContact O-CB 3.38Å; T531-E534 PolarHBondContact O-N 3.45Å
532	E	94.3	Very high	97.3	Very high	181 Å²	181	44.8 Å²	44.8	85%	0.846	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-10.8	172.5	-62	-178.6	172.9	0	0	113.3	Y500	Y500-E532 WeakPolarHBondContact CD1-O 3.34Å; Y500-E532 VanDerWaalsContact CE1-O 3.27Å; Y500-E532 WeakPolarHBondContact CE1-O 2.94Å
533	T	96.4	Very high	97.3	Very high	53 Å²	53	40 Å²	40	33%	0.325	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	12.8	-179	49.9	0	0	0	0	112.9	H501 C502 T531 V535	H501-T533 VanDerWaalsContact O-CB 3.23Å; H501-T533 WeakPolarHBondContact O-CB 3.13Å; C502-T533 WeakPolarHBondContact CB-O 3.41Å; T531-T533 PolarHBondContact O-N 2.89Å; T531-T533 PolarHBondContact OG1-N 3Å; T531-T533 VanDerWaalsContact OG1-N 3.16Å; T531-T533 PolarHBondContact OG1-OG1 2.95Å; T533-V535 PolarHBondContact O-N 3.27Å
534	E	97.7	Very high	97.3	Very high	17 Å²	17	40.4 Å²	40.4	8%	0.079	23%	0.228	C	C	.	.			trans	-58.3	122.5	179.6	-177.9	177	164.7	0	0	112	C528 G530 T531 N536 K629	C528-E534 WeakPolarHBondContact O-CA 3.36Å; C528-E534 WeakPolarHBondContact O-CB 3.29Å; G530-E534 PolarHBondContact N-OE2 3.26Å; G530-E534 VanDerWaalsContact N-OE2 3.09Å; T531-E534 WeakPolarHBondContact O-CB 3.38Å; T531-E534 PolarHBondContact O-N 3.45Å; E534-N536 PolarHBondContact OE1-ND2 3.28Å; E534-K629 HydrophobicContact CB-CD 4.28Å; E534-K629 HydrophobicContact CG-CD 4.39Å; E534-K629 HydrophobicContact CG-CG 4.22Å; E534-K629 WeakPolarHBondContact OE2-CE 3.35Å; E534-K629 IonicContact OE2-NZ 2.9Å; E534-K629 PolarHBondContact OE2-NZ 3.25Å
535	V	98	Very high	97.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.199	C	C	.	.			trans	-118.4	125.4	174.5	176	0	0	0	0	107.6	Y500 C502 A527 T533 L538 S598 L625	Y500-V535 WeakPolarHBondContact O-CG2 3.07Å; C502-V535 HydrophobicContact CB-CB 4.3Å; C502-V535 HydrophobicContact CB-CG2 4.03Å; A527-V535 WeakPolarHBondContact CB-O 3.18Å; A527-V535 PolarHBondContact O-N 2.81Å; T533-V535 PolarHBondContact O-N 3.27Å; V535-L538 HydrophobicContact CG1-CD2 4.36Å; V535-S598 WeakPolarHBondContact O-CB 3.42Å; V535-S598 PolarHBondContact O-OG 2.93Å; V535-L625 HydrophobicContact CG1-CB 4.44Å
536	N	96.9	Very high	97.3	Very high	19 Å²	19	35.7 Å²	35.7	10%	0.102	20%	0.2	C	C	.	.			trans	-117.4	-34.8	-172.3	-93.3	-32	0	0	0	112.4	E534 R597 S598 T628 K629	E534-N536 PolarHBondContact OE1-ND2 3.28Å; N536-R597 VanDerWaalsContact CB-NH1 3.28Å; N536-R597 WeakPolarHBondContact O-CA 3.29Å; N536-R597 VanDerWaalsContact O-CZ 3.29Å; N536-R597 PolarHBondContact O-NE 3.18Å; N536-R597 PolarHBondContact O-NH1 3.2Å; N536-R597 PolarHBondContact OD1-NH2 2.74Å; N536-S598 WeakPolarHBondContact CA-OG 3.47Å; N536-S598 PolarHBondContact O-N 3.46Å; N536-S598 PolarHBondContact O-OG 2.82Å; N536-T628 WeakPolarHBondContact CA-O 3.46Å; N536-T628 WeakPolarHBondContact CB-O 3.18Å; N536-T628 PolarHBondContact N-O 3.05Å; N536-K629 WeakPolarHBondContact CB-O 3.44Å; N536-K629 PolarHBondContact ND2-O 2.91Å
537	Y	97.5	Very high	97.3	Very high	11 Å²	11	31 Å²	31	4%	0.043	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	122.9	178.8	-55.8	-86.8	0	0	0	109	E596 R597 G627 T628 E630 P631 H654	Y537-E596 WeakPolarHBondContact CA-O 3.36Å; Y537-R597 VanDerWaalsContact CE2-NH1 3.32Å; Y537-R597 PolarHBondContact OH-NH1 3.19Å; Y537-G627 CarbonylContact O-C 3.52Å; Y537-G627 VanDerWaalsContact O-CA 3.29Å; Y537-G627 WeakPolarHBondContact O-CA 3.13Å; Y537-T628 PolarHBondContact N-O 3.33Å; Y537-T628 PolarHBondContact O-N 2.88Å; Y537-E630 VanDerWaalsContact CD2-C 3.48Å; Y537-E630 VanDerWaalsContact CD2-O 3.31Å; Y537-E630 WeakPolarHBondContact CD2-O 3.12Å; Y537-E630 VanDerWaalsContact CE2-C 3.43Å; Y537-P631 HydrophobicContact CE1-CB 4.3Å; Y537-P631 VanDerWaalsContact CE2-CA 3.48Å; Y537-P631 HydrophobicContact CE2-CB 3.99Å; Y537-P631 HydrophobicContact CE2-CG 3.92Å; Y537-P631 WeakPolarHBondContact OH-CG 3.39Å; Y537-H654 AromaticContact CD1-CD2 3.68Å; Y537-H654 AromaticContact CD1-CE1 3.67Å; Y537-H654 AromaticContact CD1-NE2 3.43Å; Y537-H654 WeakPolarHBondContact CD1-NE2 3.27Å; Y537-H654 HydrophobicContact CE1-CB 4.21Å; Y537-H654 AromaticContact CE1-CD2 3.63Å; Y537-H654 AromaticContact CE1-CG 3.73Å; Y537-H654 AromaticContact CE1-NE2 3.88Å
538	L	98.4	Very high	97.3	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	148.1	-170.9	-63.6	171.4	0	0	0	113	V535 V541 G595 E596 W602 L625	V535-L538 HydrophobicContact CG1-CD2 4.36Å; L538-V541 HydrophobicContact CD1-CG2 4.03Å; L538-V541 HydrophobicContact CD2-CG2 3.9Å; L538-V541 HydrophobicContact CG-CG2 4.4Å; L538-G595 PolarHBondContact O-N 3.46Å; L538-E596 HydrophobicContact CD1-CB 4.09Å; L538-E596 WeakPolarHBondContact CG-O 3.35Å; L538-E596 PolarHBondContact N-O 2.95Å; L538-W602 HydrophobicContact CD1-CH2 3.69Å; L538-W602 HydrophobicContact CD1-CZ2 3.54Å; L538-L625 HydrophobicContact CD2-CB 4.08Å; L538-L625 HydrophobicContact CD2-CD2 4.13Å; L538-L625 HydrophobicContact CD2-CG 4.48Å
539	E	98.3	Very high	97.2	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	-53.2	164.6	-67.6	161.8	-167.5	0	0	109.5	R416 H420 W594 H626	R416-E539 IonicContact CZ-OE1 3.57Å; R416-E539 IonicContact CZ-OE2 3.97Å; R416-E539 IonicContact NH1-OE1 3.61Å; R416-E539 PolarHBondContact NH1-OE1 2.64Å; R416-E539 IonicContact NH1-OE2 3.56Å; R416-E539 PolarHBondContact NH1-OE2 3.34Å; R416-E539 IonicContact NH2-OE1 2.72Å; R416-E539 PolarHBondContact NH2-OE1 2.7Å; R416-E539 IonicContact NH2-OE2 3.4Å; H420-E539 IonicContact CE1-OE1 2.57Å; H420-E539 IonicContact NE2-OE1 3.58Å; H420-E539 PolarHBondContact NE2-OE1 3.37Å; H420-E539 VanDerWaalsContact NE2-OE1 3.13Å; E539-W594 HydrophobicContact CB-CD2 4.48Å; E539-W594 HydrophobicContact CB-CE3 4.23Å; E539-W594 HydrophobicContact CB-CH2 3.88Å; E539-W594 HydrophobicContact CB-CZ2 4.18Å; E539-W594 HydrophobicContact CB-CZ3 3.92Å; E539-W594 HydrophobicContact CG-CH2 4.11Å; E539-W594 HydrophobicContact CG-CZ2 3.95Å; E539-W594 WeakPolarHBondContact O-CZ3 3.16Å; E539-H626 PolarHBondContact N-O 3.38Å
540	H	98.2	Very high	97.1	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.019	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	139.2	179	-50.2	83.4	0	0	0	110.2	M336 Q419 M589 W594 H626	M336-H540 HydrophobicContact CB-CB 4.18Å; Q419-H540 PolarHBondContact OE1-CE1 3.21Å; Q419-H540 PolarHBondContact OE1-NE2 3.42Å; H540-M589 HydrophobicContact CB-CG 4.43Å; H540-M589 HydrophobicContact CB-SD 4.1Å; H540-W594 AromaticContact CE1-CZ3 3.86Å; H540-W594 AromaticContact NE2-CZ3 3.87Å; H540-H626 HydrophobicContact CB-CB 4.14Å; H540-H626 PolarHBondContact N-O 3.15Å; H540-H626 WeakPolarHBondContact O-CA 3.32Å; H540-H626 WeakPolarHBondContact O-CB 3.33Å; H540-H626 PolarHBondContact O-N 3.2Å
541	V	98.5	Very high	97.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	131.1	172.5	178.6	0	0	0	0	108.6	L538 L559 M589 T590 T593 W602 L623 L625	L538-V541 HydrophobicContact CD1-CG2 4.03Å; L538-V541 HydrophobicContact CD2-CG2 3.9Å; L538-V541 HydrophobicContact CG-CG2 4.4Å; V541-L559 HydrophobicContact CB-CD2 4.38Å; V541-L559 HydrophobicContact CG1-CD2 3.48Å; V541-L559 VanDerWaalsContact CG1-CD2 3.48Å; V541-M589 CarbonylContact O-C 3.54Å; V541-M589 WeakPolarHBondContact O-CA 3.19Å; V541-T590 HydrophobicContact CB-CG2 3.97Å; V541-T590 PolarHBondContact N-O 2.93Å; V541-T590 PolarHBondContact O-N 3.35Å; V541-T593 WeakPolarHBondContact CG2-OG1 3.49Å; V541-W602 HydrophobicContact CB-CH2 4.43Å; V541-W602 HydrophobicContact CG1-CE3 4.49Å; V541-W602 HydrophobicContact CG1-CH2 4.12Å; V541-W602 HydrophobicContact CG1-CZ3 3.97Å; V541-W602 HydrophobicContact CG2-CH2 3.73Å; V541-W602 HydrophobicContact CG2-CZ2 4.29Å; V541-W602 HydrophobicContact CG2-CZ3 4.34Å; V541-L623 HydrophobicContact CG1-CD1 3.76Å; V541-L625 HydrophobicContact CB-CD2 4.44Å; V541-L625 HydrophobicContact CG1-CD2 3.81Å; V541-L625 HydrophobicContact CG2-CD2 3.93Å
542	Q	98.2	Very high	97.1	Very high	21 Å²	21	26 Å²	26	10%	0.098	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	132.4	175.9	-61.8	177.3	-55.2	0	0	111.1	F588 M589 M624 H626	Q542-F588 CarbonylContact C-O 3.49Å; Q542-F588 WeakPolarHBondContact CA-O 3.4Å; Q542-M589 HydrophobicContact CG-CB 4.14Å; Q542-M589 HydrophobicContact CG-CG 4.02Å; Q542-M624 HydrophobicContact CB-CB 4.2Å; Q542-M624 PolarHBondContact N-O 3.4Å; Q542-M624 PolarHBondContact O-N 3.11Å; Q542-H626 PolarHBondContact OE1-NE2 3.14Å
543	A	98.1	Very high	97.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	101.3	164.2	0	0	0	0	0	107.8	V545 I569 F588	A543-V545 HydrophobicContact CB-CG2 4.21Å; A543-V545 PolarHBondContact O-N 2.87Å; A543-I569 HydrophobicContact CB-CD1 3.7Å; A543-F588 PolarHBondContact N-O 2.82Å; A543-F588 PolarHBondContact O-N 3.07Å; A543-F588 VanDerWaalsContact O-N 3.11Å
544	V	98.1	Very high	97.1	Very high	20 Å²	20	15.1 Å²	15.1	12%	0.121	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	106.7	176.7	-174.3	0	0	0	0	108.2	N585 W586 P587 W621 T622 M624	V544-N585 HydrophobicContact CG1-CB 4.32Å; V544-W586 WeakPolarHBondContact CA-O 3.09Å; V544-P587 HydrophobicContact CG2-CB 4.16Å; V544-W621 WeakPolarHBondContact O-CA 2.93Å; V544-T622 PolarHBondContact N-O 3.41Å; V544-T622 PolarHBondContact O-N 3.46Å; V544-M624 HydrophobicContact CG2-CG 4.04Å
545	V	98	Very high	97	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	136	-170.3	179.9	0	0	0	0	111.3	A543 L547 L557 N585 W586 F588 M604 I618 R620	A543-V545 HydrophobicContact CB-CG2 4.21Å; A543-V545 PolarHBondContact O-N 2.87Å; V545-L547 HydrophobicContact CG1-CB 4.08Å; V545-L547 HydrophobicContact CG1-CD2 3.8Å; V545-L547 HydrophobicContact CG1-CG 4.35Å; V545-L557 HydrophobicContact CG2-CD1 4.5Å; V545-N585 PolarHBondContact O-N 2.88Å; V545-W586 PolarHBondContact N-O 2.73Å; V545-W586 PolarHBondContact O-N 3.46Å; V545-F588 HydrophobicContact CB-CD2 4.19Å; V545-F588 HydrophobicContact CB-CE2 4.19Å; V545-F588 HydrophobicContact CG2-CD2 4.22Å; V545-M604 HydrophobicContact CG2-CE 4.33Å; V545-M604 HydrophobicContact CG2-SD 3.86Å; V545-I618 HydrophobicContact CG1-CD1 4.06Å; V545-R620 WeakPolarHBondContact CA-O 3.24Å
546	S	97.9	Very high	96.8	Very high	15 Å²	15	14.3 Å²	14.3	11%	0.105	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	120.8	161.1	-58.2	0	0	0	0	108.9	F583 N585 N619 R620	S546-F583 CarbonylContact C-O 3.58Å; S546-F583 WeakPolarHBondContact CA-O 3.38Å; S546-N585 PolarHBondContact OG-N 3.34Å; S546-N585 PolarHBondContact OG-OD1 2.78Å; S546-N619 WeakPolarHBondContact O-CA 3.39Å; S546-N619 WeakPolarHBondContact O-CB 3.27Å; S546-N619 PolarHBondContact O-N 3.36Å; S546-R620 PolarHBondContact N-O 3.03Å; S546-R620 PolarHBondContact O-N 3.49Å; S546-R620 VanDerWaalsContact O-N 3.08Å
547	L	96.9	Very high	96.8	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.01	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	148.3	-179.2	76.6	86.2	0	0	0	110.8	V545 V555 L557 G582 F583 W617 I618	V545-L547 HydrophobicContact CG1-CB 4.08Å; V545-L547 HydrophobicContact CG1-CD2 3.8Å; V545-L547 HydrophobicContact CG1-CG 4.35Å; L547-V555 HydrophobicContact CD1-CG2 4.18Å; L547-V555 HydrophobicContact CD2-CG1 4.12Å; L547-L557 HydrophobicContact CD2-CD1 4.29Å; L547-G582 CarbonylContact O-C 3.57Å; L547-G582 VanDerWaalsContact O-CA 3.32Å; L547-G582 WeakPolarHBondContact O-CA 3.46Å; L547-F583 HydrophobicContact CD1-CD2 3.99Å; L547-F583 HydrophobicContact CD2-CD2 3.76Å; L547-F583 HydrophobicContact CG-CB 4.14Å; L547-F583 HydrophobicContact CG-CD2 3.8Å; L547-F583 HydrophobicContact CG-CG 4.47Å; L547-F583 PolarHBondContact N-O 3.37Å; L547-F583 PolarHBondContact O-N 2.96Å; L547-F583 VanDerWaalsContact O-O 3.13Å; L547-W617 WeakPolarHBondContact CA-O 3.09Å; L547-W617 WeakPolarHBondContact CB-O 3.39Å; L547-I618 HydrophobicContact CB-CD1 3.78Å; L547-I618 HydrophobicContact CD2-CD1 3.97Å
548	N	95.8	Very high	96.7	Very high	68 Å²	68	13.4 Å²	13.4	36%	0.364	7%	0.071	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	144.8	169.3	60.9	-39.8	0	0	0	109.4	G616 W617 N619	N548-G616 CarbonylContact O-C 3.5Å; N548-G616 WeakPolarHBondContact O-CA 3.43Å; N548-W617 PolarHBondContact N-O 3.48Å; N548-W617 VanDerWaalsContact N-O 3.08Å; N548-W617 PolarHBondContact O-N 2.97Å; N548-W617 WeakPolarHBondContact OD1-CB 3.48Å; N548-W617 PolarHBondContact OD1-O 3.11Å; N548-N619 PolarHBondContact OD1-ND2 2.98Å; N548-N619 PolarHBondContact OD1-OD1 3.31Å
549	S	95.5	Very high	96.7	Very high	8 Å²	8	13.4 Å²	13.4	6%	0.056	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	149.7	-176.5	177	0	0	0	0	109.7	R551 F608 T615	S549-R551 PolarHBondContact O-N 3.43Å; S549-R551 PolarHBondContact OG-N 3.32Å; S549-R551 PolarHBondContact OG-O 3.03Å; S549-F608 VanDerWaalsContact OG-CE1 3.23Å; S549-F608 WeakPolarHBondContact OG-CE1 3.29Å; S549-T615 CarbonylContact C-O 3.02Å; S549-T615 WeakPolarHBondContact CA-O 3.36Å
550	S	95.2	Very high	96.6	Very high	45 Å²	45	13.5 Å²	13.5	32%	0.315	7%	0.071	S	C	.	.	S	Bend	trans	-61	-22.2	167.1	56	0	0	0	0	112.4	S579 Q614 T615	S550-S579 VanDerWaalsContact O-CB 3.25Å; S550-S579 WeakPolarHBondContact O-CB 3.05Å; S550-Q614 WeakPolarHBondContact OG-CA 3.39Å; S550-Q614 WeakPolarHBondContact OG-CB 3.2Å; S550-Q614 PolarHBondContact OG-OE1 2.61Å; S550-T615 PolarHBondContact N-O 3.2Å; S550-T615 PolarHBondContact OG-N 2.87Å; S550-T615 PolarHBondContact OG-O 3.14Å
551	R	95.2	Very high	96.5	Very high	58 Å²	58	13.5 Å²	13.5	22%	0.219	7%	0.072	C	C	.	.			trans	-151.8	108.1	170.6	-166.5	170.2	-167.6	-117.4	-0.3	110.2	S549 G553 D554 P574 D578 Q614	S549-R551 PolarHBondContact O-N 3.43Å; S549-R551 PolarHBondContact OG-N 3.32Å; S549-R551 PolarHBondContact OG-O 3.03Å; R551-G553 PolarHBondContact O-N 3.17Å; R551-D554 HydrophobicContact CB-CB 4.47Å; R551-D554 WeakPolarHBondContact CD-OD2 3.41Å; R551-D554 IonicContact CZ-OD1 3.55Å; R551-D554 IonicContact NH1-OD1 3.46Å; R551-D554 PolarHBondContact NH1-OD1 3.39Å; R551-D554 IonicContact NH1-OD2 2.71Å; R551-D554 PolarHBondContact O-N 3.06Å; R551-P574 PolarHBondContact NH2-O 3.23Å; R551-D578 CarbonylContact C-O 3.55Å; R551-D578 WeakPolarHBondContact CA-O 3.35Å; R551-Q614 HydrophobicContact CB-CG 4.25Å
552	R	96	Very high	96.3	Very high	21 Å²	21	15.7 Å²	15.7	8%	0.079	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-61.8	-42.2	-176.7	-173.3	177.7	66.4	-174.8	-7.8	112.2	K286 D554 V555 D576 D578 G582 F583	K286-R552 PolarHBondContact O-NH2 2.93Å; R552-D554 PolarHBondContact O-N 2.88Å; R552-D554 VanDerWaalsContact O-N 3.15Å; R552-V555 WeakPolarHBondContact O-CB 3.24Å; R552-V555 PolarHBondContact O-N 2.66Å; R552-D576 IonicContact CZ-OD1 2.71Å; R552-D576 IonicContact CZ-OD2 3.12Å; R552-D576 IonicContact NE-OD1 3.18Å; R552-D576 PolarHBondContact NE-OD1 2.92Å; R552-D576 IonicContact NE-OD2 2.79Å; R552-D576 PolarHBondContact NE-OD2 3.08Å; R552-D576 VanDerWaalsContact NH2-CG 3.3Å; R552-D576 IonicContact NH2-OD1 3.67Å; R552-D576 PolarHBondContact NH2-OD1 2.73Å; R552-D576 IonicContact NH2-OD2 3.87Å; R552-D576 PolarHBondContact NH2-OD2 3.41Å; R552-D576 VanDerWaalsContact NH2-OD2 3.15Å; R552-D578 HydrophobicContact CB-CB 4.06Å; R552-D578 IonicContact CZ-OD2 2.9Å; R552-D578 PolarHBondContact N-O 2.87Å; R552-D578 IonicContact NE-OD2 2.82Å; R552-D578 IonicContact NH1-OD2 3.13Å; R552-G582 VanDerWaalsContact CD-C 3.42Å; R552-G582 WeakPolarHBondContact CD-O 3.42Å; R552-G582 PolarHBondContact NH1-O 3.16Å; R552-G582 VanDerWaalsContact NH1-O 3.15Å; R552-F583 VanDerWaalsContact CD-CE2 3.5Å; R552-F583 HydrophobicContact CG-CD2 3.83Å; R552-F583 HydrophobicContact CG-CE2 3.36Å; R552-F583 HydrophobicContact CG-CZ 4.01Å
553	G	95.1	Very high	96.1	Very high	2 Å²	2	17.9 Å²	17.9	2%	0.021	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-64.6	-16.5	-178.7	0	0	0	0	0	116.5	R551 R572 R573 D576	R551-G553 PolarHBondContact O-N 3.17Å; G553-R572 WeakPolarHBondContact O-CG 3.4Å; G553-R573 VanDerWaalsContact CA-O 3.26Å; G553-R573 WeakPolarHBondContact CA-O 3.37Å; G553-R573 PolarHBondContact O-N 3.11Å; G553-D576 WeakPolarHBondContact CA-O 3.33Å; G553-D576 PolarHBondContact N-O 3.06Å; G553-D576 VanDerWaalsContact N-O 3.14Å; G553-D576 PolarHBondContact N-OD2 3.48Å
554	D	95.1	Very high	95.9	Very high	3 Å²	3	19.2 Å²	19.2	2%	0.016	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-88.4	-7.2	174.9	-75.8	-6.7	0	0	0	112.1	R551 R552 R572 F608 Q609 Q614	R551-D554 HydrophobicContact CB-CB 4.47Å; R551-D554 WeakPolarHBondContact CD-OD2 3.41Å; R551-D554 IonicContact CZ-OD1 3.55Å; R551-D554 IonicContact NH1-OD1 3.46Å; R551-D554 PolarHBondContact NH1-OD1 3.39Å; R551-D554 IonicContact NH1-OD2 2.71Å; R551-D554 PolarHBondContact O-N 3.06Å; R552-D554 PolarHBondContact O-N 2.88Å; R552-D554 VanDerWaalsContact O-N 3.15Å; D554-R572 IonicContact OD1-NE 3.96Å; D554-R572 IonicContact OD1-NH2 3.77Å; D554-F608 HydrophobicContact CB-CD1 4.18Å; D554-F608 CarbonylContact O-C 3.54Å; D554-F608 VanDerWaalsContact O-CA 3.25Å; D554-F608 WeakPolarHBondContact O-CA 3.38Å; D554-Q609 PolarHBondContact O-N 3.05Å; D554-Q614 HydrophobicContact CB-CG 4Å; D554-Q614 WeakPolarHBondContact OD2-CG 3.44Å; D554-Q614 PolarHBondContact OD2-NE2 2.64Å
555	V	95.9	Very high	95.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	130.8	176.3	-176.6	0	0	0	0	109.1	L547 R552 L557 L570 V606 F608	L547-V555 HydrophobicContact CD1-CG2 4.18Å; L547-V555 HydrophobicContact CD2-CG1 4.12Å; R552-V555 WeakPolarHBondContact O-CB 3.24Å; R552-V555 PolarHBondContact O-N 2.66Å; V555-L557 HydrophobicContact CG1-CD2 4.11Å; V555-L557 HydrophobicContact CG1-CG 4.4Å; V555-L570 HydrophobicContact CG1-CD2 4.49Å; V555-L570 WeakPolarHBondContact O-CD2 3.35Å; V555-V606 HydrophobicContact CG1-CG1 4.21Å; V555-F608 HydrophobicContact CG2-CD1 4.07Å; V555-F608 HydrophobicContact CG2-CE1 3.53Å; V555-F608 HydrophobicContact CG2-CZ 4.41Å
556	T	95.2	Very high	95.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	144	169.8	60.4	0	0	0	0	110	L570 R572 R607 Q609	T556-L570 CarbonylContact C-O 3.52Å; T556-L570 WeakPolarHBondContact CA-O 3.4Å; T556-L570 WeakPolarHBondContact CB-O 3.23Å; T556-R572 HydrophobicContact CG2-CB 3.9Å; T556-R607 PolarHBondContact N-O 2.88Å; T556-R607 PolarHBondContact O-N 2.86Å; T556-R607 WeakPolarHBondContact OG1-CG 3.41Å; T556-R607 PolarHBondContact OG1-O 3.4Å; T556-Q609 HydrophobicContact CG2-CB 4.03Å
557	L	96.5	Very high	95.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	134.1	-176.3	-57.4	175.2	0	0	0	109.9	V545 L547 V555 I569 L570 F588 V606 I618	V545-L557 HydrophobicContact CG2-CD1 4.5Å; L547-L557 HydrophobicContact CD2-CD1 4.29Å; V555-L557 HydrophobicContact CG1-CD2 4.11Å; V555-L557 HydrophobicContact CG1-CG 4.4Å; L557-I569 HydrophobicContact CB-CD1 4.01Å; L557-I569 HydrophobicContact CB-CG1 3.61Å; L557-I569 WeakPolarHBondContact O-CG1 3.22Å; L557-I569 PolarHBondContact O-N 2.76Å; L557-L570 HydrophobicContact CB-CB 3.83Å; L557-L570 HydrophobicContact CD1-CB 4Å; L557-L570 HydrophobicContact CD1-CD2 3.99Å; L557-L570 HydrophobicContact CG-CB 3.91Å; L557-L570 HydrophobicContact CG-CD2 4.05Å; L557-L570 PolarHBondContact N-O 3.39Å; L557-L570 PolarHBondContact O-N 3.48Å; L557-F588 HydrophobicContact CD1-CD2 3.84Å; L557-F588 HydrophobicContact CD1-CE2 3.56Å; L557-F588 HydrophobicContact CD1-CZ 4.08Å; L557-V606 HydrophobicContact CD2-CB 4.04Å; L557-V606 HydrophobicContact CD2-CG1 3.7Å; L557-V606 HydrophobicContact CD2-CG2 3.54Å; L557-I618 HydrophobicContact CD2-CD1 4.32Å
558	Y	95.9	Very high	95.2	Very high	12 Å²	12	19.5 Å²	19.5	5%	0.047	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	134	174.8	-59.6	-105.7	0	0	0	108.7	L442 S567 M568 M604 A605	L442-Y558 HydrophobicContact CD1-CD1 3.76Å; L442-Y558 HydrophobicContact CD1-CD2 4.13Å; L442-Y558 HydrophobicContact CD1-CE1 4.35Å; L442-Y558 HydrophobicContact CD1-CG 3.62Å; L442-Y558 HydrophobicContact CD2-CD1 4.37Å; L442-Y558 HydrophobicContact CD2-CD2 3.74Å; L442-Y558 HydrophobicContact CD2-CE1 4.32Å; L442-Y558 HydrophobicContact CD2-CE2 3.75Å; L442-Y558 HydrophobicContact CD2-CG 4.09Å; L442-Y558 HydrophobicContact CG-CD1 4.4Å; L442-Y558 HydrophobicContact CG-CG 4.39Å; Y558-S567 CarbonylContact C-O 3.58Å; Y558-S567 WeakPolarHBondContact CA-O 3.49Å; Y558-M568 HydrophobicContact CD1-CB 3.81Å; Y558-M568 HydrophobicContact CD1-CG 4.13Å; Y558-M568 HydrophobicContact CE1-CB 3.72Å; Y558-M568 HydrophobicContact CE1-CE 3.71Å; Y558-M568 HydrophobicContact CE1-CG 3.76Å; Y558-M568 HydrophobicContact CE1-SD 4.46Å; Y558-M568 WeakPolarHBondContact OH-CE 3.46Å; Y558-M604 CarbonylContact O-C 3.47Å; Y558-M604 WeakPolarHBondContact O-CA 3.21Å; Y558-A605 PolarHBondContact N-O 3.04Å; Y558-A605 PolarHBondContact O-N 2.99Å
559	L	96.7	Very high	95.3	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.01	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	129.7	171.8	-170.8	67.1	0	0	0	108.9	V541 S567 I569 T590 W602 W621 L623	V541-L559 HydrophobicContact CB-CD2 4.38Å; V541-L559 HydrophobicContact CG1-CD2 3.48Å; V541-L559 VanDerWaalsContact CG1-CD2 3.48Å; L559-S567 PolarHBondContact N-O 3.18Å; L559-S567 PolarHBondContact O-N 2.69Å; L559-I569 HydrophobicContact CB-CD1 4.19Å; L559-I569 HydrophobicContact CB-CG2 4.03Å; L559-T590 HydrophobicContact CD2-CG2 4Å; L559-W602 HydrophobicContact CD1-CE3 4.1Å; L559-W602 HydrophobicContact CD2-CE3 4.1Å; L559-W602 HydrophobicContact CD2-CZ3 3.95Å; L559-W602 HydrophobicContact CG-CE3 3.93Å; L559-W602 HydrophobicContact CG-CZ3 4.07Å; L559-W621 HydrophobicContact CD1-CZ2 3.93Å; L559-L623 HydrophobicContact CD1-CD1 4.45Å; L559-L623 HydrophobicContact CD2-CD1 4.49Å
560	I	96.1	Very high	95.3	Very high	3 Å²	3	16.1 Å²	16.1	2%	0.015	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	126.2	179.7	-54.3	89.3	0	0	0	109	I444 I447 T565 Q566 R603 A605	I444-I560 HydrophobicContact CD1-CD1 4.06Å; I447-I560 HydrophobicContact CD1-CB 4.34Å; I447-I560 HydrophobicContact CD1-CG1 4.12Å; I447-I560 HydrophobicContact CD1-CG2 3.72Å; I560-T565 VanDerWaalsContact CA-O 3.32Å; I560-T565 WeakPolarHBondContact CA-O 3.45Å; I560-Q566 HydrophobicContact CG1-CG 3.96Å; I560-Q566 HydrophobicContact CG2-CG 4.33Å; I560-R603 HydrophobicContact CB-CB 4.23Å; I560-R603 HydrophobicContact CD1-CB 4.16Å; I560-R603 WeakPolarHBondContact CD1-O 3.49Å; I560-R603 PolarHBondContact N-O 3.31Å; I560-R603 PolarHBondContact O-N 3.03Å; I560-A605 HydrophobicContact CD1-CB 4.05Å
561	S	96.5	Very high	95.2	Very high	4 Å²	4	14.5 Å²	14.5	3%	0.028	9%	0.086	C	C	.	.			trans	-76.6	162.7	176.5	84.2	0	0	0	0	112.8	S563 G564 T565 E596	S561-S563 PolarHBondContact O-N 3.01Å; S561-S563 VanDerWaalsContact O-N 3.17Å; S561-S563 PolarHBondContact OG-N 2.99Å; S561-G564 WeakPolarHBondContact O-CA 3.48Å; S561-G564 PolarHBondContact O-N 2.76Å; S561-G564 PolarHBondContact OG-N 3.4Å; S561-T565 PolarHBondContact N-O 2.89Å; S561-T565 WeakPolarHBondContact OG-CB 3.23Å; S561-T565 PolarHBondContact OG-N 2.68Å; S561-E596 WeakPolarHBondContact CB-OE2 3.37Å; S561-E596 PolarHBondContact OG-OE2 3.03Å
562	P	95.6	Very high	95.1	Very high	46 Å²	46	14.5 Å²	14.5	30%	0.299	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-26.7	173.2	-26.1	35	0	0	0	114	G564 W602	P562-G564 VanDerWaalsContact C-N 3.26Å; P562-W602 HydrophobicContact CG-CD2 4.46Å; P562-W602 HydrophobicContact CG-CG 4.36Å
563	S	93.5	Very high	95	Very high	66 Å²	66	13.6 Å²	13.6	46%	0.462	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-0.9	174.9	-60.6	0	0	0	0	113.7	S561	S561-S563 PolarHBondContact O-N 3.01Å; S561-S563 VanDerWaalsContact O-N 3.17Å; S561-S563 PolarHBondContact OG-N 2.99Å
564	G	93.1	Very high	94.9	Very high	28 Å²	28	15 Å²	15	29%	0.289	9%	0.091	S	C	.	.			trans	90.6	6.4	177.2	0	0	0	0	0	114.9	S561 P562 Q566	S561-G564 WeakPolarHBondContact O-CA 3.48Å; S561-G564 PolarHBondContact O-N 2.76Å; S561-G564 PolarHBondContact OG-N 3.4Å; P562-G564 VanDerWaalsContact C-N 3.26Å; G564-Q566 PolarHBondContact O-N 3.08Å
565	T	94.5	Very high	94.9	Very high	5 Å²	5	19.2 Å²	19.2	3%	0.031	11%	0.11	C	C	.	.			trans	-69.4	121.6	178.7	-61.8	0	0	0	0	110.3	N466 G467 F472 I560 S561 H592 T593 E596	N466-T565 WeakPolarHBondContact CA-OG1 3.31Å; N466-T565 HydrophobicContact CB-CG2 3.98Å; G467-T565 PolarHBondContact N-OG1 2.8Å; F472-T565 HydrophobicContact CE1-CG2 3.71Å; F472-T565 HydrophobicContact CZ-CG2 3.73Å; I560-T565 VanDerWaalsContact CA-O 3.32Å; I560-T565 WeakPolarHBondContact CA-O 3.45Å; S561-T565 PolarHBondContact N-O 2.89Å; S561-T565 WeakPolarHBondContact OG-CB 3.23Å; S561-T565 PolarHBondContact OG-N 2.68Å; T565-H592 HydrophobicContact CG2-CB 4.37Å; T565-T593 HydrophobicContact CG2-CG2 4.03Å; T565-E596 VanDerWaalsContact CB-OE1 3.25Å; T565-E596 WeakPolarHBondContact CB-OE1 3.47Å; T565-E596 PolarHBondContact OG1-OE1 3.37Å
566	Q	93.4	Very high	94.8	Very high	23 Å²	23	19.3 Å²	19.3	11%	0.107	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	121.8	-178	-65.8	177.1	67	0	0	110.9	I447 K448 H450 I560 G564	I447-Q566 VanDerWaalsContact CG2-CD 3.47Å; I447-Q566 HydrophobicContact CG2-CG 3.99Å; K448-Q566 PolarHBondContact O-NE2 3.19Å; H450-Q566 PolarHBondContact CD2-NE2 2.6Å; H450-Q566 PolarHBondContact NE2-NE2 2.97Å; I560-Q566 HydrophobicContact CG1-CG 3.96Å; I560-Q566 HydrophobicContact CG2-CG 4.33Å; G564-Q566 PolarHBondContact O-N 3.08Å
567	S	94.9	Very high	94.7	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.007	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	111.1	175.6	-174	0	0	0	0	110.3	S358 Y558 L559 I569 T590 H592	S358-S567 VanDerWaalsContact CB-OG 3.24Å; S358-S567 WeakPolarHBondContact CB-OG 3.4Å; Y558-S567 CarbonylContact C-O 3.58Å; Y558-S567 WeakPolarHBondContact CA-O 3.49Å; L559-S567 PolarHBondContact N-O 3.18Å; L559-S567 PolarHBondContact O-N 2.69Å; S567-I569 PolarHBondContact O-N 2.8Å; S567-I569 VanDerWaalsContact O-N 3.14Å; S567-T590 WeakPolarHBondContact CB-OG1 3.27Å; S567-T590 WeakPolarHBondContact OG-CB 3.25Å; S567-T590 PolarHBondContact OG-OG1 3.44Å; S567-H592 PolarHBondContact OG-ND1 2.71Å
568	M	94.4	Very high	94.5	Very high	15 Å²	15	25 Å²	25	7%	0.074	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	111.7	160.9	-168.2	-172.2	-51.6	0	0	108.6	S358 M439 F461 H474 Y558 S571	S358-M568 WeakPolarHBondContact CB-O 3.49Å; M439-M568 HydrophobicContact CG-CE 4.21Å; M439-M568 HydrophobicContact SD-CE 4.3Å; F461-M568 HydrophobicContact CE1-CE 4.09Å; F461-M568 HydrophobicContact CZ-CE 4.48Å; H474-M568 PolarHBondContact NE2-N 3.36Å; H474-M568 VanDerWaalsContact NE2-N 3.19Å; H474-M568 PolarHBondContact NE2-O 3.36Å; Y558-M568 HydrophobicContact CD1-CB 3.81Å; Y558-M568 HydrophobicContact CD1-CG 4.13Å; Y558-M568 HydrophobicContact CE1-CB 3.72Å; Y558-M568 HydrophobicContact CE1-CE 3.71Å; Y558-M568 HydrophobicContact CE1-CG 3.76Å; Y558-M568 HydrophobicContact CE1-SD 4.46Å; Y558-M568 WeakPolarHBondContact OH-CE 3.46Å; M568-S571 WeakPolarHBondContact SD-CB 3.14Å
569	I	96.5	Very high	94.3	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	-16	-179.1	58.7	168.6	0	0	0	112.5	N328 A543 L557 L559 S567 F588 T590	N328-I569 WeakPolarHBondContact CB-O 3.33Å; N328-I569 PolarHBondContact ND2-O 3.45Å; A543-I569 HydrophobicContact CB-CD1 3.7Å; L557-I569 HydrophobicContact CB-CD1 4.01Å; L557-I569 HydrophobicContact CB-CG1 3.61Å; L557-I569 WeakPolarHBondContact O-CG1 3.22Å; L557-I569 PolarHBondContact O-N 2.76Å; L559-I569 HydrophobicContact CB-CD1 4.19Å; L559-I569 HydrophobicContact CB-CG2 4.03Å; S567-I569 PolarHBondContact O-N 2.8Å; S567-I569 VanDerWaalsContact O-N 3.14Å; I569-F588 HydrophobicContact CB-CB 4.19Å; I569-F588 HydrophobicContact CD1-CB 3.91Å; I569-F588 HydrophobicContact CD1-CG 4.47Å; I569-F588 HydrophobicContact CG1-CB 4.36Å; I569-F588 WeakPolarHBondContact O-CD1 3.22Å; I569-T590 HydrophobicContact CG2-CG2 4.35Å
570	L	96	Very high	93.9	Very high	3 Å²	3	35 Å²	35	2%	0.016	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	114.5	166.7	176.7	64.6	0	0	0	108.2	V555 T556 L557 F583 F588	V555-L570 HydrophobicContact CG1-CD2 4.49Å; V555-L570 WeakPolarHBondContact O-CD2 3.35Å; T556-L570 CarbonylContact C-O 3.52Å; T556-L570 WeakPolarHBondContact CA-O 3.4Å; T556-L570 WeakPolarHBondContact CB-O 3.23Å; L557-L570 HydrophobicContact CB-CB 3.83Å; L557-L570 HydrophobicContact CD1-CB 4Å; L557-L570 HydrophobicContact CD1-CD2 3.99Å; L557-L570 HydrophobicContact CG-CB 3.91Å; L557-L570 HydrophobicContact CG-CD2 4.05Å; L557-L570 PolarHBondContact N-O 3.39Å; L557-L570 PolarHBondContact O-N 3.48Å; L570-F583 HydrophobicContact CD1-CZ 4.14Å; L570-F583 HydrophobicContact CD2-CE2 3.61Å; L570-F583 HydrophobicContact CD2-CZ 3.97Å; L570-F588 HydrophobicContact CB-CD1 4.38Å; L570-F588 HydrophobicContact CB-CE1 3.95Å; L570-F588 HydrophobicContact CB-CZ 4.27Å; L570-F588 HydrophobicContact CD1-CE1 3.93Å; L570-F588 HydrophobicContact CD1-CZ 4.33Å; L570-F588 HydrophobicContact CD2-CE1 4.29Å; L570-F588 HydrophobicContact CD2-CZ 3.93Å; L570-F588 HydrophobicContact CG-CE1 4.27Å; L570-F588 HydrophobicContact CG-CZ 4.41Å
571	S	93.4	Very high	93.5	Very high	12 Å²	12	40.7 Å²	40.7	8%	0.084	23%	0.225	C	C	.	.			trans	-83.2	167.8	171.3	66.3	0	0	0	0	111.6	D326 M568 R573	D326-S571 WeakPolarHBondContact CB-OG 3.45Å; D326-S571 WeakPolarHBondContact OD2-CB 3.32Å; D326-S571 PolarHBondContact OD2-N 3.33Å; D326-S571 PolarHBondContact OD2-OG 2.8Å; M568-S571 WeakPolarHBondContact SD-CB 3.14Å; S571-R573 PolarHBondContact O-N 2.85Å
572	R	93.1	Very high	93.2	Very high	57 Å²	57	40.7 Å²	40.7	22%	0.215	23%	0.226	C	C	.	.			trans	-71.1	132.4	178.6	-180	-173.8	180	-121.2	-4.1	108.9	G553 D554 T556 P574 Q609	G553-R572 WeakPolarHBondContact O-CG 3.4Å; D554-R572 IonicContact OD1-NE 3.96Å; D554-R572 IonicContact OD1-NH2 3.77Å; T556-R572 HydrophobicContact CG2-CB 3.9Å; R572-P574 HydrophobicContact CG-CG 4.33Å; R572-P574 WeakPolarHBondContact O-CD 3.48Å; R572-Q609 HydrophobicContact CB-CB 4.46Å; R572-Q609 VanDerWaalsContact CD-O 3.24Å; R572-Q609 WeakPolarHBondContact CD-O 3.47Å; R572-Q609 HydrophobicContact CG-CB 4.48Å; R572-Q609 PolarHBondContact NE-O 3.47Å
573	R	94.5	Very high	93.3	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.008	21%	0.213	C	C	.	.			trans	-118	87.7	178.7	-70.7	172.8	46.4	-140	-17.3	110	G285 K286 V288 D324 D325 D326 C329 G553 S571 K575 D576	G285-R573 VanDerWaalsContact C-NH2 3.34Å; G285-R573 PolarHBondContact O-NE 3.48Å; G285-R573 PolarHBondContact O-NH2 3.41Å; K286-R573 PolarHBondContact O-NH2 3.37Å; V288-R573 VanDerWaalsContact CG2-NH1 3.28Å; D324-R573 WeakPolarHBondContact O-CA 3.14Å; D325-R573 IonicContact OD1-NE 3.99Å; D326-R573 HydrophobicContact CB-CG 4.27Å; C329-R573 PolarHBondContact SG-NH1 2.84Å; G553-R573 VanDerWaalsContact CA-O 3.26Å; G553-R573 WeakPolarHBondContact CA-O 3.37Å; G553-R573 PolarHBondContact O-N 3.11Å; S571-R573 PolarHBondContact O-N 2.85Å; R573-K575 PolarHBondContact O-N 2.81Å; R573-D576 HydrophobicContact CB-CB 4.01Å; R573-D576 IonicContact CZ-OD2 2.76Å; R573-D576 IonicContact NH1-OD2 3.75Å; R573-D576 IonicContact NH2-OD2 3.66Å; R573-D576 PolarHBondContact NH2-OD2 2.9Å; R573-D576 WeakPolarHBondContact O-CB 3.38Å; R573-D576 PolarHBondContact O-N 3.49Å
574	P	92.9	Very high	93.3	Very high	31 Å²	31	40.7 Å²	40.7	20%	0.201	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-17.8	-167.5	-22.7	35.4	0	0	0	114.6	D324 R551 R572	D324-P574 WeakPolarHBondContact OD1-CG 3.15Å; R551-P574 PolarHBondContact NH2-O 3.23Å; R572-P574 HydrophobicContact CG-CG 4.33Å; R572-P574 WeakPolarHBondContact O-CD 3.48Å
575	K	93.6	Very high	93.5	Very high	93 Å²	93	43.2 Å²	43.2	40%	0.404	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-22.1	176.9	-65.8	172.7	-172.5	151.9	0	112	D284 K286 D324 R573 D577	D284-K575 WeakPolarHBondContact O-CD 3.41Å; K286-K575 WeakPolarHBondContact CD-O 3.49Å; K286-K575 WeakPolarHBondContact CE-O 3.38Å; K286-K575 HydrophobicContact CG-CB 4Å; K286-K575 WeakPolarHBondContact CG-O 3.3Å; K286-K575 PolarHBondContact NZ-O 2.92Å; D324-K575 HydrophobicContact CB-CD 4.25Å; D324-K575 WeakPolarHBondContact OD2-CE 3.38Å; D324-K575 IonicContact OD2-NZ 3.97Å; D324-K575 PolarHBondContact OD2-NZ 3Å; R573-K575 PolarHBondContact O-N 2.81Å; K575-D577 PolarHBondContact O-N 2.83Å; K575-D577 VanDerWaalsContact O-N 3.11Å
576	D	95.1	Very high	93.6	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.011	23%	0.234	C	C	.	.			trans	-77.5	96.5	-178.1	-173.6	16.5	0	0	0	111.7	G285 R552 G553 R573 D578	G285-D576 WeakPolarHBondContact O-CB 3.24Å; G285-D576 PolarHBondContact O-N 3.25Å; R552-D576 IonicContact CZ-OD1 2.71Å; R552-D576 IonicContact CZ-OD2 3.12Å; R552-D576 IonicContact NE-OD1 3.18Å; R552-D576 PolarHBondContact NE-OD1 2.92Å; R552-D576 IonicContact NE-OD2 2.79Å; R552-D576 PolarHBondContact NE-OD2 3.08Å; R552-D576 VanDerWaalsContact NH2-CG 3.3Å; R552-D576 IonicContact NH2-OD1 3.67Å; R552-D576 PolarHBondContact NH2-OD1 2.73Å; R552-D576 IonicContact NH2-OD2 3.87Å; R552-D576 PolarHBondContact NH2-OD2 3.41Å; R552-D576 VanDerWaalsContact NH2-OD2 3.15Å; G553-D576 WeakPolarHBondContact CA-O 3.33Å; G553-D576 PolarHBondContact N-O 3.06Å; G553-D576 VanDerWaalsContact N-O 3.14Å; G553-D576 PolarHBondContact N-OD2 3.48Å; R573-D576 HydrophobicContact CB-CB 4.01Å; R573-D576 IonicContact CZ-OD2 2.76Å; R573-D576 IonicContact NH1-OD2 3.75Å; R573-D576 IonicContact NH2-OD2 3.66Å; R573-D576 PolarHBondContact NH2-OD2 2.9Å; R573-D576 WeakPolarHBondContact O-CB 3.38Å; R573-D576 PolarHBondContact O-N 3.49Å; D576-D578 WeakPolarHBondContact OD1-CB 3.16Å; D576-D578 PolarHBondContact OD1-N 3.27Å
577	D	93.2	Very high	93.7	Very high	95 Å²	95	45.9 Å²	45.9	51%	0.508	24%	0.243	S	C	.	.			trans	-97.1	14	177.7	57.1	-18.3	0	0	0	113.2	K286 K575 S579	K286-D577 IonicContact NZ-OD1 2.6Å; K286-D577 PolarHBondContact NZ-OD1 3.03Å; K286-D577 IonicContact NZ-OD2 3.47Å; K286-D577 PolarHBondContact NZ-OD2 3.28Å; K575-D577 PolarHBondContact O-N 2.83Å; K575-D577 VanDerWaalsContact O-N 3.11Å; D577-S579 PolarHBondContact O-N 3.16Å
578	D	92.7	Very high	93.9	Very high	25 Å²	25	45.9 Å²	45.9	13%	0.134	24%	0.243	C	C	.	.			trans	-57.5	130.3	175.2	174.4	52.7	0	0	0	111.1	R551 R552 D576 Q580 D581 G582	R551-D578 CarbonylContact C-O 3.55Å; R551-D578 WeakPolarHBondContact CA-O 3.35Å; R552-D578 HydrophobicContact CB-CB 4.06Å; R552-D578 IonicContact CZ-OD2 2.9Å; R552-D578 PolarHBondContact N-O 2.87Å; R552-D578 IonicContact NE-OD2 2.82Å; R552-D578 IonicContact NH1-OD2 3.13Å; D576-D578 WeakPolarHBondContact OD1-CB 3.16Å; D576-D578 PolarHBondContact OD1-N 3.27Å; D578-Q580 PolarHBondContact OD1-N 3.37Å; D578-Q580 VanDerWaalsContact OD1-N 3.1Å; D578-D581 PolarHBondContact OD1-N 2.93Å; D578-D581 VanDerWaalsContact OD1-N 3.11Å; D578-D581 PolarHBondContact OD2-N 3.29Å; D578-G582 WeakPolarHBondContact OD2-CA 3.39Å; D578-G582 PolarHBondContact OD2-N 3.4Å
579	S	90.9	Very high	94	Very high	63 Å²	63	45.3 Å²	45.3	44%	0.441	24%	0.24	S	C	.	.			trans	-129.1	4.1	-178.7	54.9	0	0	0	0	112.3	S550 D577	S550-S579 VanDerWaalsContact O-CB 3.25Å; S550-S579 WeakPolarHBondContact O-CB 3.05Å; D577-S579 PolarHBondContact O-N 3.16Å
580	Q	88.1	Confident	94.1	Very high	161 Å²	161	45.3 Å²	45.3	75%	0.752	24%	0.24	S	C	*	.	S	Bend	trans	-118.9	-52.5	-170.6	-59.7	-63.5	-25.8	0	0	111.3	D578	D578-Q580 PolarHBondContact OD1-N 3.37Å; D578-Q580 VanDerWaalsContact OD1-N 3.1Å
581	D	87	Confident	94.2	Very high	121 Å²	121	45.2 Å²	45.2	65%	0.647	24%	0.24	S	C	*	.			trans	-86.2	-39.7	-168.5	-67.7	-33.3	0	0	0	112.2	D578	D578-D581 PolarHBondContact OD1-N 2.93Å; D578-D581 VanDerWaalsContact OD1-N 3.11Å; D578-D581 PolarHBondContact OD2-N 3.29Å
582	G	91.8	Very high	94.4	Very high	5 Å²	5	44.7 Å²	44.7	5%	0.052	24%	0.236	C	C	.	.			trans	61.3	-138	-172.5	0	0	0	0	0	111.9	L547 R552 D578	L547-G582 CarbonylContact O-C 3.57Å; L547-G582 VanDerWaalsContact O-CA 3.32Å; L547-G582 WeakPolarHBondContact O-CA 3.46Å; R552-G582 VanDerWaalsContact CD-C 3.42Å; R552-G582 WeakPolarHBondContact CD-O 3.42Å; R552-G582 PolarHBondContact NH1-O 3.16Å; R552-G582 VanDerWaalsContact NH1-O 3.15Å; D578-G582 WeakPolarHBondContact OD2-CA 3.39Å; D578-G582 PolarHBondContact OD2-N 3.4Å
583	F	96.2	Very high	94.7	Very high	5 Å²	5	42 Å²	42	2%	0.022	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	135.7	165.5	-66.3	-85.2	0	0	0	108.7	V288 S546 L547 R552 L570 W586 F588	V288-F583 HydrophobicContact CB-CE1 4.4Å; V288-F583 HydrophobicContact CG1-CD1 4.08Å; V288-F583 HydrophobicContact CG1-CE1 3.8Å; V288-F583 HydrophobicContact CG2-CE1 3.71Å; V288-F583 HydrophobicContact CG2-CZ 4.22Å; S546-F583 CarbonylContact C-O 3.58Å; S546-F583 WeakPolarHBondContact CA-O 3.38Å; L547-F583 HydrophobicContact CD1-CD2 3.99Å; L547-F583 HydrophobicContact CD2-CD2 3.76Å; L547-F583 HydrophobicContact CG-CB 4.14Å; L547-F583 HydrophobicContact CG-CD2 3.8Å; L547-F583 HydrophobicContact CG-CG 4.47Å; L547-F583 PolarHBondContact N-O 3.37Å; L547-F583 PolarHBondContact O-N 2.96Å; L547-F583 VanDerWaalsContact O-O 3.13Å; R552-F583 VanDerWaalsContact CD-CE2 3.5Å; R552-F583 HydrophobicContact CG-CD2 3.83Å; R552-F583 HydrophobicContact CG-CE2 3.36Å; R552-F583 HydrophobicContact CG-CZ 4.01Å; L570-F583 HydrophobicContact CD1-CZ 4.14Å; L570-F583 HydrophobicContact CD2-CE2 3.61Å; L570-F583 HydrophobicContact CD2-CZ 3.97Å; F583-W586 HydrophobicContact CB-CB 3.94Å; F583-W586 HydrophobicContact CD1-CB 3.8Å; F583-W586 HydrophobicContact CD1-CD2 4.33Å; F583-W586 AromaticContact CD1-CG 3.75Å; F583-W586 HydrophobicContact CD1-CG 3.75Å; F583-W586 HydrophobicContact CE1-CG 4.35Å; F583-W586 HydrophobicContact CG-CB 4.28Å; F583-F588 HydrophobicContact CD1-CE2 4.29Å; F583-F588 AromaticContact CD1-CZ 3.71Å; F583-F588 HydrophobicContact CD1-CZ 3.71Å; F583-F588 HydrophobicContact CD2-CE2 4.47Å; F583-F588 HydrophobicContact CD2-CZ 4.05Å; F583-F588 HydrophobicContact CE1-CE1 4.13Å; F583-F588 AromaticContact CE1-CZ 3.57Å; F583-F588 HydrophobicContact CE1-CZ 3.57Å; F583-F588 AromaticContact CE2-CZ 3.92Å; F583-F588 HydrophobicContact CE2-CZ 3.92Å; F583-F588 HydrophobicContact CG-CE2 4.24Å; F583-F588 AromaticContact CG-CZ 3.94Å; F583-F588 HydrophobicContact CG-CZ 3.94Å; F583-F588 HydrophobicContact CZ-CE1 4.27Å; F583-F588 AromaticContact CZ-CZ 3.69Å; F583-F588 HydrophobicContact CZ-CZ 3.69Å
584	T	95	Very high	94.8	Very high	106 Å²	106	42 Å²	42	65%	0.65	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.6	110	176.6	-65	0	0	0	0	109.1	W586	T584-W586 PolarHBondContact O-N 2.88Å
585	N	95.4	Very high	95	Very high	82 Å²	82	40.6 Å²	40.6	44%	0.439	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	52	36.3	-179	-54.7	-30.1	0	0	0	113	V544 V545 S546 R620	V544-N585 HydrophobicContact CG1-CB 4.32Å; V545-N585 PolarHBondContact O-N 2.88Å; S546-N585 PolarHBondContact OG-N 3.34Å; S546-N585 PolarHBondContact OG-OD1 2.78Å; N585-R620 VanDerWaalsContact OD1-CZ 3.24Å; N585-R620 PolarHBondContact OD1-NE 2.92Å; N585-R620 PolarHBondContact OD1-NH2 3.48Å
586	W	97.3	Very high	95.2	Very high	38 Å²	38	36.2 Å²	36.2	14%	0.144	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	124.4	-176.4	-170.4	-97.6	0	0	0	110.4	V288 D289 N328 C329 V544 V545 F583 T584 F588	V288-W586 HydrophobicContact CG1-CD2 3.79Å; V288-W586 HydrophobicContact CG1-CE3 3.67Å; V288-W586 HydrophobicContact CG1-CH2 3.65Å; V288-W586 HydrophobicContact CG1-CZ2 3.78Å; V288-W586 HydrophobicContact CG1-CZ3 3.6Å; D289-W586 WeakPolarHBondContact O-CH2 3.32Å; N328-W586 PolarHBondContact O-NE1 2.87Å; C329-W586 WeakPolarHBondContact O-CZ2 3.39Å; V544-W586 WeakPolarHBondContact CA-O 3.09Å; V545-W586 PolarHBondContact N-O 2.73Å; V545-W586 PolarHBondContact O-N 3.46Å; F583-W586 HydrophobicContact CB-CB 3.94Å; F583-W586 HydrophobicContact CD1-CB 3.8Å; F583-W586 HydrophobicContact CD1-CD2 4.33Å; F583-W586 AromaticContact CD1-CG 3.75Å; F583-W586 HydrophobicContact CD1-CG 3.75Å; F583-W586 HydrophobicContact CE1-CG 4.35Å; F583-W586 HydrophobicContact CG-CB 4.28Å; T584-W586 PolarHBondContact O-N 2.88Å; W586-F588 HydrophobicContact CB-CE2 4.33Å; W586-F588 AromaticContact CD1-CD1 3.65Å; W586-F588 AromaticContact CD1-CD2 3.85Å; W586-F588 AromaticContact CD1-CE1 3.45Å; W586-F588 VanDerWaalsContact CD1-CE1 3.45Å; W586-F588 AromaticContact CD1-CE2 3.68Å; W586-F588 AromaticContact CD1-CG 3.83Å; W586-F588 AromaticContact CD1-CZ 3.48Å; W586-F588 VanDerWaalsContact CD1-CZ 3.48Å; W586-F588 HydrophobicContact CG-CE2 4.37Å; W586-F588 HydrophobicContact CG-CZ 4.32Å; W586-F588 AromaticContact NE1-CD1 3.93Å; W586-F588 AromaticContact NE1-CE1 3.78Å; W586-F588 PolarHBondContact O-N 2.99Å
587	P	96.6	Very high	95.3	Very high	45 Å²	45	40 Å²	40	29%	0.292	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	73	-172.7	37.2	-35.9	0	0	0	111.9	V544 M589	V544-P587 HydrophobicContact CG2-CB 4.16Å; P587-M589 PolarHBondContact O-N 2.68Å
588	F	98.1	Very high	95.4	Very high	1 Å²	1	35.4 Å²	35.4	0%	0.004	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	128	174.6	-66.8	-74.5	0	0	0	110.6	N328 Q542 A543 V545 L557 I569 L570 F583 W586	N328-F588 HydrophobicContact CB-CD1 4.12Å; Q542-F588 CarbonylContact C-O 3.49Å; Q542-F588 WeakPolarHBondContact CA-O 3.4Å; A543-F588 PolarHBondContact N-O 2.82Å; A543-F588 PolarHBondContact O-N 3.07Å; A543-F588 VanDerWaalsContact O-N 3.11Å; V545-F588 HydrophobicContact CB-CD2 4.19Å; V545-F588 HydrophobicContact CB-CE2 4.19Å; V545-F588 HydrophobicContact CG2-CD2 4.22Å; L557-F588 HydrophobicContact CD1-CD2 3.84Å; L557-F588 HydrophobicContact CD1-CE2 3.56Å; L557-F588 HydrophobicContact CD1-CZ 4.08Å; I569-F588 HydrophobicContact CB-CB 4.19Å; I569-F588 HydrophobicContact CD1-CB 3.91Å; I569-F588 HydrophobicContact CD1-CG 4.47Å; I569-F588 HydrophobicContact CG1-CB 4.36Å; I569-F588 WeakPolarHBondContact O-CD1 3.22Å; L570-F588 HydrophobicContact CB-CD1 4.38Å; L570-F588 HydrophobicContact CB-CE1 3.95Å; L570-F588 HydrophobicContact CB-CZ 4.27Å; L570-F588 HydrophobicContact CD1-CE1 3.93Å; L570-F588 HydrophobicContact CD1-CZ 4.33Å; L570-F588 HydrophobicContact CD2-CE1 4.29Å; L570-F588 HydrophobicContact CD2-CZ 3.93Å; L570-F588 HydrophobicContact CG-CE1 4.27Å; L570-F588 HydrophobicContact CG-CZ 4.41Å; F583-F588 HydrophobicContact CD1-CE2 4.29Å; F583-F588 AromaticContact CD1-CZ 3.71Å; F583-F588 HydrophobicContact CD1-CZ 3.71Å; F583-F588 HydrophobicContact CD2-CE2 4.47Å; F583-F588 HydrophobicContact CD2-CZ 4.05Å; F583-F588 HydrophobicContact CE1-CE1 4.13Å; F583-F588 AromaticContact CE1-CZ 3.57Å; F583-F588 HydrophobicContact CE1-CZ 3.57Å; F583-F588 AromaticContact CE2-CZ 3.92Å; F583-F588 HydrophobicContact CE2-CZ 3.92Å; F583-F588 HydrophobicContact CG-CE2 4.24Å; F583-F588 AromaticContact CG-CZ 3.94Å; F583-F588 HydrophobicContact CG-CZ 3.94Å; F583-F588 HydrophobicContact CZ-CE1 4.27Å; F583-F588 AromaticContact CZ-CZ 3.69Å; F583-F588 HydrophobicContact CZ-CZ 3.69Å; W586-F588 HydrophobicContact CB-CE2 4.33Å; W586-F588 AromaticContact CD1-CD1 3.65Å; W586-F588 AromaticContact CD1-CD2 3.85Å; W586-F588 AromaticContact CD1-CE1 3.45Å; W586-F588 VanDerWaalsContact CD1-CE1 3.45Å; W586-F588 AromaticContact CD1-CE2 3.68Å; W586-F588 AromaticContact CD1-CG 3.83Å; W586-F588 AromaticContact CD1-CZ 3.48Å; W586-F588 VanDerWaalsContact CD1-CZ 3.48Å; W586-F588 HydrophobicContact CG-CE2 4.37Å; W586-F588 HydrophobicContact CG-CZ 4.32Å; W586-F588 AromaticContact NE1-CD1 3.93Å; W586-F588 AromaticContact NE1-CE1 3.78Å; W586-F588 PolarHBondContact O-N 2.99Å
589	M	97.6	Very high	95.6	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.015	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	147.6	-174.4	-169.9	180	70.5	0	0	112.4	N328 S334 M336 S358 S359 H540 V541 Q542 P587 T591	N328-M589 PolarHBondContact ND2-N 3.04Å; N328-M589 PolarHBondContact ND2-O 3.14Å; N328-M589 PolarHBondContact OD1-N 3.24Å; S334-M589 WeakPolarHBondContact O-CB 3.35Å; S334-M589 WeakPolarHBondContact O-CE 3.12Å; M336-M589 VanDerWaalsContact CA-SD 3.56Å; M336-M589 HydrophobicContact CB-SD 3.8Å; M336-M589 PolarHBondContact N-SD 3.31Å; M336-M589 VanDerWaalsContact N-SD 3.42Å; S358-M589 PolarHBondContact OG-O 2.78Å; S359-M589 VanDerWaalsContact CB-CE 3.4Å; H540-M589 HydrophobicContact CB-CG 4.43Å; H540-M589 HydrophobicContact CB-SD 4.1Å; V541-M589 CarbonylContact O-C 3.54Å; V541-M589 WeakPolarHBondContact O-CA 3.19Å; Q542-M589 HydrophobicContact CG-CB 4.14Å; Q542-M589 HydrophobicContact CG-CG 4.02Å; P587-M589 PolarHBondContact O-N 2.68Å; M589-T591 HydrophobicContact CE-CG2 4.34Å
590	T	98.2	Very high	95.9	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	141.8	165.2	-177.8	0	0	0	0	112.2	S358 V541 L559 S567 I569 H592	S358-T590 VanDerWaalsContact O-CA 3.28Å; S358-T590 WeakPolarHBondContact O-CA 3.29Å; V541-T590 HydrophobicContact CB-CG2 3.97Å; V541-T590 PolarHBondContact N-O 2.93Å; V541-T590 PolarHBondContact O-N 3.35Å; L559-T590 HydrophobicContact CD2-CG2 4Å; S567-T590 WeakPolarHBondContact CB-OG1 3.27Å; S567-T590 WeakPolarHBondContact OG-CB 3.25Å; S567-T590 PolarHBondContact OG-OG1 3.44Å; I569-T590 HydrophobicContact CG2-CG2 4.35Å; T590-H592 WeakPolarHBondContact OG1-CB 3.36Å; T590-H592 PolarHBondContact OG1-N 2.93Å; T590-H592 VanDerWaalsContact OG1-N 3.17Å
591	T	98	Very high	96.3	Very high	2 Å²	2	29 Å²	29	1%	0.012	17%	0.167	C	C	.	.			trans	-105.7	-5	170.4	58.1	0	0	0	0	112	S358 L361 F478 M589 T593 W594	S358-T591 PolarHBondContact O-N 2.95Å; S358-T591 PolarHBondContact O-OG1 2.89Å; L361-T591 HydrophobicContact CD1-CG2 4.06Å; F478-T591 WeakPolarHBondContact CZ-O 3.4Å; M589-T591 HydrophobicContact CE-CG2 4.34Å; T591-T593 PolarHBondContact O-N 3.43Å; T591-W594 WeakPolarHBondContact O-CB 3.4Å; T591-W594 PolarHBondContact O-N 3.18Å
592	H	98.1	Very high	96.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-24.6	-174.6	-62.9	166.4	0	0	0	114.1	N466 F472 H474 T565 S567 T590 W594	N466-H592 VanDerWaalsContact CB-O 3.24Å; N466-H592 WeakPolarHBondContact CB-O 3.25Å; N466-H592 PolarHBondContact ND2-O 3.08Å; F472-H592 HydrophobicContact CD1-CB 4.3Å; F472-H592 HydrophobicContact CD2-CB 3.69Å; F472-H592 AromaticContact CD2-CD2 3.39Å; F472-H592 WeakPolarHBondContact CD2-CD2 3.43Å; F472-H592 AromaticContact CD2-CE1 3.76Å; F472-H592 AromaticContact CD2-CG 3.28Å; F472-H592 AromaticContact CD2-ND1 3.54Å; F472-H592 AromaticContact CD2-NE2 3.69Å; F472-H592 HydrophobicContact CE1-CB 4.3Å; F472-H592 HydrophobicContact CE2-CB 3.69Å; F472-H592 AromaticContact CE2-CE1 3.9Å; F472-H592 AromaticContact CE2-CG 3.47Å; F472-H592 VanDerWaalsContact CE2-CG 3.47Å; F472-H592 AromaticContact CE2-ND1 3.39Å; F472-H592 WeakPolarHBondContact CE2-ND1 3.46Å; F472-H592 HydrophobicContact CG-CB 4Å; F472-H592 AromaticContact CG-CD2 3.96Å; F472-H592 AromaticContact CG-CG 3.98Å; F472-H592 HydrophobicContact CZ-CB 4Å; H474-H592 AromaticContact CD2-CE1 3.59Å; H474-H592 AromaticContact CE1-CE1 3.61Å; H474-H592 AromaticContact CE1-ND1 3.97Å; H474-H592 AromaticContact CG-CE1 3.84Å; H474-H592 AromaticContact ND1-CE1 3.87Å; H474-H592 AromaticContact NE2-CE1 3.43Å; H474-H592 PolarHBondContact NE2-CE1 2.92Å; H474-H592 AromaticContact NE2-ND1 3.88Å; T565-H592 HydrophobicContact CG2-CB 4.37Å; S567-H592 PolarHBondContact OG-ND1 2.71Å; T590-H592 WeakPolarHBondContact OG1-CB 3.36Å; T590-H592 PolarHBondContact OG1-N 2.93Å; T590-H592 VanDerWaalsContact OG1-N 3.17Å; H592-W594 PolarHBondContact O-N 3.15Å
593	T	97.8	Very high	97.1	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.012	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	14.2	178.8	60.5	0	0	0	0	113	V541 T565 T591 G595 E596 W602	V541-T593 WeakPolarHBondContact CG2-OG1 3.49Å; T565-T593 HydrophobicContact CG2-CG2 4.03Å; T591-T593 PolarHBondContact O-N 3.43Å; T593-G595 PolarHBondContact O-N 2.8Å; T593-E596 VanDerWaalsContact O-CB 3.24Å; T593-E596 WeakPolarHBondContact O-CB 3.37Å; T593-E596 WeakPolarHBondContact O-CG 3.49Å; T593-E596 PolarHBondContact O-N 3.16Å; T593-W602 HydrophobicContact CG2-CH2 4.02Å; T593-W602 HydrophobicContact CG2-CZ3 4.26Å
594	W	98.3	Very high	97.1	Very high	1 Å²	1	26 Å²	26	0%	0.004	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	128.1	-177.8	-160.4	-79.3	0	0	0	112.7	L361 Q419 H420 V423 N466 V468 L470 F478 E539 H540 T591 H592 E596 Y633	L361-W594 HydrophobicContact CD1-CE3 4.09Å; L361-W594 HydrophobicContact CD1-CZ3 3.9Å; Q419-W594 HydrophobicContact CB-CH2 3.75Å; Q419-W594 HydrophobicContact CB-CZ2 4.33Å; H420-W594 HydrophobicContact CB-CZ2 4.42Å; H420-W594 AromaticContact CD2-CZ2 3.81Å; H420-W594 AromaticContact CE1-CE2 3.91Å; H420-W594 AromaticContact CE1-CZ2 3.62Å; H420-W594 AromaticContact CE1-NE1 3.74Å; H420-W594 AromaticContact CG-CZ2 3.69Å; H420-W594 AromaticContact ND1-CE2 3.79Å; H420-W594 AromaticContact ND1-CZ2 3.59Å; H420-W594 AromaticContact ND1-NE1 3.4Å; H420-W594 PolarHBondContact ND1-NE1 3.39Å; H420-W594 AromaticContact NE2-CZ2 3.77Å; V423-W594 HydrophobicContact CG1-CB 4.49Å; V423-W594 HydrophobicContact CG1-CG 4.04Å; V423-W594 HydrophobicContact CG2-CD2 3.79Å; V423-W594 HydrophobicContact CG2-CE3 4.08Å; V423-W594 HydrophobicContact CG2-CG 4.16Å; V423-W594 HydrophobicContact CG2-CZ2 4.26Å; V423-W594 HydrophobicContact CG2-CZ3 4.46Å; N466-W594 PolarHBondContact ND2-O 3.08Å; V468-W594 WeakPolarHBondContact CG2-O 3.37Å; L470-W594 HydrophobicContact CD1-CB 4.44Å; F478-W594 HydrophobicContact CE1-CB 4.32Å; F478-W594 HydrophobicContact CE2-CB 4.19Å; F478-W594 HydrophobicContact CZ-CB 3.54Å; F478-W594 HydrophobicContact CZ-CG 4.37Å; E539-W594 HydrophobicContact CB-CD2 4.48Å; E539-W594 HydrophobicContact CB-CE3 4.23Å; E539-W594 HydrophobicContact CB-CH2 3.88Å; E539-W594 HydrophobicContact CB-CZ2 4.18Å; E539-W594 HydrophobicContact CB-CZ3 3.92Å; E539-W594 HydrophobicContact CG-CH2 4.11Å; E539-W594 HydrophobicContact CG-CZ2 3.95Å; E539-W594 WeakPolarHBondContact O-CZ3 3.16Å; H540-W594 AromaticContact CE1-CZ3 3.86Å; H540-W594 AromaticContact NE2-CZ3 3.87Å; T591-W594 WeakPolarHBondContact O-CB 3.4Å; T591-W594 PolarHBondContact O-N 3.18Å; H592-W594 PolarHBondContact O-N 3.15Å; W594-E596 PolarHBondContact O-N 3.1Å; W594-Y633 PolarHBondContact NE1-OH 3.44Å
595	G	97	Very high	97.2	Very high	2 Å²	2	21 Å²	21	2%	0.021	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	-10.8	-179.6	0	0	0	0	0	115.2	V468 L538 T593 H654	V468-G595 VanDerWaalsContact CG1-O 3.32Å; V468-G595 WeakPolarHBondContact CG1-O 3.33Å; L538-G595 PolarHBondContact O-N 3.46Å; T593-G595 PolarHBondContact O-N 2.8Å; G595-H654 PolarHBondContact O-NE2 3.48Å
596	E	97.3	Very high	97.2	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	9%	0.094	C	C	.	.			trans	-66.2	161.9	179	-68.5	179.8	-162.4	0	0	113.2	N466 G467 V468 Y537 L538 S561 T565 T593 W594	N466-E596 VanDerWaalsContact CB-OE1 3.26Å; N466-E596 WeakPolarHBondContact CB-OE1 3.47Å; G467-E596 PolarHBondContact N-OE1 3.23Å; V468-E596 HydrophobicContact CG1-CG 4.31Å; Y537-E596 WeakPolarHBondContact CA-O 3.36Å; L538-E596 HydrophobicContact CD1-CB 4.09Å; L538-E596 WeakPolarHBondContact CG-O 3.35Å; L538-E596 PolarHBondContact N-O 2.95Å; S561-E596 WeakPolarHBondContact CB-OE2 3.37Å; S561-E596 PolarHBondContact OG-OE2 3.03Å; T565-E596 VanDerWaalsContact CB-OE1 3.25Å; T565-E596 WeakPolarHBondContact CB-OE1 3.47Å; T565-E596 PolarHBondContact OG1-OE1 3.37Å; T593-E596 VanDerWaalsContact O-CB 3.24Å; T593-E596 WeakPolarHBondContact O-CB 3.37Å; T593-E596 WeakPolarHBondContact O-CG 3.49Å; T593-E596 PolarHBondContact O-N 3.16Å; W594-E596 PolarHBondContact O-N 3.1Å
597	R	96.1	Very high	97.1	Very high	80 Å²	80	17.5 Å²	17.5	30%	0.302	10%	0.095	S	C	.	.	B	Isolated β-bridge	trans	-73.3	130.9	170.2	-65	-62.5	-59.7	171.1	4.5	109.6	N536 Y537	N536-R597 VanDerWaalsContact CB-NH1 3.28Å; N536-R597 WeakPolarHBondContact O-CA 3.29Å; N536-R597 VanDerWaalsContact O-CZ 3.29Å; N536-R597 PolarHBondContact O-NE 3.18Å; N536-R597 PolarHBondContact O-NH1 3.2Å; N536-R597 PolarHBondContact OD1-NH2 2.74Å; Y537-R597 VanDerWaalsContact CE2-NH1 3.32Å; Y537-R597 PolarHBondContact OH-NH1 3.19Å
598	S	96.3	Very high	97	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.085	C	C	.	.			trans	-74.3	-35.2	-177.7	50.6	0	0	0	0	114.3	A527 V535 N536 W602	A527-S598 WeakPolarHBondContact CB-OG 3.25Å; V535-S598 WeakPolarHBondContact O-CB 3.42Å; V535-S598 PolarHBondContact O-OG 2.93Å; N536-S598 WeakPolarHBondContact CA-OG 3.47Å; N536-S598 PolarHBondContact O-N 3.46Å; N536-S598 PolarHBondContact O-OG 2.82Å; S598-W602 PolarHBondContact O-NE1 2.99Å
599	A	96.8	Very high	96.6	Very high	41 Å²	41	17.1 Å²	17.1	34%	0.339	9%	0.089	S	C	.	.			trans	-76.4	142.5	-173.7	0	0	0	0	0	112.4	T525 A527	T525-A599 WeakPolarHBondContact O-CA 3.33Å; A527-A599 HydrophobicContact CB-CB 4.21Å
600	G	96.7	Very high	96.1	Very high	25 Å²	25	19 Å²	19	26%	0.258	11%	0.109	S	C	.	.	E	Extended strand (participates in β ladder)	trans	131	-162.1	-179.2	0	0	0	0	0	112	T525	T525-G600 PolarHBondContact N-O 3.17Å; T525-G600 PolarHBondContact O-N 3.4Å
601	T	97.4	Very high	95.4	Very high	48 Å²	48	25.3 Å²	25.3	29%	0.294	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	115.1	-178	-54.3	0	0	0	0	110.6	E522 T524 R603	E522-T601 HydrophobicContact CB-CG2 4.11Å; T524-T601 PolarHBondContact OG1-OG1 3.44Å; T601-R603 HydrophobicContact CG2-CG 4.48Å
602	W	97.9	Very high	95	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	142.1	170	-72.4	80.7	0	0	0	109.9	E522 I523 L538 V541 L559 P562 T593 S598 L623 L625	E522-W602 WeakPolarHBondContact CA-O 3.12Å; I523-W602 PolarHBondContact N-O 3.48Å; I523-W602 PolarHBondContact O-N 2.99Å; L538-W602 HydrophobicContact CD1-CH2 3.69Å; L538-W602 HydrophobicContact CD1-CZ2 3.54Å; V541-W602 HydrophobicContact CB-CH2 4.43Å; V541-W602 HydrophobicContact CG1-CE3 4.49Å; V541-W602 HydrophobicContact CG1-CH2 4.12Å; V541-W602 HydrophobicContact CG1-CZ3 3.97Å; V541-W602 HydrophobicContact CG2-CH2 3.73Å; V541-W602 HydrophobicContact CG2-CZ2 4.29Å; V541-W602 HydrophobicContact CG2-CZ3 4.34Å; L559-W602 HydrophobicContact CD1-CE3 4.1Å; L559-W602 HydrophobicContact CD2-CE3 4.1Å; L559-W602 HydrophobicContact CD2-CZ3 3.95Å; L559-W602 HydrophobicContact CG-CE3 3.93Å; L559-W602 HydrophobicContact CG-CZ3 4.07Å; P562-W602 HydrophobicContact CG-CD2 4.46Å; P562-W602 HydrophobicContact CG-CG 4.36Å; T593-W602 HydrophobicContact CG2-CH2 4.02Å; T593-W602 HydrophobicContact CG2-CZ3 4.26Å; S598-W602 PolarHBondContact O-NE1 2.99Å; W602-L623 HydrophobicContact CB-CD2 3.62Å; W602-L623 HydrophobicContact CD2-CD1 4.35Å; W602-L623 HydrophobicContact CD2-CD2 3.97Å; W602-L623 HydrophobicContact CE3-CD1 4.4Å; W602-L623 HydrophobicContact CG-CD2 3.41Å; W602-L623 VanDerWaalsContact CG-CD2 3.41Å; W602-L625 HydrophobicContact CZ2-CD2 3.88Å
603	R	96.7	Very high	94.7	Very high	69 Å²	69	39.6 Å²	39.6	26%	0.26	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	133.5	177.4	-53.6	-179.9	169.2	142.4	-0.8	110.5	V520 L521 E522 I560 T601	V520-R603 HydrophobicContact CG1-CB 4.21Å; L521-R603 CarbonylContact O-C 3.6Å; L521-R603 VanDerWaalsContact O-CA 3.24Å; L521-R603 WeakPolarHBondContact O-CA 3.38Å; E522-R603 HydrophobicContact CG-CG 4.08Å; E522-R603 IonicContact OE1-CZ 3.44Å; E522-R603 IonicContact OE1-NE 2.71Å; E522-R603 PolarHBondContact OE1-NE 2.64Å; E522-R603 IonicContact OE1-NH2 3.34Å; E522-R603 PolarHBondContact OE1-NH2 3.41Å; I560-R603 HydrophobicContact CB-CB 4.23Å; I560-R603 HydrophobicContact CD1-CB 4.16Å; I560-R603 WeakPolarHBondContact CD1-O 3.49Å; I560-R603 PolarHBondContact N-O 3.31Å; I560-R603 PolarHBondContact O-N 3.03Å; T601-R603 HydrophobicContact CG2-CG 4.48Å
604	M	97.1	Very high	94.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	120.5	166.6	-174.9	173.5	69.4	0	0	108.9	L521 V545 Y558 V606 I618 W621	L521-M604 HydrophobicContact CD1-CE 3.81Å; L521-M604 PolarHBondContact N-O 3.23Å; L521-M604 PolarHBondContact O-N 3.23Å; V545-M604 HydrophobicContact CG2-CE 4.33Å; V545-M604 HydrophobicContact CG2-SD 3.86Å; Y558-M604 CarbonylContact O-C 3.47Å; Y558-M604 WeakPolarHBondContact O-CA 3.21Å; M604-V606 HydrophobicContact CE-CG2 3.95Å; M604-V606 HydrophobicContact CG-CG2 4.02Å; M604-V606 HydrophobicContact SD-CG2 4.43Å; M604-I618 HydrophobicContact CE-CD1 4.48Å; M604-I618 HydrophobicContact CE-CG2 4.09Å; M604-W621 HydrophobicContact CB-CD2 3.98Å; M604-W621 HydrophobicContact CB-CE3 3.86Å; M604-W621 HydrophobicContact CB-CH2 3.44Å; M604-W621 VanDerWaalsContact CB-CH2 3.44Å; M604-W621 HydrophobicContact CB-CZ2 3.55Å; M604-W621 HydrophobicContact CB-CZ3 3.6Å; M604-W621 HydrophobicContact CE-CB 3.69Å; M604-W621 HydrophobicContact CE-CD2 3.53Å; M604-W621 HydrophobicContact CE-CE3 3.77Å; M604-W621 HydrophobicContact CE-CG 3.49Å; M604-W621 VanDerWaalsContact CE-CG 3.49Å; M604-W621 HydrophobicContact SD-CD2 3.92Å; M604-W621 HydrophobicContact SD-CG 3.95Å
605	A	95.8	Very high	94.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	126.6	177.5	0	0	0	0	0	109.5	L442 I444 L518 L519 Y558 I560	L442-A605 HydrophobicContact CD1-CB 4.24Å; I444-A605 HydrophobicContact CD1-CB 3.93Å; L518-A605 HydrophobicContact CD1-CB 3.81Å; L518-A605 HydrophobicContact CD2-CB 4.15Å; L518-A605 HydrophobicContact CG-CB 4.2Å; L519-A605 CarbonylContact O-C 3.47Å; L519-A605 WeakPolarHBondContact O-CA 3.36Å; Y558-A605 PolarHBondContact N-O 3.04Å; Y558-A605 PolarHBondContact O-N 2.99Å; I560-A605 HydrophobicContact CD1-CB 4.05Å
606	V	96.5	Very high	94.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	132.7	-173.5	-174.9	0	0	0	0	109.5	I513 L519 V555 L557 M604 I618	I513-V606 HydrophobicContact CD1-CG1 3.71Å; I513-V606 HydrophobicContact CG1-CG1 3.87Å; I513-V606 HydrophobicContact CG2-CG1 4.06Å; L519-V606 HydrophobicContact CB-CB 4.27Å; L519-V606 HydrophobicContact CD2-CB 4.42Å; L519-V606 PolarHBondContact N-O 3.4Å; L519-V606 PolarHBondContact O-N 2.89Å; V555-V606 HydrophobicContact CG1-CG1 4.21Å; L557-V606 HydrophobicContact CD2-CB 4.04Å; L557-V606 HydrophobicContact CD2-CG1 3.7Å; L557-V606 HydrophobicContact CD2-CG2 3.54Å; M604-V606 HydrophobicContact CE-CG2 3.95Å; M604-V606 HydrophobicContact CG-CG2 4.02Å; M604-V606 HydrophobicContact SD-CG2 4.43Å; V606-I618 HydrophobicContact CB-CG1 4.42Å; V606-I618 HydrophobicContact CG1-CD1 3.89Å; V606-I618 HydrophobicContact CG1-CG1 4.02Å; V606-I618 HydrophobicContact CG2-CD1 4.03Å; V606-I618 HydrophobicContact CG2-CG1 4.02Å
607	R	94.6	Very high	94.3	Very high	46 Å²	46	49.5 Å²	49.5	17%	0.174	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	162.9	178.1	62.1	174.8	-73.2	178.1	-3.2	112.2	G517 L518 T556	G517-R607 WeakPolarHBondContact O-CB 2.84Å; L518-R607 HydrophobicContact CD1-CB 3.98Å; L518-R607 HydrophobicContact CD1-CG 4.31Å; T556-R607 PolarHBondContact N-O 2.88Å; T556-R607 PolarHBondContact O-N 2.86Å; T556-R607 WeakPolarHBondContact OG1-CG 3.41Å; T556-R607 PolarHBondContact OG1-O 3.4Å
608	F	94.8	Very high	94.4	Very high	19 Å²	19	45.8 Å²	45.8	8%	0.083	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	142.8	162.8	-69.1	-63.7	0	0	0	111.8	I513 S549 D554 V555 Q614	I513-F608 HydrophobicContact CB-CD2 4.47Å; I513-F608 HydrophobicContact CB-CE2 3.76Å; I513-F608 HydrophobicContact CB-CZ 4.18Å; I513-F608 HydrophobicContact CD1-CZ 4.29Å; I513-F608 HydrophobicContact CG2-CD2 3.72Å; I513-F608 HydrophobicContact CG2-CE2 3.48Å; I513-F608 VanDerWaalsContact CG2-CE2 3.48Å; I513-F608 HydrophobicContact CG2-CG 4.48Å; I513-F608 HydrophobicContact CG2-CZ 4.06Å; S549-F608 VanDerWaalsContact OG-CE1 3.23Å; S549-F608 WeakPolarHBondContact OG-CE1 3.29Å; D554-F608 HydrophobicContact CB-CD1 4.18Å; D554-F608 CarbonylContact O-C 3.54Å; D554-F608 VanDerWaalsContact O-CA 3.25Å; D554-F608 WeakPolarHBondContact O-CA 3.38Å; V555-F608 HydrophobicContact CG2-CD1 4.07Å; V555-F608 HydrophobicContact CG2-CE1 3.53Å; V555-F608 HydrophobicContact CG2-CZ 4.41Å; F608-Q614 HydrophobicContact CD1-CB 3.53Å; F608-Q614 HydrophobicContact CD1-CG 4.04Å; F608-Q614 HydrophobicContact CD2-CB 3.98Å; F608-Q614 HydrophobicContact CE1-CB 3.55Å; F608-Q614 HydrophobicContact CE1-CG 4.35Å; F608-Q614 HydrophobicContact CE2-CB 4Å; F608-Q614 HydrophobicContact CG-CB 3.75Å; F608-Q614 HydrophobicContact CG-CG 4.41Å; F608-Q614 HydrophobicContact CZ-CB 3.79Å
609	Q	90.7	Very high	94.4	Very high	20 Å²	20	48.5 Å²	48.5	9%	0.093	26%	0.258	C	S	.	.			trans	-133.3	110.5	172.4	-169.8	179.8	-26.9	0	0	109.4	Q438 D554 T556 R572	Q438-Q609 PolarHBondContact O-NE2 3.01Å; D554-Q609 PolarHBondContact O-N 3.05Å; T556-Q609 HydrophobicContact CG2-CB 4.03Å; R572-Q609 HydrophobicContact CB-CB 4.46Å; R572-Q609 VanDerWaalsContact CD-O 3.24Å; R572-Q609 WeakPolarHBondContact CD-O 3.47Å; R572-Q609 HydrophobicContact CG-CB 4.48Å; R572-Q609 PolarHBondContact NE-O 3.47Å
610	G	86.7	Confident	94.5	Very high	42 Å²	42	50.3 Å²	50.3	43%	0.433	26%	0.256	S	S	.	.	S	Bend	trans	168.7	174.7	-176.9	0	0	0	0	0	111.4
611	T	83.6	Confident	94.6	Very high	134 Å²	134	49.1 Å²	49.1	82%	0.822	24%	0.244	S	C	*	.	S	Bend	trans	-80.6	-31.1	179.1	53.7	0	0	0	0	112.6
612	N	89.2	Confident	94.6	Very high	113 Å²	113	47.2 Å²	47.2	60%	0.604	23%	0.232	S	C	*	.	S	Bend	trans	-95.4	144.7	-174.3	-62.8	-19.8	0	0	0	110.5	Q614	N612-Q614 PolarHBondContact O-N 3.24Å
613	R	91.7	Very high	94.6	Very high	189 Å²	189	47.2 Å²	47.2	71%	0.713	23%	0.232	S	C	*	.			trans	-70.2	123	174.5	-65.9	-178.4	72.3	98.9	-6.1	109.4	S515	S515-R613 PolarHBondContact OG-NH2 2.74Å
614	Q	94.3	Very high	94.7	Very high	20 Å²	20	45.6 Å²	45.6	9%	0.093	23%	0.228	C	C	.	.			trans	-107.8	164.3	176.1	-54.9	-58.8	-11.9	0	0	111.1	S515 S550 R551 D554 F608 N612	S515-Q614 VanDerWaalsContact CB-O 3.3Å; S515-Q614 WeakPolarHBondContact CB-O 3.36Å; S550-Q614 WeakPolarHBondContact OG-CA 3.39Å; S550-Q614 WeakPolarHBondContact OG-CB 3.2Å; S550-Q614 PolarHBondContact OG-OE1 2.61Å; R551-Q614 HydrophobicContact CB-CG 4.25Å; D554-Q614 HydrophobicContact CB-CG 4Å; D554-Q614 WeakPolarHBondContact OD2-CG 3.44Å; D554-Q614 PolarHBondContact OD2-NE2 2.64Å; F608-Q614 HydrophobicContact CD1-CB 3.53Å; F608-Q614 HydrophobicContact CD1-CG 4.04Å; F608-Q614 HydrophobicContact CD2-CB 3.98Å; F608-Q614 HydrophobicContact CE1-CB 3.55Å; F608-Q614 HydrophobicContact CE1-CG 4.35Å; F608-Q614 HydrophobicContact CE2-CB 4Å; F608-Q614 HydrophobicContact CG-CB 3.75Å; F608-Q614 HydrophobicContact CG-CG 4.41Å; F608-Q614 HydrophobicContact CZ-CB 3.79Å; N612-Q614 PolarHBondContact O-N 3.24Å
615	T	95.4	Very high	94.8	Very high	79 Å²	79	45.6 Å²	45.6	49%	0.485	23%	0.228	S	C	.	.			trans	-132.7	140.7	173.9	57	0	0	0	0	109.3	S549 S550	S549-T615 CarbonylContact C-O 3.02Å; S549-T615 WeakPolarHBondContact CA-O 3.36Å; S550-T615 PolarHBondContact N-O 3.2Å; S550-T615 PolarHBondContact OG-N 2.87Å; S550-T615 PolarHBondContact OG-O 3.14Å
616	G	95.9	Very high	94.9	Very high	3 Å²	3	46 Å²	46	3%	0.031	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.3	172.4	178.3	0	0	0	0	0	112	I513 N548	I513-G616 PolarHBondContact N-O 3.05Å; N548-G616 CarbonylContact O-C 3.5Å; N548-G616 WeakPolarHBondContact O-CA 3.43Å
617	W	97.1	Very high	95	Very high	111 Å²	111	46 Å²	46	42%	0.42	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	138.5	-178.5	-58.8	79	0	0	0	110	P510 Q511 R512 L547 N548	P510-W617 HydrophobicContact CB-CE3 4.07Å; Q511-W617 WeakPolarHBondContact O-CA 3.24Å; R512-W617 HydrophobicContact CB-CD2 4.17Å; R512-W617 HydrophobicContact CB-CE3 3.79Å; R512-W617 HydrophobicContact CB-CH2 3.78Å; R512-W617 HydrophobicContact CB-CZ2 4.16Å; R512-W617 HydrophobicContact CB-CZ3 3.6Å; R512-W617 HydrophobicContact CG-CD2 4.42Å; R512-W617 HydrophobicContact CG-CH2 4.2Å; R512-W617 HydrophobicContact CG-CZ2 4.09Å; R512-W617 HydrophobicContact CG-CZ3 4.41Å; L547-W617 WeakPolarHBondContact CA-O 3.09Å; L547-W617 WeakPolarHBondContact CB-O 3.39Å; N548-W617 PolarHBondContact N-O 3.48Å; N548-W617 VanDerWaalsContact N-O 3.08Å; N548-W617 PolarHBondContact O-N 2.97Å; N548-W617 WeakPolarHBondContact OD1-CB 3.48Å; N548-W617 PolarHBondContact OD1-O 3.11Å
618	I	97.3	Very high	95.1	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.015	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	105.3	159.9	-61.7	-68.2	0	0	0	105.6	P510 Q511 I513 L519 L521 V545 L547 L557 M604 V606 W621	P510-I618 CarbonylContact C-O 3.58Å; P510-I618 WeakPolarHBondContact CA-O 3.3Å; Q511-I618 PolarHBondContact N-O 3.39Å; Q511-I618 PolarHBondContact O-N 2.98Å; I513-I618 HydrophobicContact CD1-CD1 4.19Å; I513-I618 HydrophobicContact CD1-CG1 4.1Å; I513-I618 HydrophobicContact CG1-CG1 4.01Å; L519-I618 HydrophobicContact CD2-CG1 4.27Å; L521-I618 HydrophobicContact CD1-CB 4.47Å; L521-I618 HydrophobicContact CD1-CG2 4.02Å; V545-I618 HydrophobicContact CG1-CD1 4.06Å; L547-I618 HydrophobicContact CB-CD1 3.78Å; L547-I618 HydrophobicContact CD2-CD1 3.97Å; L557-I618 HydrophobicContact CD2-CD1 4.32Å; M604-I618 HydrophobicContact CE-CD1 4.48Å; M604-I618 HydrophobicContact CE-CG2 4.09Å; V606-I618 HydrophobicContact CB-CG1 4.42Å; V606-I618 HydrophobicContact CG1-CD1 3.89Å; V606-I618 HydrophobicContact CG1-CG1 4.02Å; V606-I618 HydrophobicContact CG2-CD1 4.03Å; V606-I618 HydrophobicContact CG2-CG1 4.02Å; I618-W621 HydrophobicContact CG2-CB 4.39Å
619	N	97	Very high	95.2	Very high	56 Å²	56	46.9 Å²	46.9	30%	0.299	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	-32.6	-177.8	-60.4	-46.3	0	0	0	111.7	S546 N548	S546-N619 WeakPolarHBondContact O-CA 3.39Å; S546-N619 WeakPolarHBondContact O-CB 3.27Å; S546-N619 PolarHBondContact O-N 3.36Å; N548-N619 PolarHBondContact OD1-ND2 2.98Å; N548-N619 PolarHBondContact OD1-OD1 3.31Å
620	R	97.7	Very high	95.4	Very high	79 Å²	79	52 Å²	52	30%	0.298	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	140.1	179.9	-166.7	172	76.7	121.8	5.2	110.5	I507 L508 V545 S546 N585	I507-R620 WeakPolarHBondContact O-CA 3.49Å; L508-R620 HydrophobicContact CD2-CG 3.71Å; V545-R620 WeakPolarHBondContact CA-O 3.24Å; S546-R620 PolarHBondContact N-O 3.03Å; S546-R620 PolarHBondContact O-N 3.49Å; S546-R620 VanDerWaalsContact O-N 3.08Å; N585-R620 VanDerWaalsContact OD1-CZ 3.24Å; N585-R620 PolarHBondContact OD1-NE 2.92Å; N585-R620 PolarHBondContact OD1-NH2 3.48Å
621	W	98.2	Very high	95.7	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	123.9	165.3	171.3	34	0	0	0	109.5	S506 I507 L521 I523 V544 L559 M604 I618	S506-W621 CarbonylContact C-O 3.52Å; S506-W621 VanDerWaalsContact CA-O 3.29Å; S506-W621 WeakPolarHBondContact CA-O 3.31Å; I507-W621 HydrophobicContact CD1-CE3 3.89Å; I507-W621 HydrophobicContact CD1-CZ3 4.08Å; I507-W621 HydrophobicContact CG1-CE3 4.48Å; I507-W621 PolarHBondContact N-O 3Å; I507-W621 PolarHBondContact O-N 3.18Å; L521-W621 HydrophobicContact CB-CE3 3.65Å; L521-W621 HydrophobicContact CB-CZ3 3.44Å; L521-W621 VanDerWaalsContact CB-CZ3 3.44Å; L521-W621 HydrophobicContact CD1-CE3 4.03Å; I523-W621 HydrophobicContact CB-CH2 4.33Å; I523-W621 HydrophobicContact CD1-CD2 3.88Å; I523-W621 HydrophobicContact CD1-CE3 3.81Å; I523-W621 HydrophobicContact CD1-CH2 3.85Å; I523-W621 HydrophobicContact CD1-CZ2 3.92Å; I523-W621 HydrophobicContact CD1-CZ3 3.79Å; I523-W621 HydrophobicContact CG1-CE3 4.23Å; I523-W621 HydrophobicContact CG1-CH2 3.94Å; I523-W621 HydrophobicContact CG1-CZ2 4.47Å; I523-W621 HydrophobicContact CG1-CZ3 3.79Å; V544-W621 WeakPolarHBondContact O-CA 2.93Å; L559-W621 HydrophobicContact CD1-CZ2 3.93Å; M604-W621 HydrophobicContact CB-CD2 3.98Å; M604-W621 HydrophobicContact CB-CE3 3.86Å; M604-W621 HydrophobicContact CB-CH2 3.44Å; M604-W621 VanDerWaalsContact CB-CH2 3.44Å; M604-W621 HydrophobicContact CB-CZ2 3.55Å; M604-W621 HydrophobicContact CB-CZ3 3.6Å; M604-W621 HydrophobicContact CE-CB 3.69Å; M604-W621 HydrophobicContact CE-CD2 3.53Å; M604-W621 HydrophobicContact CE-CE3 3.77Å; M604-W621 HydrophobicContact CE-CG 3.49Å; M604-W621 VanDerWaalsContact CE-CG 3.49Å; M604-W621 HydrophobicContact SD-CD2 3.92Å; M604-W621 HydrophobicContact SD-CG 3.95Å; I618-W621 HydrophobicContact CG2-CB 4.39Å
622	T	98.4	Very high	96.3	Very high	9 Å²	9	46.1 Å²	46.1	6%	0.055	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	131	170.8	-61.5	0	0	0	0	108.9	S506 V544 M624	S506-T622 WeakPolarHBondContact OG-CB 3.47Å; S506-T622 VanDerWaalsContact OG-CG2 3.25Å; S506-T622 WeakPolarHBondContact OG-CG2 3.48Å; S506-T622 PolarHBondContact OG-OG1 2.75Å; V544-T622 PolarHBondContact N-O 3.41Å; V544-T622 PolarHBondContact O-N 3.46Å; T622-M624 HydrophobicContact CG2-CG 4.21Å; T622-M624 HydrophobicContact CG2-SD 3.81Å
623	L	98.6	Very high	96.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	118.1	176.5	178.6	67.7	0	0	0	109.6	A504 G505 I523 V541 L559 W602 L625	A504-L623 HydrophobicContact CB-CB 4.26Å; A504-L623 HydrophobicContact CB-CD2 3.78Å; A504-L623 HydrophobicContact CB-CG 3.93Å; A504-L623 WeakPolarHBondContact CB-O 3.32Å; A504-L623 PolarHBondContact N-O 3.28Å; G505-L623 PolarHBondContact O-N 3.18Å; I523-L623 HydrophobicContact CB-CD2 4.43Å; I523-L623 HydrophobicContact CD1-CB 3.95Å; I523-L623 HydrophobicContact CG2-CD2 4.15Å; V541-L623 HydrophobicContact CG1-CD1 3.76Å; L559-L623 HydrophobicContact CD1-CD1 4.45Å; L559-L623 HydrophobicContact CD2-CD1 4.49Å; W602-L623 HydrophobicContact CB-CD2 3.62Å; W602-L623 HydrophobicContact CD2-CD1 4.35Å; W602-L623 HydrophobicContact CD2-CD2 3.97Å; W602-L623 HydrophobicContact CE3-CD1 4.4Å; W602-L623 HydrophobicContact CG-CD2 3.41Å; W602-L623 VanDerWaalsContact CG-CD2 3.41Å; L623-L625 HydrophobicContact CD1-CD2 4.03Å; L623-L625 HydrophobicContact CD2-CD2 4.22Å; L623-L625 HydrophobicContact CG-CD2 3.97Å; L623-L625 HydrophobicContact CG-CG 4.42Å
624	M	98.2	Very high	96.4	Very high	34 Å²	34	35.5 Å²	35.5	17%	0.167	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	125	176.5	-59.3	-63.3	-62.4	0	0	109.7	D503 Q542 V544 T622	D503-M624 HydrophobicContact CB-CE 4.4Å; D503-M624 HydrophobicContact CB-SD 4.01Å; Q542-M624 HydrophobicContact CB-CB 4.2Å; Q542-M624 PolarHBondContact N-O 3.4Å; Q542-M624 PolarHBondContact O-N 3.11Å; V544-M624 HydrophobicContact CG2-CG 4.04Å; T622-M624 HydrophobicContact CG2-CG 4.21Å; T622-M624 HydrophobicContact CG2-SD 3.81Å
625	L	98.5	Very high	95.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	131.6	178.8	-53.4	-179.8	0	0	0	109.4	H501 C502 A504 T525 A527 V535 L538 V541 W602 L623	H501-L625 CarbonylContact C-O 3.58Å; H501-L625 VanDerWaalsContact CA-O 3.28Å; H501-L625 WeakPolarHBondContact CA-O 3.02Å; C502-L625 HydrophobicContact CB-CB 4.42Å; C502-L625 PolarHBondContact N-O 3.35Å; C502-L625 PolarHBondContact O-N 3.49Å; A504-L625 HydrophobicContact CB-CD1 3.66Å; A504-L625 HydrophobicContact CB-CG 3.75Å; T525-L625 HydrophobicContact CG2-CD1 4.08Å; A527-L625 HydrophobicContact CB-CD1 4.28Å; V535-L625 HydrophobicContact CG1-CB 4.44Å; L538-L625 HydrophobicContact CD2-CB 4.08Å; L538-L625 HydrophobicContact CD2-CD2 4.13Å; L538-L625 HydrophobicContact CD2-CG 4.48Å; V541-L625 HydrophobicContact CB-CD2 4.44Å; V541-L625 HydrophobicContact CG1-CD2 3.81Å; V541-L625 HydrophobicContact CG2-CD2 3.93Å; W602-L625 HydrophobicContact CZ2-CD2 3.88Å; L623-L625 HydrophobicContact CD1-CD2 4.03Å; L623-L625 HydrophobicContact CD2-CD2 4.22Å; L623-L625 HydrophobicContact CG-CD2 3.97Å; L623-L625 HydrophobicContact CG-CG 4.42Å
626	H	98.2	Very high	95.6	Very high	9 Å²	9	32.9 Å²	32.9	4%	0.042	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	135.9	177.1	-54	-91.9	0	0	0	110	M336 R499 H501 E539 H540 Q542	M336-H626 VanDerWaalsContact CE-CE1 3.47Å; M336-H626 WeakPolarHBondContact CE-CE1 3.39Å; R499-H626 PolarHBondContact NH1-ND1 3.45Å; H501-H626 WeakPolarHBondContact CB-ND1 3.31Å; E539-H626 PolarHBondContact N-O 3.38Å; H540-H626 HydrophobicContact CB-CB 4.14Å; H540-H626 PolarHBondContact N-O 3.15Å; H540-H626 WeakPolarHBondContact O-CA 3.32Å; H540-H626 WeakPolarHBondContact O-CB 3.33Å; H540-H626 PolarHBondContact O-N 3.2Å; Q542-H626 PolarHBondContact OE1-NE2 3.14Å
627	G	97.9	Very high	94.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.7	-147.9	178.7	0	0	0	0	0	113	R499 Y500 Y537	R499-G627 WeakPolarHBondContact CA-O 3.46Å; Y500-G627 PolarHBondContact N-O 2.83Å; Y500-G627 PolarHBondContact O-N 3.32Å; Y500-G627 VanDerWaalsContact O-N 3.12Å; Y537-G627 CarbonylContact O-C 3.52Å; Y537-G627 VanDerWaalsContact O-CA 3.29Å; Y537-G627 WeakPolarHBondContact O-CA 3.13Å
628	T	97.5	Very high	93.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	148.5	-173.2	48.2	0	0	0	0	112.1	P497 N536 Y537 E630	P497-T628 HydrophobicContact CB-CG2 4.05Å; P497-T628 HydrophobicContact CG-CG2 4.46Å; N536-T628 WeakPolarHBondContact CA-O 3.46Å; N536-T628 WeakPolarHBondContact CB-O 3.18Å; N536-T628 PolarHBondContact N-O 3.05Å; Y537-T628 PolarHBondContact N-O 3.33Å; Y537-T628 PolarHBondContact O-N 2.88Å; T628-E630 WeakPolarHBondContact CB-O 3.41Å; T628-E630 PolarHBondContact OG1-O 2.77Å; T628-E630 VanDerWaalsContact OG1-O 3.12Å
629	K	96.4	Very high	92.4	Very high	84 Å²	84	39.7 Å²	39.7	37%	0.365	22%	0.22	S	C	.	.	S	Bend	trans	-75.8	-40.1	171.5	-178.9	172.4	178.6	153.7	0	111.9	Y500 E534 N536	Y500-K629 HydrophobicContact CD2-CB 4.06Å; Y500-K629 HydrophobicContact CE2-CB 4Å; E534-K629 HydrophobicContact CB-CD 4.28Å; E534-K629 HydrophobicContact CG-CD 4.39Å; E534-K629 HydrophobicContact CG-CG 4.22Å; E534-K629 WeakPolarHBondContact OE2-CE 3.35Å; E534-K629 IonicContact OE2-NZ 2.9Å; E534-K629 PolarHBondContact OE2-NZ 3.25Å; N536-K629 WeakPolarHBondContact CB-O 3.44Å; N536-K629 PolarHBondContact ND2-O 2.91Å
630	E	94.9	Very high	91.1	Very high	127 Å²	127	43.1 Å²	43.1	59%	0.593	24%	0.243	S	C	*	.	S	Bend	trans	-99.5	155.2	-178.5	-65.5	179.1	-177.6	0	0	111.1	P497 Y537 T628 P632	P497-E630 HydrophobicContact CB-CB 4.27Å; P497-E630 HydrophobicContact CG-CB 4.02Å; Y537-E630 VanDerWaalsContact CD2-C 3.48Å; Y537-E630 VanDerWaalsContact CD2-O 3.31Å; Y537-E630 WeakPolarHBondContact CD2-O 3.12Å; Y537-E630 VanDerWaalsContact CE2-C 3.43Å; T628-E630 WeakPolarHBondContact CB-O 3.41Å; T628-E630 PolarHBondContact OG1-O 2.77Å; T628-E630 VanDerWaalsContact OG1-O 3.12Å; E630-P632 WeakPolarHBondContact O-CD 3.48Å
631	P	94.8	Very high	89.9	Confident	43 Å²	43	47.2 Å²	47.2	28%	0.279	27%	0.271	S	S	.	.			trans	-61.8	120	179.5	-6.7	14.1	0	0	0	110.8	Y537 Y633 A634 H654	Y537-P631 HydrophobicContact CE1-CB 4.3Å; Y537-P631 VanDerWaalsContact CE2-CA 3.48Å; Y537-P631 HydrophobicContact CE2-CB 3.99Å; Y537-P631 HydrophobicContact CE2-CG 3.92Å; Y537-P631 WeakPolarHBondContact OH-CG 3.39Å; P631-Y633 PolarHBondContact O-N 3.15Å; P631-Y633 VanDerWaalsContact O-N 3.08Å; P631-A634 HydrophobicContact CB-CB 4.24Å; P631-A634 HydrophobicContact CG-CB 4.49Å; P631-A634 PolarHBondContact O-N 3.04Å; P631-H654 HydrophobicContact CB-CB 4.48Å
632	P	95	Very high	88.9	Confident	9 Å²	9	49.4 Å²	49.4	6%	0.058	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-17.3	-168.5	24.6	-34.6	0	0	0	114.4	V496 E630	V496-P632 HydrophobicContact CB-CB 4.37Å; V496-P632 HydrophobicContact CG1-CB 4.13Å; E630-P632 WeakPolarHBondContact O-CD 3.48Å
633	Y	94.3	Very high	87.9	Confident	1 Å²	1	55.4 Å²	55.4	0%	0.004	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116	6.9	-172.4	-51.1	-49.6	0	0	0	114.1	H420 L424 W493 W594 P631 G635 I636 L647 V650 Q651	H420-Y633 HydrophobicContact CB-CE1 4.2Å; H420-Y633 AromaticContact ND1-CE1 3.47Å; H420-Y633 WeakPolarHBondContact ND1-CE1 3.2Å; H420-Y633 AromaticContact ND1-CZ 3.39Å; H420-Y633 PolarHBondContact ND1-OH 3.02Å; L424-Y633 HydrophobicContact CD1-CD1 4.23Å; L424-Y633 HydrophobicContact CD1-CE1 3.68Å; L424-Y633 HydrophobicContact CD2-CE2 4.43Å; W493-Y633 HydrophobicContact CH2-CD1 4.19Å; W493-Y633 AromaticContact CH2-CE1 3.83Å; W493-Y633 HydrophobicContact CH2-CE1 3.83Å; W493-Y633 HydrophobicContact CZ2-CE1 4.34Å; W594-Y633 PolarHBondContact NE1-OH 3.44Å; P631-Y633 PolarHBondContact O-N 3.15Å; P631-Y633 VanDerWaalsContact O-N 3.08Å; Y633-G635 VanDerWaalsContact C-N 3.25Å; Y633-G635 PolarHBondContact O-N 2.95Å; Y633-I636 HydrophobicContact CD1-CD1 3.9Å; Y633-I636 PolarHBondContact O-N 3.06Å; Y633-L647 HydrophobicContact CD1-CD1 4.24Å; Y633-L647 HydrophobicContact CG-CD1 3.96Å; Y633-V650 HydrophobicContact CD2-CB 4.13Å; Y633-V650 HydrophobicContact CD2-CG1 3.64Å; Y633-V650 HydrophobicContact CE2-CB 4.19Å; Y633-V650 HydrophobicContact CE2-CG1 3.63Å; Y633-Q651 PolarHBondContact O-NE2 3.29Å
634	A	88.5	Confident	87.5	Confident	79 Å²	79	56.1 Å²	56.1	65%	0.653	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-32.4	-175	0	0	0	0	0	113.2	P631	P631-A634 HydrophobicContact CB-CB 4.24Å; P631-A634 HydrophobicContact CG-CB 4.49Å; P631-A634 PolarHBondContact O-N 3.04Å
635	G	85.1	Confident	87	Confident	39 Å²	39	58.1 Å²	58.1	40%	0.402	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-7.7	-178.3	0	0	0	0	0	115.4	K494 Y633 E637	K494-G635 VanDerWaalsContact CD-O 3.23Å; K494-G635 WeakPolarHBondContact CD-O 3.08Å; K494-G635 VanDerWaalsContact CE-O 3.24Å; K494-G635 WeakPolarHBondContact CE-O 3.45Å; K494-G635 PolarHBondContact NZ-O 2.87Å; Y633-G635 VanDerWaalsContact C-N 3.25Å; Y633-G635 PolarHBondContact O-N 2.95Å; G635-E637 PolarHBondContact O-N 3.21Å
636	I	87.6	Confident	86.8	Confident	5 Å²	5	59.1 Å²	59.1	3%	0.026	33%	0.334	C	S	.	.			trans	-87.5	113.5	-173.1	-53	179.1	0	0	0	109.2	L489 W493 K494 Y633 L647 Q651	L489-I636 HydrophobicContact CD1-CG2 4.43Å; W493-I636 HydrophobicContact CD2-CD1 4.19Å; W493-I636 HydrophobicContact CE3-CD1 3.79Å; W493-I636 HydrophobicContact CH2-CD1 3.79Å; W493-I636 HydrophobicContact CZ2-CD1 4.14Å; W493-I636 HydrophobicContact CZ3-CD1 3.59Å; K494-I636 HydrophobicContact CB-CG1 4.5Å; Y633-I636 HydrophobicContact CD1-CD1 3.9Å; Y633-I636 PolarHBondContact O-N 3.06Å; I636-L647 HydrophobicContact CB-CD2 4.46Å; I636-L647 HydrophobicContact CD1-CD1 4.46Å; I636-L647 HydrophobicContact CG2-CD2 3.8Å; I636-Q651 PolarHBondContact O-NE2 2.8Å
637	E	80.5	Confident	86.6	Confident	141 Å²	141	59 Å²	59	66%	0.659	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-81	145.1	177	-72.3	169.8	-147.2	0	0	110.7	K494 G635	K494-E637 IonicContact NZ-OE1 2.92Å; G635-E637 PolarHBondContact O-N 3.21Å
638	P	71.9	Confident	86.3	Confident	85 Å²	85	60.9 Å²	60.9	55%	0.552	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-57.6	141.9	171.9	-21	32.1	0	0	0	111.3
639	L	71	Confident	86.1	Confident	33 Å²	33	64.1 Å²	64.1	17%	0.173	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-67.3	138.2	171.5	-79.8	152.7	0	0	0	109.6	L488 K492 N641 H642	L488-L639 HydrophobicContact CB-CD1 4.22Å; K492-L639 HydrophobicContact CB-CD2 4.25Å; K492-L639 HydrophobicContact CD-CD2 4.44Å; K492-L639 HydrophobicContact CG-CD2 3.34Å; K492-L639 HydrophobicContact CG-CG 4.13Å; L639-N641 PolarHBondContact O-N 2.97Å; L639-H642 CarbonylContact C-O 3.46Å; L639-H642 HydrophobicContact CB-CB 3.95Å; L639-H642 VanDerWaalsContact CB-O 3.29Å; L639-H642 WeakPolarHBondContact CB-O 3.43Å; L639-H642 PolarHBondContact O-N 3.13Å
640	V	69.9	Low	86	Confident	128 Å²	128	60.1 Å²	60.1	78%	0.776	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	125.1	174.2	-178.9	0	0	0	0	108.4	H642	V640-H642 PolarHBondContact O-N 2.9Å
641	N	72.9	Confident	86	Confident	166 Å²	166	55.4 Å²	55.4	89%	0.888	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	13.4	-177.5	-52.7	-31.9	0	0	0	116	L639	L639-N641 PolarHBondContact O-N 2.97Å
642	H	77.2	Confident	85.9	Confident	45 Å²	45	60.4 Å²	60.4	21%	0.208	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-145.1	121.2	176.4	177.4	75.3	0	0	0	110.3	E485 L639 V640	E485-H642 VanDerWaalsContact CD-CE1 3.42Å; E485-H642 IonicContact OE1-CE1 3.6Å; E485-H642 PolarHBondContact OE1-CE1 2.96Å; E485-H642 IonicContact OE1-NE2 3.8Å; E485-H642 IonicContact OE2-CE1 3.51Å; E485-H642 PolarHBondContact OE2-CE1 3.36Å; E485-H642 IonicContact OE2-NE2 3.95Å; E485-H642 PolarHBondContact OE2-NE2 3.44Å; E485-H642 VanDerWaalsContact OE2-NE2 3.15Å; L639-H642 CarbonylContact C-O 3.46Å; L639-H642 HydrophobicContact CB-CB 3.95Å; L639-H642 VanDerWaalsContact CB-O 3.29Å; L639-H642 WeakPolarHBondContact CB-O 3.43Å; L639-H642 PolarHBondContact O-N 3.13Å; V640-H642 PolarHBondContact O-N 2.9Å
643	E	78	Confident	85.8	Confident	135 Å²	135	61.1 Å²	61.1	63%	0.631	34%	0.34	S	S	*	.			trans	-117	116.6	-176.1	-68.5	-169.1	176.6	0	0	111	S645 Q648	E643-S645 PolarHBondContact O-N 3.32Å; E643-Q648 PolarHBondContact OE2-NE2 3.31Å
644	N	88.3	Confident	85.7	Confident	15 Å²	15	61.5 Å²	61.5	8%	0.08	34%	0.342	C	S	.	.			trans	-81.2	112	170.6	-177.4	-74.8	0	0	0	109.8	L424 K646 L647 Q648	L424-N644 PolarHBondContact O-ND2 2.85Å; L424-N644 PolarHBondContact O-OD1 2.78Å; N644-K646 PolarHBondContact O-N 2.99Å; N644-K646 PolarHBondContact OD1-N 3.03Å; N644-L647 HydrophobicContact CB-CB 4.05Å; N644-L647 PolarHBondContact O-N 2.71Å; N644-L647 VanDerWaalsContact OD1-CB 3.31Å; N644-L647 WeakPolarHBondContact OD1-CB 3.13Å; N644-L647 PolarHBondContact OD1-N 3.09Å; N644-Q648 PolarHBondContact O-N 3.38Å
645	S	89.4	Confident	85.7	Confident	77 Å²	77	64.7 Å²	64.7	54%	0.538	34%	0.341	S	S	.	.	H	α-helix	trans	-63.8	-42	-174.3	60	0	0	0	0	113	E643 Q648 I649	E643-S645 PolarHBondContact O-N 3.32Å; S645-Q648 PolarHBondContact O-N 2.62Å; S645-I649 VanDerWaalsContact O-CG1 3.26Å; S645-I649 WeakPolarHBondContact O-CG1 3.37Å; S645-I649 PolarHBondContact O-N 2.89Å
646	K	94	Very high	85.7	Confident	21 Å²	21	72.3 Å²	72.3	9%	0.091	36%	0.357	C	S	.	.	H	α-helix	trans	-62.9	-44.9	178.6	-75.9	-177.2	167.1	-176.7	0	111.6	V423 L424 S426 L470 F478 N644 Q648 I649 V650	V423-K646 WeakPolarHBondContact O-CD 3.28Å; V423-K646 PolarHBondContact O-NZ 3.25Å; L424-K646 HydrophobicContact CD2-CB 4.1Å; L424-K646 WeakPolarHBondContact O-CD 3.28Å; S426-K646 WeakPolarHBondContact O-CE 3.42Å; S426-K646 PolarHBondContact O-NZ 3.31Å; L470-K646 HydrophobicContact CD2-CB 3.86Å; L470-K646 HydrophobicContact CD2-CD 4.13Å; L470-K646 HydrophobicContact CD2-CG 3.91Å; F478-K646 PolarHBondContact O-NZ 2.78Å; N644-K646 PolarHBondContact O-N 2.99Å; N644-K646 PolarHBondContact OD1-N 3.03Å; K646-Q648 VanDerWaalsContact C-N 3.34Å; K646-Q648 PolarHBondContact O-N 3.21Å; K646-I649 PolarHBondContact O-N 3.02Å; K646-V650 WeakPolarHBondContact O-CG2 3.37Å; K646-V650 PolarHBondContact O-N 3.11Å
647	L	93.5	Very high	84.9	Confident	7 Å²	7	74.7 Å²	74.7	4%	0.037	38%	0.375	C	S	.	.	H	α-helix	trans	-58	-47.1	176.1	177.3	64	0	0	0	110.9	L424 L489 Y633 I636 N644 I649 V650 Q651	L424-L647 HydrophobicContact CD1-CD1 4.07Å; L489-L647 HydrophobicContact CD1-CD2 4.1Å; Y633-L647 HydrophobicContact CD1-CD1 4.24Å; Y633-L647 HydrophobicContact CG-CD1 3.96Å; I636-L647 HydrophobicContact CB-CD2 4.46Å; I636-L647 HydrophobicContact CD1-CD1 4.46Å; I636-L647 HydrophobicContact CG2-CD2 3.8Å; N644-L647 HydrophobicContact CB-CB 4.05Å; N644-L647 PolarHBondContact O-N 2.71Å; N644-L647 VanDerWaalsContact OD1-CB 3.31Å; N644-L647 WeakPolarHBondContact OD1-CB 3.13Å; N644-L647 PolarHBondContact OD1-N 3.09Å; L647-I649 PolarHBondContact O-N 3.19Å; L647-V650 PolarHBondContact O-N 2.55Å; L647-Q651 HydrophobicContact CD1-CG 4.07Å; L647-Q651 HydrophobicContact CG-CG 4.38Å; L647-Q651 WeakPolarHBondContact O-CB 3.44Å; L647-Q651 VanDerWaalsContact O-CG 3.28Å; L647-Q651 WeakPolarHBondContact O-CG 3.15Å; L647-Q651 PolarHBondContact O-N 3.3Å
648	Q	92.2	Very high	84.1	Confident	38 Å²	38	73 Å²	73	18%	0.178	37%	0.373	C	S	.	.	H	α-helix	trans	-62.2	-42.5	177.9	-70.8	-173.6	2	0	0	112.6	E643 N644 S645 K646 R652	E643-Q648 PolarHBondContact OE2-NE2 3.31Å; N644-Q648 PolarHBondContact O-N 3.38Å; S645-Q648 PolarHBondContact O-N 2.62Å; K646-Q648 VanDerWaalsContact C-N 3.34Å; K646-Q648 PolarHBondContact O-N 3.21Å; Q648-R652 WeakPolarHBondContact O-CB 3.35Å; Q648-R652 WeakPolarHBondContact O-CG 3.49Å; Q648-R652 PolarHBondContact O-N 3.09Å
649	I	93.6	Very high	82.7	Confident	69 Å²	69	78.2 Å²	78.2	35%	0.354	40%	0.397	S	S	.	.	H	α-helix	trans	-58.2	-50.9	178	-74.4	165.5	0	0	0	109.9	V468 S645 K646 L647 R652 A653	V468-I649 WeakPolarHBondContact O-CG2 3.44Å; S645-I649 VanDerWaalsContact O-CG1 3.26Å; S645-I649 WeakPolarHBondContact O-CG1 3.37Å; S645-I649 PolarHBondContact O-N 2.89Å; K646-I649 PolarHBondContact O-N 3.02Å; L647-I649 PolarHBondContact O-N 3.19Å; I649-R652 PolarHBondContact O-N 3.09Å; I649-A653 PolarHBondContact O-N 3Å
650	V	94.3	Very high	83.3	Confident	0 Å²	0	80.5 Å²	80.5	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-68.6	-42.2	-178.1	-174.9	0	0	0	0	111.6	L424 V468 L470 Y633 K646 L647 R652 A653 H654	L424-V650 HydrophobicContact CD2-CG2 4.5Å; V468-V650 HydrophobicContact CG2-CG2 4.15Å; L470-V650 HydrophobicContact CD1-CG2 3.8Å; L470-V650 HydrophobicContact CD2-CG2 3.64Å; L470-V650 HydrophobicContact CG-CG2 3.65Å; Y633-V650 HydrophobicContact CD2-CB 4.13Å; Y633-V650 HydrophobicContact CD2-CG1 3.64Å; Y633-V650 HydrophobicContact CE2-CB 4.19Å; Y633-V650 HydrophobicContact CE2-CG1 3.63Å; K646-V650 WeakPolarHBondContact O-CG2 3.37Å; K646-V650 PolarHBondContact O-N 3.11Å; L647-V650 PolarHBondContact O-N 2.55Å; V650-R652 VanDerWaalsContact C-N 3.3Å; V650-R652 PolarHBondContact O-N 2.71Å; V650-A653 WeakPolarHBondContact O-CB 3.03Å; V650-A653 PolarHBondContact O-N 2.95Å; V650-A653 VanDerWaalsContact O-N 3.15Å; V650-H654 WeakPolarHBondContact CG1-CE1 3.03Å; V650-H654 WeakPolarHBondContact CG1-NE2 3.37Å; V650-H654 PolarHBondContact O-N 3.41Å
651	Q	93.4	Very high	84	Confident	27 Å²	27	77.9 Å²	77.9	13%	0.126	39%	0.389	C	S	.	.	H	α-helix	trans	-59.2	-40.3	175	-76.8	-179.6	-22.1	0	0	112	Y633 I636 L647 K655	Y633-Q651 PolarHBondContact O-NE2 3.29Å; I636-Q651 PolarHBondContact O-NE2 2.8Å; L647-Q651 HydrophobicContact CD1-CG 4.07Å; L647-Q651 HydrophobicContact CG-CG 4.38Å; L647-Q651 WeakPolarHBondContact O-CB 3.44Å; L647-Q651 VanDerWaalsContact O-CG 3.28Å; L647-Q651 WeakPolarHBondContact O-CG 3.15Å; L647-Q651 PolarHBondContact O-N 3.3Å; Q651-K655 WeakPolarHBondContact O-CB 3.31Å; Q651-K655 VanDerWaalsContact O-CG 3.27Å; Q651-K655 WeakPolarHBondContact O-CG 3.38Å; Q651-K655 PolarHBondContact O-N 3.26Å
652	R	92.4	Very high	84.6	Confident	148 Å²	148	73.1 Å²	73.1	56%	0.558	36%	0.361	S	S	*	.	H	α-helix	trans	-66	-42.4	175	-74.1	173.5	-172.5	175.6	7.5	111.4	Q648 I649 V650 K655 R656	Q648-R652 WeakPolarHBondContact O-CB 3.35Å; Q648-R652 WeakPolarHBondContact O-CG 3.49Å; Q648-R652 PolarHBondContact O-N 3.09Å; I649-R652 PolarHBondContact O-N 3.09Å; V650-R652 VanDerWaalsContact C-N 3.3Å; V650-R652 PolarHBondContact O-N 2.71Å; R652-K655 PolarHBondContact O-N 2.91Å; R652-R656 WeakPolarHBondContact O-CG 3.39Å; R652-R656 PolarHBondContact O-N 3.24Å; R652-R656 VanDerWaalsContact O-N 3.08Å
653	A	93.2	Very high	85.1	Confident	25 Å²	25	74.7 Å²	74.7	21%	0.207	37%	0.37	C	S	.	.	H	α-helix	trans	-61.6	-45.4	176.6	0	0	0	0	0	111.6	V468 I649 V650 K655 R656 S657	V468-A653 HydrophobicContact CB-CB 3.91Å; V468-A653 HydrophobicContact CG1-CB 4.03Å; I649-A653 PolarHBondContact O-N 3Å; V650-A653 WeakPolarHBondContact O-CB 3.03Å; V650-A653 PolarHBondContact O-N 2.95Å; V650-A653 VanDerWaalsContact O-N 3.15Å; A653-K655 PolarHBondContact O-N 2.85Å; A653-R656 PolarHBondContact O-N 3.46Å; A653-S657 PolarHBondContact O-N 2.89Å
654	H	93	Very high	85.5	Confident	9 Å²	9	70.9 Å²	70.9	4%	0.042	35%	0.354	C	S	.	.	H	α-helix	trans	-63.7	-42.5	177.6	-68	176.9	0	0	0	112	Y537 G595 P631 V650 R656 S657	Y537-H654 AromaticContact CD1-CD2 3.68Å; Y537-H654 AromaticContact CD1-CE1 3.67Å; Y537-H654 AromaticContact CD1-NE2 3.43Å; Y537-H654 WeakPolarHBondContact CD1-NE2 3.27Å; Y537-H654 HydrophobicContact CE1-CB 4.21Å; Y537-H654 AromaticContact CE1-CD2 3.63Å; Y537-H654 AromaticContact CE1-CG 3.73Å; Y537-H654 AromaticContact CE1-NE2 3.88Å; G595-H654 PolarHBondContact O-NE2 3.48Å; P631-H654 HydrophobicContact CB-CB 4.48Å; V650-H654 WeakPolarHBondContact CG1-CE1 3.03Å; V650-H654 WeakPolarHBondContact CG1-NE2 3.37Å; V650-H654 PolarHBondContact O-N 3.41Å; H654-R656 PolarHBondContact O-N 2.02Å; H654-S657 PolarHBondContact O-N 3.49Å; H654-S657 PolarHBondContact O-OG 2.81Å
655	K	89.3	Confident	85.3	Confident	145 Å²	145	74.7 Å²	74.7	63%	0.63	37%	0.372	S	S	*	.	H	α-helix	trans	-62.3	-38.3	176.1	-74.7	173.7	-176.9	179.1	0	113	Q651 R652 A653 S657 V658	Q651-K655 WeakPolarHBondContact O-CB 3.31Å; Q651-K655 VanDerWaalsContact O-CG 3.27Å; Q651-K655 WeakPolarHBondContact O-CG 3.38Å; Q651-K655 PolarHBondContact O-N 3.26Å; R652-K655 PolarHBondContact O-N 2.91Å; A653-K655 PolarHBondContact O-N 2.85Å; K655-S657 VanDerWaalsContact C-N 3.25Å; K655-S657 PolarHBondContact O-N 3.5Å; K655-V658 PolarHBondContact O-N 3.3Å
656	R	84.5	Confident	85.1	Confident	199 Å²	199	74.5 Å²	74.5	75%	0.751	36%	0.36	S	S	*	.	H	α-helix	trans	-66.5	-25.9	177.2	-74.3	175.5	-178.7	179.2	0.3	113.5	R652 A653 H654	R652-R656 WeakPolarHBondContact O-CG 3.39Å; R652-R656 PolarHBondContact O-N 3.24Å; R652-R656 VanDerWaalsContact O-N 3.08Å; A653-R656 PolarHBondContact O-N 3.46Å; H654-R656 PolarHBondContact O-N 2.02Å
657	S	71.2	Confident	84.4	Confident	56 Å²	56	78.6 Å²	78.6	39%	0.392	38%	0.381	S	S	.	.	H	α-helix	trans	-84.6	-13.7	-177.6	68.1	0	0	0	0	114.8	A653 H654 K655	A653-S657 PolarHBondContact O-N 2.89Å; H654-S657 PolarHBondContact O-N 3.49Å; H654-S657 PolarHBondContact O-OG 2.81Å; K655-S657 VanDerWaalsContact C-N 3.25Å; K655-S657 PolarHBondContact O-N 3.5Å
658	V	62.6	Low	83.6	Confident	104 Å²	104	84.6 Å²	84.6	63%	0.63	41%	0.409	S	S	*	.	H	α-helix	trans	-87.9	-23.7	179	178.8	0	0	0	0	111.6	K655	K655-V658 PolarHBondContact O-N 3.3Å
659	N	43.8	Very low	82.8	Confident	195 Å²	195	88.8 Å²	88.8	100%	1.043	43%	0.43	S	S	*	.			trans	-89.8	0	172.4	-65.1	-14.6	0	0	0	110.3

Retrieved 659 of 659 residues in 131.2 ms (Link to these results)

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