A0A087XEE6_POEFO Loading...

Polypeptide N-acetylgalactosaminyltransferase

AlphaFold DB , UniProt , Accession A0A087XEE6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 779 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	49.5	Very low	52.4	Low	238 Å²	238	168.8 Å²	168.8	100%	1.172	78%	0.782	S	S	*	*				0	63.8	0	-170	-171.4	-75.4	0	0	111.6
2	M	47.2	Very low	52.9	Low	172 Å²	172	159.2 Å²	159.2	85%	0.847	76%	0.763	S	S	*	*			trans	-139.7	-7.3	-174.1	-93.7	-162.9	-87.9	0	0	118.4
3	K	51.3	Low	53.5	Low	199 Å²	199	160.1 Å²	160.1	87%	0.865	75%	0.754	S	S	*	*	S	Bend	trans	-83.1	-30.9	178.9	-72.8	-174.1	175.3	-180	0	114.5	R5	K3-R5 PolarHBondContact O-N 2.9Å
4	V	55.4	Low	54.4	Low	116 Å²	116	153.6 Å²	153.6	70%	0.703	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-67.7	-36.5	-178.3	-177.5	0	0	0	0	112.8	R6 Y7	V4-R6 PolarHBondContact O-N 2.68Å; V4-Y7 PolarHBondContact O-N 3.22Å; V4-Y7 VanDerWaalsContact O-N 3.08Å
5	R	51.1	Low	54.9	Low	226 Å²	226	151.7 Å²	151.7	85%	0.853	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-63	-13.3	-177.1	-91	-175.2	172.1	176.4	-2.3	115.2	K3	K3-R5 PolarHBondContact O-N 2.9Å
6	R	51.7	Low	55.8	Low	230 Å²	230	145.4 Å²	145.4	87%	0.868	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-83.7	-17.8	173.9	-82.1	-171.5	175.8	178	-0.7	114.3	V4	V4-R6 PolarHBondContact O-N 2.68Å
7	Y	52.3	Low	57.1	Low	188 Å²	188	145.8 Å²	145.8	74%	0.737	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-15.2	-174.6	-114.5	-89.9	0	0	0	114.9	V4	V4-Y7 PolarHBondContact O-N 3.22Å; V4-Y7 VanDerWaalsContact O-N 3.08Å
8	L	54.1	Low	58.1	Low	101 Å²	101	142.4 Å²	142.4	53%	0.529	69%	0.693	S	S	.	*			trans	-106.1	22.9	-171	-63.8	174.4	0	0	0	114.3	G10 V14	L8-G10 PolarHBondContact O-N 3.03Å; L8-V14 HydrophobicContact CD2-CG2 4.48Å
9	R	54.5	Low	59	Low	246 Å²	246	142.6 Å²	142.6	93%	0.928	69%	0.691	S	S	*	*			trans	-96.5	69.4	179	-154.2	170.9	-167.3	166	3.3	111.8
10	G	52.5	Low	60.1	Low	35 Å²	35	139.4 Å²	139.4	36%	0.361	68%	0.68	S	S	.	*			trans	179	112.9	174.6	0	0	0	0	0	112.3	L8 G12 R13	L8-G10 PolarHBondContact O-N 3.03Å; G10-G12 PolarHBondContact O-N 2.69Å; G10-R13 PolarHBondContact O-N 3.1Å
11	S	57.4	Low	61	Low	106 Å²	106	135.5 Å²	135.5	74%	0.741	67%	0.67	S	S	*	*	H	α-helix	trans	-49	-51.6	-169.8	-179.2	0	0	0	0	113.8	R13 V14 L15	S11-R13 PolarHBondContact O-N 2.66Å; S11-R13 VanDerWaalsContact O-N 3.13Å; S11-V14 PolarHBondContact O-N 3.34Å; S11-V14 VanDerWaalsContact O-N 3.15Å; S11-L15 PolarHBondContact O-N 2.96Å
12	G	58.1	Low	62.2	Low	53 Å²	53	127.5 Å²	127.5	55%	0.546	64%	0.637	S	S	.	*	H	α-helix	trans	-61.5	-23.8	-177.8	0	0	0	0	0	115.3	G10 A16	G10-G12 PolarHBondContact O-N 2.69Å; G12-A16 WeakPolarHBondContact O-CB 3.06Å; G12-A16 PolarHBondContact O-N 3.03Å
13	R	60.1	Low	63.8	Low	171 Å²	171	122.3 Å²	122.3	65%	0.645	62%	0.615	S	S	*	*	H	α-helix	trans	-76.4	-35	177.4	-71.3	-174.5	176.5	176.5	-0.8	112.4	G10 S11 A16 F17	G10-R13 PolarHBondContact O-N 3.1Å; S11-R13 PolarHBondContact O-N 2.66Å; S11-R13 VanDerWaalsContact O-N 3.13Å; R13-A16 PolarHBondContact O-N 3.13Å; R13-F17 WeakPolarHBondContact O-CD2 3.37Å; R13-F17 PolarHBondContact O-N 3.32Å; R13-F17 VanDerWaalsContact O-N 3.17Å
14	V	66.3	Low	65.3	Low	69 Å²	69	116.8 Å²	116.8	42%	0.418	59%	0.594	S	S	.	*	H	α-helix	trans	-66.5	-43.5	172.5	-178.8	0	0	0	0	109.5	L8 S11 A16 F17 V18	L8-V14 HydrophobicContact CD2-CG2 4.48Å; S11-V14 PolarHBondContact O-N 3.34Å; S11-V14 VanDerWaalsContact O-N 3.15Å; V14-A16 VanDerWaalsContact C-N 3.32Å; V14-A16 PolarHBondContact O-N 3.47Å; V14-F17 PolarHBondContact O-N 2.84Å; V14-V18 WeakPolarHBondContact O-CG2 3.5Å; V14-V18 PolarHBondContact O-N 3.2Å
15	L	62.4	Low	66.3	Low	125 Å²	125	120.4 Å²	120.4	65%	0.654	60%	0.596	S	S	*	*	H	α-helix	trans	-59.8	-40.8	176.5	-144.6	78	0	0	0	112.2	S11 V18 F19	S11-L15 PolarHBondContact O-N 2.96Å; L15-V18 PolarHBondContact O-N 3.24Å; L15-F19 WeakPolarHBondContact O-CB 3.48Å; L15-F19 PolarHBondContact O-N 2.96Å
16	A	69.6	Low	67.4	Low	52 Å²	52	114.5 Å²	114.5	43%	0.43	58%	0.58	S	S	.	*	H	α-helix	trans	-63.1	-41.9	175.4	0	0	0	0	0	112.9	G12 R13 V14 F19 V20	G12-A16 WeakPolarHBondContact O-CB 3.06Å; G12-A16 PolarHBondContact O-N 3.03Å; R13-A16 PolarHBondContact O-N 3.13Å; V14-A16 VanDerWaalsContact C-N 3.32Å; V14-A16 PolarHBondContact O-N 3.47Å; A16-F19 PolarHBondContact O-N 3.18Å; A16-V20 WeakPolarHBondContact O-CB 3.17Å; A16-V20 VanDerWaalsContact O-CG2 3.31Å; A16-V20 WeakPolarHBondContact O-CG2 3.46Å; A16-V20 PolarHBondContact O-N 2.71Å
17	F	76.5	Confident	68.6	Low	152 Å²	152	108.6 Å²	108.6	67%	0.667	57%	0.565	S	S	*	*	H	α-helix	trans	-66.1	-39.6	175.1	-87	-69.8	0	0	0	112.7	R13 V14 A21	R13-F17 WeakPolarHBondContact O-CD2 3.37Å; R13-F17 PolarHBondContact O-N 3.32Å; R13-F17 VanDerWaalsContact O-N 3.17Å; V14-F17 PolarHBondContact O-N 2.84Å; F17-A21 WeakPolarHBondContact O-CB 3.15Å; F17-A21 PolarHBondContact O-N 2.88Å
18	V	75.9	Confident	69.8	Low	85 Å²	85	106.7 Å²	106.7	52%	0.515	56%	0.561	S	S	.	*	H	α-helix	trans	-63.6	-46.6	174.2	173.8	0	0	0	0	110.5	V14 L15 V20 A21 S22	V14-V18 WeakPolarHBondContact O-CG2 3.5Å; V14-V18 PolarHBondContact O-N 3.2Å; L15-V18 PolarHBondContact O-N 3.24Å; V18-V20 PolarHBondContact O-N 3.25Å; V18-A21 PolarHBondContact O-N 2.74Å; V18-S22 PolarHBondContact O-N 3.24Å; V18-S22 PolarHBondContact O-OG 3.11Å; V18-S22 VanDerWaalsContact O-OG 3.13Å
19	F	76.1	Confident	70.7	Confident	146 Å²	146	106.2 Å²	106.2	64%	0.64	56%	0.559	S	S	*	*	H	α-helix	trans	-60.3	-46.2	177.9	-177.2	-98.1	0	0	0	112.4	L15 A16 A21 S22 V23	L15-F19 WeakPolarHBondContact O-CB 3.48Å; L15-F19 PolarHBondContact O-N 2.96Å; A16-F19 PolarHBondContact O-N 3.18Å; F19-A21 VanDerWaalsContact C-N 3.35Å; F19-A21 PolarHBondContact O-N 2.96Å; F19-S22 PolarHBondContact O-N 3.5Å; F19-V23 HydrophobicContact CD1-CG2 4.26Å; F19-V23 HydrophobicContact CE1-CG2 3.89Å; F19-V23 HydrophobicContact CE2-CG2 4.4Å; F19-V23 HydrophobicContact CZ-CG2 3.97Å; F19-V23 WeakPolarHBondContact O-CG2 3.34Å; F19-V23 PolarHBondContact O-N 2.71Å
20	V	79.4	Confident	71.5	Confident	78 Å²	78	100.2 Å²	100.2	47%	0.473	54%	0.543	S	S	.	.	H	α-helix	trans	-62.5	-41.4	176.1	169.2	0	0	0	0	111.2	A16 V18 V23 I24	A16-V20 WeakPolarHBondContact O-CB 3.17Å; A16-V20 VanDerWaalsContact O-CG2 3.31Å; A16-V20 WeakPolarHBondContact O-CG2 3.46Å; A16-V20 PolarHBondContact O-N 2.71Å; V18-V20 PolarHBondContact O-N 3.25Å; V20-V23 PolarHBondContact O-N 2.8Å; V20-I24 HydrophobicContact CG1-CD1 3.74Å; V20-I24 HydrophobicContact CG1-CG1 4.46Å; V20-I24 WeakPolarHBondContact O-CB 3.28Å; V20-I24 VanDerWaalsContact O-CG1 3.25Å; V20-I24 WeakPolarHBondContact O-CG1 3.4Å; V20-I24 PolarHBondContact O-N 2.9Å
21	A	79.7	Confident	72.4	Confident	58 Å²	58	100.8 Å²	100.8	48%	0.479	55%	0.545	S	S	.	.	H	α-helix	trans	-63.4	-42.7	175.1	0	0	0	0	0	112.3	F17 V18 F19 I24 W25	F17-A21 WeakPolarHBondContact O-CB 3.15Å; F17-A21 PolarHBondContact O-N 2.88Å; V18-A21 PolarHBondContact O-N 2.74Å; F19-A21 VanDerWaalsContact C-N 3.35Å; F19-A21 PolarHBondContact O-N 2.96Å; A21-I24 PolarHBondContact O-N 3.24Å; A21-W25 WeakPolarHBondContact O-CB 3.18Å; A21-W25 PolarHBondContact O-N 2.83Å
22	S	74.8	Confident	73	Confident	69 Å²	69	98.4 Å²	98.4	48%	0.483	53%	0.531	S	S	.	.	H	α-helix	trans	-63.5	-41.9	175.6	-63	0	0	0	0	112.6	V18 F19 W25 L26	V18-S22 PolarHBondContact O-N 3.24Å; V18-S22 PolarHBondContact O-OG 3.11Å; V18-S22 VanDerWaalsContact O-OG 3.13Å; F19-S22 PolarHBondContact O-N 3.5Å; S22-W25 PolarHBondContact O-N 2.92Å; S22-L26 WeakPolarHBondContact O-CB 3.29Å; S22-L26 PolarHBondContact O-N 2.72Å
23	V	81.6	Confident	73.3	Confident	63 Å²	63	101 Å²	101	38%	0.382	53%	0.532	S	S	.	.	H	α-helix	trans	-65.4	-42.5	175.9	170.3	0	0	0	0	111.2	F19 V20 L26 L27	F19-V23 HydrophobicContact CD1-CG2 4.26Å; F19-V23 HydrophobicContact CE1-CG2 3.89Å; F19-V23 HydrophobicContact CE2-CG2 4.4Å; F19-V23 HydrophobicContact CZ-CG2 3.97Å; F19-V23 WeakPolarHBondContact O-CG2 3.34Å; F19-V23 PolarHBondContact O-N 2.71Å; V20-V23 PolarHBondContact O-N 2.8Å; V23-L26 PolarHBondContact O-N 2.92Å; V23-L27 HydrophobicContact CG1-CD1 4.06Å; V23-L27 WeakPolarHBondContact O-CB 3.16Å; V23-L27 VanDerWaalsContact O-CG 3.28Å; V23-L27 WeakPolarHBondContact O-CG 3.48Å; V23-L27 PolarHBondContact O-N 2.8Å
24	I	81.9	Confident	73.4	Confident	83 Å²	83	101.4 Å²	101.4	43%	0.426	53%	0.534	S	S	.	.	H	α-helix	trans	-61.8	-44.5	175	-71.7	167.8	0	0	0	110.8	V20 A21 L27 F28	V20-I24 HydrophobicContact CG1-CD1 3.74Å; V20-I24 HydrophobicContact CG1-CG1 4.46Å; V20-I24 WeakPolarHBondContact O-CB 3.28Å; V20-I24 VanDerWaalsContact O-CG1 3.25Å; V20-I24 WeakPolarHBondContact O-CG1 3.4Å; V20-I24 PolarHBondContact O-N 2.9Å; A21-I24 PolarHBondContact O-N 3.24Å; I24-L27 PolarHBondContact O-N 2.89Å; I24-F28 HydrophobicContact CG2-CD2 3.81Å; I24-F28 HydrophobicContact CG2-CE2 3.75Å; I24-F28 VanDerWaalsContact O-CD2 3.31Å; I24-F28 WeakPolarHBondContact O-CD2 3.3Å; I24-F28 PolarHBondContact O-N 3.07Å
25	W	75.9	Confident	73.1	Confident	193 Å²	193	104.4 Å²	104.4	73%	0.731	55%	0.545	S	S	*	.	H	α-helix	trans	-63.5	-42.8	178.9	-163.5	74.5	0	0	0	112.1	A21 S22 L27 F28 D29	A21-W25 WeakPolarHBondContact O-CB 3.18Å; A21-W25 PolarHBondContact O-N 2.83Å; S22-W25 PolarHBondContact O-N 2.92Å; W25-L27 VanDerWaalsContact C-N 3.35Å; W25-L27 PolarHBondContact O-N 2.79Å; W25-F28 PolarHBondContact O-N 2.93Å; W25-D29 PolarHBondContact O-N 3.2Å
26	L	74.7	Confident	73	Confident	101 Å²	101	101.8 Å²	101.8	53%	0.529	54%	0.537	S	S	.	.	H	α-helix	trans	-66.4	-34.7	176.6	-162.8	153	0	0	0	112.1	S22 V23 D29 M30	S22-L26 WeakPolarHBondContact O-CB 3.29Å; S22-L26 PolarHBondContact O-N 2.72Å; V23-L26 PolarHBondContact O-N 2.92Å; L26-D29 PolarHBondContact O-N 3.23Å; L26-M30 HydrophobicContact CD2-CG 4.08Å; L26-M30 HydrophobicContact CD2-SD 3.81Å; L26-M30 WeakPolarHBondContact O-CB 3.45Å; L26-M30 WeakPolarHBondContact O-CG 3.32Å; L26-M30 PolarHBondContact O-N 2.67Å
27	L	76.6	Confident	72.5	Confident	107 Å²	107	103.4 Å²	103.4	56%	0.56	54%	0.537	S	S	*	.	H	α-helix	trans	-67	-37.3	171.7	-73.5	169.4	0	0	0	112.7	V23 I24 W25 A31	V23-L27 HydrophobicContact CG1-CD1 4.06Å; V23-L27 WeakPolarHBondContact O-CB 3.16Å; V23-L27 VanDerWaalsContact O-CG 3.28Å; V23-L27 WeakPolarHBondContact O-CG 3.48Å; V23-L27 PolarHBondContact O-N 2.8Å; I24-L27 PolarHBondContact O-N 2.89Å; W25-L27 VanDerWaalsContact C-N 3.35Å; W25-L27 PolarHBondContact O-N 2.79Å; L27-A31 WeakPolarHBondContact O-CB 3.46Å; L27-A31 PolarHBondContact O-N 3.27Å
28	F	78.2	Confident	71.6	Confident	148 Å²	148	100.8 Å²	100.8	65%	0.649	53%	0.53	S	S	*	.	H	α-helix	trans	-66.2	-41.4	172	-87.4	-69.4	0	0	0	112.1	I24 W25 A31 A32	I24-F28 HydrophobicContact CG2-CD2 3.81Å; I24-F28 HydrophobicContact CG2-CE2 3.75Å; I24-F28 VanDerWaalsContact O-CD2 3.31Å; I24-F28 WeakPolarHBondContact O-CD2 3.3Å; I24-F28 PolarHBondContact O-N 3.07Å; W25-F28 PolarHBondContact O-N 2.93Å; F28-A31 WeakPolarHBondContact O-CB 3.2Å; F28-A31 PolarHBondContact O-N 3Å; F28-A32 PolarHBondContact O-N 2.97Å
29	D	73.3	Confident	70.7	Confident	91 Å²	91	101.5 Å²	101.5	49%	0.487	53%	0.531	S	S	.	.	H	α-helix	trans	-65.9	-44	178	-165.5	46.9	0	0	0	111.5	W25 L26 A31 A32 L33	W25-D29 PolarHBondContact O-N 3.2Å; L26-D29 PolarHBondContact O-N 3.23Å; D29-A31 VanDerWaalsContact C-N 3.29Å; D29-A31 PolarHBondContact O-N 2.85Å; D29-A32 PolarHBondContact O-N 3.06Å; D29-L33 WeakPolarHBondContact O-CB 3.48Å; D29-L33 PolarHBondContact O-N 2.71Å
30	M	70.6	Confident	70	Confident	119 Å²	119	98.1 Å²	98.1	59%	0.586	52%	0.522	S	S	*	.	H	α-helix	trans	-60.9	-34.9	171.1	-73.5	-172	76.2	0	0	113	L26 R34	L26-M30 HydrophobicContact CD2-CG 4.08Å; L26-M30 HydrophobicContact CD2-SD 3.81Å; L26-M30 WeakPolarHBondContact O-CB 3.45Å; L26-M30 WeakPolarHBondContact O-CG 3.32Å; L26-M30 PolarHBondContact O-N 2.67Å; M30-R34 VanDerWaalsContact O-CB 3.3Å; M30-R34 WeakPolarHBondContact O-CB 3.48Å; M30-R34 PolarHBondContact O-N 3.24Å
31	A	71.4	Confident	68.9	Low	48 Å²	48	98.3 Å²	98.3	40%	0.397	52%	0.52	S	S	.	.	H	α-helix	trans	-69	-44.1	174.8	0	0	0	0	0	111.8	L27 F28 D29 R34 M35	L27-A31 WeakPolarHBondContact O-CB 3.46Å; L27-A31 PolarHBondContact O-N 3.27Å; F28-A31 WeakPolarHBondContact O-CB 3.2Å; F28-A31 PolarHBondContact O-N 3Å; D29-A31 VanDerWaalsContact C-N 3.29Å; D29-A31 PolarHBondContact O-N 2.85Å; A31-R34 PolarHBondContact O-N 3.31Å; A31-M35 WeakPolarHBondContact O-CG 3.15Å; A31-M35 PolarHBondContact O-N 3.46Å
32	A	70.2	Confident	68	Low	55 Å²	55	97.5 Å²	97.5	46%	0.455	51%	0.512	S	S	.	.	H	α-helix	trans	-62.1	-45.3	175.9	0	0	0	0	0	111.8	F28 D29 R34 M35 S36	F28-A32 PolarHBondContact O-N 2.97Å; D29-A32 PolarHBondContact O-N 3.06Å; A32-R34 VanDerWaalsContact C-N 3.32Å; A32-R34 PolarHBondContact O-N 2.87Å; A32-M35 PolarHBondContact O-N 2.88Å; A32-S36 PolarHBondContact O-N 2.72Å
33	L	63.6	Low	67.3	Low	108 Å²	108	100.1 Å²	100.1	57%	0.565	52%	0.516	S	S	*	.	H	α-helix	trans	-59.9	-42.7	175.4	-156.9	83.7	0	0	0	111.3	D29 S36 I37	D29-L33 WeakPolarHBondContact O-CB 3.48Å; D29-L33 PolarHBondContact O-N 2.71Å; L33-S36 PolarHBondContact O-N 2.85Å; L33-I37 HydrophobicContact CD2-CD1 4.33Å; L33-I37 HydrophobicContact CG-CD1 4.19Å; L33-I37 WeakPolarHBondContact O-CB 3.48Å; L33-I37 WeakPolarHBondContact O-CD1 3.4Å; L33-I37 VanDerWaalsContact O-CG1 3.27Å; L33-I37 WeakPolarHBondContact O-CG1 3.34Å; L33-I37 PolarHBondContact O-N 3.44Å
34	R	63.4	Low	66.3	Low	180 Å²	180	101.8 Å²	101.8	68%	0.679	52%	0.522	S	S	*	.	H	α-helix	trans	-66.9	-35.6	177.1	-169.6	178.9	-174.8	-164.6	2.1	112.7	M30 A31 A32 N38	M30-R34 VanDerWaalsContact O-CB 3.3Å; M30-R34 WeakPolarHBondContact O-CB 3.48Å; M30-R34 PolarHBondContact O-N 3.24Å; A31-R34 PolarHBondContact O-N 3.31Å; A32-R34 VanDerWaalsContact C-N 3.32Å; A32-R34 PolarHBondContact O-N 2.87Å; R34-N38 WeakPolarHBondContact O-CB 3.31Å; R34-N38 VanDerWaalsContact O-CG 3.3Å; R34-N38 PolarHBondContact O-N 2.93Å; R34-N38 VanDerWaalsContact O-N 3.07Å
35	M	60.2	Low	65.2	Low	132 Å²	132	102.1 Å²	102.1	65%	0.65	53%	0.528	S	S	*	.	H	α-helix	trans	-67.3	-45.6	173	-72.8	179	66.3	0	0	111.2	A31 A32 I37 N38 D39	A31-M35 WeakPolarHBondContact O-CG 3.15Å; A31-M35 PolarHBondContact O-N 3.46Å; A32-M35 PolarHBondContact O-N 2.88Å; M35-I37 PolarHBondContact O-N 3.45Å; M35-N38 WeakPolarHBondContact O-CB 3.37Å; M35-N38 PolarHBondContact O-N 3.12Å; M35-N38 VanDerWaalsContact O-N 3.13Å; M35-D39 PolarHBondContact O-N 3.2Å
36	S	59.7	Low	64.6	Low	70 Å²	70	98.9 Å²	98.9	49%	0.49	52%	0.519	S	S	.	.	H	α-helix	trans	-58.2	-46.6	175.3	-179	0	0	0	0	112.4	A32 L33 N38 D39 V40	A32-S36 PolarHBondContact O-N 2.72Å; L33-S36 PolarHBondContact O-N 2.85Å; S36-N38 VanDerWaalsContact C-N 3.3Å; S36-N38 PolarHBondContact O-N 3.06Å; S36-D39 PolarHBondContact O-N 2.91Å; S36-V40 WeakPolarHBondContact O-CG2 3.4Å; S36-V40 PolarHBondContact O-N 3.2Å
37	I	59.5	Low	64.3	Low	85 Å²	85	98.7 Å²	98.7	44%	0.436	52%	0.515	S	S	.	.	H	α-helix	trans	-62	-37.2	176.1	-70	164.6	0	0	0	111.4	L33 M35 N41	L33-I37 HydrophobicContact CD2-CD1 4.33Å; L33-I37 HydrophobicContact CG-CD1 4.19Å; L33-I37 WeakPolarHBondContact O-CB 3.48Å; L33-I37 WeakPolarHBondContact O-CD1 3.4Å; L33-I37 VanDerWaalsContact O-CG1 3.27Å; L33-I37 WeakPolarHBondContact O-CG1 3.34Å; L33-I37 PolarHBondContact O-N 3.44Å; M35-I37 PolarHBondContact O-N 3.45Å; I37-N41 WeakPolarHBondContact CG2-ND2 3.4Å; I37-N41 WeakPolarHBondContact O-CB 3.49Å; I37-N41 PolarHBondContact O-N 2.96Å; I37-N41 PolarHBondContact O-ND2 3.04Å
38	N	57.7	Low	63.6	Low	98 Å²	98	101.6 Å²	101.6	52%	0.524	52%	0.519	S	S	.	.	H	α-helix	trans	-68.6	-37.9	175.3	-78.6	-12.4	0	0	0	112.5	R34 M35 S36 N41 S42	R34-N38 WeakPolarHBondContact O-CB 3.31Å; R34-N38 VanDerWaalsContact O-CG 3.3Å; R34-N38 PolarHBondContact O-N 2.93Å; R34-N38 VanDerWaalsContact O-N 3.07Å; M35-N38 WeakPolarHBondContact O-CB 3.37Å; M35-N38 PolarHBondContact O-N 3.12Å; M35-N38 VanDerWaalsContact O-N 3.13Å; S36-N38 VanDerWaalsContact C-N 3.3Å; S36-N38 PolarHBondContact O-N 3.06Å; N38-N41 PolarHBondContact O-N 3.41Å; N38-S42 VanDerWaalsContact O-CB 3.22Å; N38-S42 WeakPolarHBondContact O-CB 3.24Å; N38-S42 PolarHBondContact O-N 2.72Å
39	D	57.2	Low	63.1	Low	99 Å²	99	97.4 Å²	97.4	53%	0.529	51%	0.506	S	S	.	.	H	α-helix	trans	-70.9	-38.4	176.2	-92.7	-36	0	0	0	112.7	M35 S36 S42 Q43	M35-D39 PolarHBondContact O-N 3.2Å; S36-D39 PolarHBondContact O-N 2.91Å; D39-S42 WeakPolarHBondContact O-CB 3.45Å; D39-S42 PolarHBondContact O-N 2.98Å; D39-Q43 WeakPolarHBondContact O-CG 3.32Å; D39-Q43 PolarHBondContact O-N 3.4Å
40	V	60.6	Low	63.2	Low	75 Å²	75	97.4 Å²	97.4	46%	0.455	50%	0.504	S	S	.	.	H	α-helix	trans	-62.8	-44	172.3	173.4	0	0	0	0	110.7	S36 S42 Q43 L44	S36-V40 WeakPolarHBondContact O-CG2 3.4Å; S36-V40 PolarHBondContact O-N 3.2Å; V40-S42 VanDerWaalsContact C-N 3.34Å; V40-S42 PolarHBondContact O-N 3.09Å; V40-Q43 PolarHBondContact O-N 3.43Å; V40-L44 HydrophobicContact CG1-CD1 4.01Å; V40-L44 HydrophobicContact CG1-CG 4.49Å; V40-L44 WeakPolarHBondContact O-CB 3.3Å; V40-L44 WeakPolarHBondContact O-CG 3.37Å; V40-L44 PolarHBondContact O-N 3.37Å
41	N	56.2	Low	62.9	Low	82 Å²	82	98.4 Å²	98.4	44%	0.439	50%	0.502	S	S	.	.	H	α-helix	trans	-64.8	-36.9	173.9	-76.7	-52.6	0	0	0	112.5	I37 N38 L44 V45	I37-N41 WeakPolarHBondContact CG2-ND2 3.4Å; I37-N41 WeakPolarHBondContact O-CB 3.49Å; I37-N41 PolarHBondContact O-N 2.96Å; I37-N41 PolarHBondContact O-ND2 3.04Å; N38-N41 PolarHBondContact O-N 3.41Å; N41-L44 PolarHBondContact O-N 2.78Å; N41-V45 WeakPolarHBondContact O-CB 3.44Å; N41-V45 VanDerWaalsContact O-CG2 3.28Å; N41-V45 WeakPolarHBondContact O-CG2 3.4Å; N41-V45 PolarHBondContact O-N 2.87Å
42	S	61.1	Low	62.6	Low	42 Å²	42	101.2 Å²	101.2	29%	0.294	51%	0.507	S	S	.	.	H	α-helix	trans	-61.7	-42.3	173.5	177.5	0	0	0	0	111.8	N38 D39 V40 K46	N38-S42 VanDerWaalsContact O-CB 3.22Å; N38-S42 WeakPolarHBondContact O-CB 3.24Å; N38-S42 PolarHBondContact O-N 2.72Å; D39-S42 WeakPolarHBondContact O-CB 3.45Å; D39-S42 PolarHBondContact O-N 2.98Å; V40-S42 VanDerWaalsContact C-N 3.34Å; V40-S42 PolarHBondContact O-N 3.09Å; S42-K46 WeakPolarHBondContact O-CB 3.2Å; S42-K46 VanDerWaalsContact O-CG 3.25Å; S42-K46 WeakPolarHBondContact O-CG 3.33Å; S42-K46 PolarHBondContact O-N 3.39Å
43	Q	60.2	Low	62.3	Low	124 Å²	124	104.7 Å²	104.7	58%	0.579	51%	0.512	S	S	*	.	H	α-helix	trans	-67.2	-46.6	174.2	-72.4	-176.9	0.8	0	0	111.9	D39 V40 V45 K46 E47	D39-Q43 WeakPolarHBondContact O-CG 3.32Å; D39-Q43 PolarHBondContact O-N 3.4Å; V40-Q43 PolarHBondContact O-N 3.43Å; Q43-V45 VanDerWaalsContact C-N 3.31Å; Q43-V45 PolarHBondContact O-N 3.22Å; Q43-K46 WeakPolarHBondContact O-CB 3.47Å; Q43-K46 PolarHBondContact O-N 3.38Å; Q43-K46 VanDerWaalsContact O-N 3.14Å; Q43-E47 PolarHBondContact O-N 3.32Å
44	L	60	Low	62.5	Low	97 Å²	97	104.5 Å²	104.5	51%	0.508	51%	0.508	S	S	.	.	H	α-helix	trans	-62	-35.9	177.2	-71.6	169.9	0	0	0	112.8	V40 N41 R48	V40-L44 HydrophobicContact CG1-CD1 4.01Å; V40-L44 HydrophobicContact CG1-CG 4.49Å; V40-L44 WeakPolarHBondContact O-CB 3.3Å; V40-L44 WeakPolarHBondContact O-CG 3.37Å; V40-L44 PolarHBondContact O-N 3.37Å; N41-L44 PolarHBondContact O-N 2.78Å; L44-R48 WeakPolarHBondContact O-CB 3.44Å; L44-R48 PolarHBondContact O-N 3.14Å
45	V	58.1	Low	62.6	Low	91 Å²	91	100 Å²	100	55%	0.552	50%	0.496	S	S	*	.	H	α-helix	trans	-70.6	-41.9	172.9	169.7	0	0	0	0	111.2	N41 Q43 R48 V49	N41-V45 WeakPolarHBondContact O-CB 3.44Å; N41-V45 VanDerWaalsContact O-CG2 3.28Å; N41-V45 WeakPolarHBondContact O-CG2 3.4Å; N41-V45 PolarHBondContact O-N 2.87Å; Q43-V45 VanDerWaalsContact C-N 3.31Å; Q43-V45 PolarHBondContact O-N 3.22Å; V45-R48 PolarHBondContact O-N 3.02Å; V45-V49 HydrophobicContact CG1-CG2 4.48Å; V45-V49 WeakPolarHBondContact O-CB 3.47Å; V45-V49 WeakPolarHBondContact O-CG2 3.36Å; V45-V49 PolarHBondContact O-N 3.08Å
46	K	63.4	Low	62.7	Low	125 Å²	125	100.4 Å²	100.4	54%	0.543	50%	0.498	S	S	.	.	H	α-helix	trans	-60.8	-46.2	173.8	-77.5	167.6	-177.7	169.5	0	111.7	S42 Q43 V49 I50	S42-K46 WeakPolarHBondContact O-CB 3.2Å; S42-K46 VanDerWaalsContact O-CG 3.25Å; S42-K46 WeakPolarHBondContact O-CG 3.33Å; S42-K46 PolarHBondContact O-N 3.39Å; Q43-K46 WeakPolarHBondContact O-CB 3.47Å; Q43-K46 PolarHBondContact O-N 3.38Å; Q43-K46 VanDerWaalsContact O-N 3.14Å; K46-V49 PolarHBondContact O-N 2.86Å; K46-I50 WeakPolarHBondContact O-CB 3.24Å; K46-I50 WeakPolarHBondContact O-CD1 3.42Å; K46-I50 VanDerWaalsContact O-CG1 3.3Å; K46-I50 WeakPolarHBondContact O-CG1 3.5Å; K46-I50 PolarHBondContact O-N 2.83Å
47	E	68.7	Low	62.8	Low	96 Å²	96	103.3 Å²	103.3	45%	0.449	51%	0.506	S	S	.	.	H	α-helix	trans	-58.4	-46.6	173.8	-85.4	-163.4	-152.9	0	0	111.8	Q43 V49 I50 R51	Q43-E47 PolarHBondContact O-N 3.32Å; E47-V49 VanDerWaalsContact C-N 3.34Å; E47-V49 PolarHBondContact O-N 3.14Å; E47-I50 PolarHBondContact O-N 2.85Å; E47-R51 WeakPolarHBondContact O-CB 3.44Å; E47-R51 PolarHBondContact O-N 3.11Å; E47-R51 IonicContact OE2-NH2 2.72Å; E47-R51 PolarHBondContact OE2-NH2 2.66Å
48	R	63.3	Low	62.8	Low	169 Å²	169	105.5 Å²	105.5	64%	0.638	52%	0.515	S	S	*	.	H	α-helix	trans	-59.1	-45.6	176.7	-176.2	178.8	-66.4	-169.7	-0.8	111.3	L44 V45 I50 R51 E52	L44-R48 WeakPolarHBondContact O-CB 3.44Å; L44-R48 PolarHBondContact O-N 3.14Å; V45-R48 PolarHBondContact O-N 3.02Å; R48-I50 VanDerWaalsContact C-N 3.35Å; R48-I50 PolarHBondContact O-N 2.8Å; R48-R51 PolarHBondContact O-N 3.23Å; R48-E52 HydrophobicContact CG-CG 4.37Å; R48-E52 WeakPolarHBondContact CG-OE1 3.44Å; R48-E52 WeakPolarHBondContact O-CB 3.38Å; R48-E52 VanDerWaalsContact O-CG 3.3Å; R48-E52 WeakPolarHBondContact O-CG 3.42Å; R48-E52 PolarHBondContact O-N 2.91Å
49	V	67.8	Low	62.9	Low	60 Å²	60	107.3 Å²	107.3	36%	0.364	52%	0.519	S	S	.	.	H	α-helix	trans	-67.4	-32.8	178.5	171.1	0	0	0	0	112.3	V45 K46 E47 K53	V45-V49 HydrophobicContact CG1-CG2 4.48Å; V45-V49 WeakPolarHBondContact O-CB 3.47Å; V45-V49 WeakPolarHBondContact O-CG2 3.36Å; V45-V49 PolarHBondContact O-N 3.08Å; K46-V49 PolarHBondContact O-N 2.86Å; E47-V49 VanDerWaalsContact C-N 3.34Å; E47-V49 PolarHBondContact O-N 3.14Å; V49-K53 HydrophobicContact CG1-CD 4.39Å; V49-K53 WeakPolarHBondContact O-CB 3.41Å; V49-K53 VanDerWaalsContact O-CG 3.26Å; V49-K53 WeakPolarHBondContact O-CG 3.42Å; V49-K53 PolarHBondContact O-N 3.3Å
50	I	73.4	Confident	62.9	Low	90 Å²	90	109.4 Å²	109.4	46%	0.462	52%	0.523	S	S	.	.	H	α-helix	trans	-66.7	-50.9	171.5	-72.7	158.9	0	0	0	109.7	K46 E47 R48 E52 K53 E54	K46-I50 WeakPolarHBondContact O-CB 3.24Å; K46-I50 WeakPolarHBondContact O-CD1 3.42Å; K46-I50 VanDerWaalsContact O-CG1 3.3Å; K46-I50 WeakPolarHBondContact O-CG1 3.5Å; K46-I50 PolarHBondContact O-N 2.83Å; E47-I50 PolarHBondContact O-N 2.85Å; R48-I50 VanDerWaalsContact C-N 3.35Å; R48-I50 PolarHBondContact O-N 2.8Å; I50-E52 VanDerWaalsContact C-N 3.32Å; I50-E52 PolarHBondContact O-N 3.24Å; I50-K53 CarbonylContact O-C 3.58Å; I50-K53 WeakPolarHBondContact O-CA 3.24Å; I50-K53 WeakPolarHBondContact O-CB 3.32Å; I50-K53 PolarHBondContact O-N 2.85Å; I50-E54 HydrophobicContact CG2-CG 4.37Å; I50-E54 WeakPolarHBondContact O-CG 3.34Å; I50-E54 PolarHBondContact O-N 3.33Å
51	R	65.6	Low	62.6	Low	141 Å²	141	111.7 Å²	111.7	53%	0.532	53%	0.529	S	S	.	.	H	α-helix	trans	-61.5	-38.1	179.8	-140.8	176.7	-60.8	-171.3	1.8	112.2	E47 R48 E54 I55	E47-R51 WeakPolarHBondContact O-CB 3.44Å; E47-R51 PolarHBondContact O-N 3.11Å; E47-R51 IonicContact OE2-NH2 2.72Å; E47-R51 PolarHBondContact OE2-NH2 2.66Å; R48-R51 PolarHBondContact O-N 3.23Å; R51-E54 PolarHBondContact O-N 3.33Å; R51-I55 WeakPolarHBondContact O-CB 3.41Å; R51-I55 WeakPolarHBondContact O-CD1 3.34Å; R51-I55 WeakPolarHBondContact O-CG1 3.37Å; R51-I55 PolarHBondContact O-N 3Å
52	E	64.1	Low	62.4	Low	107 Å²	107	113.1 Å²	113.1	50%	0.5	53%	0.533	S	S	.	.	H	α-helix	trans	-66.1	-39.4	172.1	-77.1	172.9	-171.1	0	0	112.1	R48 I50 M56	R48-E52 HydrophobicContact CG-CG 4.37Å; R48-E52 WeakPolarHBondContact CG-OE1 3.44Å; R48-E52 WeakPolarHBondContact O-CB 3.38Å; R48-E52 VanDerWaalsContact O-CG 3.3Å; R48-E52 WeakPolarHBondContact O-CG 3.42Å; R48-E52 PolarHBondContact O-N 2.91Å; I50-E52 VanDerWaalsContact C-N 3.32Å; I50-E52 PolarHBondContact O-N 3.24Å; E52-M56 VanDerWaalsContact O-CB 3.29Å; E52-M56 WeakPolarHBondContact O-CB 3.06Å; E52-M56 PolarHBondContact O-N 2.96Å
53	K	64.1	Low	62	Low	128 Å²	128	116.5 Å²	116.5	56%	0.557	54%	0.544	S	S	*	.	H	α-helix	trans	-67.1	-38.1	172.9	-78.6	173.8	179.4	-179.9	0	112.5	V49 I50 M56 M57	V49-K53 HydrophobicContact CG1-CD 4.39Å; V49-K53 WeakPolarHBondContact O-CB 3.41Å; V49-K53 VanDerWaalsContact O-CG 3.26Å; V49-K53 WeakPolarHBondContact O-CG 3.42Å; V49-K53 PolarHBondContact O-N 3.3Å; I50-K53 CarbonylContact O-C 3.58Å; I50-K53 WeakPolarHBondContact O-CA 3.24Å; I50-K53 WeakPolarHBondContact O-CB 3.32Å; I50-K53 PolarHBondContact O-N 2.85Å; K53-M56 CarbonylContact O-C 3.42Å; K53-M56 WeakPolarHBondContact O-CB 3.46Å; K53-M56 PolarHBondContact O-N 2.78Å; K53-M57 WeakPolarHBondContact O-CB 3.39Å; K53-M57 WeakPolarHBondContact O-CG 3.16Å; K53-M57 PolarHBondContact O-N 2.92Å
54	E	68.9	Low	61.2	Low	103 Å²	103	116.2 Å²	116.2	48%	0.481	54%	0.543	S	S	.	.	H	α-helix	trans	-64.5	-47.1	174.6	-71.7	167.5	162.5	0	0	110.8	I50 R51 M56 M57 M58	I50-E54 HydrophobicContact CG2-CG 4.37Å; I50-E54 WeakPolarHBondContact O-CG 3.34Å; I50-E54 PolarHBondContact O-N 3.33Å; R51-E54 PolarHBondContact O-N 3.33Å; E54-M56 VanDerWaalsContact C-N 3.27Å; E54-M56 PolarHBondContact O-N 3.08Å; E54-M57 PolarHBondContact O-N 2.91Å; E54-M57 VanDerWaalsContact O-N 3.14Å; E54-M58 WeakPolarHBondContact O-CG 3.42Å; E54-M58 PolarHBondContact O-N 3Å
55	I	64.3	Low	60.5	Low	87 Å²	87	118 Å²	118	45%	0.446	55%	0.548	S	S	.	.	H	α-helix	trans	-59.2	-38.8	172.1	-69.9	163.9	0	0	0	111	R51 K59	R51-I55 WeakPolarHBondContact O-CB 3.41Å; R51-I55 WeakPolarHBondContact O-CD1 3.34Å; R51-I55 WeakPolarHBondContact O-CG1 3.37Å; R51-I55 PolarHBondContact O-N 3Å; I55-K59 HydrophobicContact CG2-CD 4.24Å; I55-K59 WeakPolarHBondContact O-CB 3.38Å; I55-K59 VanDerWaalsContact O-CG 3.31Å; I55-K59 WeakPolarHBondContact O-CG 3.4Å; I55-K59 PolarHBondContact O-N 3.02Å
56	M	62.4	Low	60	Low	140 Å²	140	118.2 Å²	118.2	69%	0.69	54%	0.543	S	S	*	.	H	α-helix	trans	-68.3	-37.4	175.9	-164.7	-177.5	-162.4	0	0	112.2	E52 K53 E54 K60	E52-M56 VanDerWaalsContact O-CB 3.29Å; E52-M56 WeakPolarHBondContact O-CB 3.06Å; E52-M56 PolarHBondContact O-N 2.96Å; K53-M56 CarbonylContact O-C 3.42Å; K53-M56 WeakPolarHBondContact O-CB 3.46Å; K53-M56 PolarHBondContact O-N 2.78Å; E54-M56 VanDerWaalsContact C-N 3.27Å; E54-M56 PolarHBondContact O-N 3.08Å; M56-K60 VanDerWaalsContact O-CB 3.29Å; M56-K60 WeakPolarHBondContact O-CB 3.3Å; M56-K60 PolarHBondContact O-N 2.8Å
57	M	61.8	Low	59	Low	130 Å²	130	118 Å²	118	64%	0.64	54%	0.544	S	S	*	.	H	α-helix	trans	-70.3	-42.9	174.7	-74.5	-166	-173.1	0	0	112.1	K53 E54 K60 Q61	K53-M57 WeakPolarHBondContact O-CB 3.39Å; K53-M57 WeakPolarHBondContact O-CG 3.16Å; K53-M57 PolarHBondContact O-N 2.92Å; E54-M57 PolarHBondContact O-N 2.91Å; E54-M57 VanDerWaalsContact O-N 3.14Å; M57-K60 CarbonylContact O-C 3.57Å; M57-K60 WeakPolarHBondContact O-CB 3.11Å; M57-K60 PolarHBondContact O-N 2.65Å; M57-K60 VanDerWaalsContact O-N 3.13Å; M57-Q61 WeakPolarHBondContact O-CG 3.41Å; M57-Q61 PolarHBondContact O-N 3.2Å
58	M	60.4	Low	57.7	Low	131 Å²	131	118.2 Å²	118.2	65%	0.645	55%	0.547	S	S	*	.	H	α-helix	trans	-59.5	-47.5	173.1	-74.1	-174.3	175.2	0	0	111	E54 K60 Q61 Q62	E54-M58 WeakPolarHBondContact O-CG 3.42Å; E54-M58 PolarHBondContact O-N 3Å; M58-K60 VanDerWaalsContact C-N 3.29Å; M58-K60 PolarHBondContact O-N 2.89Å; M58-Q61 PolarHBondContact O-N 2.76Å; M58-Q62 WeakPolarHBondContact O-CB 3.49Å; M58-Q62 PolarHBondContact O-N 3.38Å
59	K	59.2	Low	56.8	Low	136 Å²	136	114.6 Å²	114.6	59%	0.591	54%	0.543	S	S	*	.	H	α-helix	trans	-58.9	-39.7	173.2	-76.2	178.1	178.2	-177.7	0	112	I55 Q62 H63	I55-K59 HydrophobicContact CG2-CD 4.24Å; I55-K59 WeakPolarHBondContact O-CB 3.38Å; I55-K59 VanDerWaalsContact O-CG 3.31Å; I55-K59 WeakPolarHBondContact O-CG 3.4Å; I55-K59 PolarHBondContact O-N 3.02Å; K59-Q62 PolarHBondContact O-N 3.19Å; K59-H63 VanDerWaalsContact O-CB 3.28Å; K59-H63 WeakPolarHBondContact O-CB 3.28Å; K59-H63 PolarHBondContact O-N 3.04Å
60	K	57.9	Low	55.7	Low	144 Å²	144	115 Å²	115	63%	0.626	55%	0.546	S	S	*	.	H	α-helix	trans	-67.6	-37.6	176.9	-168.6	175.4	-178.5	-178.8	0	112.7	M56 M57 M58 Q64	M56-K60 VanDerWaalsContact O-CB 3.29Å; M56-K60 WeakPolarHBondContact O-CB 3.3Å; M56-K60 PolarHBondContact O-N 2.8Å; M57-K60 CarbonylContact O-C 3.57Å; M57-K60 WeakPolarHBondContact O-CB 3.11Å; M57-K60 PolarHBondContact O-N 2.65Å; M57-K60 VanDerWaalsContact O-N 3.13Å; M58-K60 VanDerWaalsContact C-N 3.29Å; M58-K60 PolarHBondContact O-N 2.89Å; K60-Q64 WeakPolarHBondContact O-CG 3.37Å; K60-Q64 PolarHBondContact O-N 3.14Å
61	Q	54.1	Low	53.8	Low	123 Å²	123	114.2 Å²	114.2	58%	0.575	55%	0.545	S	S	*	.	H	α-helix	trans	-67.7	-43.3	173.1	-75.2	176.5	-22.3	0	0	111.7	M57 M58 H63 Q64 Q65	M57-Q61 WeakPolarHBondContact O-CG 3.41Å; M57-Q61 PolarHBondContact O-N 3.2Å; M58-Q61 PolarHBondContact O-N 2.76Å; Q61-H63 VanDerWaalsContact C-N 3.31Å; Q61-H63 PolarHBondContact O-N 3.28Å; Q61-Q64 CarbonylContact O-C 3.57Å; Q61-Q64 WeakPolarHBondContact O-CB 3.47Å; Q61-Q64 PolarHBondContact O-N 3.16Å; Q61-Q64 VanDerWaalsContact O-N 3.15Å; Q61-Q65 PolarHBondContact O-N 3.14Å
62	Q	51.5	Low	52.3	Low	112 Å²	112	113.5 Å²	113.5	52%	0.523	55%	0.548	S	S	.	.	H	α-helix	trans	-61.2	-41.4	175	-164.8	175.9	22.1	0	0	111	M58 K59 Q65 Q66	M58-Q62 WeakPolarHBondContact O-CB 3.49Å; M58-Q62 PolarHBondContact O-N 3.38Å; K59-Q62 PolarHBondContact O-N 3.19Å; Q62-Q65 PolarHBondContact O-N 2.97Å; Q62-Q66 WeakPolarHBondContact O-CG 3.16Å; Q62-Q66 PolarHBondContact O-N 3.41Å
63	H	51.8	Low	51	Low	112 Å²	112	110.7 Å²	110.7	52%	0.519	54%	0.543	S	S	.	.	H	α-helix	trans	-69	-32.6	174.8	-148.7	26.8	0	0	0	112.4	K59 Q61 Q66 H67	K59-H63 VanDerWaalsContact O-CB 3.28Å; K59-H63 WeakPolarHBondContact O-CB 3.28Å; K59-H63 PolarHBondContact O-N 3.04Å; Q61-H63 VanDerWaalsContact C-N 3.31Å; Q61-H63 PolarHBondContact O-N 3.28Å; H63-Q66 PolarHBondContact ND1-OE1 3.49Å; H63-Q66 VanDerWaalsContact ND1-OE1 3.1Å; H63-H67 WeakPolarHBondContact O-CB 3.42Å; H63-H67 PolarHBondContact O-N 2.88Å
64	Q	43.7	Very low	49.7	Very low	119 Å²	119	112.1 Å²	112.1	56%	0.556	55%	0.55	S	S	*	.	H	α-helix	trans	-67.8	-39.5	169.3	-80.5	-176.6	-62.4	0	0	112.5	K60 Q61 H67 I68	K60-Q64 WeakPolarHBondContact O-CG 3.37Å; K60-Q64 PolarHBondContact O-N 3.14Å; Q61-Q64 CarbonylContact O-C 3.57Å; Q61-Q64 WeakPolarHBondContact O-CB 3.47Å; Q61-Q64 PolarHBondContact O-N 3.16Å; Q61-Q64 VanDerWaalsContact O-N 3.15Å; Q64-H67 WeakPolarHBondContact O-CB 3.44Å; Q64-H67 PolarHBondContact O-N 2.76Å; Q64-I68 WeakPolarHBondContact O-CG1 3.48Å; Q64-I68 PolarHBondContact O-N 3.03Å
65	Q	45.9	Very low	47.9	Very low	134 Å²	134	118 Å²	118	63%	0.626	57%	0.568	S	S	*	*	H	α-helix	trans	-63.6	-43.9	173.5	-76.3	180	-22.5	0	0	111.5	Q61 Q62 H67 I68 V69	Q61-Q65 PolarHBondContact O-N 3.14Å; Q62-Q65 PolarHBondContact O-N 2.97Å; Q65-H67 VanDerWaalsContact C-N 3.32Å; Q65-H67 PolarHBondContact O-N 2.73Å; Q65-I68 WeakPolarHBondContact O-CB 3.46Å; Q65-I68 PolarHBondContact O-N 3.13Å; Q65-I68 VanDerWaalsContact O-N 3.1Å; Q65-V69 WeakPolarHBondContact O-CG2 3.39Å; Q65-V69 PolarHBondContact O-N 2.62Å
66	Q	48.3	Very low	46.4	Very low	95 Å²	95	122.7 Å²	122.7	44%	0.444	58%	0.579	S	S	.	*	H	α-helix	trans	-57.1	-44.2	170.4	-72.6	173.3	-19.6	0	0	111.6	Q62 H63 I68 V69 V70	Q62-Q66 WeakPolarHBondContact O-CG 3.16Å; Q62-Q66 PolarHBondContact O-N 3.41Å; H63-Q66 PolarHBondContact ND1-OE1 3.49Å; H63-Q66 VanDerWaalsContact ND1-OE1 3.1Å; Q66-I68 VanDerWaalsContact C-N 3.3Å; Q66-I68 PolarHBondContact O-N 3.14Å; Q66-V69 PolarHBondContact O-N 2.87Å; Q66-V70 WeakPolarHBondContact O-CG2 3.25Å; Q66-V70 PolarHBondContact O-N 3.2Å
67	H	42.4	Very low	44.7	Very low	121 Å²	121	118.5 Å²	118.5	56%	0.56	57%	0.573	S	S	*	*	H	α-helix	trans	-60.1	-36.9	174.3	-110.7	-78.8	0	0	0	113.1	H63 Q64 Q65 T71	H63-H67 WeakPolarHBondContact O-CB 3.42Å; H63-H67 PolarHBondContact O-N 2.88Å; Q64-H67 WeakPolarHBondContact O-CB 3.44Å; Q64-H67 PolarHBondContact O-N 2.76Å; Q65-H67 VanDerWaalsContact C-N 3.32Å; Q65-H67 PolarHBondContact O-N 2.73Å; H67-T71 VanDerWaalsContact O-CB 3.29Å; H67-T71 WeakPolarHBondContact O-CB 3.29Å; H67-T71 PolarHBondContact O-N 2.7Å; H67-T71 PolarHBondContact O-OG1 3.32Å
68	I	41.3	Very low	43.5	Very low	100 Å²	100	120.9 Å²	120.9	51%	0.513	58%	0.579	S	S	.	*	H	α-helix	trans	-67.5	-43.4	175.9	-70.2	162.6	0	0	0	110.5	Q64 Q65 Q66 T71 Q72	Q64-I68 WeakPolarHBondContact O-CG1 3.48Å; Q64-I68 PolarHBondContact O-N 3.03Å; Q65-I68 WeakPolarHBondContact O-CB 3.46Å; Q65-I68 PolarHBondContact O-N 3.13Å; Q65-I68 VanDerWaalsContact O-N 3.1Å; Q66-I68 VanDerWaalsContact C-N 3.3Å; Q66-I68 PolarHBondContact O-N 3.14Å; I68-T71 CarbonylContact O-C 3.57Å; I68-T71 PolarHBondContact O-N 3.39Å; I68-T71 VanDerWaalsContact O-N 3.11Å; I68-Q72 PolarHBondContact O-N 3.25Å
69	V	44.9	Very low	42.1	Very low	93 Å²	93	125.6 Å²	125.6	56%	0.564	59%	0.59	S	S	*	*	H	α-helix	trans	-61.3	-46.3	174.9	173.6	0	0	0	0	111.2	Q65 Q66 T71 Q72 A73	Q65-V69 WeakPolarHBondContact O-CG2 3.39Å; Q65-V69 PolarHBondContact O-N 2.62Å; Q66-V69 PolarHBondContact O-N 2.87Å; V69-T71 PolarHBondContact O-N 3.06Å; V69-Q72 PolarHBondContact O-N 2.78Å; V69-Q72 VanDerWaalsContact O-N 3.16Å; V69-A73 PolarHBondContact O-N 3.06Å
70	V	42.9	Very low	40.8	Very low	70 Å²	70	127.6 Å²	127.6	42%	0.424	60%	0.601	S	S	.	*	H	α-helix	trans	-61.9	-32	173.8	172	0	0	0	0	111.9	Q66 A73 K74	Q66-V70 WeakPolarHBondContact O-CG2 3.25Å; Q66-V70 PolarHBondContact O-N 3.2Å; V70-A73 PolarHBondContact O-N 3.25Å; V70-K74 PolarHBondContact O-N 3.2Å
71	T	34.5	Very low	39.5	Very low	72 Å²	72	126.7 Å²	126.7	44%	0.442	61%	0.61	S	S	.	*	H	α-helix	trans	-77.7	-28.7	176.8	-55.9	0	0	0	0	112.5	H67 I68 V69 K74 R75	H67-T71 VanDerWaalsContact O-CB 3.29Å; H67-T71 WeakPolarHBondContact O-CB 3.29Å; H67-T71 PolarHBondContact O-N 2.7Å; H67-T71 PolarHBondContact O-OG1 3.32Å; I68-T71 CarbonylContact O-C 3.57Å; I68-T71 PolarHBondContact O-N 3.39Å; I68-T71 VanDerWaalsContact O-N 3.11Å; V69-T71 PolarHBondContact O-N 3.06Å; T71-K74 PolarHBondContact O-N 3.19Å; T71-R75 PolarHBondContact O-N 2.88Å
72	Q	34.9	Very low	38.5	Very low	127 Å²	127	125.6 Å²	125.6	59%	0.593	61%	0.611	S	S	*	*	H	α-helix	trans	-70.3	-39.1	167.4	-74.7	-177.3	-23.8	0	0	111.4	I68 V69 K74 R75 R76	I68-Q72 PolarHBondContact O-N 3.25Å; V69-Q72 PolarHBondContact O-N 2.78Å; V69-Q72 VanDerWaalsContact O-N 3.16Å; Q72-K74 VanDerWaalsContact C-N 3.29Å; Q72-K74 PolarHBondContact O-N 2.6Å; Q72-R75 WeakPolarHBondContact O-CB 3.39Å; Q72-R75 PolarHBondContact O-N 3.21Å; Q72-R76 PolarHBondContact O-N 3.3Å
73	A	36.6	Very low	37.4	Very low	48 Å²	48	127.4 Å²	127.4	40%	0.397	62%	0.62	S	S	.	*	H	α-helix	trans	-58.9	-39.5	170.8	0	0	0	0	0	111.6	V69 V70 R75 R76	V69-A73 PolarHBondContact O-N 3.06Å; V70-A73 PolarHBondContact O-N 3.25Å; A73-R75 PolarHBondContact O-N 3.42Å; A73-R76 CarbonylContact O-C 3.49Å; A73-R76 PolarHBondContact O-N 2.89Å; A73-R76 VanDerWaalsContact O-O 3.07Å
74	K	35.3	Very low	36.1	Very low	158 Å²	158	133.3 Å²	133.3	69%	0.687	64%	0.638	S	S	*	*	H	α-helix	trans	-59.9	-24.5	170.9	-83.8	-174.1	173.5	-179.2	0	114.8	V70 T71 Q72	V70-K74 PolarHBondContact O-N 3.2Å; T71-K74 PolarHBondContact O-N 3.19Å; Q72-K74 VanDerWaalsContact C-N 3.29Å; Q72-K74 PolarHBondContact O-N 2.6Å
75	R	31.2	Very low	35.3	Very low	227 Å²	227	132.2 Å²	132.2	86%	0.857	64%	0.639	S	S	*	*	H	α-helix	trans	-83.4	-29.2	175.7	-71.4	-174.6	174.7	-173	-1.4	112.9	T71 Q72 A73 G77	T71-R75 PolarHBondContact O-N 2.88Å; Q72-R75 WeakPolarHBondContact O-CB 3.39Å; Q72-R75 PolarHBondContact O-N 3.21Å; A73-R75 PolarHBondContact O-N 3.42Å; R75-G77 VanDerWaalsContact C-N 3.31Å; R75-G77 PolarHBondContact O-N 3.32Å; R75-G77 VanDerWaalsContact O-N 3.14Å
76	R	34	Very low	34.3	Very low	184 Å²	184	131.9 Å²	131.9	69%	0.694	65%	0.646	S	S	*	*	S	Bend	trans	-81.7	77.1	165.7	-72.9	-176.2	174.1	-173.6	-1.3	109.3	Q72 A73 F78 E324	Q72-R76 PolarHBondContact O-N 3.3Å; A73-R76 CarbonylContact O-C 3.49Å; A73-R76 PolarHBondContact O-N 2.89Å; A73-R76 VanDerWaalsContact O-O 3.07Å; R76-F78 PolarHBondContact O-N 2.87Å; R76-E324 IonicContact CZ-OE1 2.74Å; R76-E324 IonicContact NH1-OE1 3.22Å; R76-E324 PolarHBondContact NH1-OE1 3.3Å
77	G	27.1	Very low	33.3	Very low	53 Å²	53	133.8 Å²	133.8	55%	0.546	65%	0.649	S	S	.	*			trans	-50.2	127.2	-175.9	0	0	0	0	0	113	R75 R79	R75-G77 VanDerWaalsContact C-N 3.31Å; R75-G77 PolarHBondContact O-N 3.32Å; R75-G77 VanDerWaalsContact O-N 3.14Å; G77-R79 PolarHBondContact O-N 2.81Å
78	F	34.6	Very low	32.6	Very low	179 Å²	179	134.4 Å²	134.4	79%	0.785	66%	0.664	S	S	*	*			trans	-51.3	103.4	-172.9	-81.1	-95.5	0	0	0	112.5	R76	R76-F78 PolarHBondContact O-N 2.87Å
79	R	32.9	Very low	32.1	Very low	230 Å²	230	133 Å²	133	87%	0.868	67%	0.674	S	S	*	*			trans	-138.8	81.3	177.5	-75.4	-171.4	174.5	-166.3	0.5	111	G77	G77-R79 PolarHBondContact O-N 2.81Å
80	H	30.6	Very low	31.3	Very low	178 Å²	178	136.3 Å²	136.3	82%	0.824	69%	0.689	S	S	*	*			trans	-120.9	130.2	157.5	-75.2	-61.4	0	0	0	109.4	V82	H80-V82 PolarHBondContact O-N 3.5Å
81	P	30	Very low	30.8	Very low	125 Å²	125	139.8 Å²	139.8	81%	0.812	70%	0.703	S	S	*	*			trans	-73.4	112.2	177.6	29.3	-32.4	0	0	0	109.6	Q83	P81-Q83 PolarHBondContact O-N 2.97Å
82	V	33.3	Very low	30.5	Very low	100 Å²	100	145.4 Å²	145.4	61%	0.606	72%	0.724	S	S	*	*			trans	-67.5	115.5	172.4	-178.3	0	0	0	0	108.6	H80 R84	H80-V82 PolarHBondContact O-N 3.5Å; V82-R84 PolarHBondContact O-N 3.38Å; V82-R84 VanDerWaalsContact O-N 3.09Å
83	Q	28.9	Very low	30.2	Very low	151 Å²	151	148.2 Å²	148.2	71%	0.706	74%	0.738	S	S	*	*			trans	-71	105.2	-179.4	-166.4	171.2	5.6	0	0	109.7	P81 V85	P81-Q83 PolarHBondContact O-N 2.97Å; Q83-V85 PolarHBondContact O-N 3.31Å
84	R	24.6	Very low	29.7	Very low	235 Å²	235	150.8 Å²	150.8	89%	0.887	75%	0.752	S	S	*	*			trans	-66.6	105	180	-76.8	-176	173.7	177.8	-1.7	110.8	V82	V82-R84 PolarHBondContact O-N 3.38Å; V82-R84 VanDerWaalsContact O-N 3.09Å
85	V	27.9	Very low	29.5	Very low	96 Å²	96	148.9 Å²	148.9	58%	0.582	76%	0.757	S	S	*	*			trans	-87.3	105.6	163.8	-176.9	0	0	0	0	108.4	Q83 R87 L266	Q83-V85 PolarHBondContact O-N 3.31Å; V85-R87 PolarHBondContact O-N 2.92Å; V85-L266 HydrophobicContact CG2-CD1 4.48Å
86	T	23.4	Very low	29.5	Very low	127 Å²	127	145.7 Å²	145.7	78%	0.779	76%	0.756	S	S	*	*			trans	-70.3	115.1	172.9	34.5	0	0	0	0	110.1
87	R	28.5	Very low	29.4	Very low	136 Å²	136	143.8 Å²	143.8	51%	0.513	76%	0.759	S	S	.	*			trans	-68.8	131.7	167.1	-66.7	-177.3	-177.9	163.2	3.7	108.5	V85 G89 H270	V85-R87 PolarHBondContact O-N 2.92Å; R87-G89 PolarHBondContact O-N 2.86Å; R87-G89 VanDerWaalsContact O-N 3.13Å; R87-H270 PolarHBondContact NH1-NE2 3.35Å
88	P	28.1	Very low	29.4	Very low	134 Å²	134	146.2 Å²	146.2	87%	0.87	76%	0.76	S	S	*	*			trans	-64.3	114.3	167.2	26.8	-32.2	0	0	0	108.6
89	G	30	Very low	29.2	Very low	69 Å²	69	143 Å²	143	71%	0.711	75%	0.75	S	S	*	*			trans	-87.6	123.6	-175.5	0	0	0	0	0	112	R87	R87-G89 PolarHBondContact O-N 2.86Å; R87-G89 VanDerWaalsContact O-N 3.13Å
90	N	28.4	Very low	29.1	Very low	164 Å²	164	137.9 Å²	137.9	88%	0.877	74%	0.74	S	S	*	*			trans	-149.3	78.5	156.8	-111	-15.6	0	0	0	108.9
91	I	32.9	Very low	29.2	Very low	143 Å²	143	135.7 Å²	135.7	73%	0.733	73%	0.73	S	S	*	*			trans	-123.4	113	165	-60.8	178	0	0	0	105.1	Q93	I91-Q93 PolarHBondContact O-N 2.73Å
92	Q	28	Very low	29.5	Very low	189 Å²	189	134.4 Å²	134.4	88%	0.883	72%	0.715	S	S	*	*			trans	-63.4	121.7	173.7	-79.6	172.5	-67.2	0	0	108.8	S94	Q92-S94 PolarHBondContact O-N 2.83Å; Q92-S94 VanDerWaalsContact O-N 3.1Å
93	Q	27.7	Very low	29.4	Very low	187 Å²	187	136 Å²	136	87%	0.874	71%	0.711	S	S	*	*			trans	-69.4	106	173.1	-71.1	179.7	-24.4	0	0	108.9	I91 P95	I91-Q93 PolarHBondContact O-N 2.73Å; Q93-P95 VanDerWaalsContact O-CD 3.28Å; Q93-P95 WeakPolarHBondContact O-CD 3.5Å
94	S	26.1	Very low	29.5	Very low	101 Å²	101	138.6 Å²	138.6	71%	0.706	71%	0.714	S	S	*	*			trans	-67.3	113.5	166.5	51.8	0	0	0	0	109.1	Q92 N96	Q92-S94 PolarHBondContact O-N 2.83Å; Q92-S94 VanDerWaalsContact O-N 3.1Å; S94-N96 VanDerWaalsContact C-N 3.34Å; S94-N96 PolarHBondContact O-N 3.47Å
95	P	31.3	Very low	29.6	Very low	119 Å²	119	136.9 Å²	136.9	77%	0.773	72%	0.716	S	S	*	*	S	Bend	trans	-83.6	75.5	-169.4	34	-35	0	0	0	111.3	Q93	Q93-P95 VanDerWaalsContact O-CD 3.28Å; Q93-P95 WeakPolarHBondContact O-CD 3.5Å
96	N	31.4	Very low	29.6	Very low	159 Å²	159	140.2 Å²	140.2	85%	0.85	72%	0.723	S	S	*	*			trans	-177.1	76	159.2	-96.6	-32.6	0	0	0	112.1	S94	S94-N96 VanDerWaalsContact C-N 3.34Å; S94-N96 PolarHBondContact O-N 3.47Å
97	L	31.3	Very low	29.8	Very low	145 Å²	145	142.1 Å²	142.1	76%	0.759	73%	0.727	S	S	*	*			trans	-165	106.6	160.3	-111.6	158.4	0	0	0	109.6
98	N	26.9	Very low	29.7	Very low	104 Å²	104	142.9 Å²	142.9	56%	0.556	74%	0.742	S	S	*	*			trans	-88.4	111.9	-177.5	-171.3	-6.2	0	0	0	110.4	D100 H101	N98-D100 PolarHBondContact O-N 3.05Å; N98-H101 PolarHBondContact O-N 2.88Å; N98-H101 VanDerWaalsContact O-N 3.17Å
99	L	31.4	Very low	29.8	Very low	112 Å²	112	142.3 Å²	142.3	59%	0.586	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-59.6	-30.2	-172.1	-91.4	77.4	0	0	0	113.8	H101 I102	L99-H101 PolarHBondContact O-N 3.08Å; L99-H101 VanDerWaalsContact O-N 3.07Å; L99-I102 PolarHBondContact O-N 3.29Å; L99-I102 VanDerWaalsContact O-N 3.17Å
100	D	31.5	Very low	29.5	Very low	122 Å²	122	148.3 Å²	148.3	65%	0.652	75%	0.745	S	S	*	*	G	3₁₀ helix	trans	-58.1	-24.8	179.7	-74	-16.3	0	0	0	113	N98 I102	N98-D100 PolarHBondContact O-N 3.05Å; D100-I102 PolarHBondContact O-N 3.48Å
101	H	31.5	Very low	29.4	Very low	131 Å²	131	150.4 Å²	150.4	61%	0.606	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-77.5	-16.4	-177.4	-109.2	-58.2	0	0	0	114.8	N98 L99	N98-H101 PolarHBondContact O-N 2.88Å; N98-H101 VanDerWaalsContact O-N 3.17Å; L99-H101 PolarHBondContact O-N 3.08Å; L99-H101 VanDerWaalsContact O-N 3.07Å
102	I	35.6	Very low	29	Very low	99 Å²	99	152.3 Å²	152.3	51%	0.508	75%	0.752	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.6	-26.8	179.1	-61.3	178.1	0	0	0	111.3	L99 D100	L99-I102 PolarHBondContact O-N 3.29Å; L99-I102 VanDerWaalsContact O-N 3.17Å; D100-I102 PolarHBondContact O-N 3.48Å
103	Y	31.4	Very low	28.9	Very low	132 Å²	132	149.9 Å²	149.9	52%	0.518	75%	0.749	S	S	.	*	S	Bend	trans	-86.4	-1.5	-175.2	-73.6	-72.8	0	0	0	115.4	V314	Y103-V314 WeakPolarHBondContact OH-CG2 3.35Å
104	R	30.9	Very low	28.7	Very low	206 Å²	206	149.9 Å²	149.9	78%	0.777	75%	0.747	S	S	*	*			trans	-139.4	94.4	-177.8	-67.7	-175.5	-178.1	161.9	3.6	113	K106	R104-K106 PolarHBondContact O-N 3Å
105	H	28.1	Very low	28.7	Very low	200 Å²	200	154.4 Å²	154.4	93%	0.926	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-64.6	123.2	161.9	-132.7	-84.8	0	0	0	109.1	L107	H105-L107 PolarHBondContact O-N 3.35Å
106	K	26.3	Very low	28.3	Very low	165 Å²	165	154.5 Å²	154.5	72%	0.717	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-65.4	122.8	-170.2	-69.4	179.1	178.4	177	0	112.2	R104	R104-K106 PolarHBondContact O-N 3Å
107	L	29	Very low	27.9	Very low	167 Å²	167	154.2 Å²	154.2	87%	0.874	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-102.2	129.3	149.3	-76	169.1	0	0	0	107.5	H105 P109	H105-L107 PolarHBondContact O-N 3.35Å; L107-P109 WeakPolarHBondContact O-CD 3.42Å
108	N	25.7	Very low	27.6	Very low	152 Å²	152	156.6 Å²	156.6	81%	0.813	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-71.4	124.1	-175.4	-81.2	-21	0	0	0	111.7
109	P	29.7	Very low	27.4	Very low	122 Å²	122	162.8 Å²	162.8	79%	0.792	78%	0.781	S	S	*	*			trans	-89.3	111.4	170.7	33.4	-28.9	0	0	0	110.7	L107	L107-P109 WeakPolarHBondContact O-CD 3.42Å
110	K	25.2	Very low	27.1	Very low	196 Å²	196	165.1 Å²	165.1	85%	0.852	79%	0.789	S	S	*	*			trans	-137.3	106.5	151.5	-83.6	-164.3	175.8	-172.6	0	108.3
111	F	25.3	Very low	26.8	Very low	208 Å²	208	167.4 Å²	167.4	91%	0.912	80%	0.796	S	S	*	*			trans	-176.6	118.3	134.9	-100.2	-65.4	0	0	0	107.9
112	E	24.6	Very low	26.4	Very low	183 Å²	183	164.4 Å²	164.4	86%	0.855	80%	0.8	S	S	*	*			trans	-74.3	139.6	168.7	-62	178.7	111.9	0	0	109.3
113	V	26.1	Very low	25.8	Very low	137 Å²	137	170.9 Å²	170.9	83%	0.83	82%	0.818	S	S	*	*			trans	-132.1	112.7	164.2	-179	0	0	0	0	107.7
114	K	24.4	Very low	25.5	Very low	188 Å²	188	170.3 Å²	170.3	82%	0.817	82%	0.824	S	S	*	*			trans	-70.9	147.8	172.7	-69.2	-179.4	178.6	177.4	0	109.8
115	Q	24.4	Very low	25.1	Very low	196 Å²	196	168.4 Å²	168.4	92%	0.916	82%	0.822	S	S	*	*			trans	-69.8	136.5	172	-65.8	173.8	-26.6	0	0	111.1
116	S	24.2	Very low	24.9	Very low	120 Å²	120	167 Å²	167	84%	0.839	81%	0.813	S	S	*	*			trans	-153.7	142.8	145.8	56.4	0	0	0	0	110.7
117	N	23.4	Very low	24.8	Very low	153 Å²	153	163.3 Å²	163.3	82%	0.818	81%	0.808	S	S	*	*			trans	-75.3	153	-175.6	-52.5	-60.5	0	0	0	111.9
118	Q	24.7	Very low	24.5	Very low	195 Å²	195	162 Å²	162	91%	0.911	80%	0.802	S	S	*	*				-173.4	166.3	105.3	-100.4	172	-5.5	0	0	112.9
119	R	22.8	Very low	24.5	Very low	234 Å²	234	161.4 Å²	161.4	88%	0.883	80%	0.799	S	S	*	*			trans	-114.4	143.3	171.8	-69.8	174.3	170	175.4	-4.4	108.7
120	Q	25.2	Very low	24.2	Very low	161 Å²	161	161.1 Å²	161.1	75%	0.752	80%	0.8	S	S	*	*				176.4	134.7	126.6	-94.5	179.7	-77.6	0	0	108
121	E	23.6	Very low	24.2	Very low	171 Å²	171	161.1 Å²	161.1	80%	0.799	80%	0.8	S	S	*	*				51.4	125.4	95.6	-54.3	-177.4	127.3	0	0	113.8
122	G	23.6	Very low	24.3	Very low	67 Å²	67	156.5 Å²	156.5	69%	0.691	79%	0.794	S	S	*	*			cis	159.1	166.4	-4.8	0	0	0	0	0	111.4
123	R	23.7	Very low	24.3	Very low	235 Å²	235	152.7 Å²	152.7	89%	0.887	79%	0.793	S	S	*	*			trans	69.2	156.5	175.4	-59.6	-172.8	-145.1	-177.6	7.5	115.5
124	D	24	Very low	24.3	Very low	121 Å²	121	154 Å²	154	65%	0.647	79%	0.794	S	S	*	*			cis	-162	-178.5	-17.2	-101.6	-24.8	0	0	0	110.1
125	F	23.7	Very low	24.2	Very low	165 Å²	165	150.5 Å²	150.5	72%	0.724	79%	0.794	S	S	*	*			trans	90.3	112.6	154.9	-75.8	-77.2	0	0	0	122.7
126	K	24.1	Very low	24.3	Very low	170 Å²	170	148.1 Å²	148.1	74%	0.739	79%	0.787	S	S	*	*			trans	57.3	124.8	135.2	-74	-179.9	-174.1	175	0	120.2
127	S	23.4	Very low	24.4	Very low	89 Å²	89	150.8 Å²	150.8	62%	0.622	79%	0.787	S	S	*	*				70.6	128	68	91.2	0	0	0	0	112.9
128	D	23.5	Very low	24.5	Very low	138 Å²	138	149.9 Å²	149.9	74%	0.738	78%	0.782	S	S	*	*				-159.1	-165.4	72.1	-130.2	-67.6	0	0	0	117.2
129	N	24.1	Very low	24.6	Very low	140 Å²	140	148 Å²	148	75%	0.749	78%	0.778	S	S	*	*			trans	-99.5	149.6	-169.5	-62.8	-97.8	0	0	0	115.5
130	S	25.3	Very low	24.6	Very low	116 Å²	116	140.5 Å²	140.5	81%	0.811	77%	0.774	S	S	*	*			trans	171.8	132.9	136.8	37	0	0	0	0	109.6
131	K	25.3	Very low	24.6	Very low	196 Å²	196	142.1 Å²	142.1	85%	0.852	78%	0.781	S	S	*	*				82.1	85.9	55.1	-79.3	-166.4	175.6	-178	0	116.2
132	S	25.6	Very low	24.7	Very low	112 Å²	112	139.7 Å²	139.7	78%	0.783	78%	0.784	S	S	*	*				43.2	126.7	126.2	62.7	0	0	0	0	122.5
133	A	24.5	Very low	24.9	Very low	103 Å²	103	144.6 Å²	144.6	85%	0.851	79%	0.793	S	S	*	*			trans	-156	162.1	143.3	0	0	0	0	0	111.5
134	L	26	Very low	25.6	Very low	163 Å²	163	138.3 Å²	138.3	85%	0.853	78%	0.782	S	S	*	*			trans	-127.3	144.6	176.4	-74	79.7	0	0	0	111.7
135	S	24	Very low	25.6	Very low	116 Å²	116	142.1 Å²	142.1	81%	0.811	79%	0.793	S	S	*	*			trans	-166.6	143.2	135.1	50.4	0	0	0	0	109
136	N	25.6	Very low	25.9	Very low	145 Å²	145	144.1 Å²	144.1	78%	0.775	80%	0.802	S	S	*	*			cis	92.8	96.9	27.8	-89.7	9.7	0	0	0	116.5
137	Q	26.1	Very low	25.9	Very low	176 Å²	176	145.6 Å²	145.6	82%	0.822	81%	0.808	S	S	*	*				170.9	125.9	128.5	-94.1	175.7	7.8	0	0	109.2
138	N	26.8	Very low	25.9	Very low	135 Å²	135	145.6 Å²	145.6	72%	0.722	81%	0.813	S	S	*	*				70.6	137	84.7	-69.1	15.9	0	0	0	113
139	N	25.7	Very low	26	Very low	155 Å²	155	146 Å²	146	83%	0.829	82%	0.821	S	S	*	*			cis	-149.3	167.4	11.5	-102.8	-11.3	0	0	0	111.3
140	G	22.7	Very low	25.9	Very low	77 Å²	77	146.4 Å²	146.4	79%	0.794	82%	0.823	S	S	*	*			trans	169	114.1	165.8	0	0	0	0	0	114.1
141	E	26.2	Very low	25.9	Very low	194 Å²	194	147.7 Å²	147.7	91%	0.907	82%	0.82	S	S	*	*			trans	-93.9	146.7	-176.5	-60.6	174.7	106.6	0	0	113.1
142	S	24.2	Very low	25.7	Very low	121 Å²	121	145.8 Å²	145.8	85%	0.846	82%	0.819	S	S	*	*				177.5	137.3	127.2	41.5	0	0	0	0	115.1
143	L	27.6	Very low	25.7	Very low	170 Å²	170	146.4 Å²	146.4	89%	0.89	81%	0.813	S	S	*	*			trans	-147.9	165.1	158.6	-90.1	171.3	0	0	0	105.3
144	P	39.5	Very low	25.6	Very low	102 Å²	102	149.3 Å²	149.3	66%	0.662	81%	0.814	S	S	*	*			cis	-132.4	-173.8	6.6	43	-28.2	0	0	0	113.7
145	K	23.8	Very low	25.5	Very low	202 Å²	202	146.2 Å²	146.2	88%	0.878	80%	0.802	S	S	*	*				-172.3	143.1	126	-101.9	148.9	-171.3	168.2	0	113.9
146	K	31.1	Very low	25.5	Very low	206 Å²	206	145.5 Å²	145.5	90%	0.896	80%	0.803	S	S	*	*			trans	-99.2	137.4	157.7	-71	179.5	176.6	179	0	109.1
147	K	23.5	Very low	25.4	Very low	201 Å²	201	144.7 Å²	144.7	87%	0.874	80%	0.803	S	S	*	*			trans	-152.4	136	146.9	-85.4	-165.7	177	-175.4	0	105.8
148	A	24.1	Very low	25.3	Very low	89 Å²	89	140.3 Å²	140.3	74%	0.736	80%	0.797	S	S	*	*			cis	74.8	103.8	35.2	0	0	0	0	0	113.4
149	V	23.5	Very low	25	Very low	148 Å²	148	138.8 Å²	138.8	90%	0.897	80%	0.797	S	S	*	*			trans	-136.2	142.9	165.7	179.7	0	0	0	0	106.5
150	N	22.2	Very low	25	Very low	148 Å²	148	137.5 Å²	137.5	79%	0.791	79%	0.794	S	S	*	*			trans	-88.2	166.5	-167.9	-84.2	-0.1	0	0	0	114.6
151	L	25.7	Very low	25	Very low	142 Å²	142	139.9 Å²	139.9	74%	0.743	79%	0.794	S	S	*	*			trans	-82.2	146.7	151.6	-87.2	67.9	0	0	0	109.9	L153	L151-L153 HydrophobicContact CD2-CD1 4.44Å
152	D	22.1	Very low	24.9	Very low	156 Å²	156	138.5 Å²	138.5	83%	0.834	79%	0.787	S	S	*	*			trans	-160.1	125	142.4	-81.5	-44.7	0	0	0	104.9
153	L	25.6	Very low	24.8	Very low	125 Å²	125	137.4 Å²	137.4	65%	0.654	78%	0.775	S	S	*	*			cis	93.1	85.8	13	-146.5	124.5	0	0	0	116	L151 V155	L151-L153 HydrophobicContact CD2-CD1 4.44Å; L153-V155 HydrophobicContact CD2-CG2 3.74Å; L153-V155 HydrophobicContact CG-CG2 4.48Å
154	N	22.6	Very low	24.5	Very low	165 Å²	165	137.5 Å²	137.5	88%	0.882	77%	0.771	S	S	*	*			trans	-129.8	126.3	154.6	-86.1	-47	0	0	0	107
155	V	23.8	Very low	24.3	Very low	98 Å²	98	137.7 Å²	137.7	59%	0.594	77%	0.772	S	S	*	*			cis	113.6	100.9	13	174.2	0	0	0	0	112.5	L153 V157	L153-V155 HydrophobicContact CD2-CG2 3.74Å; L153-V155 HydrophobicContact CG-CG2 4.48Å; V155-V157 HydrophobicContact CG1-CG2 3.83Å
156	A	22.2	Very low	24.2	Very low	101 Å²	101	132.5 Å²	132.5	84%	0.835	77%	0.767	S	S	*	*			trans	-174.7	108.4	147.5	0	0	0	0	0	106.6
157	V	24.9	Very low	23.9	Very low	127 Å²	127	129 Å²	129	77%	0.77	76%	0.762	S	S	*	*			cis	91.9	104	22.5	-175	0	0	0	0	115.6	V155	V155-V157 HydrophobicContact CG1-CG2 3.83Å
158	A	22.9	Very low	23.9	Very low	84 Å²	84	127.3 Å²	127.3	69%	0.694	76%	0.757	S	S	*	*			trans	-171.5	100.7	142.8	0	0	0	0	0	107.8
159	S	21.9	Very low	23.9	Very low	103 Å²	103	128.5 Å²	128.5	72%	0.72	76%	0.756	S	S	*	*				55.5	116.2	92.6	65.3	0	0	0	0	114.1
160	V	24.9	Very low	23.9	Very low	128 Å²	128	129 Å²	129	78%	0.776	75%	0.754	S	S	*	*			cis	72.4	104.3	23.2	-169.6	0	0	0	0	116.4
161	T	22.7	Very low	23.9	Very low	128 Å²	128	131.3 Å²	131.3	79%	0.785	76%	0.757	S	S	*	*			trans	-162	138.5	144.4	27.7	0	0	0	0	106.8
162	Q	24.1	Very low	24.1	Very low	164 Å²	164	130.7 Å²	130.7	77%	0.766	76%	0.761	S	S	*	*			cis	78.7	143.4	43.9	-67.2	-164.6	-21.5	0	0	113.6
163	V	22.1	Very low	24.2	Very low	98 Å²	98	129.2 Å²	129.2	59%	0.594	76%	0.757	S	S	*	*			cis	-165.8	144.2	-2.6	121.8	0	0	0	0	111.1
164	Q	20.9	Very low	24.1	Very low	172 Å²	172	130.5 Å²	130.5	80%	0.804	76%	0.764	S	S	*	*			trans	24.6	-160.5	144.8	-40.7	171	-25.6	0	0	121.6
165	P	36.1	Very low	24.1	Very low	107 Å²	107	130.6 Å²	130.6	70%	0.695	76%	0.757	S	S	*	*			cis	-127.2	162.6	-36.9	21.7	0.9	0	0	0	116.6
166	A	22	Very low	23.9	Very low	92 Å²	92	131.3 Å²	131.3	76%	0.76	76%	0.761	S	S	*	*			trans	29.9	149.5	142.7	0	0	0	0	0	125.3
167	V	25.1	Very low	24	Very low	132 Å²	132	134.1 Å²	134.1	80%	0.8	76%	0.757	S	S	*	*				174.6	131.2	111.3	153.2	0	0	0	0	114.6
168	E	22.6	Very low	23.9	Very low	166 Å²	166	134 Å²	134	78%	0.776	75%	0.752	S	S	*	*			trans	46.1	139.1	150.4	-67.9	-170.7	142.7	0	0	129.3
169	T	23.5	Very low	23.9	Very low	115 Å²	115	136.6 Å²	136.6	71%	0.706	75%	0.754	S	S	*	*			trans	97	129.8	136.1	46.3	0	0	0	0	125.3
170	N	23.4	Very low	23.9	Very low	159 Å²	159	140.8 Å²	140.8	85%	0.85	76%	0.759	S	S	*	*			trans	85.1	140.5	146	-68.6	-23.3	0	0	0	124.2
171	K	22.4	Very low	23.8	Very low	196 Å²	196	139.7 Å²	139.7	85%	0.852	76%	0.757	S	S	*	*			trans	-85.6	163.9	172.5	-89.7	-179.9	-178.4	179	0	109.7
172	P	30.7	Very low	23.8	Very low	129 Å²	129	137.9 Å²	137.9	84%	0.838	76%	0.755	S	S	*	*				-150	-161	51.7	43.2	-20.7	0	0	0	117.6
173	V	23.8	Very low	23.8	Very low	124 Å²	124	138.2 Å²	138.2	75%	0.752	76%	0.757	S	S	*	*			trans	-95.3	143.3	-167.7	173.1	0	0	0	0	112.7
174	L	23.2	Very low	23.8	Very low	152 Å²	152	142.7 Å²	142.7	80%	0.796	77%	0.769	S	S	*	*			trans	-161.2	126.3	141.9	-120.8	68.4	0	0	0	107.4
175	K	22	Very low	23.9	Very low	167 Å²	167	138.5 Å²	138.5	73%	0.726	76%	0.763	S	S	*	*				69.6	126	94.9	-71.5	-164.3	177.9	-175.8	0	114.9
176	T	21.7	Very low	23.4	Very low	113 Å²	113	142.7 Å²	142.7	69%	0.693	77%	0.773	S	S	*	*				65.8	119	77.3	-45.5	0	0	0	0	109.9
177	E	23.1	Very low	23.3	Very low	161 Å²	161	147.2 Å²	147.2	75%	0.752	78%	0.776	S	S	*	*			cis	-169.1	-175.3	5.5	-130.3	174.1	-178.2	0	0	111.6
178	L	22.3	Very low	24.2	Very low	125 Å²	125	145.8 Å²	145.8	65%	0.654	77%	0.769	S	S	*	*			trans	55.8	122.2	152.3	-96.3	75.6	0	0	0	121.8
179	N	23	Very low	24.2	Very low	137 Å²	137	144.6 Å²	144.6	73%	0.733	77%	0.767	S	S	*	*				39.7	130.5	121.8	-54	-10.2	0	0	0	120.9
180	K	23.5	Very low	24.2	Very low	191 Å²	191	147 Å²	147	83%	0.83	77%	0.768	S	S	*	*				-175.2	163.8	93.5	-99.4	174.1	-175.2	176.9	0	114
181	S	21.7	Very low	24.1	Very low	106 Å²	106	147.6 Å²	147.6	74%	0.741	77%	0.765	S	S	*	*			trans	40.5	115.9	155.7	51.8	0	0	0	0	119.2
182	A	21.9	Very low	24.1	Very low	89 Å²	89	147.7 Å²	147.7	74%	0.736	77%	0.766	S	S	*	*			cis	78.2	130.3	46.7	0	0	0	0	0	115.4
183	Q	24.2	Very low	23.8	Very low	171 Å²	171	147.8 Å²	147.8	80%	0.799	76%	0.755	S	S	*	*			trans	65.5	146	173.6	-57.7	171.7	-10.5	0	0	113.3
184	F	22.1	Very low	23.7	Very low	193 Å²	193	148.9 Å²	148.9	85%	0.846	76%	0.756	S	S	*	*			cis	-135	169	35.1	-101.5	-101.3	0	0	0	114.3
185	A	24.5	Very low	23.8	Very low	84 Å²	84	149 Å²	149	69%	0.694	75%	0.75	S	S	*	*			trans	-84.2	148.4	170.7	0	0	0	0	0	111.7
186	H	24.2	Very low	24	Very low	194 Å²	194	144.8 Å²	144.8	90%	0.898	75%	0.747	S	S	*	*			trans	-153.3	124.5	144.3	-106.1	-70.2	0	0	0	112.6
187	K	21.6	Very low	24.1	Very low	188 Å²	188	147 Å²	147	82%	0.817	75%	0.754	S	S	*	*			trans	-98.8	173.8	155.7	-113.1	-175.4	179.1	-178.2	0	107.2
188	P	43.9	Very low	24.2	Very low	102 Å²	102	147.2 Å²	147.2	66%	0.662	76%	0.755	S	S	*	*			cis	-132.5	-169.8	-18.1	37.1	-18.8	0	0	0	112.3
189	L	21.7	Very low	24.4	Very low	141 Å²	141	150.2 Å²	150.2	74%	0.738	76%	0.763	S	S	*	*				172.4	132.5	119.1	-92.4	167.5	0	0	0	113.8
190	K	22.5	Very low	24.5	Very low	166 Å²	166	148.1 Å²	148.1	72%	0.722	77%	0.765	S	S	*	*			trans	42.3	131	150.2	-70.5	171.1	179.5	-175.1	0	121.2
191	E	22.8	Very low	24.6	Very low	170 Å²	170	146 Å²	146	79%	0.794	76%	0.758	S	S	*	*			cis	95.6	115.5	34.2	-73.8	179.5	134.1	0	0	116.1
192	K	22	Very low	24.9	Very low	199 Å²	199	148.7 Å²	148.7	87%	0.865	76%	0.756	S	S	*	*			trans	175.8	113.8	149.3	-100.1	176.2	-179.4	-173.4	0	105.8
193	E	23.4	Very low	25.1	Very low	131 Å²	131	150.4 Å²	150.4	61%	0.612	75%	0.753	S	S	*	*			cis	80.2	141.4	24.1	-112.1	-87.6	120.3	0	0	114.8	K195	E193-K195 WeakPolarHBondContact OE1-CE 3.42Å; E193-K195 IonicContact OE1-NZ 2.68Å; E193-K195 PolarHBondContact OE1-NZ 3.22Å; E193-K195 IonicContact OE2-NZ 2.9Å; E193-K195 PolarHBondContact OE2-NZ 3.43Å
194	L	23	Very low	25.3	Very low	146 Å²	146	149.7 Å²	149.7	76%	0.764	75%	0.754	S	S	*	*			trans	92.9	122.2	-170.5	-57	156.1	0	0	0	114.8
195	K	24.5	Very low	25.7	Very low	154 Å²	154	147.8 Å²	147.8	67%	0.67	75%	0.751	S	S	*	*			cis	86.7	144.9	28.6	-60	164.9	176	150.9	0	114.1	E193	E193-K195 WeakPolarHBondContact OE1-CE 3.42Å; E193-K195 IonicContact OE1-NZ 2.68Å; E193-K195 PolarHBondContact OE1-NZ 3.22Å; E193-K195 IonicContact OE2-NZ 2.9Å; E193-K195 PolarHBondContact OE2-NZ 3.43Å
196	A	26.2	Very low	26	Very low	80 Å²	80	152.3 Å²	152.3	66%	0.661	76%	0.755	S	S	*	*			cis	-122.7	-133.6	-5.8	0	0	0	0	0	112
197	D	23.7	Very low	26.3	Very low	158 Å²	158	151 Å²	151	85%	0.845	75%	0.749	S	S	*	*			cis	-145.5	-164.9	18.9	-85.6	-85	0	0	0	112
198	E	26.3	Very low	26.5	Very low	167 Å²	167	145.2 Å²	145.2	78%	0.78	74%	0.742	S	S	*	*			trans	-114.1	156.5	-161.1	-56.2	-179.6	138.9	0	0	116.6
199	K	25.3	Very low	25.6	Very low	187 Å²	187	147.9 Å²	147.9	81%	0.813	75%	0.749	S	S	*	*				170.7	142.5	108.7	-99	177	177.6	172.6	0	116.5
200	A	25.7	Very low	25.8	Very low	93 Å²	93	150 Å²	150	77%	0.769	75%	0.752	S	S	*	*			trans	54.5	152.7	144.4	0	0	0	0	0	121.7
201	E	26.1	Very low	26.1	Very low	146 Å²	146	148.7 Å²	148.7	68%	0.682	76%	0.758	S	S	*	*			cis	-169.5	142.2	-20.9	172.3	175.3	179.2	0	0	110.1
202	K	27.5	Very low	26.2	Very low	163 Å²	163	145.9 Å²	145.9	71%	0.709	76%	0.757	S	S	*	*			trans	65.1	155.1	167.2	-78.5	165.4	-176.3	146	0	118.5
203	D	25.1	Very low	26.7	Very low	125 Å²	125	144.8 Å²	144.8	67%	0.668	76%	0.755	S	S	*	*			cis	-145.3	142.3	12.2	-128.8	-25.3	0	0	0	116.3
204	L	28.6	Very low	27.6	Very low	156 Å²	156	144 Å²	144	82%	0.817	76%	0.761	S	S	*	*			trans	47.1	166.8	150.7	-81.3	163.5	0	0	0	126.2
205	I	30.9	Very low	27.8	Very low	154 Å²	154	143.4 Å²	143.4	79%	0.79	76%	0.764	S	S	*	*			trans	-142	153.7	-159.9	-68.8	166.9	0	0	0	111.3
206	K	30.8	Very low	27.9	Very low	178 Å²	178	141 Å²	141	77%	0.774	77%	0.772	S	S	*	*			trans	162.5	139.2	139.5	-90.1	173.2	177.7	-180	0	110.4
207	H	30.5	Very low	27.9	Very low	168 Å²	168	146.8 Å²	146.8	78%	0.778	79%	0.786	S	S	*	*			cis	-150.5	165.5	-9.3	-83.9	-75.9	0	0	0	106.7
208	G	25.7	Very low	28	Very low	65 Å²	65	148.2 Å²	148.2	67%	0.67	79%	0.787	S	S	*	*			cis	161.4	124.9	-10.5	0	0	0	0	0	114.9
209	I	26.5	Very low	27.9	Very low	158 Å²	158	144.9 Å²	144.9	81%	0.81	79%	0.789	S	S	*	*			trans	79.8	106.4	149.2	-52.9	179.9	0	0	0	121.2
210	K	25.5	Very low	28	Very low	186 Å²	186	144.9 Å²	144.9	81%	0.809	79%	0.791	S	S	*	*			trans	48.5	139	132.7	-62.4	-176.4	178	-179	0	122.1
211	V	28.2	Very low	28.7	Very low	138 Å²	138	145.9 Å²	145.9	84%	0.836	79%	0.79	S	S	*	*			cis	77.5	132.6	45.3	173.2	0	0	0	0	111.6
212	S	25.3	Very low	28.6	Very low	111 Å²	111	144.6 Å²	144.6	78%	0.776	79%	0.791	S	S	*	*			cis	-153.8	174.1	29.4	50.7	0	0	0	0	117.3
213	H	32.8	Very low	28.5	Very low	176 Å²	176	145.8 Å²	145.8	82%	0.815	80%	0.797	S	S	*	*			trans	-57.2	169.3	155.8	-87.6	-60.6	0	0	0	114.5
214	P	40.9	Very low	28.3	Very low	114 Å²	114	144.9 Å²	144.9	74%	0.74	80%	0.796	S	S	*	*				-160.4	170.3	69.8	45.7	-22.9	0	0	0	122.7
215	T	27.1	Very low	28.1	Very low	135 Å²	135	144.3 Å²	144.3	83%	0.828	79%	0.792	S	S	*	*			trans	6.3	146.1	151.8	59.2	0	0	0	0	125.6
216	A	26.6	Very low	27.7	Very low	103 Å²	103	141.9 Å²	141.9	85%	0.851	79%	0.789	S	S	*	*			trans	-165.4	176.4	133.4	0	0	0	0	0	112.2
217	E	26.4	Very low	27.3	Very low	202 Å²	202	141.4 Å²	141.4	94%	0.944	79%	0.789	S	S	*	*			trans	-113.9	-169.8	-159.9	-66.4	176.5	126.3	0	0	117.3
218	E	26.6	Very low	26.9	Very low	187 Å²	187	142.1 Å²	142.1	87%	0.874	79%	0.793	S	S	*	*			trans	-64.6	155.6	-164.1	-47.5	178.4	140.3	0	0	118.5
219	A	23.8	Very low	26.7	Very low	98 Å²	98	145.4 Å²	145.4	81%	0.81	80%	0.8	S	S	*	*				171.6	155.9	118.9	0	0	0	0	0	114.9
220	H	27.8	Very low	27.6	Very low	187 Å²	187	143.1 Å²	143.1	87%	0.866	80%	0.796	S	S	*	*			trans	-89.8	176.8	171.5	-72.2	-43.1	0	0	0	111.2
221	P	39.8	Very low	27.5	Very low	114 Å²	114	139.6 Å²	139.6	74%	0.74	79%	0.79	S	S	*	*			cis	-159.1	173.4	29.6	47.8	-25.4	0	0	0	122.2
222	V	24.2	Very low	27.3	Very low	118 Å²	118	141.5 Å²	141.5	72%	0.715	79%	0.787	S	S	*	*			trans	70.7	118.4	132.8	157.6	0	0	0	0	124.3
223	K	24.5	Very low	27.2	Very low	188 Å²	188	142.1 Å²	142.1	82%	0.817	78%	0.781	S	S	*	*			trans	65	157.8	140.9	-70.3	-175.2	-170.9	175.4	0	120.4
224	T	22	Very low	26.8	Very low	106 Å²	106	140 Å²	140	65%	0.65	78%	0.781	S	S	*	*			cis	-165.1	140.2	-11.2	-101.9	0	0	0	0	112.6
225	I	24.8	Very low	26.1	Very low	144 Å²	144	142.4 Å²	142.4	74%	0.738	79%	0.787	S	S	*	*			trans	31.3	122.1	151.5	-53.3	167.4	0	0	0	121.4
226	S	21.3	Very low	26	Very low	103 Å²	103	139.7 Å²	139.7	72%	0.72	79%	0.786	S	S	*	*				175.9	114.6	117.1	60.8	0	0	0	0	110.7
227	Q	23.4	Very low	26	Very low	169 Å²	169	144.9 Å²	144.9	79%	0.79	79%	0.789	S	S	*	*				83	152.7	91.5	-76.9	-161.7	-6.2	0	0	117
228	Q	20.9	Very low	26	Very low	182 Å²	182	143.5 Å²	143.5	85%	0.85	78%	0.783	S	S	*	*			trans	82.8	120.1	168.2	-62.4	177.4	22.6	0	0	119.4
229	T	22.5	Very low	25.9	Very low	135 Å²	135	141.9 Å²	141.9	83%	0.828	78%	0.78	S	S	*	*			trans	-103.5	-168.1	169.3	49.3	0	0	0	0	108.8
230	P	45.7	Very low	26	Very low	109 Å²	109	143.7 Å²	143.7	71%	0.708	78%	0.781	S	S	*	*			cis	-126.9	-162.9	-23.8	22.7	1	0	0	0	112.3
231	V	22.6	Very low	26.3	Very low	113 Å²	113	144.2 Å²	144.2	69%	0.685	78%	0.781	S	S	*	*			trans	139.9	114.3	131.2	168.8	0	0	0	0	115.8
232	K	24	Very low	25.6	Very low	178 Å²	178	144.8 Å²	144.8	77%	0.774	78%	0.784	S	S	*	*			trans	65.8	159	150.9	-70.6	179.3	163.6	-157.1	0	120.2
233	D	22.8	Very low	25.5	Very low	123 Å²	123	149.1 Å²	149.1	66%	0.658	79%	0.793	S	S	*	*			cis	-159.1	177.9	-12	-110.2	-25.5	0	0	0	110.6
234	V	26	Very low	25.5	Very low	133 Å²	133	147.5 Å²	147.5	81%	0.806	79%	0.792	S	S	*	*			trans	92.2	117.4	157.5	-163.6	0	0	0	0	121.6
235	N	25.8	Very low	25.7	Very low	164 Å²	164	148.8 Å²	148.8	88%	0.877	80%	0.795	S	S	*	*			trans	-11.8	151.1	156.7	-59	-29.1	0	0	0	122.8
236	G	25	Very low	26	Very low	78 Å²	78	148.4 Å²	148.4	80%	0.804	79%	0.794	S	S	*	*			trans	-168.9	25.1	172.6	0	0	0	0	0	124.4
237	K	25.9	Very low	26.2	Very low	211 Å²	211	151.8 Å²	151.8	92%	0.917	80%	0.798	S	S	*	*			trans	59.6	177.7	167.9	-80.4	-169.9	173.7	-172.9	0	119.2
238	E	25.8	Very low	26.5	Very low	174 Å²	174	148.4 Å²	148.4	81%	0.813	80%	0.799	S	S	*	*			trans	-92.5	151.8	-154.6	-65.6	156.3	118.7	0	0	117.1
239	D	26.2	Very low	26.6	Very low	153 Å²	153	143.5 Å²	143.5	82%	0.818	80%	0.797	S	S	*	*			trans	38.2	117.6	149.7	-70.7	-24.4	0	0	0	122.4
240	V	25.5	Very low	26.8	Very low	136 Å²	136	144.9 Å²	144.9	82%	0.824	80%	0.799	S	S	*	*				-167.7	149.5	90	151	0	0	0	0	111.1
241	K	33.5	Very low	26.5	Very low	198 Å²	198	147.1 Å²	147.1	86%	0.861	81%	0.806	S	S	*	*			trans	-46.5	137.1	-173.1	-60.5	169.7	-179.3	170.1	0	117.7
242	P	24.5	Very low	27	Very low	125 Å²	125	147.2 Å²	147.2	81%	0.812	81%	0.811	S	S	*	*			trans	-106.8	-175.5	141	36.2	-30.9	0	0	0	112.7
243	K	23.2	Very low	27.9	Very low	209 Å²	209	143.7 Å²	143.7	91%	0.909	81%	0.809	S	S	*	*			trans	-89.8	129.6	-164.7	-67.2	174.4	-179	171.9	0	115.1
244	I	25.2	Very low	28.7	Very low	155 Å²	155	142.4 Å²	142.4	80%	0.795	82%	0.816	S	S	*	*			trans	-48.7	126.7	152.7	-70	162.5	0	0	0	109.8
245	N	24.4	Very low	29.7	Very low	133 Å²	133	141.9 Å²	141.9	71%	0.711	81%	0.813	S	S	*	*				172.7	158.8	90.7	-117.4	-8.9	0	0	0	108.3
246	L	31.2	Very low	30.9	Very low	135 Å²	135	142.1 Å²	142.1	71%	0.707	80%	0.801	S	S	*	*			cis	-166.4	175.5	-5	-144.3	172.3	0	0	0	108.8
247	Q	26.1	Very low	32	Very low	175 Å²	175	147.8 Å²	147.8	82%	0.818	80%	0.804	S	S	*	*			trans	82.7	145.6	164.9	-56.7	-170	19.4	0	0	117.8
248	A	28.9	Very low	33.7	Very low	97 Å²	97	140.4 Å²	140.4	80%	0.802	78%	0.778	S	S	*	*			cis	-165.2	142.9	-26.8	0	0	0	0	0	108.3
249	G	24.2	Very low	36.7	Very low	79 Å²	79	133.9 Å²	133.9	81%	0.814	76%	0.756	S	S	*	*			trans	-173	80.9	-174.7	0	0	0	0	0	116
250	D	27.4	Very low	39.9	Very low	164 Å²	164	130.2 Å²	130.2	88%	0.877	74%	0.739	S	S	*	*			trans	65.4	159.9	160.8	-116.8	-39.2	0	0	0	122
251	N	38.4	Very low	43.2	Very low	156 Å²	156	125.7 Å²	125.7	83%	0.834	71%	0.709	S	S	*	*			trans	-106.5	132.1	-171.5	-66.9	-86.6	0	0	0	112.8
252	S	33.7	Very low	46.1	Very low	115 Å²	115	121.6 Å²	121.6	80%	0.804	69%	0.691	S	S	*	*			trans	-136.9	132.8	151.8	69	0	0	0	0	110	A254	S252-A254 PolarHBondContact O-N 2.92Å
253	S	43.2	Very low	49.3	Very low	104 Å²	104	115.9 Å²	115.9	73%	0.727	66%	0.655	S	S	*	*			trans	-53.5	117.6	-177	50.4	0	0	0	0	112.9	V255	S253-V255 PolarHBondContact O-N 3.39Å
254	A	38	Very low	52.6	Low	97 Å²	97	108.6 Å²	108.6	80%	0.802	63%	0.625	S	S	*	*			trans	-66.2	103.4	167.3	0	0	0	0	0	109.3	S252 R256	S252-A254 PolarHBondContact O-N 2.92Å; A254-R256 PolarHBondContact O-N 3.39Å
255	V	48.6	Very low	55.6	Low	122 Å²	122	104.1 Å²	104.1	74%	0.739	61%	0.607	S	S	*	*			trans	-68.4	97.7	-179.3	-179.3	0	0	0	0	109.4	S253 K257	S253-V255 PolarHBondContact O-N 3.39Å; V255-K257 PolarHBondContact O-N 3.18Å
256	R	50.3	Low	58.8	Low	168 Å²	168	98.6 Å²	98.6	63%	0.634	58%	0.578	S	S	*	*			trans	-61.3	125.9	164.5	-62	-169.7	-174.1	-178.9	2.7	107.9	A254 P258 D334	A254-R256 PolarHBondContact O-N 3.39Å; R256-P258 WeakPolarHBondContact O-CD 3.41Å; R256-D334 WeakPolarHBondContact CD-OD2 3.38Å; R256-D334 IonicContact CZ-OD2 3.62Å; R256-D334 IonicContact NE-OD2 3.95Å; R256-D334 IonicContact NH1-OD2 3.54Å; R256-D334 PolarHBondContact NH1-OD2 2.92Å
257	K	48.8	Very low	61.7	Low	197 Å²	197	93.4 Å²	93.4	86%	0.857	55%	0.551	S	S	*	*			trans	-93.7	106.3	163.5	-74	-175.1	176.7	-178.5	0	107.2	V255	V255-K257 PolarHBondContact O-N 3.18Å
258	P	59.9	Low	64.7	Low	57 Å²	57	86.7 Å²	86.7	37%	0.37	53%	0.525	S	S	.	.			trans	-80.8	144.1	-179.5	33.7	-34.9	0	0	0	110.6	R256 H332	R256-P258 WeakPolarHBondContact O-CD 3.41Å; P258-H332 VanDerWaalsContact CB-CD2 3.48Å; P258-H332 WeakPolarHBondContact CB-CD2 3.34Å; P258-H332 VanDerWaalsContact CG-CD2 3.5Å; P258-H332 WeakPolarHBondContact CG-CD2 3.26Å
259	G	89.1	Confident	67.6	Low	36 Å²	36	84 Å²	84	37%	0.371	50%	0.499	S	S	.	.			trans	-76.7	164.1	149.7	0	0	0	0	0	109.7	D333	G259-D333 WeakPolarHBondContact CA-OD2 3.43Å; G259-D333 VanDerWaalsContact O-CG 3.32Å; G259-D333 PolarHBondContact O-N 2.91Å
260	V	94.2	Very high	70.4	Confident	76 Å²	76	87.3 Å²	87.3	46%	0.461	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	138.4	175.7	-65	0	0	0	0	110.6	L330 V331	V260-L330 HydrophobicContact CB-CB 4.35Å; V260-L330 HydrophobicContact CG2-CB 4.4Å; V260-L330 HydrophobicContact CG2-CD1 4.11Å; V260-V331 CarbonylContact C-O 3.54Å; V260-V331 WeakPolarHBondContact CA-O 3.41Å; V260-V331 WeakPolarHBondContact CB-O 3.48Å
261	H	93.7	Very high	73.3	Confident	42 Å²	42	82.2 Å²	82.2	19%	0.194	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	163.7	177.1	63.1	-81.2	0	0	0	111.4	L330 V331 H332 D333	H261-L330 CarbonylContact O-C 3.6Å; H261-L330 VanDerWaalsContact O-CA 3.3Å; H261-L330 WeakPolarHBondContact O-CA 3.37Å; H261-V331 PolarHBondContact N-O 2.67Å; H261-V331 PolarHBondContact O-N 2.97Å; H261-H332 PolarHBondContact CE1-O 2.77Å; H261-D333 IonicContact CE1-OD1 2.84Å; H261-D333 IonicContact CG-OD1 3.67Å; H261-D333 PolarHBondContact N-OD1 2.8Å; H261-D333 IonicContact ND1-OD1 3.56Å; H261-D333 PolarHBondContact ND1-OD1 3.43Å
262	K	94.5	Very high	75.7	Confident	111 Å²	111	81 Å²	81	48%	0.483	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	138.4	171.9	-67.4	-176.6	-179.3	-174.5	0	110	L264 N329 L330	K262-L264 PolarHBondContact O-N 2.94Å; K262-N329 WeakPolarHBondContact CA-O 3.35Å; K262-L330 HydrophobicContact CG-CD2 3.73Å
263	V	93.1	Very high	78.5	Confident	6 Å²	6	77.9 Å²	77.9	4%	0.036	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-48.6	121.3	177.2	175.6	0	0	0	0	111.2	S265 N329 V331 G436 P440	V263-S265 PolarHBondContact O-N 3.39Å; V263-N329 HydrophobicContact CG2-CB 4.04Å; V263-N329 PolarHBondContact N-O 3.4Å; V263-N329 VanDerWaalsContact N-O 3.12Å; V263-V331 HydrophobicContact CG2-CG1 3.7Å; V263-V331 HydrophobicContact CG2-CG2 4.17Å; V263-G436 WeakPolarHBondContact CG1-O 3.24Å; V263-P440 HydrophobicContact CG1-CG 4.06Å; V263-P440 HydrophobicContact CG2-CG 4.06Å
264	L	90.7	Very high	80.9	Confident	56 Å²	56	77 Å²	77	29%	0.293	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-71.2	116.9	-171.5	-62.1	175.2	0	0	0	110.6	K262 L266 P364 G436 E439	K262-L264 PolarHBondContact O-N 2.94Å; L264-L266 HydrophobicContact CB-CB 4.47Å; L264-L266 PolarHBondContact O-N 2.89Å; L264-P364 HydrophobicContact CD1-CB 4.24Å; L264-P364 HydrophobicContact CD1-CG 4.06Å; L264-G436 VanDerWaalsContact O-CA 3.28Å; L264-G436 WeakPolarHBondContact O-CA 3.46Å; L264-G436 PolarHBondContact O-N 3.17Å; L264-E439 WeakPolarHBondContact CB-OE1 3.48Å; L264-E439 WeakPolarHBondContact CG-OE1 3.37Å; L264-E439 PolarHBondContact N-OE1 3.07Å
265	S	89.6	Confident	83.6	Confident	60 Å²	60	76.4 Å²	76.4	42%	0.42	42%	0.42	S	S	.	.			trans	-80.7	60.2	171.7	-61.5	0	0	0	0	110.5	V263 R322	V263-S265 PolarHBondContact O-N 3.39Å; S265-R322 PolarHBondContact OG-NH2 2.87Å
266	L	91.7	Very high	85.8	Confident	17 Å²	17	77.2 Å²	77.2	9%	0.089	42%	0.42	C	S	.	.			trans	-82.3	126.4	-177.4	-177.6	68.6	0	0	0	111.1	V85 L264 A268 R362 S363	V85-L266 HydrophobicContact CG2-CD1 4.48Å; L264-L266 HydrophobicContact CB-CB 4.47Å; L264-L266 PolarHBondContact O-N 2.89Å; L266-A268 HydrophobicContact CD1-CB 3.97Å; L266-A268 HydrophobicContact CG-CB 4.5Å; L266-R362 WeakPolarHBondContact O-CA 3.32Å; L266-S363 WeakPolarHBondContact CD2-O 3.28Å
267	D	92	Very high	87.9	Confident	26 Å²	26	70.4 Å²	70.4	14%	0.139	40%	0.399	C	S	.	.			trans	-144.2	90.2	162.5	-165.8	-5.6	0	0	0	109.1	R273 N361 R362 V435	D267-R273 VanDerWaalsContact CG-NH1 3.29Å; D267-R273 VanDerWaalsContact CG-NH2 3.26Å; D267-R273 IonicContact OD1-CZ 3.58Å; D267-R273 IonicContact OD1-NH1 3.52Å; D267-R273 IonicContact OD1-NH2 2.73Å; D267-R273 PolarHBondContact OD1-NH2 2.89Å; D267-R273 IonicContact OD2-CZ 2.66Å; D267-R273 IonicContact OD2-NH1 2.63Å; D267-R273 PolarHBondContact OD2-NH1 2.88Å; D267-R273 IonicContact OD2-NH2 3.99Å; D267-R273 PolarHBondContact OD2-NH2 2.87Å; D267-N361 WeakPolarHBondContact CA-O 3.5Å; D267-R362 HydrophobicContact CB-CG 4.15Å; D267-R362 VanDerWaalsContact CG-NE 3.3Å; D267-R362 IonicContact OD1-CZ 2.73Å; D267-R362 IonicContact OD1-NE 3.06Å; D267-R362 PolarHBondContact OD1-NE 3.32Å; D267-R362 IonicContact OD1-NH2 3.31Å; D267-R362 IonicContact OD2-CZ 2.98Å; D267-R362 IonicContact OD2-NE 3.78Å; D267-R362 PolarHBondContact OD2-NE 3.01Å; D267-R362 IonicContact OD2-NH2 2.62Å; D267-R362 PolarHBondContact OD2-NH2 2.8Å; D267-V435 HydrophobicContact CB-CG1 4.01Å
268	A	89.4	Confident	90.2	Very high	34 Å²	34	63.7 Å²	63.7	28%	0.281	38%	0.375	S	S	.	.			trans	-105.9	97.8	-169.9	0	0	0	0	0	112	L266 N361	L266-A268 HydrophobicContact CD1-CB 3.97Å; L266-A268 HydrophobicContact CG-CB 4.5Å; A268-N361 PolarHBondContact N-O 2.86Å; A268-N361 PolarHBondContact O-OD1 3.04Å
269	T	88.8	Confident	91.9	Very high	41 Å²	41	61.2 Å²	61.2	25%	0.252	36%	0.36	S	S	.	.			trans	-91.4	159.7	172.4	52	0	0	0	0	112.5	A271 R273 D315	T269-A271 WeakPolarHBondContact CB-O 3.34Å; T269-A271 PolarHBondContact OG1-O 3.42Å; T269-R273 HydrophobicContact CG2-CG 4.38Å; T269-R273 VanDerWaalsContact CG2-NH2 3.31Å; T269-D315 HydrophobicContact CG2-CB 4.16Å; T269-D315 WeakPolarHBondContact CG2-OD2 3.3Å
270	H	82.9	Confident	92.2	Very high	148 Å²	148	59.9 Å²	59.9	69%	0.685	34%	0.344	S	S	*	.	S	Bend	trans	-74.1	-24.9	177.5	-80	-102.2	0	0	0	113.6	R87	R87-H270 PolarHBondContact NH1-NE2 3.35Å
271	A	87.7	Confident	92.3	Very high	58 Å²	58	60.4 Å²	60.4	48%	0.479	34%	0.34	S	S	.	.	S	Bend	trans	-138	159.8	174.8	0	0	0	0	0	110.2	T269 R273	T269-A271 WeakPolarHBondContact CB-O 3.34Å; T269-A271 PolarHBondContact OG1-O 3.42Å; A271-R273 PolarHBondContact O-N 2.78Å
272	P	90.6	Very high	92.4	Very high	129 Å²	129	58.6 Å²	58.6	84%	0.838	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-61.3	133.9	169.3	-19.9	33	0	0	0	110.8
273	R	92.8	Very high	92.5	Very high	51 Å²	51	57.4 Å²	57.4	19%	0.192	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-71.7	137.8	176.6	-59.9	176.3	176.5	124.8	-5.1	110.5	D267 T269 A271 P275 D315 R362	D267-R273 VanDerWaalsContact CG-NH1 3.29Å; D267-R273 VanDerWaalsContact CG-NH2 3.26Å; D267-R273 IonicContact OD1-CZ 3.58Å; D267-R273 IonicContact OD1-NH1 3.52Å; D267-R273 IonicContact OD1-NH2 2.73Å; D267-R273 PolarHBondContact OD1-NH2 2.89Å; D267-R273 IonicContact OD2-CZ 2.66Å; D267-R273 IonicContact OD2-NH1 2.63Å; D267-R273 PolarHBondContact OD2-NH1 2.88Å; D267-R273 IonicContact OD2-NH2 3.99Å; D267-R273 PolarHBondContact OD2-NH2 2.87Å; T269-R273 HydrophobicContact CG2-CG 4.38Å; T269-R273 VanDerWaalsContact CG2-NH2 3.31Å; A271-R273 PolarHBondContact O-N 2.78Å; R273-P275 WeakPolarHBondContact O-CD 3.34Å; R273-D315 PolarHBondContact NE-O 2.94Å; R273-D315 PolarHBondContact NH2-O 3.24Å; R273-R362 VanDerWaalsContact NH2-NH2 3.19Å
274	D	93.6	Very high	92.6	Very high	86 Å²	86	60.5 Å²	60.5	46%	0.46	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-65.4	118.4	166.1	170.1	22.3	0	0	0	109.4	N276 A277	D274-N276 PolarHBondContact O-N 3.41Å; D274-N276 WeakPolarHBondContact OD1-CB 3.09Å; D274-N276 PolarHBondContact OD1-N 2.04Å; D274-N276 PolarHBondContact OD1-ND2 3.22Å; D274-A277 HydrophobicContact CB-CB 4.21Å; D274-A277 WeakPolarHBondContact O-CB 3.34Å; D274-A277 PolarHBondContact O-N 3.31Å; D274-A277 PolarHBondContact OD2-N 3.42Å
275	P	93.4	Very high	92.9	Very high	84 Å²	84	59.1 Å²	59.1	55%	0.545	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-14	179.8	29.4	-35.9	0	0	0	113.6	R273 F281	R273-P275 WeakPolarHBondContact O-CD 3.34Å; P275-F281 HydrophobicContact CB-CE2 4.01Å
276	N	94.4	Very high	93	Very high	139 Å²	139	63.9 Å²	63.9	74%	0.743	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-2.4	-179.9	-46.9	-80.6	0	0	0	113.1	D274	D274-N276 PolarHBondContact O-N 3.41Å; D274-N276 WeakPolarHBondContact OD1-CB 3.09Å; D274-N276 PolarHBondContact OD1-N 2.04Å; D274-N276 PolarHBondContact OD1-ND2 3.22Å
277	A	95.4	Very high	93	Very high	24 Å²	24	64.8 Å²	64.8	20%	0.198	37%	0.367	C	S	.	.	S	Bend	trans	-63.5	150.5	-177.1	0	0	0	0	0	112.4	D274 G279 Q280 P313	D274-A277 HydrophobicContact CB-CB 4.21Å; D274-A277 WeakPolarHBondContact O-CB 3.34Å; D274-A277 PolarHBondContact O-N 3.31Å; D274-A277 PolarHBondContact OD2-N 3.42Å; A277-G279 PolarHBondContact O-N 3.32Å; A277-Q280 HydrophobicContact CB-CB 4.17Å; A277-Q280 WeakPolarHBondContact O-CB 3.12Å; A277-Q280 PolarHBondContact O-N 2.88Å; A277-Q280 VanDerWaalsContact O-N 3.15Å; A277-P313 HydrophobicContact CB-CG 3.8Å
278	V	96	Very high	92.9	Very high	57 Å²	57	67.3 Å²	67.3	35%	0.345	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	127.6	-176.8	-179.3	0	0	0	0	110.4	Q280 V285 L308 Q311 I312 P313	V278-Q280 PolarHBondContact O-N 3.02Å; V278-Q280 VanDerWaalsContact O-N 3.16Å; V278-V285 HydrophobicContact CG1-CB 4.41Å; V278-V285 HydrophobicContact CG1-CG1 3.83Å; V278-V285 HydrophobicContact CG1-CG2 3.83Å; V278-L308 HydrophobicContact CG1-CD1 3.78Å; V278-Q311 HydrophobicContact CG1-CB 4.37Å; V278-I312 HydrophobicContact CG1-CG1 4.1Å; V278-I312 WeakPolarHBondContact O-CG1 3.2Å; V278-P313 VanDerWaalsContact O-CD 3.29Å; V278-P313 WeakPolarHBondContact O-CD 3.26Å
279	G	95.8	Very high	92.9	Very high	5 Å²	5	68.2 Å²	68.2	5%	0.052	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	66	11.5	178.7	0	0	0	0	0	115.3	A277 G282 V285 R316	A277-G279 PolarHBondContact O-N 3.32Å; G279-G282 PolarHBondContact O-N 2.93Å; G279-V285 VanDerWaalsContact CA-CG2 3.45Å; G279-V285 VanDerWaalsContact N-CG2 3.3Å; G279-R316 WeakPolarHBondContact O-CD 3.03Å; G279-R316 PolarHBondContact O-NH1 3.32Å
280	Q	96.4	Very high	93.1	Very high	7 Å²	7	71.2 Å²	71.2	3%	0.033	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-62	149.8	177.6	174.8	54.9	13.7	0	0	111.7	A277 V278 G282 Q283	A277-Q280 HydrophobicContact CB-CB 4.17Å; A277-Q280 WeakPolarHBondContact O-CB 3.12Å; A277-Q280 PolarHBondContact O-N 2.88Å; A277-Q280 VanDerWaalsContact O-N 3.15Å; V278-Q280 PolarHBondContact O-N 3.02Å; V278-Q280 VanDerWaalsContact O-N 3.16Å; Q280-G282 PolarHBondContact O-N 2.83Å; Q280-Q283 VanDerWaalsContact O-CG 3.31Å; Q280-Q283 WeakPolarHBondContact O-CG 3.1Å; Q280-Q283 PolarHBondContact O-N 2.9Å
281	F	95.8	Very high	93.5	Very high	88 Å²	88	68.1 Å²	68.1	39%	0.386	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	52.7	37.2	-174	-52.7	-63.3	0	0	0	113.6	P275 Q283 G317	P275-F281 HydrophobicContact CB-CE2 4.01Å; F281-Q283 PolarHBondContact O-N 3.17Å; F281-Q283 VanDerWaalsContact O-N 3.09Å; F281-Q283 PolarHBondContact O-NE2 3.07Å; F281-G317 CarbonylContact C-O 3.51Å; F281-G317 WeakPolarHBondContact CA-O 3.02Å; F281-G317 PolarHBondContact N-O 3.46Å
282	G	95.8	Very high	93.6	Very high	3 Å²	3	69.3 Å²	69.3	3%	0.031	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	59.3	17.4	179.8	0	0	0	0	0	115.5	G279 Q280 G317 S466 Y467	G279-G282 PolarHBondContact O-N 2.93Å; Q280-G282 PolarHBondContact O-N 2.83Å; G282-G317 PolarHBondContact N-O 3.07Å; G282-S466 CarbonylContact O-C 3.57Å; G282-S466 VanDerWaalsContact O-CA 3.31Å; G282-S466 WeakPolarHBondContact O-CA 3.34Å; G282-Y467 PolarHBondContact O-N 3.01Å
283	Q	96.1	Very high	93.7	Very high	87 Å²	87	66.5 Å²	66.5	41%	0.407	39%	0.39	S	S	.	.			trans	-71.7	145.8	-175.4	-62.1	-57.1	-77.5	0	0	112.3	Q280 F281	Q280-Q283 VanDerWaalsContact O-CG 3.31Å; Q280-Q283 WeakPolarHBondContact O-CG 3.1Å; Q280-Q283 PolarHBondContact O-N 2.9Å; F281-Q283 PolarHBondContact O-N 3.17Å; F281-Q283 VanDerWaalsContact O-N 3.09Å; F281-Q283 PolarHBondContact O-NE2 3.07Å
284	P	96.6	Very high	93.7	Very high	71 Å²	71	67 Å²	67	46%	0.461	40%	0.395	S	S	.	.			trans	-64.7	137.5	174.1	26.7	-34.2	0	0	0	111.4	D464	P284-D464 HydrophobicContact CB-CB 4.31Å; P284-D464 VanDerWaalsContact CB-OD2 3.24Å; P284-D464 WeakPolarHBondContact CB-OD2 3.36Å
285	V	95.4	Very high	93.7	Very high	27 Å²	27	63.9 Å²	63.9	16%	0.164	38%	0.378	C	S	.	.			trans	-111.1	109.8	176.4	-173.9	0	0	0	0	111	V278 G279 L287 L308 D464	V278-V285 HydrophobicContact CG1-CB 4.41Å; V278-V285 HydrophobicContact CG1-CG1 3.83Å; V278-V285 HydrophobicContact CG1-CG2 3.83Å; G279-V285 VanDerWaalsContact CA-CG2 3.45Å; G279-V285 VanDerWaalsContact N-CG2 3.3Å; V285-L287 HydrophobicContact CG1-CD2 4.35Å; V285-L287 PolarHBondContact O-N 3.19Å; V285-L308 HydrophobicContact CB-CD1 3.66Å; V285-L308 HydrophobicContact CB-CD2 3.88Å; V285-L308 HydrophobicContact CB-CG 4.4Å; V285-L308 HydrophobicContact CG1-CD1 3.6Å; V285-L308 HydrophobicContact CG2-CD1 4.02Å; V285-D464 PolarHBondContact N-O 3.08Å
286	I	92.7	Very high	93.6	Very high	160 Å²	160	66.1 Å²	66.1	82%	0.821	38%	0.383	S	S	*	.			trans	-83.7	109.4	172	-56.6	176.1	0	0	0	108.5
287	L	90.7	Very high	93.6	Very high	36 Å²	36	66.2 Å²	66.2	19%	0.188	38%	0.377	C	S	.	.			trans	-78	146.3	172.6	-67.3	177.4	0	0	0	111.2	V285 K291 V295 Y307 L308	V285-L287 HydrophobicContact CG1-CD2 4.35Å; V285-L287 PolarHBondContact O-N 3.19Å; L287-K291 HydrophobicContact CB-CB 4.46Å; L287-V295 HydrophobicContact CD1-CG2 3.64Å; L287-Y307 HydrophobicContact CD1-CD1 3.79Å; L287-Y307 HydrophobicContact CD1-CE1 4.06Å; L287-Y307 HydrophobicContact CD2-CE1 4.46Å; L287-L308 HydrophobicContact CD1-CB 4.28Å; L287-L308 HydrophobicContact CD2-CD1 4.36Å
288	P	90.5	Very high	93.5	Very high	79 Å²	79	67.3 Å²	67.3	51%	0.513	38%	0.376	S	S	.	.			trans	-68.1	142.8	171.8	28.9	-33.5	0	0	0	110.4	S290 K291	P288-S290 PolarHBondContact O-N 3.17Å; P288-K291 HydrophobicContact CG-CG 4.14Å; P288-K291 WeakPolarHBondContact O-CB 3.19Å; P288-K291 PolarHBondContact O-N 3.2Å
289	G	89.3	Confident	93.4	Very high	53 Å²	53	67.7 Å²	67.7	55%	0.546	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-57.7	-20.9	-172.1	0	0	0	0	0	115.7	K291 N292	G289-K291 PolarHBondContact O-N 3.34Å; G289-N292 VanDerWaalsContact O-CB 3.29Å; G289-N292 WeakPolarHBondContact O-CB 3.25Å; G289-N292 VanDerWaalsContact O-CG 3.23Å; G289-N292 PolarHBondContact O-N 2.83Å; G289-N292 VanDerWaalsContact O-N 3.08Å
290	S	92.4	Very high	93.1	Very high	104 Å²	104	73 Å²	73	73%	0.727	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-62.3	-15.4	171.3	55.2	0	0	0	0	114.1	P288	P288-S290 PolarHBondContact O-N 3.17Å
291	K	91.9	Very high	92.8	Very high	82 Å²	82	76.3 Å²	76.3	36%	0.357	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-91.4	-10.6	174.2	-60.9	-59	-171.6	170.5	0	114	L287 P288 G289 A293 E294 V295 Y307	L287-K291 HydrophobicContact CB-CB 4.46Å; P288-K291 HydrophobicContact CG-CG 4.14Å; P288-K291 WeakPolarHBondContact O-CB 3.19Å; P288-K291 PolarHBondContact O-N 3.2Å; G289-K291 PolarHBondContact O-N 3.34Å; K291-A293 PolarHBondContact O-N 3.09Å; K291-A293 VanDerWaalsContact O-N 3.16Å; K291-E294 PolarHBondContact O-N 2.79Å; K291-V295 WeakPolarHBondContact O-CG2 3.27Å; K291-V295 PolarHBondContact O-N 2.9Å; K291-Y307 HydrophobicContact CB-CE1 3.98Å; K291-Y307 HydrophobicContact CD-CE1 3.98Å; K291-Y307 WeakPolarHBondContact CD-OH 3.43Å; K291-Y307 VanDerWaalsContact CE-OH 3.27Å; K291-Y307 WeakPolarHBondContact CE-OH 3.43Å; K291-Y307 HydrophobicContact CG-CE1 3.99Å; K291-Y307 PolarHBondContact NZ-OH 3.05Å
292	N	90.5	Very high	92.6	Very high	84 Å²	84	72.1 Å²	72.1	45%	0.449	40%	0.396	S	S	.	.	H	α-helix	trans	-57.5	-35.6	-174.1	-69	-1.6	0	0	0	113	G289 V295 M296	G289-N292 VanDerWaalsContact O-CB 3.29Å; G289-N292 WeakPolarHBondContact O-CB 3.25Å; G289-N292 VanDerWaalsContact O-CG 3.23Å; G289-N292 PolarHBondContact O-N 2.83Å; G289-N292 VanDerWaalsContact O-N 3.08Å; N292-V295 PolarHBondContact O-N 3.39Å; N292-M296 WeakPolarHBondContact O-CB 3.48Å; N292-M296 WeakPolarHBondContact O-CG 3.45Å; N292-M296 PolarHBondContact O-N 3.37Å
293	A	92.5	Very high	92.5	Very high	69 Å²	69	73 Å²	73	57%	0.57	40%	0.399	S	S	*	.	H	α-helix	trans	-62.1	-43.1	176.7	0	0	0	0	0	112.7	K291 K297	K291-A293 PolarHBondContact O-N 3.09Å; K291-A293 VanDerWaalsContact O-N 3.16Å; A293-K297 VanDerWaalsContact O-CB 3.26Å; A293-K297 WeakPolarHBondContact O-CB 3.45Å; A293-K297 PolarHBondContact O-N 3.2Å
294	E	92.9	Very high	92.4	Very high	63 Å²	63	68.8 Å²	68.8	29%	0.294	38%	0.379	S	S	.	.	H	α-helix	trans	-73.2	-37	177.9	-168.1	61.8	-150.9	0	0	111.2	K291 K297 R298 Y307	K291-E294 PolarHBondContact O-N 2.79Å; E294-K297 PolarHBondContact O-N 3.48Å; E294-K297 IonicContact OE1-NZ 3.45Å; E294-K297 PolarHBondContact OE1-NZ 3.43Å; E294-K297 WeakPolarHBondContact OE2-CD 3.5Å; E294-K297 IonicContact OE2-NZ 2.86Å; E294-K297 PolarHBondContact OE2-NZ 2.86Å; E294-R298 HydrophobicContact CG-CG 4.43Å; E294-R298 WeakPolarHBondContact O-CB 3.49Å; E294-R298 WeakPolarHBondContact O-CG 3.43Å; E294-R298 PolarHBondContact O-N 2.88Å; E294-R298 WeakPolarHBondContact OE1-CD 3.47Å; E294-R298 WeakPolarHBondContact OE1-CG 3.28Å; E294-Y307 HydrophobicContact CG-CD2 3.79Å; E294-Y307 HydrophobicContact CG-CE2 4.19Å; E294-Y307 HydrophobicContact CG-CG 4.29Å
295	V	93.3	Very high	92.4	Very high	19 Å²	19	65.8 Å²	65.8	12%	0.115	36%	0.359	C	S	.	.	H	α-helix	trans	-59.5	-47.8	172.9	175.3	0	0	0	0	111.1	L287 K291 N292 R298 W299 N305 Y307	L287-V295 HydrophobicContact CD1-CG2 3.64Å; K291-V295 WeakPolarHBondContact O-CG2 3.27Å; K291-V295 PolarHBondContact O-N 2.9Å; N292-V295 PolarHBondContact O-N 3.39Å; V295-R298 PolarHBondContact O-N 3.2Å; V295-W299 HydrophobicContact CG1-CE3 4.43Å; V295-W299 WeakPolarHBondContact O-CB 3.36Å; V295-W299 PolarHBondContact O-N 3.37Å; V295-N305 HydrophobicContact CG1-CB 4.43Å; V295-Y307 HydrophobicContact CG2-CD1 3.83Å; V295-Y307 HydrophobicContact CG2-CG 4.4Å
296	M	91.9	Very high	92.4	Very high	131 Å²	131	64.5 Å²	64.5	65%	0.645	35%	0.352	S	S	*	.	H	α-helix	trans	-65.4	-42	178	-71.5	-174.7	-62.2	0	0	112.3	N292 R298 W299	N292-M296 WeakPolarHBondContact O-CB 3.48Å; N292-M296 WeakPolarHBondContact O-CG 3.45Å; N292-M296 PolarHBondContact O-N 3.37Å; M296-R298 PolarHBondContact O-N 3.47Å; M296-W299 WeakPolarHBondContact O-CB 3.44Å; M296-W299 PolarHBondContact O-N 2.61Å
297	K	94.1	Very high	92.6	Very high	141 Å²	141	58.8 Å²	58.8	61%	0.613	32%	0.32	S	S	*	.	H	α-helix	trans	-58.9	-44.2	175.9	170.1	178.9	160	-121.8	0	112.2	A293 E294	A293-K297 VanDerWaalsContact O-CB 3.26Å; A293-K297 WeakPolarHBondContact O-CB 3.45Å; A293-K297 PolarHBondContact O-N 3.2Å; E294-K297 PolarHBondContact O-N 3.48Å; E294-K297 IonicContact OE1-NZ 3.45Å; E294-K297 PolarHBondContact OE1-NZ 3.43Å; E294-K297 WeakPolarHBondContact OE2-CD 3.5Å; E294-K297 IonicContact OE2-NZ 2.86Å; E294-K297 PolarHBondContact OE2-NZ 2.86Å
298	R	93.9	Very high	92.9	Very high	47 Å²	47	57 Å²	57	18%	0.177	31%	0.311	C	S	.	.	H	α-helix	trans	-86.4	-9.1	-179.3	-60.3	-161.5	65.7	-153.2	-6.7	114.2	E294 V295 M296 N300 E301 V306 D310	E294-R298 HydrophobicContact CG-CG 4.43Å; E294-R298 WeakPolarHBondContact O-CB 3.49Å; E294-R298 WeakPolarHBondContact O-CG 3.43Å; E294-R298 PolarHBondContact O-N 2.88Å; E294-R298 WeakPolarHBondContact OE1-CD 3.47Å; E294-R298 WeakPolarHBondContact OE1-CG 3.28Å; V295-R298 PolarHBondContact O-N 3.2Å; M296-R298 PolarHBondContact O-N 3.47Å; R298-N300 PolarHBondContact O-N 2.9Å; R298-E301 VanDerWaalsContact CB-OE1 3.32Å; R298-E301 WeakPolarHBondContact CB-OE1 3.32Å; R298-E301 WeakPolarHBondContact CG-OE1 3.48Å; R298-E301 IonicContact CZ-OE1 3.82Å; R298-E301 IonicContact CZ-OE2 3.68Å; R298-E301 IonicContact NE-OE1 3.92Å; R298-E301 PolarHBondContact NE-OE1 2.78Å; R298-E301 IonicContact NE-OE2 3.15Å; R298-E301 PolarHBondContact NE-OE2 2.92Å; R298-E301 IonicContact NH2-OE1 2.75Å; R298-E301 IonicContact NH2-OE2 3.55Å; R298-E301 PolarHBondContact NH2-OE2 3.22Å; R298-E301 VanDerWaalsContact O-CB 3.3Å; R298-E301 WeakPolarHBondContact O-CB 3.25Å; R298-E301 PolarHBondContact O-N 2.76Å; R298-V306 VanDerWaalsContact NH2-CG1 3.31Å; R298-D310 IonicContact CZ-OD2 3.83Å; R298-D310 IonicContact NH1-OD2 3.69Å; R298-D310 PolarHBondContact NH1-OD2 3.47Å; R298-D310 IonicContact NH2-OD2 3.19Å; R298-D310 PolarHBondContact NH2-OD2 3.32Å
299	W	92.8	Very high	93.2	Very high	65 Å²	65	53.3 Å²	53.3	25%	0.246	29%	0.286	C	S	.	.	H	α-helix	trans	-55	-40.3	-179.6	-170.8	-94.5	0	0	0	112.6	V295 M296 E301 G302 H303 F304 N305 D462 K463	V295-W299 HydrophobicContact CG1-CE3 4.43Å; V295-W299 WeakPolarHBondContact O-CB 3.36Å; V295-W299 PolarHBondContact O-N 3.37Å; M296-W299 WeakPolarHBondContact O-CB 3.44Å; M296-W299 PolarHBondContact O-N 2.61Å; W299-E301 PolarHBondContact O-N 2.75Å; W299-G302 PolarHBondContact O-N 3.16Å; W299-H303 AromaticContact CD1-ND1 3.96Å; W299-H303 WeakPolarHBondContact O-CA 3.32Å; W299-H303 PolarHBondContact O-N 3.26Å; W299-F304 VanDerWaalsContact CE3-C 3.5Å; W299-F304 VanDerWaalsContact CZ3-C 3.49Å; W299-N305 HydrophobicContact CZ3-CB 4.21Å; W299-D462 HydrophobicContact CH2-CB 4.16Å; W299-D462 WeakPolarHBondContact CH2-O 3.16Å; W299-D462 WeakPolarHBondContact CH2-OD2 3.28Å; W299-D462 WeakPolarHBondContact CZ3-O 3.29Å; W299-K463 HydrophobicContact CH2-CG 4.04Å; W299-K463 HydrophobicContact CZ3-CG 4.42Å
300	N	89	Confident	93.6	Very high	116 Å²	116	54 Å²	54	62%	0.62	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	1.6	-178.4	-65.6	-25.7	0	0	0	114.3	R298	R298-N300 PolarHBondContact O-N 2.9Å
301	E	91.6	Very high	93.8	Very high	78 Å²	78	53 Å²	53	36%	0.364	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-27.8	169.8	-65.7	172.8	-144.3	0	0	112.1	R298 W299 V306	R298-E301 VanDerWaalsContact CB-OE1 3.32Å; R298-E301 WeakPolarHBondContact CB-OE1 3.32Å; R298-E301 WeakPolarHBondContact CG-OE1 3.48Å; R298-E301 IonicContact CZ-OE1 3.82Å; R298-E301 IonicContact CZ-OE2 3.68Å; R298-E301 IonicContact NE-OE1 3.92Å; R298-E301 PolarHBondContact NE-OE1 2.78Å; R298-E301 IonicContact NE-OE2 3.15Å; R298-E301 PolarHBondContact NE-OE2 2.92Å; R298-E301 IonicContact NH2-OE1 2.75Å; R298-E301 IonicContact NH2-OE2 3.55Å; R298-E301 PolarHBondContact NH2-OE2 3.22Å; R298-E301 VanDerWaalsContact O-CB 3.3Å; R298-E301 WeakPolarHBondContact O-CB 3.25Å; R298-E301 PolarHBondContact O-N 2.76Å; W299-E301 PolarHBondContact O-N 2.75Å; E301-V306 HydrophobicContact CB-CG2 4.05Å
302	G	89.9	Confident	94	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-150.8	-4.1	-179	0	0	0	0	0	116.7	W299 F304 R566	W299-G302 PolarHBondContact O-N 3.16Å; G302-F304 VanDerWaalsContact C-N 3.35Å; G302-F304 VanDerWaalsContact O-CD1 3.3Å; G302-F304 WeakPolarHBondContact O-CD1 3.46Å; G302-R566 WeakPolarHBondContact O-CD 3.32Å; G302-R566 PolarHBondContact O-NE 3.39Å
303	H	93.8	Very high	94.3	Very high	20 Å²	20	46.8 Å²	46.8	9%	0.093	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	40.3	-168.1	-58.2	-53.8	0	0	0	114.7	W299 R566 Q568 P570	W299-H303 AromaticContact CD1-ND1 3.96Å; W299-H303 WeakPolarHBondContact O-CA 3.32Å; W299-H303 PolarHBondContact O-N 3.26Å; H303-R566 HydrophobicContact CB-CB 4.35Å; H303-Q568 HydrophobicContact CB-CB 4.39Å; H303-Q568 PolarHBondContact CD2-O 3.38Å; H303-P570 VanDerWaalsContact CD2-CA 3.5Å; H303-P570 WeakPolarHBondContact CD2-CA 3.31Å
304	F	95.3	Very high	94.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	-151.5	179.1	165.5	62.3	-86.4	0	0	0	108.8	W299 G302 V306 V348 T351 D462 M465 I564 R566	W299-F304 VanDerWaalsContact CE3-C 3.5Å; W299-F304 VanDerWaalsContact CZ3-C 3.49Å; G302-F304 VanDerWaalsContact C-N 3.35Å; G302-F304 VanDerWaalsContact O-CD1 3.3Å; G302-F304 WeakPolarHBondContact O-CD1 3.46Å; F304-V306 VanDerWaalsContact C-N 3.28Å; F304-V306 HydrophobicContact CD2-CG2 4.2Å; F304-V306 HydrophobicContact CE1-CG2 4.32Å; F304-V306 HydrophobicContact CE2-CG2 3.92Å; F304-V306 HydrophobicContact CZ-CG2 3.98Å; F304-V306 PolarHBondContact O-N 2.87Å; F304-V348 HydrophobicContact CE1-CG2 4.14Å; F304-V348 HydrophobicContact CE2-CG1 4.47Å; F304-V348 HydrophobicContact CZ-CB 3.83Å; F304-V348 HydrophobicContact CZ-CG1 3.96Å; F304-V348 HydrophobicContact CZ-CG2 3.78Å; F304-T351 HydrophobicContact CE2-CG2 3.65Å; F304-T351 HydrophobicContact CZ-CG2 3.52Å; F304-D462 CarbonylContact C-O 3.46Å; F304-D462 WeakPolarHBondContact CA-O 3.45Å; F304-D462 HydrophobicContact CB-CB 4.04Å; F304-D462 WeakPolarHBondContact CB-O 3.34Å; F304-M465 HydrophobicContact CD2-SD 4.09Å; F304-I564 HydrophobicContact CB-CG2 3.9Å; F304-I564 HydrophobicContact CD1-CG2 4.04Å; F304-I564 HydrophobicContact CD2-CD1 4.49Å; F304-I564 HydrophobicContact CD2-CG2 4.42Å; F304-I564 HydrophobicContact CE2-CD1 4.34Å; F304-I564 HydrophobicContact CG-CG2 3.88Å; F304-R566 HydrophobicContact CD1-CG 4.35Å
305	N	96.1	Very high	94.6	Very high	7 Å²	7	43 Å²	43	4%	0.037	21%	0.207	C	C	.	.			trans	-74.5	74.7	179.9	-169.1	-9.6	0	0	0	112.3	V295 W299 Y307 L308 S309 D462 K463	V295-N305 HydrophobicContact CG1-CB 4.43Å; W299-N305 HydrophobicContact CZ3-CB 4.21Å; N305-Y307 VanDerWaalsContact C-N 3.29Å; N305-Y307 PolarHBondContact O-N 3.46Å; N305-L308 HydrophobicContact CB-CB 4.11Å; N305-L308 WeakPolarHBondContact ND2-CB 3.46Å; N305-L308 PolarHBondContact O-N 2.77Å; N305-L308 VanDerWaalsContact O-N 3.12Å; N305-L308 WeakPolarHBondContact OD1-CB 3.26Å; N305-L308 PolarHBondContact OD1-N 2.76Å; N305-S309 PolarHBondContact O-N 2.03Å; N305-D462 PolarHBondContact N-O 2.66Å; N305-K463 WeakPolarHBondContact CB-O 3.49Å; N305-K463 PolarHBondContact ND2-O 3.33Å
306	V	96.1	Very high	94.7	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.006	20%	0.202	C	C	.	.	H	α-helix	trans	-59.3	-39.4	179.4	-175.7	0	0	0	0	111.8	R298 E301 F304 L308 S309 D310 V348	R298-V306 VanDerWaalsContact NH2-CG1 3.31Å; E301-V306 HydrophobicContact CB-CG2 4.05Å; F304-V306 VanDerWaalsContact C-N 3.28Å; F304-V306 HydrophobicContact CD2-CG2 4.2Å; F304-V306 HydrophobicContact CE1-CG2 4.32Å; F304-V306 HydrophobicContact CE2-CG2 3.92Å; F304-V306 HydrophobicContact CZ-CG2 3.98Å; F304-V306 PolarHBondContact O-N 2.87Å; V306-L308 VanDerWaalsContact C-N 3.25Å; V306-L308 PolarHBondContact O-N 3.01Å; V306-S309 PolarHBondContact O-N 3.22Å; V306-S309 VanDerWaalsContact O-N 3.13Å; V306-D310 PolarHBondContact O-N 3.07Å; V306-V348 HydrophobicContact CG1-CG1 3.73Å; V306-V348 HydrophobicContact CG1-CG2 3.97Å; V306-V348 HydrophobicContact CG2-CG2 3.81Å
307	Y	96.1	Very high	94.9	Very high	39 Å²	39	36 Å²	36	15%	0.153	17%	0.171	C	C	.	.	H	α-helix	trans	-55.4	-40.3	175.3	175.4	-105.4	0	0	0	112.3	L287 K291 E294 V295 N305 Q311	L287-Y307 HydrophobicContact CD1-CD1 3.79Å; L287-Y307 HydrophobicContact CD1-CE1 4.06Å; L287-Y307 HydrophobicContact CD2-CE1 4.46Å; K291-Y307 HydrophobicContact CB-CE1 3.98Å; K291-Y307 HydrophobicContact CD-CE1 3.98Å; K291-Y307 WeakPolarHBondContact CD-OH 3.43Å; K291-Y307 VanDerWaalsContact CE-OH 3.27Å; K291-Y307 WeakPolarHBondContact CE-OH 3.43Å; K291-Y307 HydrophobicContact CG-CE1 3.99Å; K291-Y307 PolarHBondContact NZ-OH 3.05Å; E294-Y307 HydrophobicContact CG-CD2 3.79Å; E294-Y307 HydrophobicContact CG-CE2 4.19Å; E294-Y307 HydrophobicContact CG-CG 4.29Å; V295-Y307 HydrophobicContact CG2-CD1 3.83Å; V295-Y307 HydrophobicContact CG2-CG 4.4Å; N305-Y307 VanDerWaalsContact C-N 3.29Å; N305-Y307 PolarHBondContact O-N 3.46Å; Y307-Q311 PolarHBondContact O-NE2 3.01Å
308	L	96.7	Very high	95.1	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-74.1	-44.4	173.9	175.2	56.8	0	0	0	112.2	V278 V285 L287 N305 V306 D310 Q311 I312 M465	V278-L308 HydrophobicContact CG1-CD1 3.78Å; V285-L308 HydrophobicContact CB-CD1 3.66Å; V285-L308 HydrophobicContact CB-CD2 3.88Å; V285-L308 HydrophobicContact CB-CG 4.4Å; V285-L308 HydrophobicContact CG1-CD1 3.6Å; V285-L308 HydrophobicContact CG2-CD1 4.02Å; L287-L308 HydrophobicContact CD1-CB 4.28Å; L287-L308 HydrophobicContact CD2-CD1 4.36Å; N305-L308 HydrophobicContact CB-CB 4.11Å; N305-L308 WeakPolarHBondContact ND2-CB 3.46Å; N305-L308 PolarHBondContact O-N 2.77Å; N305-L308 VanDerWaalsContact O-N 3.12Å; N305-L308 WeakPolarHBondContact OD1-CB 3.26Å; N305-L308 PolarHBondContact OD1-N 2.76Å; V306-L308 VanDerWaalsContact C-N 3.25Å; V306-L308 PolarHBondContact O-N 3.01Å; L308-D310 PolarHBondContact O-N 2.81Å; L308-Q311 PolarHBondContact O-N 2.88Å; L308-I312 HydrophobicContact CD1-CD1 4.1Å; L308-I312 HydrophobicContact CD1-CG1 4.22Å; L308-I312 HydrophobicContact CG-CD1 3.94Å; L308-I312 HydrophobicContact CG-CG1 4.49Å; L308-I312 WeakPolarHBondContact O-CG1 3.44Å; L308-I312 PolarHBondContact O-N 3.03Å; L308-M465 HydrophobicContact CB-CG 4.36Å; L308-M465 HydrophobicContact CD2-CB 4.01Å; L308-M465 HydrophobicContact CD2-CG 3.66Å; L308-M465 HydrophobicContact CG-CB 4.33Å; L308-M465 HydrophobicContact CG-CG 3.78Å
309	S	97.6	Very high	95.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-55.9	-37.4	179.5	-177.2	0	0	0	0	112.6	N305 V306 Q311 I312 S350 T351 R354	N305-S309 PolarHBondContact O-N 2.03Å; V306-S309 PolarHBondContact O-N 3.22Å; V306-S309 VanDerWaalsContact O-N 3.13Å; S309-Q311 PolarHBondContact O-N 2.9Å; S309-I312 PolarHBondContact O-N 2.71Å; S309-S350 WeakPolarHBondContact CB-OG 3.28Å; S309-S350 PolarHBondContact OG-OG 3.01Å; S309-T351 WeakPolarHBondContact OG-CG2 3.33Å; S309-R354 PolarHBondContact O-NH2 3.45Å; S309-R354 PolarHBondContact OG-NH1 2.88Å
310	D	97.1	Very high	95.2	Very high	69 Å²	69	30 Å²	30	37%	0.369	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-12.8	179	-65.9	-14.9	0	0	0	113.9	R298 V306 L308 S350	R298-D310 IonicContact CZ-OD2 3.83Å; R298-D310 IonicContact NH1-OD2 3.69Å; R298-D310 PolarHBondContact NH1-OD2 3.47Å; R298-D310 IonicContact NH2-OD2 3.19Å; R298-D310 PolarHBondContact NH2-OD2 3.32Å; V306-D310 PolarHBondContact O-N 3.07Å; L308-D310 PolarHBondContact O-N 2.81Å; D310-S350 WeakPolarHBondContact OD1-CB 3.29Å; D310-S350 PolarHBondContact OD1-OG 3.22Å
311	Q	96.2	Very high	95.4	Very high	82 Å²	82	25.5 Å²	25.5	38%	0.383	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-12.8	174.6	-70.6	167.5	94.4	0	0	113.3	V278 Y307 L308 S309	V278-Q311 HydrophobicContact CG1-CB 4.37Å; Y307-Q311 PolarHBondContact O-NE2 3.01Å; L308-Q311 PolarHBondContact O-N 2.88Å; S309-Q311 PolarHBondContact O-N 2.9Å
312	I	97.6	Very high	95.6	Very high	6 Å²	6	22.7 Å²	22.7	3%	0.031	12%	0.119	C	C	.	.	S	Bend	trans	-88.4	133.1	-179.1	-65.7	173.9	0	0	0	109.3	V278 L308 S309 R316 R354 M465	V278-I312 HydrophobicContact CG1-CG1 4.1Å; V278-I312 WeakPolarHBondContact O-CG1 3.2Å; L308-I312 HydrophobicContact CD1-CD1 4.1Å; L308-I312 HydrophobicContact CD1-CG1 4.22Å; L308-I312 HydrophobicContact CG-CD1 3.94Å; L308-I312 HydrophobicContact CG-CG1 4.49Å; L308-I312 WeakPolarHBondContact O-CG1 3.44Å; L308-I312 PolarHBondContact O-N 3.03Å; S309-I312 PolarHBondContact O-N 2.71Å; I312-R316 HydrophobicContact CG2-CB 4.28Å; I312-R316 HydrophobicContact CG2-CG 4Å; I312-R354 PolarHBondContact O-NH2 2.91Å; I312-M465 HydrophobicContact CD1-CB 3.34Å; I312-M465 HydrophobicContact CD1-CG 3.74Å
313	P	96.7	Very high	95.7	Very high	30 Å²	30	23.8 Å²	23.8	20%	0.195	13%	0.126	C	C	.	.			trans	-52.4	142.2	178.3	-26.9	34.3	0	0	0	113.5	A277 V278 D315 R316 R354	A277-P313 HydrophobicContact CB-CG 3.8Å; V278-P313 VanDerWaalsContact O-CD 3.29Å; V278-P313 WeakPolarHBondContact O-CD 3.26Å; P313-D315 WeakPolarHBondContact CB-OD1 3.38Å; P313-D315 PolarHBondContact O-N 3.49Å; P313-R316 HydrophobicContact CB-CB 4.2Å; P313-R316 PolarHBondContact O-N 2.83Å; P313-R354 PolarHBondContact O-NE 2.9Å
314	V	95.8	Very high	95.5	Very high	12 Å²	12	30.1 Å²	30.1	7%	0.073	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-20.1	177.3	-66.3	0	0	0	0	112.1	Y103 L353 R354 H357	Y103-V314 WeakPolarHBondContact OH-CG2 3.35Å; V314-L353 HydrophobicContact CB-CB 4.36Å; V314-L353 HydrophobicContact CG1-CB 3.91Å; V314-L353 HydrophobicContact CG1-CD2 4.4Å; V314-R354 WeakPolarHBondContact O-CA 3.31Å; V314-R354 WeakPolarHBondContact O-CG 3.28Å; V314-H357 VanDerWaalsContact O-CB 3.25Å; V314-H357 WeakPolarHBondContact O-CB 3.39Å
315	D	95	Very high	95.3	Very high	41 Å²	41	34 Å²	34	22%	0.219	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	14.4	178.8	73	-39.8	0	0	0	112.7	T269 R273 P313	T269-D315 HydrophobicContact CG2-CB 4.16Å; T269-D315 WeakPolarHBondContact CG2-OD2 3.3Å; R273-D315 PolarHBondContact NE-O 2.94Å; R273-D315 PolarHBondContact NH2-O 3.24Å; P313-D315 WeakPolarHBondContact CB-OD1 3.38Å; P313-D315 PolarHBondContact O-N 3.49Å
316	R	96.6	Very high	95.2	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.008	18%	0.178	C	C	.	.			trans	-51.6	151.8	-168	71.5	148.9	172.5	-169	-2	114.7	G279 I312 P313 R362 E432 M465	G279-R316 WeakPolarHBondContact O-CD 3.03Å; G279-R316 PolarHBondContact O-NH1 3.32Å; I312-R316 HydrophobicContact CG2-CB 4.28Å; I312-R316 HydrophobicContact CG2-CG 4Å; P313-R316 HydrophobicContact CB-CB 4.2Å; P313-R316 PolarHBondContact O-N 2.83Å; R316-R362 PolarHBondContact O-NH2 3.2Å; R316-E432 WeakPolarHBondContact CG-OE2 3.4Å; R316-E432 IonicContact CZ-OE1 3.7Å; R316-E432 VanDerWaalsContact CZ-OE1 3.28Å; R316-E432 IonicContact CZ-OE2 2.81Å; R316-E432 VanDerWaalsContact NE-CD 3.35Å; R316-E432 IonicContact NE-OE1 3.39Å; R316-E432 PolarHBondContact NE-OE1 3.25Å; R316-E432 IonicContact NE-OE2 3.21Å; R316-E432 PolarHBondContact NE-OE2 3.18Å; R316-E432 IonicContact NH2-OE1 2.8Å; R316-E432 PolarHBondContact NH2-OE1 3.39Å; R316-E432 IonicContact NH2-OE2 2.7Å; R316-M465 PolarHBondContact NH1-O 2.95Å; R316-M465 PolarHBondContact NH2-O 2.95Å
317	G	95.9	Very high	94.7	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.01	19%	0.19	C	C	.	.			trans	-68.7	147.1	168.8	0	0	0	0	0	111.5	F281 G282	F281-G317 CarbonylContact C-O 3.51Å; F281-G317 WeakPolarHBondContact CA-O 3.02Å; F281-G317 PolarHBondContact N-O 3.46Å; G282-G317 PolarHBondContact N-O 3.07Å
318	V	96.4	Very high	94.3	Very high	15 Å²	15	38.6 Å²	38.6	9%	0.091	21%	0.208	C	C	.	.			trans	-119.8	154.6	166.3	-59.6	0	0	0	0	108.7	E432 Y467	V318-E432 HydrophobicContact CG1-CB 4.1Å; V318-E432 WeakPolarHBondContact CG1-OE2 3.31Å; V318-Y467 HydrophobicContact CB-CD2 3.95Å; V318-Y467 HydrophobicContact CB-CE2 4.11Å; V318-Y467 HydrophobicContact CB-CG 4.4Å; V318-Y467 HydrophobicContact CG1-CD2 3.72Å; V318-Y467 HydrophobicContact CG1-CE2 4Å; V318-Y467 HydrophobicContact CG2-CE2 4.5Å
319	P	95	Very high	94	Very high	33 Å²	33	41.1 Å²	41.1	21%	0.214	22%	0.221	C	C	.	.			trans	-69.1	143.4	172	29.6	-34	0	0	0	110.2	T321 N434 Y467	P319-T321 HydrophobicContact CG-CG2 4.1Å; P319-T321 PolarHBondContact O-N 2.87Å; P319-N434 PolarHBondContact O-ND2 3.35Å; P319-N434 PolarHBondContact O-OD1 3.37Å; P319-Y467 HydrophobicContact CG-CD1 4.07Å; P319-Y467 HydrophobicContact CG-CG 4.43Å
320	D	94.8	Very high	93.8	Very high	79 Å²	79	45.8 Å²	45.8	42%	0.422	25%	0.246	S	C	.	.			trans	-69.9	115	166.3	-167.5	-10.1	0	0	0	108.4	R322 V435	D320-R322 VanDerWaalsContact OD1-CB 3.32Å; D320-R322 WeakPolarHBondContact OD1-CB 3.26Å; D320-R322 VanDerWaalsContact OD1-CG 3.26Å; D320-R322 WeakPolarHBondContact OD1-CG 3.26Å; D320-R322 IonicContact OD1-CZ 3.19Å; D320-R322 PolarHBondContact OD1-N 2.99Å; D320-R322 VanDerWaalsContact OD1-N 3.07Å; D320-R322 IonicContact OD1-NE 2.7Å; D320-R322 PolarHBondContact OD1-NE 3.37Å; D320-R322 IonicContact OD1-NH2 3.51Å; D320-R322 IonicContact OD2-CZ 3.92Å; D320-R322 IonicContact OD2-NE 2.78Å; D320-R322 PolarHBondContact OD2-NE 2.9Å; D320-R322 IonicContact OD2-NH2 2.6Å; D320-R322 PolarHBondContact OD2-NH2 2.88Å; D320-V435 HydrophobicContact CB-CG2 3.94Å; D320-V435 VanDerWaalsContact CG-CG2 3.47Å; D320-V435 VanDerWaalsContact OD2-CG2 3.32Å; D320-V435 WeakPolarHBondContact OD2-CG2 3.42Å
321	T	94.2	Very high	93.7	Very high	21 Å²	21	42.7 Å²	42.7	13%	0.129	23%	0.229	C	C	.	.			trans	-106	5	-177.7	58.4	0	0	0	0	112.6	P319 N434 E458 Y467 L469 R560	P319-T321 HydrophobicContact CG-CG2 4.1Å; P319-T321 PolarHBondContact O-N 2.87Å; T321-N434 PolarHBondContact N-ND2 3.4Å; T321-N434 PolarHBondContact OG1-ND2 3.13Å; T321-E458 WeakPolarHBondContact CB-OE1 3.34Å; T321-E458 PolarHBondContact OG1-OE1 3.12Å; T321-Y467 HydrophobicContact CG2-CD1 4.01Å; T321-Y467 HydrophobicContact CG2-CE1 3.73Å; T321-L469 HydrophobicContact CG2-CD1 4.33Å; T321-R560 WeakPolarHBondContact O-CD 3.07Å; T321-R560 PolarHBondContact O-NE 2.92Å; T321-R560 PolarHBondContact O-NH1 3.37Å; T321-R560 WeakPolarHBondContact OG1-CD 3.46Å
322	R	94.1	Very high	93.8	Very high	19 Å²	19	40.2 Å²	40.2	7%	0.072	22%	0.218	C	C	.	.	S	Bend	trans	-71.1	148.6	178.4	-59	174.5	-61.9	168.9	4.2	110.5	S265 D320 E324 C326 V435 C558 R560	S265-R322 PolarHBondContact OG-NH2 2.87Å; D320-R322 VanDerWaalsContact OD1-CB 3.32Å; D320-R322 WeakPolarHBondContact OD1-CB 3.26Å; D320-R322 VanDerWaalsContact OD1-CG 3.26Å; D320-R322 WeakPolarHBondContact OD1-CG 3.26Å; D320-R322 IonicContact OD1-CZ 3.19Å; D320-R322 PolarHBondContact OD1-N 2.99Å; D320-R322 VanDerWaalsContact OD1-N 3.07Å; D320-R322 IonicContact OD1-NE 2.7Å; D320-R322 PolarHBondContact OD1-NE 3.37Å; D320-R322 IonicContact OD1-NH2 3.51Å; D320-R322 IonicContact OD2-CZ 3.92Å; D320-R322 IonicContact OD2-NE 2.78Å; D320-R322 PolarHBondContact OD2-NE 2.9Å; D320-R322 IonicContact OD2-NH2 2.6Å; D320-R322 PolarHBondContact OD2-NH2 2.88Å; R322-E324 PolarHBondContact O-N 3.42Å; R322-C326 HydrophobicContact CB-CB 3.97Å; R322-V435 WeakPolarHBondContact CD-O 3.47Å; R322-V435 VanDerWaalsContact CZ-O 3.24Å; R322-V435 PolarHBondContact NE-O 2.9Å; R322-V435 PolarHBondContact NH1-O 2.87Å; R322-V435 VanDerWaalsContact NH1-O 3.16Å; R322-C558 VanDerWaalsContact CD-O 3.26Å; R322-C558 WeakPolarHBondContact CD-O 3.45Å; R322-R560 HydrophobicContact CG-CG 4.17Å
323	P	92.9	Very high	93.6	Very high	23 Å²	23	43.9 Å²	43.9	15%	0.149	24%	0.237	C	C	.	.			trans	-50.6	138.1	163.4	-26.3	33.1	0	0	0	111.6	T325 C326 V501 T502	P323-T325 PolarHBondContact O-N 3.45Å; P323-C326 VanDerWaalsContact O-CB 3.26Å; P323-C326 WeakPolarHBondContact O-CB 3.37Å; P323-C326 PolarHBondContact O-N 3.28Å; P323-V501 HydrophobicContact CB-CG1 4.39Å; P323-V501 HydrophobicContact CG-CB 4.47Å; P323-V501 HydrophobicContact CG-CG1 3.8Å; P323-T502 HydrophobicContact CB-CG2 4.29Å
324	E	90.1	Very high	93.6	Very high	152 Å²	152	44.8 Å²	44.8	71%	0.71	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-53.6	-31.8	-173.3	-64.4	-175.4	165.1	0	0	113.3	R76 R322 C326	R76-E324 IonicContact CZ-OE1 2.74Å; R76-E324 IonicContact NH1-OE1 3.22Å; R76-E324 PolarHBondContact NH1-OE1 3.3Å; R322-E324 PolarHBondContact O-N 3.42Å; E324-C326 PolarHBondContact O-N 2.7Å
325	T	90.8	Very high	93.7	Very high	83 Å²	83	44.8 Å²	44.8	51%	0.509	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-69.1	-24.7	177.4	42.7	0	0	0	0	114.3	P323 A327 Q328 N329 T502	P323-T325 PolarHBondContact O-N 3.45Å; T325-A327 PolarHBondContact O-N 2.93Å; T325-Q328 WeakPolarHBondContact O-CA 3.32Å; T325-Q328 WeakPolarHBondContact O-CB 3.32Å; T325-Q328 PolarHBondContact O-N 2.82Å; T325-N329 PolarHBondContact O-OD1 3.5Å; T325-T502 WeakPolarHBondContact OG1-CG2 3.41Å
326	C	93.2	Very high	93.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-60.3	-29.6	-179.5	-70.4	0	0	0	0	113.3	R322 P323 E324 Q328 N329 C558	R322-C326 HydrophobicContact CB-CB 3.97Å; P323-C326 VanDerWaalsContact O-CB 3.26Å; P323-C326 WeakPolarHBondContact O-CB 3.37Å; P323-C326 PolarHBondContact O-N 3.28Å; E324-C326 PolarHBondContact O-N 2.7Å; C326-Q328 PolarHBondContact O-N 2.74Å; C326-N329 WeakPolarHBondContact O-CB 3.1Å; C326-N329 PolarHBondContact O-N 2.86Å; C326-C558 VanDerWaalsContact CA-SG 3.59Å; C326-C558 HydrophobicContact CB-CB 3.58Å; C326-C558 WeakPolarHBondContact CB-SG 3.38Å; C326-C558 WeakPolarHBondContact SG-CA 3Å; C326-C558 WeakPolarHBondContact SG-CB 3.41Å; C326-C558 CovalentContact SG-SG 2.03Å; C326-C558 PolarHBondContact SG-SG 3.37Å
327	A	85.4	Confident	93.9	Very high	31 Å²	31	45 Å²	45	26%	0.256	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-71.5	-6.4	174.9	0	0	0	0	0	113.5	T325	T325-A327 PolarHBondContact O-N 2.93Å
328	Q	87.3	Confident	94.1	Very high	111 Å²	111	44.9 Å²	44.9	52%	0.519	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-107.9	-2.1	173.1	-50.9	-51.8	-49.4	0	0	112.9	T325 C326 L330	T325-Q328 WeakPolarHBondContact O-CA 3.32Å; T325-Q328 WeakPolarHBondContact O-CB 3.32Å; T325-Q328 PolarHBondContact O-N 2.82Å; C326-Q328 PolarHBondContact O-N 2.74Å; Q328-L330 PolarHBondContact O-N 2.91Å
329	N	90.8	Very high	94.2	Very high	53 Å²	53	44.2 Å²	44.2	28%	0.283	24%	0.238	S	C	.	.			trans	-60.1	136.2	174.6	-76	18.7	0	0	0	110	K262 V263 T325 C326 C558	K262-N329 WeakPolarHBondContact CA-O 3.35Å; V263-N329 HydrophobicContact CG2-CB 4.04Å; V263-N329 PolarHBondContact N-O 3.4Å; V263-N329 VanDerWaalsContact N-O 3.12Å; T325-N329 PolarHBondContact O-OD1 3.5Å; C326-N329 WeakPolarHBondContact O-CB 3.1Å; C326-N329 PolarHBondContact O-N 2.86Å; N329-C558 PolarHBondContact ND2-SG 3.11Å
330	L	94.4	Very high	94.4	Very high	99 Å²	99	42.6 Å²	42.6	52%	0.518	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	143.4	171.1	-63.8	174.1	0	0	0	109.8	V260 H261 K262 Q328	V260-L330 HydrophobicContact CB-CB 4.35Å; V260-L330 HydrophobicContact CG2-CB 4.4Å; V260-L330 HydrophobicContact CG2-CD1 4.11Å; H261-L330 CarbonylContact O-C 3.6Å; H261-L330 VanDerWaalsContact O-CA 3.3Å; H261-L330 WeakPolarHBondContact O-CA 3.37Å; K262-L330 HydrophobicContact CG-CD2 3.73Å; Q328-L330 PolarHBondContact O-N 2.91Å
331	V	95.6	Very high	94.6	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.024	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	158.5	176.1	-69.4	0	0	0	0	109.3	V260 H261 V263 L335 E439 E443	V260-V331 CarbonylContact C-O 3.54Å; V260-V331 WeakPolarHBondContact CA-O 3.41Å; V260-V331 WeakPolarHBondContact CB-O 3.48Å; H261-V331 PolarHBondContact N-O 2.67Å; H261-V331 PolarHBondContact O-N 2.97Å; V263-V331 HydrophobicContact CG2-CG1 3.7Å; V263-V331 HydrophobicContact CG2-CG2 4.17Å; V331-L335 HydrophobicContact CB-CD1 4.26Å; V331-L335 HydrophobicContact CG2-CD1 4.4Å; V331-E439 HydrophobicContact CB-CB 4.45Å; V331-E439 HydrophobicContact CG1-CB 4.2Å; V331-E439 HydrophobicContact CG2-CB 4.02Å; V331-E439 HydrophobicContact CG2-CG 4.49Å; V331-E443 WeakPolarHBondContact CA-OE2 3.45Å; V331-E443 HydrophobicContact CG1-CB 3.97Å; V331-E443 HydrophobicContact CG1-CG 4.07Å
332	H	97.1	Very high	94.8	Very high	30 Å²	30	37.9 Å²	37.9	14%	0.139	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	149.9	-178.9	-68.8	72.1	0	0	0	112.7	P258 H261 L335 E443 Y446	P258-H332 VanDerWaalsContact CB-CD2 3.48Å; P258-H332 WeakPolarHBondContact CB-CD2 3.34Å; P258-H332 VanDerWaalsContact CG-CD2 3.5Å; P258-H332 WeakPolarHBondContact CG-CD2 3.26Å; H261-H332 PolarHBondContact CE1-O 2.77Å; H332-L335 HydrophobicContact CB-CD2 4.21Å; H332-L335 HydrophobicContact CB-CG 4.47Å; H332-L335 WeakPolarHBondContact O-CG 3.31Å; H332-E443 IonicContact CE1-OE1 3.8Å; H332-E443 PolarHBondContact CE1-OE1 2.82Å; H332-E443 IonicContact CE1-OE2 2.69Å; H332-E443 IonicContact CG-OE2 3.95Å; H332-E443 PolarHBondContact N-OE2 3.25Å; H332-E443 VanDerWaalsContact ND1-CD 3.25Å; H332-E443 IonicContact ND1-OE1 2.76Å; H332-E443 PolarHBondContact ND1-OE1 3.09Å; H332-E443 IonicContact ND1-OE2 3.3Å; H332-E443 PolarHBondContact ND1-OE2 3.49Å; H332-Y446 HydrophobicContact CB-CD1 4.2Å; H332-Y446 HydrophobicContact CB-CE1 4.06Å; H332-Y446 AromaticContact CD2-CD1 3.94Å; H332-Y446 AromaticContact CD2-CE1 3.16Å; H332-Y446 WeakPolarHBondContact CD2-CE1 3.28Å; H332-Y446 AromaticContact CD2-CZ 3.59Å; H332-Y446 AromaticContact CE1-CE1 3.8Å; H332-Y446 AromaticContact CG-CD1 3.71Å; H332-Y446 AromaticContact CG-CE1 3.4Å; H332-Y446 AromaticContact CG-CZ 3.93Å; H332-Y446 AromaticContact ND1-CD1 3.77Å; H332-Y446 AromaticContact ND1-CE1 3.77Å; H332-Y446 AromaticContact NE2-CE1 3.46Å; H332-Y446 WeakPolarHBondContact NE2-CE1 3.4Å
333	D	94.4	Very high	95	Very high	83 Å²	83	37.5 Å²	37.5	44%	0.444	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-26	175.8	-69.5	-12	0	0	0	112.9	G259 H261	G259-D333 WeakPolarHBondContact CA-OD2 3.43Å; G259-D333 VanDerWaalsContact O-CG 3.32Å; G259-D333 PolarHBondContact O-N 2.91Å; H261-D333 IonicContact CE1-OD1 2.84Å; H261-D333 IonicContact CG-OD1 3.67Å; H261-D333 PolarHBondContact N-OD1 2.8Å; H261-D333 IonicContact ND1-OD1 3.56Å; H261-D333 PolarHBondContact ND1-OD1 3.43Å
334	D	95.3	Very high	95.2	Very high	49 Å²	49	36.7 Å²	36.7	26%	0.262	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	38.1	-177.7	68.7	-49.3	0	0	0	114.1	R256 Y446	R256-D334 WeakPolarHBondContact CD-OD2 3.38Å; R256-D334 IonicContact CZ-OD2 3.62Å; R256-D334 IonicContact NE-OD2 3.95Å; R256-D334 IonicContact NH1-OD2 3.54Å; R256-D334 PolarHBondContact NH1-OD2 2.92Å; D334-Y446 PolarHBondContact OD1-OH 3.43Å
335	L	97.9	Very high	95.4	Very high	11 Å²	11	30.1 Å²	30.1	6%	0.058	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-54.2	142.5	173.9	-71.9	177	0	0	0	112.7	V331 H332 L367 E439 L442 E443 Y446	V331-L335 HydrophobicContact CB-CD1 4.26Å; V331-L335 HydrophobicContact CG2-CD1 4.4Å; H332-L335 HydrophobicContact CB-CD2 4.21Å; H332-L335 HydrophobicContact CB-CG 4.47Å; H332-L335 WeakPolarHBondContact O-CG 3.31Å; L335-L367 HydrophobicContact CB-CD1 4.36Å; L335-L367 HydrophobicContact CB-CD2 3.65Å; L335-L367 HydrophobicContact CD1-CD1 3.99Å; L335-L367 WeakPolarHBondContact O-CD2 3.43Å; L335-E439 HydrophobicContact CD1-CB 3.8Å; L335-E439 HydrophobicContact CD1-CG 4.02Å; L335-L442 HydrophobicContact CB-CB 4.41Å; L335-L442 HydrophobicContact CD1-CB 4.31Å; L335-L442 HydrophobicContact CD2-CB 4.32Å; L335-E443 HydrophobicContact CD2-CB 4.18Å; L335-Y446 HydrophobicContact CD2-CG 4.26Å
336	P	98.3	Very high	95.6	Very high	20 Å²	20	27.8 Å²	27.8	13%	0.13	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-69.9	146.8	-176.3	31	-37.4	0	0	0	111.9	E422 V423	P336-E422 HydrophobicContact CB-CB 4.1Å; P336-V423 HydrophobicContact CB-CG2 3.96Å; P336-V423 HydrophobicContact CG-CG2 3.67Å
337	T	98.8	Very high	95.8	Very high	27 Å²	27	27.9 Å²	27.9	17%	0.166	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-75.7	140.1	-179.3	63.2	0	0	0	0	111.7	L367 G421 E422 V423	T337-L367 CarbonylContact C-O 3.18Å; T337-L367 WeakPolarHBondContact CA-O 3.43Å; T337-G421 CarbonylContact O-C 3.07Å; T337-E422 WeakPolarHBondContact CB-OE1 3.49Å; T337-E422 PolarHBondContact N-OE1 3.15Å; T337-E422 PolarHBondContact O-N 3.4Å; T337-E422 PolarHBondContact OG1-OE1 3.46Å; T337-V423 PolarHBondContact O-N 2.94Å
338	T	98.9	Very high	96.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	143.1	-179.5	-172.5	0	0	0	0	113.5	V340 L367 K369 V423 T425 L438 L442	T338-V340 HydrophobicContact CG2-CG2 4.34Å; T338-L367 PolarHBondContact N-O 3.22Å; T338-K369 WeakPolarHBondContact O-CA 3.47Å; T338-K369 WeakPolarHBondContact O-CB 3.45Å; T338-K369 PolarHBondContact O-N 2.9Å; T338-V423 WeakPolarHBondContact CA-O 3.4Å; T338-V423 PolarHBondContact OG1-O 3.09Å; T338-T425 WeakPolarHBondContact OG1-CB 3.39Å; T338-T425 PolarHBondContact OG1-OG1 3.2Å; T338-L438 HydrophobicContact CG2-CD1 4.05Å; T338-L438 HydrophobicContact CG2-CD2 3.93Å; T338-L442 HydrophobicContact CG2-CD1 4.37Å; T338-L442 HydrophobicContact CG2-CD2 4.46Å
339	T	98.9	Very high	96.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	118.8	157.1	-69.3	0	0	0	0	109	I341 E370 I372 A419 K420 G421 V423 T425	T339-I341 HydrophobicContact CG2-CG1 3.96Å; T339-E370 WeakPolarHBondContact CA-O 3.39Å; T339-E370 HydrophobicContact CG2-CG 3.68Å; T339-E370 WeakPolarHBondContact OG1-CG 3.4Å; T339-E370 PolarHBondContact OG1-OE1 3.45Å; T339-I372 HydrophobicContact CG2-CB 4.48Å; T339-I372 HydrophobicContact CG2-CD1 3.66Å; T339-I372 HydrophobicContact CG2-CG1 3.82Å; T339-A419 HydrophobicContact CG2-CB 3.63Å; T339-K420 PolarHBondContact OG1-N 2.57Å; T339-G421 PolarHBondContact OG1-N 3.33Å; T339-V423 PolarHBondContact N-O 3.21Å; T339-T425 PolarHBondContact O-N 2.96Å
340	V	98.9	Very high	97.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	130.6	171.5	175.4	0	0	0	0	109	T338 F342 V359 L368 E370 I371 I372 T425 L427 W437	T338-V340 HydrophobicContact CG2-CG2 4.34Å; V340-F342 HydrophobicContact CG1-CD2 4.14Å; V340-F342 HydrophobicContact CG1-CE2 3.77Å; V340-F342 HydrophobicContact CG1-CZ 4.27Å; V340-V359 HydrophobicContact CB-CG1 4.43Å; V340-V359 HydrophobicContact CG1-CG1 4.35Å; V340-V359 HydrophobicContact CG1-CG2 4.4Å; V340-V359 HydrophobicContact CG2-CG1 4.03Å; V340-L368 HydrophobicContact CB-CD1 4.22Å; V340-L368 HydrophobicContact CG2-CD1 3.59Å; V340-E370 PolarHBondContact N-O 3.45Å; V340-I371 HydrophobicContact CB-CG1 4.35Å; V340-I371 CarbonylContact O-C 3.54Å; V340-I371 WeakPolarHBondContact O-CA 3.23Å; V340-I372 PolarHBondContact O-N 3.49Å; V340-T425 CarbonylContact C-O 3.55Å; V340-T425 VanDerWaalsContact CA-O 3.27Å; V340-T425 WeakPolarHBondContact CA-O 3.46Å; V340-T425 HydrophobicContact CG2-CG2 4.32Å; V340-L427 HydrophobicContact CG1-CD1 3.74Å; V340-L427 HydrophobicContact CG1-CG 4.26Å; V340-W437 HydrophobicContact CG2-CH2 4.44Å
341	I	98.9	Very high	97.3	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.005	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	114.1	-178.5	-57.8	171.2	0	0	0	109.1	T339 I372 V374 A416 L424 T425 F426 L427	T339-I341 HydrophobicContact CG2-CG1 3.96Å; I341-I372 HydrophobicContact CG1-CB 4.46Å; I341-V374 HydrophobicContact CG2-CG2 4.24Å; I341-A416 HydrophobicContact CD1-CB 4.32Å; I341-L424 HydrophobicContact CD1-CD2 4.13Å; I341-T425 PolarHBondContact N-O 3.15Å; I341-F426 HydrophobicContact CB-CD1 3.89Å; I341-F426 HydrophobicContact CB-CE1 4.14Å; I341-F426 HydrophobicContact CD1-CD1 4.23Å; I341-F426 HydrophobicContact CD1-CE1 3.65Å; I341-F426 HydrophobicContact CD1-CZ 4.1Å; I341-F426 HydrophobicContact CG1-CE1 4.47Å; I341-F426 HydrophobicContact CG2-CD1 4.08Å; I341-F426 HydrophobicContact CG2-CE1 4.17Å; I341-L427 PolarHBondContact O-N 2.9Å
342	F	98.6	Very high	97.5	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	136.5	165.2	-67.1	-79.5	0	0	0	109.6	V340 V356 V359 I371 I372 L373 V374 L427 D428 I431	V340-F342 HydrophobicContact CG1-CD2 4.14Å; V340-F342 HydrophobicContact CG1-CE2 3.77Å; V340-F342 HydrophobicContact CG1-CZ 4.27Å; F342-V356 HydrophobicContact CD2-CG2 4.32Å; F342-V356 HydrophobicContact CE2-CG2 4.16Å; F342-V359 HydrophobicContact CE2-CG2 4.13Å; F342-V359 HydrophobicContact CZ-CG2 3.73Å; F342-I371 HydrophobicContact CD2-CG2 3.64Å; F342-I371 HydrophobicContact CE2-CG2 3.77Å; F342-I372 PolarHBondContact N-O 2.77Å; F342-L373 HydrophobicContact CB-CD2 3.87Å; F342-L373 HydrophobicContact CD2-CD2 3.58Å; F342-L373 HydrophobicContact CG-CD2 4.09Å; F342-V374 PolarHBondContact O-N 3.16Å; F342-L427 HydrophobicContact CD1-CB 3.79Å; F342-L427 HydrophobicContact CE1-CB 3.48Å; F342-L427 VanDerWaalsContact CE1-CB 3.48Å; F342-L427 HydrophobicContact CE1-CD1 3.94Å; F342-L427 HydrophobicContact CE1-CG 4.38Å; F342-L427 HydrophobicContact CZ-CB 4.13Å; F342-L427 HydrophobicContact CZ-CD1 3.77Å; F342-D428 WeakPolarHBondContact CD1-O 3.49Å; F342-D428 WeakPolarHBondContact CE1-O 3.48Å; F342-I431 HydrophobicContact CE1-CD1 4.07Å; F342-I431 HydrophobicContact CE1-CG1 3.85Å; F342-I431 HydrophobicContact CZ-CD1 4.21Å; F342-I431 HydrophobicContact CZ-CG1 4.49Å
343	C	97.4	Very high	97.5	Very high	11 Å²	11	15.2 Å²	15.2	7%	0.074	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	134.6	168.2	-61.8	0	0	0	0	108.8	V374 L408 A411 R412 S429	C343-V374 WeakPolarHBondContact CA-O 3.41Å; C343-L408 HydrophobicContact CB-CD1 3.65Å; C343-A411 HydrophobicContact CB-CB 4Å; C343-A411 VanDerWaalsContact SG-C 3.59Å; C343-R412 VanDerWaalsContact SG-CG 3.57Å; C343-S429 PolarHBondContact O-OG 3.32Å
344	F	97.2	Very high	97.7	Very high	6 Å²	6	11.5 Å²	11.5	3%	0.026	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	149.7	-175.6	73	-80.8	0	0	0	112	E347 L352 L373 V374 D375 D376 L383 L387	F344-E347 HydrophobicContact CB-CB 3.99Å; F344-E347 HydrophobicContact CD2-CB 4.38Å; F344-L352 HydrophobicContact CB-CD1 4.44Å; F344-L352 HydrophobicContact CD1-CD1 4.38Å; F344-L352 HydrophobicContact CD2-CD2 4.01Å; F344-L352 HydrophobicContact CE2-CD2 4.03Å; F344-L352 HydrophobicContact CG-CD1 4.3Å; F344-L352 HydrophobicContact CG-CD2 4.33Å; F344-L352 HydrophobicContact CZ-CD2 4.36Å; F344-L373 HydrophobicContact CD1-CB 4.35Å; F344-L373 HydrophobicContact CE1-CB 3.78Å; F344-V374 VanDerWaalsContact CD1-O 3.28Å; F344-V374 WeakPolarHBondContact CD1-O 3.45Å; F344-V374 PolarHBondContact N-O 2.94Å; F344-D375 HydrophobicContact CE1-CB 3.87Å; F344-D375 HydrophobicContact CE2-CB 4.06Å; F344-D375 HydrophobicContact CZ-CB 3.54Å; F344-D376 PolarHBondContact O-N 3.36Å; F344-L383 HydrophobicContact CD2-CD1 4.21Å; F344-L383 HydrophobicContact CD2-CD2 4.36Å; F344-L383 HydrophobicContact CE2-CB 4.25Å; F344-L383 HydrophobicContact CE2-CD1 4.14Å; F344-L383 HydrophobicContact CE2-CD2 4.01Å; F344-L383 HydrophobicContact CE2-CG 4.36Å; F344-L387 HydrophobicContact CE2-CD2 4.06Å; F344-L387 HydrophobicContact CZ-CD2 3.66Å
345	V	95.5	Very high	97.9	Very high	14 Å²	14	9.1 Å²	9.1	9%	0.085	5%	0.048	C	C	.	.	S	Bend	trans	-144.6	125.8	167.9	53.9	0	0	0	0	108.1	E347 D376 S378 Y571	V345-E347 PolarHBondContact O-N 3.42Å; V345-D376 HydrophobicContact CB-CB 4.12Å; V345-D376 VanDerWaalsContact CG2-O 3.31Å; V345-D376 WeakPolarHBondContact CG2-O 3.44Å; V345-S378 WeakPolarHBondContact CA-OG 3.5Å; V345-Y571 HydrophobicContact CG1-CD1 3.94Å; V345-Y571 HydrophobicContact CG1-CD2 4.28Å; V345-Y571 HydrophobicContact CG1-CE1 4.34Å; V345-Y571 HydrophobicContact CG1-CG 3.92Å; V345-Y571 VanDerWaalsContact O-CD1 3.29Å; V345-Y571 WeakPolarHBondContact O-CD1 3.44Å; V345-Y571 WeakPolarHBondContact O-CE1 3.25Å
346	D	95.4	Very high	97.9	Very high	34 Å²	34	8.6 Å²	8.6	18%	0.182	5%	0.046	C	C	.	.	S	Bend	trans	52.2	25.4	179.9	-76.9	-12.2	0	0	0	115.1	S378 T379 K380	D346-S378 PolarHBondContact N-OG 3.08Å; D346-T379 VanDerWaalsContact CG-OG1 3.26Å; D346-T379 WeakPolarHBondContact OD1-CA 3.41Å; D346-T379 PolarHBondContact OD1-N 3.01Å; D346-T379 PolarHBondContact OD1-OG1 3.48Å; D346-T379 PolarHBondContact OD2-OG1 3.01Å; D346-K380 HydrophobicContact CB-CG 4.28Å; D346-K380 WeakPolarHBondContact OD1-CG 3.37Å; D346-K380 PolarHBondContact OD1-N 2.68Å; D346-K380 VanDerWaalsContact OD1-N 3.15Å
347	E	97.2	Very high	97.9	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.005	4%	0.043	C	C	.	.			trans	-68.5	144.9	-177.2	-174	65.7	-82	0	0	112.5	F344 V345 W349 L352 Y382 S429 H430 R566 Y571	F344-E347 HydrophobicContact CB-CB 3.99Å; F344-E347 HydrophobicContact CD2-CB 4.38Å; V345-E347 PolarHBondContact O-N 3.42Å; E347-W349 PolarHBondContact O-N 2.96Å; E347-L352 HydrophobicContact CG-CB 4.04Å; E347-Y382 PolarHBondContact O-OH 2.98Å; E347-S429 PolarHBondContact OE2-OG 2.76Å; E347-H430 IonicContact OE2-CE1 3.96Å; E347-H430 IonicContact OE2-CG 2.67Å; E347-H430 IonicContact OE2-ND1 3.97Å; E347-H430 PolarHBondContact OE2-ND1 3.29Å; E347-R566 IonicContact OE1-CZ 3.92Å; E347-R566 IonicContact OE1-NH1 3.79Å; E347-R566 IonicContact OE1-NH2 2.68Å; E347-R566 PolarHBondContact OE1-NH2 2.98Å; E347-R566 IonicContact OE2-NH2 3.39Å; E347-R566 PolarHBondContact OE2-NH2 2.72Å; E347-Y571 PolarHBondContact OE2-OH 2.9Å; E347-Y571 VanDerWaalsContact OE2-OH 3.09Å
348	V	96.9	Very high	97.9	Very high	3 Å²	3	7.4 Å²	7.4	2%	0.018	4%	0.037	C	C	.	.			trans	-62.2	128.1	178	165.1	0	0	0	0	110.9	F304 V306 S350 T351 L352	F304-V348 HydrophobicContact CE1-CG2 4.14Å; F304-V348 HydrophobicContact CE2-CG1 4.47Å; F304-V348 HydrophobicContact CZ-CB 3.83Å; F304-V348 HydrophobicContact CZ-CG1 3.96Å; F304-V348 HydrophobicContact CZ-CG2 3.78Å; V306-V348 HydrophobicContact CG1-CG1 3.73Å; V306-V348 HydrophobicContact CG1-CG2 3.97Å; V306-V348 HydrophobicContact CG2-CG2 3.81Å; V348-S350 WeakPolarHBondContact CG1-OG 3.48Å; V348-S350 PolarHBondContact O-N 3.02Å; V348-T351 WeakPolarHBondContact CB-OG1 3.38Å; V348-T351 HydrophobicContact CG1-CG2 4.42Å; V348-T351 PolarHBondContact O-N 3.36Å; V348-T351 PolarHBondContact O-OG1 3.3Å; V348-L352 PolarHBondContact O-N 2.98Å
349	W	97.8	Very high	97.9	Very high	51 Å²	51	7.4 Å²	7.4	19%	0.193	4%	0.037	C	C	.	.	H	α-helix	trans	-49.9	-50.8	-178	176.9	-100.3	0	0	0	113.2	E347 T351 L352 L353 Y382 Q386 L387 Y390	E347-W349 PolarHBondContact O-N 2.96Å; W349-T351 VanDerWaalsContact C-N 3.35Å; W349-T351 PolarHBondContact O-N 3.49Å; W349-L352 PolarHBondContact O-N 3.19Å; W349-L353 HydrophobicContact CD2-CD1 3.79Å; W349-L353 HydrophobicContact CD2-CD2 4.23Å; W349-L353 HydrophobicContact CE3-CD1 3.87Å; W349-L353 HydrophobicContact CG-CD1 4.38Å; W349-L353 HydrophobicContact CH2-CD1 4.18Å; W349-L353 HydrophobicContact CH2-CD2 4.44Å; W349-L353 HydrophobicContact CZ2-CD1 4.09Å; W349-L353 HydrophobicContact CZ2-CD2 3.65Å; W349-L353 HydrophobicContact CZ3-CD1 4.08Å; W349-L353 WeakPolarHBondContact O-CB 3.27Å; W349-L353 WeakPolarHBondContact O-CD1 3.28Å; W349-L353 PolarHBondContact O-N 3.38Å; W349-Y382 HydrophobicContact CB-CD2 3.97Å; W349-Y382 HydrophobicContact CB-CE2 3.83Å; W349-Y382 AromaticContact CE3-CD2 3.95Å; W349-Y382 HydrophobicContact CE3-CD2 3.95Å; W349-Y382 VanDerWaalsContact CZ3-O 3.27Å; W349-Y382 WeakPolarHBondContact CZ3-O 3.25Å; W349-Q386 HydrophobicContact CH2-CG 3.86Å; W349-Q386 HydrophobicContact CZ2-CG 4.48Å; W349-Q386 HydrophobicContact CZ3-CG 4.25Å; W349-L387 HydrophobicContact CE3-CD1 4.24Å; W349-L387 HydrophobicContact CH2-CD1 4.32Å; W349-L387 HydrophobicContact CZ3-CB 3.94Å; W349-L387 HydrophobicContact CZ3-CD1 3.67Å; W349-L387 HydrophobicContact CZ3-CG 4.43Å; W349-Y390 HydrophobicContact CH2-CG 4.11Å; W349-Y390 HydrophobicContact CZ2-CD2 4.16Å; W349-Y390 HydrophobicContact CZ2-CG 4.14Å
350	S	97.9	Very high	97.8	Very high	5 Å²	5	8.6 Å²	8.6	4%	0.035	4%	0.043	C	C	.	.	H	α-helix	trans	-64.6	-34.2	-177	56.2	0	0	0	0	113.5	S309 D310 V348 R354	S309-S350 WeakPolarHBondContact CB-OG 3.28Å; S309-S350 PolarHBondContact OG-OG 3.01Å; D310-S350 WeakPolarHBondContact OD1-CB 3.29Å; D310-S350 PolarHBondContact OD1-OG 3.22Å; V348-S350 WeakPolarHBondContact CG1-OG 3.48Å; V348-S350 PolarHBondContact O-N 3.02Å; S350-R354 WeakPolarHBondContact O-CB 3.27Å; S350-R354 PolarHBondContact O-N 3.33Å
351	T	97.2	Very high	97.7	Very high	2 Å²	2	8.8 Å²	8.8	1%	0.012	4%	0.044	C	C	.	.	H	α-helix	trans	-80.7	-37	178.4	52.1	0	0	0	0	112.8	F304 S309 V348 W349 R354 S355 S429 I564	F304-T351 HydrophobicContact CE2-CG2 3.65Å; F304-T351 HydrophobicContact CZ-CG2 3.52Å; S309-T351 WeakPolarHBondContact OG-CG2 3.33Å; V348-T351 WeakPolarHBondContact CB-OG1 3.38Å; V348-T351 HydrophobicContact CG1-CG2 4.42Å; V348-T351 PolarHBondContact O-N 3.36Å; V348-T351 PolarHBondContact O-OG1 3.3Å; W349-T351 VanDerWaalsContact C-N 3.35Å; W349-T351 PolarHBondContact O-N 3.49Å; T351-R354 PolarHBondContact O-N 3.1Å; T351-S355 WeakPolarHBondContact O-CB 3.39Å; T351-S355 PolarHBondContact O-N 3.3Å; T351-S355 PolarHBondContact O-OG 3.39Å; T351-S429 CarbonylContact C-O 3.58Å; T351-I564 HydrophobicContact CG2-CD1 3.49Å; T351-I564 VanDerWaalsContact CG2-CD1 3.49Å
352	L	98.5	Very high	97.7	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-62	-49.3	174	177.6	62.1	0	0	0	110.7	F344 E347 V348 W349 S355 V356 L383 L387 S429	F344-L352 HydrophobicContact CB-CD1 4.44Å; F344-L352 HydrophobicContact CD1-CD1 4.38Å; F344-L352 HydrophobicContact CD2-CD2 4.01Å; F344-L352 HydrophobicContact CE2-CD2 4.03Å; F344-L352 HydrophobicContact CG-CD1 4.3Å; F344-L352 HydrophobicContact CG-CD2 4.33Å; F344-L352 HydrophobicContact CZ-CD2 4.36Å; E347-L352 HydrophobicContact CG-CB 4.04Å; V348-L352 PolarHBondContact O-N 2.98Å; W349-L352 PolarHBondContact O-N 3.19Å; L352-S355 PolarHBondContact O-N 3.35Å; L352-V356 WeakPolarHBondContact O-CG2 3.13Å; L352-V356 PolarHBondContact O-N 3.07Å; L352-L383 HydrophobicContact CD2-CD2 3.64Å; L352-L387 HydrophobicContact CD2-CD1 4.02Å; L352-L387 HydrophobicContact CD2-CD2 3.87Å; L352-S429 WeakPolarHBondContact CA-O 3.45Å; L352-S429 PolarHBondContact N-O 3.11Å
353	L	98.4	Very high	97.6	Very high	2 Å²	2	9 Å²	9	1%	0.01	5%	0.045	C	C	.	.	H	α-helix	trans	-62.1	-45.5	176.5	-91.6	62.1	0	0	0	111.5	V314 W349 S355 V356 H357 L387 Y390 M391	V314-L353 HydrophobicContact CB-CB 4.36Å; V314-L353 HydrophobicContact CG1-CB 3.91Å; V314-L353 HydrophobicContact CG1-CD2 4.4Å; W349-L353 HydrophobicContact CD2-CD1 3.79Å; W349-L353 HydrophobicContact CD2-CD2 4.23Å; W349-L353 HydrophobicContact CE3-CD1 3.87Å; W349-L353 HydrophobicContact CG-CD1 4.38Å; W349-L353 HydrophobicContact CH2-CD1 4.18Å; W349-L353 HydrophobicContact CH2-CD2 4.44Å; W349-L353 HydrophobicContact CZ2-CD1 4.09Å; W349-L353 HydrophobicContact CZ2-CD2 3.65Å; W349-L353 HydrophobicContact CZ3-CD1 4.08Å; W349-L353 WeakPolarHBondContact O-CB 3.27Å; W349-L353 WeakPolarHBondContact O-CD1 3.28Å; W349-L353 PolarHBondContact O-N 3.38Å; L353-S355 VanDerWaalsContact C-N 3.28Å; L353-S355 PolarHBondContact O-N 3.28Å; L353-V356 PolarHBondContact O-N 3.42Å; L353-H357 PolarHBondContact O-CD2 2.85Å; L353-H357 VanDerWaalsContact O-CD2 3.32Å; L353-H357 PolarHBondContact O-N 2.93Å; L353-L387 HydrophobicContact CD1-CD1 3.86Å; L353-Y390 HydrophobicContact CD1-CD1 4.37Å; L353-Y390 HydrophobicContact CD1-CE1 4.46Å; L353-Y390 HydrophobicContact CD2-CD1 3.86Å; L353-Y390 HydrophobicContact CD2-CD2 4.32Å; L353-Y390 HydrophobicContact CD2-CE1 3.41Å; L353-Y390 VanDerWaalsContact CD2-CE1 3.41Å; L353-Y390 HydrophobicContact CD2-CE2 3.91Å; L353-Y390 HydrophobicContact CD2-CG 4.29Å; L353-Y390 VanDerWaalsContact CD2-CZ 3.44Å; L353-Y390 HydrophobicContact CG-CD1 3.96Å; L353-Y390 HydrophobicContact CG-CE1 3.57Å; L353-M391 HydrophobicContact CD1-CE 3.8Å; L353-M391 HydrophobicContact CG-CE 4.02Å
354	R	98.3	Very high	97.6	Very high	4 Å²	4	8.4 Å²	8.4	2%	0.015	4%	0.041	C	C	.	.	H	α-helix	trans	-60.7	-37.3	179.3	-169.1	177	-57.9	113.5	9.6	112.5	S309 I312 P313 V314 S350 T351 S358 E432	S309-R354 PolarHBondContact O-NH2 3.45Å; S309-R354 PolarHBondContact OG-NH1 2.88Å; I312-R354 PolarHBondContact O-NH2 2.91Å; P313-R354 PolarHBondContact O-NE 2.9Å; V314-R354 WeakPolarHBondContact O-CA 3.31Å; V314-R354 WeakPolarHBondContact O-CG 3.28Å; S350-R354 WeakPolarHBondContact O-CB 3.27Å; S350-R354 PolarHBondContact O-N 3.33Å; T351-R354 PolarHBondContact O-N 3.1Å; R354-S358 WeakPolarHBondContact O-CB 3.43Å; R354-S358 PolarHBondContact O-N 2.8Å; R354-E432 WeakPolarHBondContact CD-OE1 3.22Å; R354-E432 HydrophobicContact CG-CG 3.97Å
355	S	98.6	Very high	97.5	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-61.4	-46.9	174.6	-55	0	0	0	0	112.1	T351 L352 L353 S358 V359 S429 H430 I431	T351-S355 WeakPolarHBondContact O-CB 3.39Å; T351-S355 PolarHBondContact O-N 3.3Å; T351-S355 PolarHBondContact O-OG 3.39Å; L352-S355 PolarHBondContact O-N 3.35Å; L353-S355 VanDerWaalsContact C-N 3.28Å; L353-S355 PolarHBondContact O-N 3.28Å; S355-S358 PolarHBondContact O-N 2.89Å; S355-V359 PolarHBondContact O-N 3.12Å; S355-S429 VanDerWaalsContact OG-C 3.23Å; S355-S429 PolarHBondContact OG-O 2.75Å; S355-H430 WeakPolarHBondContact OG-CA 3.44Å; S355-H430 PolarHBondContact OG-N 2.96Å; S355-I431 WeakPolarHBondContact CA-O 3.22Å; S355-I431 PolarHBondContact OG-N 2.78Å; S355-I431 PolarHBondContact OG-O 3.37Å
356	V	98.5	Very high	97.6	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-67.8	-45	179.6	177.6	0	0	0	0	111.7	F342 L352 L353 S358 V359 L360 I371 L373 M391 V397	F342-V356 HydrophobicContact CD2-CG2 4.32Å; F342-V356 HydrophobicContact CE2-CG2 4.16Å; L352-V356 WeakPolarHBondContact O-CG2 3.13Å; L352-V356 PolarHBondContact O-N 3.07Å; L353-V356 PolarHBondContact O-N 3.42Å; V356-S358 VanDerWaalsContact C-N 3.34Å; V356-S358 PolarHBondContact O-N 2.81Å; V356-V359 PolarHBondContact O-N 2.8Å; V356-L360 HydrophobicContact CG1-CD1 3.92Å; V356-L360 HydrophobicContact CG1-CG 4.41Å; V356-L360 WeakPolarHBondContact O-CG 3.5Å; V356-L360 PolarHBondContact O-N 3.38Å; V356-I371 HydrophobicContact CG1-CD1 4.17Å; V356-L373 HydrophobicContact CG2-CD1 4.12Å; V356-L373 HydrophobicContact CG2-CD2 3.62Å; V356-M391 HydrophobicContact CB-CE 4.22Å; V356-M391 HydrophobicContact CG1-CE 4.3Å; V356-M391 HydrophobicContact CG1-SD 4.1Å; V356-M391 HydrophobicContact CG2-CE 4.11Å; V356-V397 HydrophobicContact CG1-CG2 3.89Å
357	H	98.1	Very high	97.7	Very high	17 Å²	17	14.4 Å²	14.4	8%	0.079	7%	0.073	C	C	.	.	H	α-helix	trans	-59.9	-43	174.1	-88.5	-89.6	0	0	0	111.9	V314 L353 V359 L360 N361 Y390 F394	V314-H357 VanDerWaalsContact O-CB 3.25Å; V314-H357 WeakPolarHBondContact O-CB 3.39Å; L353-H357 PolarHBondContact O-CD2 2.85Å; L353-H357 VanDerWaalsContact O-CD2 3.32Å; L353-H357 PolarHBondContact O-N 2.93Å; H357-V359 VanDerWaalsContact C-N 3.33Å; H357-V359 PolarHBondContact O-N 3.43Å; H357-L360 PolarHBondContact O-N 2.9Å; H357-N361 VanDerWaalsContact O-CB 3.28Å; H357-N361 WeakPolarHBondContact O-CB 3.5Å; H357-N361 PolarHBondContact O-N 3.08Å; H357-N361 PolarHBondContact O-ND2 2.84Å; H357-N361 PolarHBondContact O-OD1 3.29Å; H357-Y390 AromaticContact NE2-CE1 3.97Å; H357-Y390 AromaticContact NE2-CZ 3.86Å; H357-Y390 PolarHBondContact NE2-OH 3.33Å; H357-F394 AromaticContact CE1-CZ 3.65Å; H357-F394 AromaticContact NE2-CZ 3.72Å
358	S	98.2	Very high	97.8	Very high	5 Å²	5	14.6 Å²	14.6	4%	0.035	7%	0.074	C	C	.	.	H	α-helix	trans	-58.9	-44.4	179.1	-161.4	0	0	0	0	112	R354 S355 V356 R362 C433	R354-S358 WeakPolarHBondContact O-CB 3.43Å; R354-S358 PolarHBondContact O-N 2.8Å; S355-S358 PolarHBondContact O-N 2.89Å; V356-S358 VanDerWaalsContact C-N 3.34Å; V356-S358 PolarHBondContact O-N 2.81Å; S358-R362 WeakPolarHBondContact O-CB 3.34Å; S358-R362 PolarHBondContact O-N 2.95Å; S358-R362 VanDerWaalsContact O-N 3.14Å; S358-R362 PolarHBondContact OG-NH1 3.08Å; S358-R362 VanDerWaalsContact OG-NH1 3.12Å; S358-C433 PolarHBondContact OG-N 2.84Å; S358-C433 PolarHBondContact OG-O 3.19Å
359	V	98.6	Very high	97.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-64.6	-46.5	173.7	172.2	0	0	0	0	111.6	V340 F342 S355 V356 H357 N361 S363 L368 I371 L427 W437	V340-V359 HydrophobicContact CB-CG1 4.43Å; V340-V359 HydrophobicContact CG1-CG1 4.35Å; V340-V359 HydrophobicContact CG1-CG2 4.4Å; V340-V359 HydrophobicContact CG2-CG1 4.03Å; F342-V359 HydrophobicContact CE2-CG2 4.13Å; F342-V359 HydrophobicContact CZ-CG2 3.73Å; S355-V359 PolarHBondContact O-N 3.12Å; V356-V359 PolarHBondContact O-N 2.8Å; H357-V359 VanDerWaalsContact C-N 3.33Å; H357-V359 PolarHBondContact O-N 3.43Å; V359-N361 VanDerWaalsContact C-N 3.3Å; V359-N361 PolarHBondContact O-N 3.42Å; V359-S363 WeakPolarHBondContact O-CB 3.17Å; V359-S363 PolarHBondContact O-N 3.16Å; V359-S363 PolarHBondContact O-OG 2.84Å; V359-L368 HydrophobicContact CG1-CD1 4.13Å; V359-L368 HydrophobicContact CG1-CD2 4Å; V359-I371 HydrophobicContact CB-CD1 4.11Å; V359-I371 HydrophobicContact CG1-CD1 3.65Å; V359-I371 HydrophobicContact CG1-CG1 4.14Å; V359-L427 HydrophobicContact CG2-CD1 3.62Å; V359-W437 HydrophobicContact CG1-CZ2 4.35Å; V359-W437 HydrophobicContact CG2-CZ2 4.17Å
360	L	97.9	Very high	97.9	Very high	24 Å²	24	17.7 Å²	17.7	13%	0.126	9%	0.089	C	C	.	.	H	α-helix	trans	-64.4	-32	-178.9	-73.1	172.6	0	0	0	113.6	V356 H357 L368 I371 F394 V397	V356-L360 HydrophobicContact CG1-CD1 3.92Å; V356-L360 HydrophobicContact CG1-CG 4.41Å; V356-L360 WeakPolarHBondContact O-CG 3.5Å; V356-L360 PolarHBondContact O-N 3.38Å; H357-L360 PolarHBondContact O-N 2.9Å; L360-L368 HydrophobicContact CD2-CD2 4.2Å; L360-I371 HydrophobicContact CD2-CD1 3.66Å; L360-I371 HydrophobicContact CG-CD1 3.71Å; L360-F394 HydrophobicContact CD1-CB 4.19Å; L360-F394 HydrophobicContact CD1-CD1 3.7Å; L360-F394 HydrophobicContact CD1-CD2 4.2Å; L360-F394 HydrophobicContact CD1-CE1 4.09Å; L360-F394 HydrophobicContact CD1-CG 3.76Å; L360-V397 HydrophobicContact CD1-CG2 4.2Å
361	N	97.3	Very high	98	Very high	4 Å²	4	17.4 Å²	17.4	2%	0.021	9%	0.087	C	C	.	.	H	α-helix	trans	-86.1	-30.1	-176.3	-62.8	-16.1	0	0	0	112.4	D267 A268 H357 V359	D267-N361 WeakPolarHBondContact CA-O 3.5Å; A268-N361 PolarHBondContact N-O 2.86Å; A268-N361 PolarHBondContact O-OD1 3.04Å; H357-N361 VanDerWaalsContact O-CB 3.28Å; H357-N361 WeakPolarHBondContact O-CB 3.5Å; H357-N361 PolarHBondContact O-N 3.08Å; H357-N361 PolarHBondContact O-ND2 2.84Å; H357-N361 PolarHBondContact O-OD1 3.29Å; V359-N361 VanDerWaalsContact C-N 3.3Å; V359-N361 PolarHBondContact O-N 3.42Å
362	R	97.6	Very high	98	Very high	3 Å²	3	17.3 Å²	17.3	1%	0.011	9%	0.087	C	C	.	.	H	α-helix	trans	-116.8	13.3	-170.5	-59.6	178	-177.7	124.4	15.7	115.5	L266 D267 R273 R316 S358 C433 W437	L266-R362 WeakPolarHBondContact O-CA 3.32Å; D267-R362 HydrophobicContact CB-CG 4.15Å; D267-R362 VanDerWaalsContact CG-NE 3.3Å; D267-R362 IonicContact OD1-CZ 2.73Å; D267-R362 IonicContact OD1-NE 3.06Å; D267-R362 PolarHBondContact OD1-NE 3.32Å; D267-R362 IonicContact OD1-NH2 3.31Å; D267-R362 IonicContact OD2-CZ 2.98Å; D267-R362 IonicContact OD2-NE 3.78Å; D267-R362 PolarHBondContact OD2-NE 3.01Å; D267-R362 IonicContact OD2-NH2 2.62Å; D267-R362 PolarHBondContact OD2-NH2 2.8Å; R273-R362 VanDerWaalsContact NH2-NH2 3.19Å; R316-R362 PolarHBondContact O-NH2 3.2Å; S358-R362 WeakPolarHBondContact O-CB 3.34Å; S358-R362 PolarHBondContact O-N 2.95Å; S358-R362 VanDerWaalsContact O-N 3.14Å; S358-R362 PolarHBondContact OG-NH1 3.08Å; S358-R362 VanDerWaalsContact OG-NH1 3.12Å; R362-C433 WeakPolarHBondContact CD-O 3.11Å; R362-C433 PolarHBondContact NH1-O 3.48Å; R362-W437 PolarHBondContact O-NE1 3.48Å
363	S	98	Very high	98.1	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.014	9%	0.087	C	C	.	.	S	Bend	trans	-114.1	132.1	176.5	-50.7	0	0	0	0	111.2	L266 V359 W437	L266-S363 WeakPolarHBondContact CD2-O 3.28Å; V359-S363 WeakPolarHBondContact O-CB 3.17Å; V359-S363 PolarHBondContact O-N 3.16Å; V359-S363 PolarHBondContact O-OG 2.84Å; S363-W437 PolarHBondContact OG-NE1 3.02Å; S363-W437 VanDerWaalsContact OG-NE1 3.13Å
364	P	97	Very high	98.1	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.086	C	C	.	.			trans	-54.4	126.7	178.1	-29.4	36.8	0	0	0	112.7	L264 H366 L367 L368 E439	L264-P364 HydrophobicContact CD1-CB 4.24Å; L264-P364 HydrophobicContact CD1-CG 4.06Å; P364-H366 PolarHBondContact O-N 3.03Å; P364-L367 HydrophobicContact CB-CB 4.44Å; P364-L367 HydrophobicContact CB-CD1 3.96Å; P364-L367 HydrophobicContact CB-CG 4.07Å; P364-L367 HydrophobicContact CG-CD1 3.99Å; P364-L367 PolarHBondContact O-N 3.29Å; P364-L368 PolarHBondContact O-N 3.37Å; P364-E439 HydrophobicContact CG-CG 3.96Å; P364-E439 WeakPolarHBondContact CG-OE2 3.3Å
365	P	95.8	Very high	98.1	Very high	70 Å²	70	17 Å²	17	46%	0.455	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-13.6	-171.7	-28.1	36.2	0	0	0	116.6	K396	P365-K396 PolarHBondContact O-NZ 3.13Å
366	H	96.4	Very high	98	Very high	108 Å²	108	17.3 Å²	17.3	50%	0.5	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-31.9	174.3	57.1	-88.6	0	0	0	112.5	P364	P364-H366 PolarHBondContact O-N 3.03Å
367	L	98.3	Very high	97.9	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.01	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-40	-179.1	-55.6	179.1	0	0	0	112.7	L335 T337 T338 P364 K369 L438 E439 L442	L335-L367 HydrophobicContact CB-CD1 4.36Å; L335-L367 HydrophobicContact CB-CD2 3.65Å; L335-L367 HydrophobicContact CD1-CD1 3.99Å; L335-L367 WeakPolarHBondContact O-CD2 3.43Å; T337-L367 CarbonylContact C-O 3.18Å; T337-L367 WeakPolarHBondContact CA-O 3.43Å; T338-L367 PolarHBondContact N-O 3.22Å; P364-L367 HydrophobicContact CB-CB 4.44Å; P364-L367 HydrophobicContact CB-CD1 3.96Å; P364-L367 HydrophobicContact CB-CG 4.07Å; P364-L367 HydrophobicContact CG-CD1 3.99Å; P364-L367 PolarHBondContact O-N 3.29Å; L367-K369 PolarHBondContact O-N 2.9Å; L367-L438 HydrophobicContact CB-CD2 4.33Å; L367-E439 HydrophobicContact CD1-CG 3.72Å; L367-L442 HydrophobicContact CB-CD1 3.91Å; L367-L442 HydrophobicContact CD1-CD1 3.92Å; L367-L442 HydrophobicContact CG-CD1 4.34Å
368	L	98.5	Very high	97.8	Very high	4 Å²	4	18 Å²	18	2%	0.021	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	100.9	178.7	179.8	62.9	0	0	0	110.3	V340 V359 L360 P364 I371 K396	V340-L368 HydrophobicContact CB-CD1 4.22Å; V340-L368 HydrophobicContact CG2-CD1 3.59Å; V359-L368 HydrophobicContact CG1-CD1 4.13Å; V359-L368 HydrophobicContact CG1-CD2 4Å; L360-L368 HydrophobicContact CD2-CD2 4.2Å; P364-L368 PolarHBondContact O-N 3.37Å; L368-I371 HydrophobicContact CD1-CG1 4.02Å; L368-I371 HydrophobicContact CD2-CD1 4.23Å; L368-I371 HydrophobicContact CD2-CG1 4.21Å; L368-K396 WeakPolarHBondContact O-CE 3.12Å; L368-K396 PolarHBondContact O-NZ 3.22Å
369	K	98.6	Very high	97.7	Very high	106 Å²	106	22.5 Å²	22.5	46%	0.461	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	-55.8	-178.4	-167.6	69.5	167.4	-165.5	0	111.7	T338 L367 K420	T338-K369 WeakPolarHBondContact O-CA 3.47Å; T338-K369 WeakPolarHBondContact O-CB 3.45Å; T338-K369 PolarHBondContact O-N 2.9Å; L367-K369 PolarHBondContact O-N 2.9Å; K369-K420 HydrophobicContact CG-CB 4.31Å
370	E	98.6	Very high	97.5	Very high	13 Å²	13	26.4 Å²	26.4	6%	0.061	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	162.9	176	70.3	-173.3	143.2	0	0	109.9	T339 V340 I372 K396 R398 K420	T339-E370 WeakPolarHBondContact CA-O 3.39Å; T339-E370 HydrophobicContact CG2-CG 3.68Å; T339-E370 WeakPolarHBondContact OG1-CG 3.4Å; T339-E370 PolarHBondContact OG1-OE1 3.45Å; V340-E370 PolarHBondContact N-O 3.45Å; E370-I372 HydrophobicContact CG-CG1 4.15Å; E370-K396 CarbonylContact C-O 3.33Å; E370-K396 VanDerWaalsContact CA-O 3.31Å; E370-K396 WeakPolarHBondContact CA-O 3.39Å; E370-K396 WeakPolarHBondContact CB-O 3.43Å; E370-R398 IonicContact OE1-NH2 3.8Å; E370-R398 PolarHBondContact OE1-NH2 2.6Å; E370-R398 IonicContact OE2-CZ 3.35Å; E370-R398 VanDerWaalsContact OE2-CZ 3.28Å; E370-R398 IonicContact OE2-NE 3.11Å; E370-R398 PolarHBondContact OE2-NE 2.88Å; E370-R398 IonicContact OE2-NH2 2.72Å; E370-R398 PolarHBondContact OE2-NH2 3Å; E370-K420 VanDerWaalsContact OE1-CB 3.3Å; E370-K420 WeakPolarHBondContact OE1-CB 3.32Å; E370-K420 VanDerWaalsContact OE1-CG 3.29Å; E370-K420 WeakPolarHBondContact OE1-CG 3.09Å; E370-K420 PolarHBondContact OE1-N 2.76Å
371	I	98.9	Very high	97.5	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	126	167.3	-56.7	178.3	0	0	0	107.2	V340 F342 V356 V359 L360 L368 L373 K396 V397 R398	V340-I371 HydrophobicContact CB-CG1 4.35Å; V340-I371 CarbonylContact O-C 3.54Å; V340-I371 WeakPolarHBondContact O-CA 3.23Å; F342-I371 HydrophobicContact CD2-CG2 3.64Å; F342-I371 HydrophobicContact CE2-CG2 3.77Å; V356-I371 HydrophobicContact CG1-CD1 4.17Å; V359-I371 HydrophobicContact CB-CD1 4.11Å; V359-I371 HydrophobicContact CG1-CD1 3.65Å; V359-I371 HydrophobicContact CG1-CG1 4.14Å; L360-I371 HydrophobicContact CD2-CD1 3.66Å; L360-I371 HydrophobicContact CG-CD1 3.71Å; L368-I371 HydrophobicContact CD1-CG1 4.02Å; L368-I371 HydrophobicContact CD2-CD1 4.23Å; L368-I371 HydrophobicContact CD2-CG1 4.21Å; I371-L373 HydrophobicContact CG2-CD2 3.73Å; I371-K396 PolarHBondContact N-O 2.72Å; I371-V397 HydrophobicContact CB-CG2 4.27Å; I371-V397 HydrophobicContact CD1-CG2 4.29Å; I371-V397 CarbonylContact O-C 3.54Å; I371-V397 WeakPolarHBondContact O-CA 3.49Å; I371-R398 PolarHBondContact O-N 3.19Å
372	I	98.9	Very high	97.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	124.6	174	-64.4	-178.8	0	0	0	109	T339 V340 I341 F342 E370 V374 R398 I400 V418 A419	T339-I372 HydrophobicContact CG2-CB 4.48Å; T339-I372 HydrophobicContact CG2-CD1 3.66Å; T339-I372 HydrophobicContact CG2-CG1 3.82Å; V340-I372 PolarHBondContact O-N 3.49Å; I341-I372 HydrophobicContact CG1-CB 4.46Å; F342-I372 PolarHBondContact N-O 2.77Å; E370-I372 HydrophobicContact CG-CG1 4.15Å; I372-V374 HydrophobicContact CG2-CG2 3.74Å; I372-R398 CarbonylContact C-O 3.58Å; I372-R398 WeakPolarHBondContact CA-O 3.35Å; I372-I400 HydrophobicContact CG2-CD1 3.41Å; I372-I400 VanDerWaalsContact CG2-CD1 3.41Å; I372-I400 HydrophobicContact CG2-CG1 3.95Å; I372-V418 HydrophobicContact CD1-CG2 4.13Å; I372-A419 HydrophobicContact CD1-CB 4.21Å
373	L	98.8	Very high	97.4	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	111.5	170.2	-44.1	-175	0	0	0	108.4	F342 F344 V356 I371 M391 V397 R398 I399 I400	F342-L373 HydrophobicContact CB-CD2 3.87Å; F342-L373 HydrophobicContact CD2-CD2 3.58Å; F342-L373 HydrophobicContact CG-CD2 4.09Å; F344-L373 HydrophobicContact CD1-CB 4.35Å; F344-L373 HydrophobicContact CE1-CB 3.78Å; V356-L373 HydrophobicContact CG2-CD1 4.12Å; V356-L373 HydrophobicContact CG2-CD2 3.62Å; I371-L373 HydrophobicContact CG2-CD2 3.73Å; L373-M391 HydrophobicContact CD1-CE 4.08Å; L373-M391 HydrophobicContact CD1-CG 4.07Å; L373-M391 HydrophobicContact CD1-SD 4.28Å; L373-V397 HydrophobicContact CD1-CG1 3.88Å; L373-V397 HydrophobicContact CG-CG1 3.97Å; L373-R398 PolarHBondContact N-O 2.82Å; L373-I399 HydrophobicContact CB-CG1 4.27Å; L373-I399 HydrophobicContact CB-CG2 4.46Å; L373-I399 HydrophobicContact CD1-CD1 4.4Å; L373-I399 HydrophobicContact CD1-CG1 4.16Å; L373-I399 HydrophobicContact CG-CG1 4.43Å; L373-I399 CarbonylContact O-C 3.59Å; L373-I399 WeakPolarHBondContact O-CA 3.36Å; L373-I400 PolarHBondContact O-N 2.88Å
374	V	98.7	Very high	97.4	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	109.5	177.7	-167.7	0	0	0	0	109.7	I341 F342 C343 F344 I372 D376 I400 L402 A411	I341-V374 HydrophobicContact CG2-CG2 4.24Å; F342-V374 PolarHBondContact O-N 3.16Å; C343-V374 WeakPolarHBondContact CA-O 3.41Å; F344-V374 VanDerWaalsContact CD1-O 3.28Å; F344-V374 WeakPolarHBondContact CD1-O 3.45Å; F344-V374 PolarHBondContact N-O 2.94Å; I372-V374 HydrophobicContact CG2-CG2 3.74Å; V374-D376 PolarHBondContact O-N 3.36Å; V374-I400 HydrophobicContact CG2-CD1 4.42Å; V374-L402 HydrophobicContact CG1-CD1 4.32Å; V374-L402 HydrophobicContact CG1-CD2 4.27Å; V374-L402 HydrophobicContact CG1-CG 4.1Å; V374-A411 HydrophobicContact CB-CB 4.36Å; V374-A411 HydrophobicContact CG1-CB 3.84Å
375	D	98.4	Very high	97.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	105.6	173.4	-179.9	15.4	0	0	0	109.9	F344 A377 S378 K384 I400 R401 L402	F344-D375 HydrophobicContact CE1-CB 3.87Å; F344-D375 HydrophobicContact CE2-CB 4.06Å; F344-D375 HydrophobicContact CZ-CB 3.54Å; D375-A377 PolarHBondContact O-N 3.23Å; D375-A377 PolarHBondContact OD1-N 3.05Å; D375-S378 WeakPolarHBondContact OD1-CB 3.47Å; D375-S378 PolarHBondContact OD1-N 3.2Å; D375-S378 PolarHBondContact OD1-OG 3.39Å; D375-K384 IonicContact OD1-NZ 3.22Å; D375-K384 IonicContact OD2-NZ 3.52Å; D375-K384 PolarHBondContact OD2-NZ 3Å; D375-I400 PolarHBondContact N-O 3.16Å; D375-R401 WeakPolarHBondContact OD2-CD 3.47Å; D375-R401 IonicContact OD2-CZ 2.73Å; D375-R401 IonicContact OD2-NE 3.72Å; D375-R401 IonicContact OD2-NH1 3.47Å; D375-R401 PolarHBondContact OD2-NH1 3.12Å; D375-L402 WeakPolarHBondContact O-CB 3.43Å; D375-L402 PolarHBondContact O-N 3.06Å
376	D	97	Very high	97.5	Very high	6 Å²	6	45.9 Å²	45.9	3%	0.032	22%	0.222	C	C	.	.			trans	-77	60.6	172.6	177.4	45.8	0	0	0	110.5	F344 V345 V374 S378 R405 Q406 G407 A411	F344-D376 PolarHBondContact O-N 3.36Å; V345-D376 HydrophobicContact CB-CB 4.12Å; V345-D376 VanDerWaalsContact CG2-O 3.31Å; V345-D376 WeakPolarHBondContact CG2-O 3.44Å; V374-D376 PolarHBondContact O-N 3.36Å; D376-S378 PolarHBondContact O-N 3.29Å; D376-R405 WeakPolarHBondContact O-CD 3.47Å; D376-R405 WeakPolarHBondContact OD1-CA 3.31Å; D376-R405 VanDerWaalsContact OD2-CD 3.23Å; D376-R405 WeakPolarHBondContact OD2-CD 3.11Å; D376-R405 IonicContact OD2-NE 3.74Å; D376-R405 PolarHBondContact OD2-NE 2.57Å; D376-Q406 PolarHBondContact OD1-N 3.3Å; D376-G407 VanDerWaalsContact CG-N 3.28Å; D376-G407 PolarHBondContact OD1-N 3.38Å; D376-G407 VanDerWaalsContact OD2-CA 3.22Å; D376-G407 WeakPolarHBondContact OD2-CA 3.46Å; D376-G407 PolarHBondContact OD2-N 2.98Å; D376-A411 HydrophobicContact CB-CB 4.35Å
377	A	96.2	Very high	97.6	Very high	25 Å²	25	40.7 Å²	40.7	21%	0.207	20%	0.199	C	C	.	.	S	Bend	trans	49.9	52.6	178	0	0	0	0	0	115.1	D375 R405	D375-A377 PolarHBondContact O-N 3.23Å; D375-A377 PolarHBondContact OD1-N 3.05Å; A377-R405 HydrophobicContact CB-CB 4.41Å
378	S	96.8	Very high	97.6	Very high	7 Å²	7	43.9 Å²	43.9	5%	0.049	22%	0.216	C	C	.	.			trans	-52.7	148.8	172.2	-57.1	0	0	0	0	112.8	V345 D346 D375 D376 K384	V345-S378 WeakPolarHBondContact CA-OG 3.5Å; D346-S378 PolarHBondContact N-OG 3.08Å; D375-S378 WeakPolarHBondContact OD1-CB 3.47Å; D375-S378 PolarHBondContact OD1-N 3.2Å; D375-S378 PolarHBondContact OD1-OG 3.39Å; D376-S378 PolarHBondContact O-N 3.29Å; S378-K384 WeakPolarHBondContact O-CE 3.33Å; S378-K384 PolarHBondContact O-NZ 3.05Å
379	T	95.3	Very high	97.6	Very high	98 Å²	98	48.7 Å²	48.7	60%	0.601	24%	0.238	S	C	*	.			trans	-96.8	-17.9	175.8	71	0	0	0	0	113.9	D346	D346-T379 VanDerWaalsContact CG-OG1 3.26Å; D346-T379 WeakPolarHBondContact OD1-CA 3.41Å; D346-T379 PolarHBondContact OD1-N 3.01Å; D346-T379 PolarHBondContact OD1-OG1 3.48Å; D346-T379 PolarHBondContact OD2-OG1 3.01Å
380	K	95.1	Very high	97.5	Very high	83 Å²	83	45.1 Å²	45.1	36%	0.361	22%	0.222	S	C	.	.			trans	-74.9	128.8	-179.9	-45.9	-52	176.2	-176.7	0	112.7	D346 Y382 L383	D346-K380 HydrophobicContact CB-CG 4.28Å; D346-K380 WeakPolarHBondContact OD1-CG 3.37Å; D346-K380 PolarHBondContact OD1-N 2.68Å; D346-K380 VanDerWaalsContact OD1-N 3.15Å; K380-Y382 VanDerWaalsContact C-N 3.34Å; K380-Y382 HydrophobicContact CB-CD1 3.96Å; K380-Y382 HydrophobicContact CB-CD2 4.37Å; K380-Y382 HydrophobicContact CB-CE1 3.75Å; K380-Y382 HydrophobicContact CB-CE2 4.16Å; K380-Y382 HydrophobicContact CB-CG 4.29Å; K380-Y382 HydrophobicContact CD-CE1 4.5Å; K380-Y382 HydrophobicContact CG-CE1 3.97Å; K380-Y382 HydrophobicContact CG-CE2 4.43Å; K380-Y382 PolarHBondContact O-N 3.28Å; K380-L383 HydrophobicContact CB-CB 4.48Å; K380-L383 HydrophobicContact CB-CD1 4.05Å; K380-L383 HydrophobicContact CB-CG 4.12Å; K380-L383 HydrophobicContact CG-CD1 4.15Å; K380-L383 WeakPolarHBondContact O-CB 3.47Å; K380-L383 PolarHBondContact O-N 3.14Å; K380-L383 VanDerWaalsContact O-N 3.12Å
381	D	96.8	Very high	97.5	Very high	142 Å²	142	44.7 Å²	44.7	76%	0.759	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-61.2	-38.6	178.4	-58.5	-59.3	0	0	0	113.3	L383 K384	D381-L383 PolarHBondContact O-N 2.79Å; D381-L383 VanDerWaalsContact O-N 3.16Å; D381-K384 WeakPolarHBondContact O-CB 3.15Å; D381-K384 PolarHBondContact O-N 3.48Å
382	Y	96.4	Very high	97.4	Very high	68 Å²	68	49.2 Å²	49.2	27%	0.267	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-62.3	-23.3	178.4	64	-110.1	0	0	0	112.9	E347 W349 K380 K384 L387	E347-Y382 PolarHBondContact O-OH 2.98Å; W349-Y382 HydrophobicContact CB-CD2 3.97Å; W349-Y382 HydrophobicContact CB-CE2 3.83Å; W349-Y382 AromaticContact CE3-CD2 3.95Å; W349-Y382 HydrophobicContact CE3-CD2 3.95Å; W349-Y382 VanDerWaalsContact CZ3-O 3.27Å; W349-Y382 WeakPolarHBondContact CZ3-O 3.25Å; K380-Y382 VanDerWaalsContact C-N 3.34Å; K380-Y382 HydrophobicContact CB-CD1 3.96Å; K380-Y382 HydrophobicContact CB-CD2 4.37Å; K380-Y382 HydrophobicContact CB-CE1 3.75Å; K380-Y382 HydrophobicContact CB-CE2 4.16Å; K380-Y382 HydrophobicContact CB-CG 4.29Å; K380-Y382 HydrophobicContact CD-CE1 4.5Å; K380-Y382 HydrophobicContact CG-CE1 3.97Å; K380-Y382 HydrophobicContact CG-CE2 4.43Å; K380-Y382 PolarHBondContact O-N 3.28Å; Y382-K384 VanDerWaalsContact C-N 3.29Å; Y382-K384 PolarHBondContact O-N 3.05Å; Y382-L387 PolarHBondContact O-N 2.86Å
383	L	97.7	Very high	97.3	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-79.9	-7.9	174.8	-67.8	176	0	0	0	113	F344 L352 K380 D381 L387 R401	F344-L383 HydrophobicContact CD2-CD1 4.21Å; F344-L383 HydrophobicContact CD2-CD2 4.36Å; F344-L383 HydrophobicContact CE2-CB 4.25Å; F344-L383 HydrophobicContact CE2-CD1 4.14Å; F344-L383 HydrophobicContact CE2-CD2 4.01Å; F344-L383 HydrophobicContact CE2-CG 4.36Å; L352-L383 HydrophobicContact CD2-CD2 3.64Å; K380-L383 HydrophobicContact CB-CB 4.48Å; K380-L383 HydrophobicContact CB-CD1 4.05Å; K380-L383 HydrophobicContact CB-CG 4.12Å; K380-L383 HydrophobicContact CG-CD1 4.15Å; K380-L383 WeakPolarHBondContact O-CB 3.47Å; K380-L383 PolarHBondContact O-N 3.14Å; K380-L383 VanDerWaalsContact O-N 3.12Å; D381-L383 PolarHBondContact O-N 2.79Å; D381-L383 VanDerWaalsContact O-N 3.16Å; L383-L387 HydrophobicContact CD2-CD2 4.31Å; L383-L387 WeakPolarHBondContact O-CB 3.44Å; L383-L387 WeakPolarHBondContact O-CD2 3.21Å; L383-R401 PolarHBondContact O-NH1 3.38Å; L383-R401 PolarHBondContact O-NH2 2.67Å
384	K	97.1	Very high	97.1	Very high	65 Å²	65	55.1 Å²	55.1	28%	0.283	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-121.2	-179	-52.8	-57.6	176.7	176.4	0	110.6	D375 S378 D381 Y382 Q386 L387 D388 R401	D375-K384 IonicContact OD1-NZ 3.22Å; D375-K384 IonicContact OD2-NZ 3.52Å; D375-K384 PolarHBondContact OD2-NZ 3Å; S378-K384 WeakPolarHBondContact O-CE 3.33Å; S378-K384 PolarHBondContact O-NZ 3.05Å; D381-K384 WeakPolarHBondContact O-CB 3.15Å; D381-K384 PolarHBondContact O-N 3.48Å; Y382-K384 VanDerWaalsContact C-N 3.29Å; Y382-K384 PolarHBondContact O-N 3.05Å; K384-Q386 PolarHBondContact O-N 3.08Å; K384-Q386 VanDerWaalsContact O-N 3.11Å; K384-L387 WeakPolarHBondContact O-CA 3.49Å; K384-L387 WeakPolarHBondContact O-CB 3.4Å; K384-L387 PolarHBondContact O-N 2.86Å; K384-D388 VanDerWaalsContact C-OD2 3.25Å; K384-D388 PolarHBondContact O-N 2.78Å; K384-D388 VanDerWaalsContact O-OD2 3.08Å; K384-R401 PolarHBondContact O-NH2 2.76Å
385	K	97.3	Very high	97	Very high	140 Å²	140	61 Å²	61	61%	0.609	32%	0.317	S	S	*	.	H	α-helix	trans	-50.1	-39.5	-174.4	-174.7	172.2	-178.1	-72.5	0	113.6	L387 D388 E389	K385-L387 PolarHBondContact O-N 3.05Å; K385-D388 PolarHBondContact O-N 2.86Å; K385-E389 IonicContact NZ-OE1 3.28Å; K385-E389 PolarHBondContact NZ-OE1 3.27Å; K385-E389 WeakPolarHBondContact O-CB 3.49Å; K385-E389 VanDerWaalsContact O-CG 3.29Å; K385-E389 WeakPolarHBondContact O-CG 3.27Å; K385-E389 PolarHBondContact O-N 2.95Å
386	Q	98.1	Very high	96.9	Very high	96 Å²	96	64.4 Å²	64.4	45%	0.449	33%	0.332	S	S	.	.	H	α-helix	trans	-64.7	-36.2	177.3	-175.3	-176.9	-1.9	0	0	112.8	W349 K384 Y390	W349-Q386 HydrophobicContact CH2-CG 3.86Å; W349-Q386 HydrophobicContact CZ2-CG 4.48Å; W349-Q386 HydrophobicContact CZ3-CG 4.25Å; K384-Q386 PolarHBondContact O-N 3.08Å; K384-Q386 VanDerWaalsContact O-N 3.11Å; Q386-Y390 VanDerWaalsContact O-CB 3.28Å; Q386-Y390 WeakPolarHBondContact O-CB 3.42Å; Q386-Y390 PolarHBondContact O-N 2.79Å
387	L	98.4	Very high	97	Very high	0 Å²	0	65 Å²	65	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-73.1	-39	173.8	-171.8	68.7	0	0	0	111.4	F344 W349 L352 L353 Y382 L383 K384 K385 Y390 M391 I399	F344-L387 HydrophobicContact CE2-CD2 4.06Å; F344-L387 HydrophobicContact CZ-CD2 3.66Å; W349-L387 HydrophobicContact CE3-CD1 4.24Å; W349-L387 HydrophobicContact CH2-CD1 4.32Å; W349-L387 HydrophobicContact CZ3-CB 3.94Å; W349-L387 HydrophobicContact CZ3-CD1 3.67Å; W349-L387 HydrophobicContact CZ3-CG 4.43Å; L352-L387 HydrophobicContact CD2-CD1 4.02Å; L352-L387 HydrophobicContact CD2-CD2 3.87Å; L353-L387 HydrophobicContact CD1-CD1 3.86Å; Y382-L387 PolarHBondContact O-N 2.86Å; L383-L387 HydrophobicContact CD2-CD2 4.31Å; L383-L387 WeakPolarHBondContact O-CB 3.44Å; L383-L387 WeakPolarHBondContact O-CD2 3.21Å; K384-L387 WeakPolarHBondContact O-CA 3.49Å; K384-L387 WeakPolarHBondContact O-CB 3.4Å; K384-L387 PolarHBondContact O-N 2.86Å; K385-L387 PolarHBondContact O-N 3.05Å; L387-Y390 PolarHBondContact O-N 2.76Å; L387-M391 HydrophobicContact CD1-CE 3.77Å; L387-M391 HydrophobicContact CD1-CG 4.08Å; L387-M391 HydrophobicContact CG-CG 4.26Å; L387-M391 WeakPolarHBondContact O-CB 3.34Å; L387-M391 VanDerWaalsContact O-CG 3.3Å; L387-M391 WeakPolarHBondContact O-CG 3.47Å; L387-M391 PolarHBondContact O-N 3.25Å; L387-I399 HydrophobicContact CD2-CD1 4.05Å; L387-I399 HydrophobicContact CG-CD1 3.85Å
388	D	97.7	Very high	97.1	Very high	69 Å²	69	67.3 Å²	67.3	37%	0.369	34%	0.339	S	S	.	.	H	α-helix	trans	-62	-45.8	176.3	-57.7	-50.6	0	0	0	110.7	K384 K385 S392 R401	K384-D388 VanDerWaalsContact C-OD2 3.25Å; K384-D388 PolarHBondContact O-N 2.78Å; K384-D388 VanDerWaalsContact O-OD2 3.08Å; K385-D388 PolarHBondContact O-N 2.86Å; D388-S392 PolarHBondContact O-N 2.82Å; D388-S392 VanDerWaalsContact O-N 3.08Å; D388-R401 IonicContact OD1-CZ 2.69Å; D388-R401 IonicContact OD1-NE 2.77Å; D388-R401 PolarHBondContact OD1-NE 3.44Å; D388-R401 IonicContact OD1-NH2 3.07Å; D388-R401 PolarHBondContact OD1-NH2 2.95Å; D388-R401 IonicContact OD2-NH2 2.76Å; D388-R401 PolarHBondContact OD2-NH2 3.18Å
389	E	98.2	Very high	97.2	Very high	105 Å²	105	68.7 Å²	68.7	49%	0.491	35%	0.345	S	S	.	.	H	α-helix	trans	-61.2	-49.9	173.5	-74.6	169.3	169.5	0	0	111.8	K385 M391 S392	K385-E389 IonicContact NZ-OE1 3.28Å; K385-E389 PolarHBondContact NZ-OE1 3.27Å; K385-E389 WeakPolarHBondContact O-CB 3.49Å; K385-E389 VanDerWaalsContact O-CG 3.29Å; K385-E389 WeakPolarHBondContact O-CG 3.27Å; K385-E389 PolarHBondContact O-N 2.95Å; E389-M391 PolarHBondContact O-N 2.75Å; E389-S392 WeakPolarHBondContact O-CB 3.46Å; E389-S392 PolarHBondContact O-N 2.79Å; E389-S392 PolarHBondContact O-OG 2.92Å
390	Y	97.9	Very high	97.3	Very high	30 Å²	30	65.6 Å²	65.6	12%	0.118	33%	0.325	C	S	.	.	H	α-helix	trans	-63.7	-38.7	-179.5	-174.9	-87.3	0	0	0	112.6	W349 L353 H357 Q386 L387 Q393 F394	W349-Y390 HydrophobicContact CH2-CG 4.11Å; W349-Y390 HydrophobicContact CZ2-CD2 4.16Å; W349-Y390 HydrophobicContact CZ2-CG 4.14Å; L353-Y390 HydrophobicContact CD1-CD1 4.37Å; L353-Y390 HydrophobicContact CD1-CE1 4.46Å; L353-Y390 HydrophobicContact CD2-CD1 3.86Å; L353-Y390 HydrophobicContact CD2-CD2 4.32Å; L353-Y390 HydrophobicContact CD2-CE1 3.41Å; L353-Y390 VanDerWaalsContact CD2-CE1 3.41Å; L353-Y390 HydrophobicContact CD2-CE2 3.91Å; L353-Y390 HydrophobicContact CD2-CG 4.29Å; L353-Y390 VanDerWaalsContact CD2-CZ 3.44Å; L353-Y390 HydrophobicContact CG-CD1 3.96Å; L353-Y390 HydrophobicContact CG-CE1 3.57Å; H357-Y390 AromaticContact NE2-CE1 3.97Å; H357-Y390 AromaticContact NE2-CZ 3.86Å; H357-Y390 PolarHBondContact NE2-OH 3.33Å; Q386-Y390 VanDerWaalsContact O-CB 3.28Å; Q386-Y390 WeakPolarHBondContact O-CB 3.42Å; Q386-Y390 PolarHBondContact O-N 2.79Å; L387-Y390 PolarHBondContact O-N 2.76Å; Y390-Q393 WeakPolarHBondContact O-CG 3.23Å; Y390-Q393 PolarHBondContact O-NE2 3.26Å; Y390-F394 HydrophobicContact CD1-CE2 4.41Å; Y390-F394 AromaticContact CE1-CE2 3.9Å; Y390-F394 HydrophobicContact CE1-CE2 3.9Å
391	M	97.9	Very high	97.4	Very high	5 Å²	5	65.4 Å²	65.4	3%	0.025	32%	0.322	C	S	.	.	H	α-helix	trans	-80.4	-18.3	-178.4	-66.1	-61.6	175.1	0	0	113.1	L353 V356 L373 L387 E389 Q393 F394 V397 I399	L353-M391 HydrophobicContact CD1-CE 3.8Å; L353-M391 HydrophobicContact CG-CE 4.02Å; V356-M391 HydrophobicContact CB-CE 4.22Å; V356-M391 HydrophobicContact CG1-CE 4.3Å; V356-M391 HydrophobicContact CG1-SD 4.1Å; V356-M391 HydrophobicContact CG2-CE 4.11Å; L373-M391 HydrophobicContact CD1-CE 4.08Å; L373-M391 HydrophobicContact CD1-CG 4.07Å; L373-M391 HydrophobicContact CD1-SD 4.28Å; L387-M391 HydrophobicContact CD1-CE 3.77Å; L387-M391 HydrophobicContact CD1-CG 4.08Å; L387-M391 HydrophobicContact CG-CG 4.26Å; L387-M391 WeakPolarHBondContact O-CB 3.34Å; L387-M391 VanDerWaalsContact O-CG 3.3Å; L387-M391 WeakPolarHBondContact O-CG 3.47Å; L387-M391 PolarHBondContact O-N 3.25Å; E389-M391 PolarHBondContact O-N 2.75Å; M391-Q393 PolarHBondContact O-N 2.75Å; M391-Q393 VanDerWaalsContact O-N 3.11Å; M391-F394 PolarHBondContact O-N 3.4Å; M391-F394 HydrophobicContact SD-CD2 4.06Å; M391-F394 HydrophobicContact SD-CE2 4.33Å; M391-V397 HydrophobicContact CB-CB 4.49Å; M391-V397 HydrophobicContact CB-CG1 3.94Å; M391-V397 HydrophobicContact CG-CG1 4.12Å; M391-V397 HydrophobicContact SD-CG1 4.04Å; M391-I399 HydrophobicContact CB-CD1 4Å; M391-I399 HydrophobicContact CG-CD1 4.02Å
392	S	97	Very high	97.4	Very high	94 Å²	94	60.4 Å²	60.4	66%	0.657	30%	0.295	S	S	*	.	H	α-helix	trans	-57.2	-25.8	177	74.1	0	0	0	0	114.1	D388 E389 F394	D388-S392 PolarHBondContact O-N 2.82Å; D388-S392 VanDerWaalsContact O-N 3.08Å; E389-S392 WeakPolarHBondContact O-CB 3.46Å; E389-S392 PolarHBondContact O-N 2.79Å; E389-S392 PolarHBondContact O-OG 2.92Å; S392-F394 PolarHBondContact O-N 3.48Å
393	Q	95.9	Very high	97.3	Very high	101 Å²	101	67.5 Å²	67.5	47%	0.472	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-9.8	176.3	80.4	-168.5	-61.8	0	0	114.1	Y390 M391 P395	Y390-Q393 WeakPolarHBondContact O-CG 3.23Å; Y390-Q393 PolarHBondContact O-NE2 3.26Å; M391-Q393 PolarHBondContact O-N 2.75Å; M391-Q393 VanDerWaalsContact O-N 3.11Å; Q393-P395 WeakPolarHBondContact O-CD 3.45Å
394	F	96.3	Very high	97.1	Very high	23 Å²	23	73.3 Å²	73.3	10%	0.101	35%	0.354	C	S	.	.			trans	-115.1	97.6	-178.2	-56.2	-63.3	0	0	0	110.8	H357 L360 Y390 M391 S392 K396 V397	H357-F394 AromaticContact CE1-CZ 3.65Å; H357-F394 AromaticContact NE2-CZ 3.72Å; L360-F394 HydrophobicContact CD1-CB 4.19Å; L360-F394 HydrophobicContact CD1-CD1 3.7Å; L360-F394 HydrophobicContact CD1-CD2 4.2Å; L360-F394 HydrophobicContact CD1-CE1 4.09Å; L360-F394 HydrophobicContact CD1-CG 3.76Å; Y390-F394 HydrophobicContact CD1-CE2 4.41Å; Y390-F394 AromaticContact CE1-CE2 3.9Å; Y390-F394 HydrophobicContact CE1-CE2 3.9Å; M391-F394 PolarHBondContact O-N 3.4Å; M391-F394 HydrophobicContact SD-CD2 4.06Å; M391-F394 HydrophobicContact SD-CE2 4.33Å; S392-F394 PolarHBondContact O-N 3.48Å; F394-K396 PolarHBondContact O-N 2.72Å; F394-V397 HydrophobicContact CB-CB 4.09Å; F394-V397 HydrophobicContact CB-CG2 3.57Å; F394-V397 HydrophobicContact CD2-CG2 4.41Å; F394-V397 HydrophobicContact CG-CG2 4.3Å; F394-V397 PolarHBondContact O-N 2.97Å
395	P	95.6	Very high	96.9	Very high	125 Å²	125	73.4 Å²	73.4	81%	0.812	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-8	-174.1	-27.6	35.8	0	0	0	116.8	Q393	Q393-P395 WeakPolarHBondContact O-CD 3.45Å
396	K	97.2	Very high	96.5	Very high	70 Å²	70	69.4 Å²	69.4	30%	0.304	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-9.9	174.5	-69.2	-167.4	176.8	-171.3	0	114	P365 L368 E370 I371 F394	P365-K396 PolarHBondContact O-NZ 3.13Å; L368-K396 WeakPolarHBondContact O-CE 3.12Å; L368-K396 PolarHBondContact O-NZ 3.22Å; E370-K396 CarbonylContact C-O 3.33Å; E370-K396 VanDerWaalsContact CA-O 3.31Å; E370-K396 WeakPolarHBondContact CA-O 3.39Å; E370-K396 WeakPolarHBondContact CB-O 3.43Å; I371-K396 PolarHBondContact N-O 2.72Å; F394-K396 PolarHBondContact O-N 2.72Å
397	V	98.4	Very high	96.2	Very high	20 Å²	20	64.9 Å²	64.9	12%	0.121	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	130.5	-179.2	-176.3	0	0	0	0	109.4	V356 L360 I371 L373 M391 F394	V356-V397 HydrophobicContact CG1-CG2 3.89Å; L360-V397 HydrophobicContact CD1-CG2 4.2Å; I371-V397 HydrophobicContact CB-CG2 4.27Å; I371-V397 HydrophobicContact CD1-CG2 4.29Å; I371-V397 CarbonylContact O-C 3.54Å; I371-V397 WeakPolarHBondContact O-CA 3.49Å; L373-V397 HydrophobicContact CD1-CG1 3.88Å; L373-V397 HydrophobicContact CG-CG1 3.97Å; M391-V397 HydrophobicContact CB-CB 4.49Å; M391-V397 HydrophobicContact CB-CG1 3.94Å; M391-V397 HydrophobicContact CG-CG1 4.12Å; M391-V397 HydrophobicContact SD-CG1 4.04Å; F394-V397 HydrophobicContact CB-CB 4.09Å; F394-V397 HydrophobicContact CB-CG2 3.57Å; F394-V397 HydrophobicContact CD2-CG2 4.41Å; F394-V397 HydrophobicContact CG-CG2 4.3Å; F394-V397 PolarHBondContact O-N 2.97Å
398	R	97.8	Very high	95.9	Very high	73 Å²	73	66.7 Å²	66.7	28%	0.275	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	130.8	177.3	175.5	162.5	59.2	117.6	-6.9	109.6	E370 I371 I372 L373 V418	E370-R398 IonicContact OE1-NH2 3.8Å; E370-R398 PolarHBondContact OE1-NH2 2.6Å; E370-R398 IonicContact OE2-CZ 3.35Å; E370-R398 VanDerWaalsContact OE2-CZ 3.28Å; E370-R398 IonicContact OE2-NE 3.11Å; E370-R398 PolarHBondContact OE2-NE 2.88Å; E370-R398 IonicContact OE2-NH2 2.72Å; E370-R398 PolarHBondContact OE2-NH2 3Å; I371-R398 PolarHBondContact O-N 3.19Å; I372-R398 CarbonylContact C-O 3.58Å; I372-R398 WeakPolarHBondContact CA-O 3.35Å; L373-R398 PolarHBondContact N-O 2.82Å; R398-V418 PolarHBondContact NH2-O 3.38Å
399	I	98.5	Very high	95.7	Very high	35 Å²	35	63.4 Å²	63.4	18%	0.179	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	138.9	178.5	-50.3	-177.8	0	0	0	109.6	L373 L387 M391	L373-I399 HydrophobicContact CB-CG1 4.27Å; L373-I399 HydrophobicContact CB-CG2 4.46Å; L373-I399 HydrophobicContact CD1-CD1 4.4Å; L373-I399 HydrophobicContact CD1-CG1 4.16Å; L373-I399 HydrophobicContact CG-CG1 4.43Å; L373-I399 CarbonylContact O-C 3.59Å; L373-I399 WeakPolarHBondContact O-CA 3.36Å; L387-I399 HydrophobicContact CD2-CD1 4.05Å; L387-I399 HydrophobicContact CG-CD1 3.85Å; M391-I399 HydrophobicContact CB-CD1 4Å; M391-I399 HydrophobicContact CG-CD1 4.02Å
400	I	97.9	Very high	95.5	Very high	34 Å²	34	61.5 Å²	61.5	17%	0.174	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	129.9	173	-57.8	175.7	0	0	0	107.1	I372 L373 V374 D375 V418	I372-I400 HydrophobicContact CG2-CD1 3.41Å; I372-I400 VanDerWaalsContact CG2-CD1 3.41Å; I372-I400 HydrophobicContact CG2-CG1 3.95Å; L373-I400 PolarHBondContact O-N 2.88Å; V374-I400 HydrophobicContact CG2-CD1 4.42Å; D375-I400 PolarHBondContact N-O 3.16Å; I400-V418 HydrophobicContact CD1-CG2 3.32Å
401	R	97.8	Very high	95.5	Very high	78 Å²	78	60.1 Å²	60.1	29%	0.294	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	116.5	178	-53.2	-58.2	-172.3	162.3	-2.7	109.6	D375 L383 K384 D388	D375-R401 WeakPolarHBondContact OD2-CD 3.47Å; D375-R401 IonicContact OD2-CZ 2.73Å; D375-R401 IonicContact OD2-NE 3.72Å; D375-R401 IonicContact OD2-NH1 3.47Å; D375-R401 PolarHBondContact OD2-NH1 3.12Å; L383-R401 PolarHBondContact O-NH1 3.38Å; L383-R401 PolarHBondContact O-NH2 2.67Å; K384-R401 PolarHBondContact O-NH2 2.76Å; D388-R401 IonicContact OD1-CZ 2.69Å; D388-R401 IonicContact OD1-NE 2.77Å; D388-R401 PolarHBondContact OD1-NE 3.44Å; D388-R401 IonicContact OD1-NH2 3.07Å; D388-R401 PolarHBondContact OD1-NH2 2.95Å; D388-R401 IonicContact OD2-NH2 2.76Å; D388-R401 PolarHBondContact OD2-NH2 3.18Å
402	L	96.9	Very high	95.4	Very high	37 Å²	37	60 Å²	60	19%	0.194	29%	0.29	C	S	.	.			trans	-75.7	139.9	167	-56	-170.8	0	0	0	109.1	V374 D375 E404 Q406 A411 A414	V374-L402 HydrophobicContact CG1-CD1 4.32Å; V374-L402 HydrophobicContact CG1-CD2 4.27Å; V374-L402 HydrophobicContact CG1-CG 4.1Å; D375-L402 WeakPolarHBondContact O-CB 3.43Å; D375-L402 PolarHBondContact O-N 3.06Å; L402-E404 VanDerWaalsContact C-N 3.29Å; L402-E404 PolarHBondContact O-N 2.94Å; L402-Q406 HydrophobicContact CD1-CB 4.16Å; L402-A411 HydrophobicContact CD1-CB 4.16Å; L402-A414 HydrophobicContact CD2-CB 4Å
403	K	94.7	Very high	95.4	Very high	218 Å²	218	57.2 Å²	57.2	95%	0.948	27%	0.267	S	S	*	.	S	Bend	trans	-70.3	-27.5	-178.2	-67.1	-176	177.9	-178.7	0	113
404	E	93.3	Very high	95.5	Very high	121 Å²	121	53.9 Å²	53.9	57%	0.565	26%	0.257	S	S	*	.	S	Bend	trans	-143.9	165	-177.5	74.3	-165.5	147.9	0	0	109.3	L402 Q406	L402-E404 VanDerWaalsContact C-N 3.29Å; L402-E404 PolarHBondContact O-N 2.94Å; E404-Q406 HydrophobicContact CG-CG 3.93Å; E404-Q406 PolarHBondContact O-N 3.39Å; E404-Q406 PolarHBondContact OE1-NE2 3.5Å
405	R	91.4	Very high	95.6	Very high	68 Å²	68	52.8 Å²	52.8	26%	0.257	25%	0.252	S	S	.	.			trans	-76.7	105.8	-178.6	-179.2	96	-175.8	-73	0.5	110.6	D376 A377 K572 P574	D376-R405 WeakPolarHBondContact O-CD 3.47Å; D376-R405 WeakPolarHBondContact OD1-CA 3.31Å; D376-R405 VanDerWaalsContact OD2-CD 3.23Å; D376-R405 WeakPolarHBondContact OD2-CD 3.11Å; D376-R405 IonicContact OD2-NE 3.74Å; D376-R405 PolarHBondContact OD2-NE 2.57Å; A377-R405 HydrophobicContact CB-CB 4.41Å; R405-K572 VanDerWaalsContact CZ-O 3.31Å; R405-K572 PolarHBondContact NH1-O 2.93Å; R405-K572 PolarHBondContact NH2-O 3.16Å; R405-P574 HydrophobicContact CG-CG 4.05Å
406	Q	89.9	Confident	95.7	Very high	55 Å²	55	46.8 Å²	46.8	26%	0.257	21%	0.213	S	C	.	.			trans	-106.7	-16	-179.2	-72.6	-70.9	-7.2	0	0	113.2	D376 L402 E404 R410	D376-Q406 PolarHBondContact OD1-N 3.3Å; L402-Q406 HydrophobicContact CD1-CB 4.16Å; E404-Q406 HydrophobicContact CG-CG 3.93Å; E404-Q406 PolarHBondContact O-N 3.39Å; E404-Q406 PolarHBondContact OE1-NE2 3.5Å; Q406-R410 HydrophobicContact CB-CB 3.81Å
407	G	91.8	Very high	95.8	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.01	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	89.6	171.9	175.9	0	0	0	0	0	115.4	D376 I409 R410 A411 V534	D376-G407 VanDerWaalsContact CG-N 3.28Å; D376-G407 PolarHBondContact OD1-N 3.38Å; D376-G407 VanDerWaalsContact OD2-CA 3.22Å; D376-G407 WeakPolarHBondContact OD2-CA 3.46Å; D376-G407 PolarHBondContact OD2-N 2.98Å; G407-I409 VanDerWaalsContact C-N 3.28Å; G407-I409 PolarHBondContact O-N 2.79Å; G407-R410 PolarHBondContact O-N 3.43Å; G407-A411 VanDerWaalsContact O-CB 3.29Å; G407-A411 WeakPolarHBondContact O-CB 3.41Å; G407-A411 PolarHBondContact O-N 2.62Å; G407-V534 CarbonylContact C-O 3.57Å
408	L	92.6	Very high	95.8	Very high	38 Å²	38	48.5 Å²	48.5	20%	0.199	24%	0.235	C	C	.	.	H	α-helix	trans	-53.6	-44.8	-173.4	-178.5	63.8	0	0	0	112.3	C343 A411 R412 V534	C343-L408 HydrophobicContact CB-CD1 3.65Å; L408-A411 PolarHBondContact O-N 3.45Å; L408-R412 HydrophobicContact CD1-CG 4.29Å; L408-R412 WeakPolarHBondContact O-CB 3.38Å; L408-R412 VanDerWaalsContact O-CG 3.28Å; L408-R412 WeakPolarHBondContact O-CG 3.38Å; L408-R412 PolarHBondContact O-N 2.98Å; L408-V534 PolarHBondContact N-O 2.77Å
409	I	93.1	Very high	95.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.6	-51.1	-174.3	-51.7	175.9	0	0	0	110.1	G407 R412 L413 Y528 L532 E538	G407-I409 VanDerWaalsContact C-N 3.28Å; G407-I409 PolarHBondContact O-N 2.79Å; I409-R412 PolarHBondContact O-N 2.84Å; I409-L413 WeakPolarHBondContact O-CG 3.39Å; I409-L413 PolarHBondContact O-N 3.13Å; I409-L413 VanDerWaalsContact O-N 3.12Å; I409-Y528 HydrophobicContact CG2-CD2 4.17Å; I409-Y528 HydrophobicContact CG2-CG 3.96Å; I409-L532 HydrophobicContact CD1-CB 3.45Å; I409-L532 VanDerWaalsContact CD1-CB 3.45Å; I409-L532 HydrophobicContact CD1-CD1 4.21Å; I409-L532 HydrophobicContact CD1-CG 4.47Å; I409-L532 HydrophobicContact CG2-CB 4.49Å; I409-E538 HydrophobicContact CD1-CB 3.82Å; I409-E538 HydrophobicContact CD1-CG 4.37Å; I409-E538 HydrophobicContact CG1-CB 3.91Å; I409-E538 HydrophobicContact CG1-CG 4.05Å
410	R	94.6	Very high	95.8	Very high	66 Å²	66	50.2 Å²	50.2	25%	0.249	24%	0.244	C	C	.	.	H	α-helix	trans	-74.5	-30.6	-179.8	-67.5	-179.9	-171.3	135.8	16.2	112.6	Q406 G407 L413 A414 P530 L532 D533	Q406-R410 HydrophobicContact CB-CB 3.81Å; G407-R410 PolarHBondContact O-N 3.43Å; R410-L413 PolarHBondContact O-N 3.27Å; R410-A414 WeakPolarHBondContact O-CB 3.02Å; R410-A414 PolarHBondContact O-N 3.26Å; R410-P530 PolarHBondContact NE-O 2.96Å; R410-P530 PolarHBondContact NH2-O 3.4Å; R410-L532 PolarHBondContact NH2-O 3.47Å; R410-D533 IonicContact CZ-OD1 2.77Å; R410-D533 IonicContact NH1-OD1 2.76Å; R410-D533 PolarHBondContact NH1-OD1 2.95Å; R410-D533 IonicContact NH2-OD1 3.57Å; R410-D533 PolarHBondContact NH2-OD1 3.03Å
411	A	96.4	Very high	95.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.4	-42.6	170.2	0	0	0	0	0	112	C343 V374 D376 L402 G407 L408 A414 G415	C343-A411 HydrophobicContact CB-CB 4Å; C343-A411 VanDerWaalsContact SG-C 3.59Å; V374-A411 HydrophobicContact CB-CB 4.36Å; V374-A411 HydrophobicContact CG1-CB 3.84Å; D376-A411 HydrophobicContact CB-CB 4.35Å; L402-A411 HydrophobicContact CD1-CB 4.16Å; G407-A411 VanDerWaalsContact O-CB 3.29Å; G407-A411 WeakPolarHBondContact O-CB 3.41Å; G407-A411 PolarHBondContact O-N 2.62Å; L408-A411 PolarHBondContact O-N 3.45Å; A411-A414 PolarHBondContact O-N 3.49Å; A411-G415 PolarHBondContact O-N 3.3Å
412	R	97.3	Very high	95.9	Very high	3 Å²	3	50.2 Å²	50.2	1%	0.011	25%	0.248	C	C	.	.	H	α-helix	trans	-62.8	-42.7	174	-74.8	176.5	175.5	-163	-5.1	112.1	C343 L408 I409 G415 A416 F426 D428 G512 G513 Y528	C343-R412 VanDerWaalsContact SG-CG 3.57Å; L408-R412 HydrophobicContact CD1-CG 4.29Å; L408-R412 WeakPolarHBondContact O-CB 3.38Å; L408-R412 VanDerWaalsContact O-CG 3.28Å; L408-R412 WeakPolarHBondContact O-CG 3.38Å; L408-R412 PolarHBondContact O-N 2.98Å; I409-R412 PolarHBondContact O-N 2.84Å; R412-G415 PolarHBondContact O-N 2.99Å; R412-A416 VanDerWaalsContact O-CB 3.28Å; R412-A416 WeakPolarHBondContact O-CB 3.46Å; R412-A416 PolarHBondContact O-N 3.01Å; R412-F426 HydrophobicContact CB-CD1 4.18Å; R412-F426 HydrophobicContact CB-CE1 3.73Å; R412-F426 HydrophobicContact CG-CD1 3.81Å; R412-F426 HydrophobicContact CG-CE1 3.91Å; R412-D428 IonicContact NH2-OD1 2.74Å; R412-G512 VanDerWaalsContact CZ-O 3.3Å; R412-G512 PolarHBondContact NH1-O 2.73Å; R412-G512 PolarHBondContact NH2-O 3.2Å; R412-G513 PolarHBondContact NH2-O 3.34Å; R412-Y528 HydrophobicContact CB-CE2 4.21Å; R412-Y528 PolarHBondContact NH1-OH 3.3Å
413	L	97.1	Very high	96	Very high	36 Å²	36	48.5 Å²	48.5	19%	0.188	24%	0.24	C	C	.	.	H	α-helix	trans	-60.6	-44.2	174.2	-66.9	172.9	0	0	0	111.9	I409 R410 G415 A416 A417 F522 A527 Y528	I409-L413 WeakPolarHBondContact O-CG 3.39Å; I409-L413 PolarHBondContact O-N 3.13Å; I409-L413 VanDerWaalsContact O-N 3.12Å; R410-L413 PolarHBondContact O-N 3.27Å; L413-G415 PolarHBondContact O-N 3.45Å; L413-A416 PolarHBondContact O-N 2.69Å; L413-A417 WeakPolarHBondContact O-CB 3.29Å; L413-A417 PolarHBondContact O-N 2.94Å; L413-F522 HydrophobicContact CD2-CE1 4.37Å; L413-F522 HydrophobicContact CD2-CZ 4.24Å; L413-A527 HydrophobicContact CD2-CB 3.42Å; L413-A527 VanDerWaalsContact CD2-CB 3.42Å; L413-Y528 HydrophobicContact CD2-CD2 4.45Å
414	A	97.5	Very high	96.2	Very high	30 Å²	30	38.1 Å²	38.1	25%	0.248	20%	0.195	C	C	.	.	H	α-helix	trans	-63.2	-40.8	177.3	0	0	0	0	0	112.7	L402 R410 A411	L402-A414 HydrophobicContact CD2-CB 4Å; R410-A414 WeakPolarHBondContact O-CB 3.02Å; R410-A414 PolarHBondContact O-N 3.26Å; A411-A414 PolarHBondContact O-N 3.49Å
415	G	98.1	Very high	96.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64.4	-47.2	173	0	0	0	0	0	112.6	A411 R412 L413 A417 V418 A419	A411-G415 PolarHBondContact O-N 3.3Å; R412-G415 PolarHBondContact O-N 2.99Å; L413-G415 PolarHBondContact O-N 3.45Å; G415-A417 VanDerWaalsContact C-N 3.34Å; G415-A417 PolarHBondContact O-N 3.43Å; G415-V418 PolarHBondContact O-N 2.71Å; G415-A419 PolarHBondContact O-N 3.3Å; G415-A419 VanDerWaalsContact O-N 3.14Å
416	A	98.3	Very high	96.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.5	-37.7	-179.1	0	0	0	0	0	112.9	I341 R412 L413 V418 L424 F426 K519 F522 F523	I341-A416 HydrophobicContact CD1-CB 4.32Å; R412-A416 VanDerWaalsContact O-CB 3.28Å; R412-A416 WeakPolarHBondContact O-CB 3.46Å; R412-A416 PolarHBondContact O-N 3.01Å; L413-A416 PolarHBondContact O-N 2.69Å; A416-V418 PolarHBondContact O-N 3.17Å; A416-L424 HydrophobicContact CB-CD1 3.68Å; A416-F426 HydrophobicContact CB-CZ 4.26Å; A416-K519 VanDerWaalsContact O-CE 3.24Å; A416-K519 WeakPolarHBondContact O-CE 3.48Å; A416-F522 HydrophobicContact CB-CD1 4.28Å; A416-F522 HydrophobicContact CB-CE1 3.72Å; A416-F523 HydrophobicContact CB-CZ 3.98Å
417	A	98	Very high	97.2	Very high	61 Å²	61	26.8 Å²	26.8	50%	0.504	15%	0.145	S	C	.	.	H	α-helix	trans	-58.1	-45.9	178.9	0	0	0	0	0	112	L413 G415	L413-A417 WeakPolarHBondContact O-CB 3.29Å; L413-A417 PolarHBondContact O-N 2.94Å; G415-A417 VanDerWaalsContact C-N 3.34Å; G415-A417 PolarHBondContact O-N 3.43Å
418	V	98.3	Very high	97.5	Very high	64 Å²	64	28 Å²	28	39%	0.388	15%	0.151	S	C	.	.	H	α-helix	trans	-98.9	4.4	-174.4	-50.9	0	0	0	0	114.8	I372 R398 I400 G415 A416	I372-V418 HydrophobicContact CD1-CG2 4.13Å; R398-V418 PolarHBondContact NH2-O 3.38Å; I400-V418 HydrophobicContact CD1-CG2 3.32Å; G415-V418 PolarHBondContact O-N 2.71Å; A416-V418 PolarHBondContact O-N 3.17Å
419	A	98.6	Very high	97.7	Very high	5 Å²	5	26.4 Å²	26.4	4%	0.041	14%	0.143	C	C	.	.			trans	-64.2	141.1	174.9	0	0	0	0	0	112.7	T339 I372 G415 L424 K519	T339-A419 HydrophobicContact CG2-CB 3.63Å; I372-A419 HydrophobicContact CD1-CB 4.21Å; G415-A419 PolarHBondContact O-N 3.3Å; G415-A419 VanDerWaalsContact O-N 3.14Å; A419-L424 HydrophobicContact CB-CD2 3.53Å; A419-K519 PolarHBondContact O-NZ 3.06Å
420	K	98.5	Very high	97.9	Very high	139 Å²	139	27.2 Å²	27.2	60%	0.604	15%	0.147	S	C	*	.			trans	-107.2	-6	-177.8	-61.2	167.5	-173.5	169.3	0	114.9	T339 K369 E370	T339-K420 PolarHBondContact OG1-N 2.57Å; K369-K420 HydrophobicContact CG-CB 4.31Å; E370-K420 VanDerWaalsContact OE1-CB 3.3Å; E370-K420 WeakPolarHBondContact OE1-CB 3.32Å; E370-K420 VanDerWaalsContact OE1-CG 3.29Å; E370-K420 WeakPolarHBondContact OE1-CG 3.09Å; E370-K420 PolarHBondContact OE1-N 2.76Å
421	G	98.3	Very high	98.1	Very high	5 Å²	5	24.2 Å²	24.2	5%	0.052	14%	0.135	C	C	.	.	S	Bend	trans	-73.8	161.6	172	0	0	0	0	0	112.5	T337 T339	T337-G421 CarbonylContact O-C 3.07Å; T339-G421 PolarHBondContact OG1-N 3.33Å
422	E	98.8	Very high	98.2	Very high	107 Å²	107	24.3 Å²	24.3	50%	0.5	14%	0.136	S	C	.	.	S	Bend	trans	-77.4	-33.8	170.6	-65.8	150.4	-75.6	0	0	110.9	P336 T337 K519	P336-E422 HydrophobicContact CB-CB 4.1Å; T337-E422 WeakPolarHBondContact CB-OE1 3.49Å; T337-E422 PolarHBondContact N-OE1 3.15Å; T337-E422 PolarHBondContact O-N 3.4Å; T337-E422 PolarHBondContact OG1-OE1 3.46Å; E422-K519 WeakPolarHBondContact O-CB 3.31Å; E422-K519 PolarHBondContact O-N 3.31Å
423	V	98.9	Very high	98.3	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.012	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	145.6	172.6	179.6	0	0	0	0	110.1	P336 T337 T338 T339 L442 V445 I517	P336-V423 HydrophobicContact CB-CG2 3.96Å; P336-V423 HydrophobicContact CG-CG2 3.67Å; T337-V423 PolarHBondContact O-N 2.94Å; T338-V423 WeakPolarHBondContact CA-O 3.4Å; T338-V423 PolarHBondContact OG1-O 3.09Å; T339-V423 PolarHBondContact N-O 3.21Å; V423-L442 HydrophobicContact CB-CD2 3.93Å; V423-L442 HydrophobicContact CG1-CD2 3.74Å; V423-L442 HydrophobicContact CG2-CD2 3.95Å; V423-V445 HydrophobicContact CG2-CB 4.32Å; V423-V445 HydrophobicContact CG2-CG1 3.93Å; V423-I517 WeakPolarHBondContact CA-O 3.38Å; V423-I517 WeakPolarHBondContact CG1-O 3.41Å
424	L	98.9	Very high	98.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	123	165.2	-54.3	178.9	0	0	0	108.2	I341 A416 A419 F426 S516 I517 K519 F522	I341-L424 HydrophobicContact CD1-CD2 4.13Å; A416-L424 HydrophobicContact CB-CD1 3.68Å; A419-L424 HydrophobicContact CB-CD2 3.53Å; L424-F426 HydrophobicContact CB-CE2 3.87Å; L424-F426 HydrophobicContact CB-CZ 4.22Å; L424-F426 HydrophobicContact CD1-CE2 4.24Å; L424-F426 HydrophobicContact CD1-CZ 4.08Å; L424-S516 CarbonylContact O-C 3.59Å; L424-S516 VanDerWaalsContact O-CA 3.25Å; L424-S516 WeakPolarHBondContact O-CA 3.48Å; L424-I517 HydrophobicContact CB-CG2 4.1Å; L424-I517 PolarHBondContact N-O 3.14Å; L424-I517 PolarHBondContact O-N 3.38Å; L424-K519 HydrophobicContact CD1-CB 4.44Å; L424-K519 HydrophobicContact CD1-CG 4.2Å; L424-K519 HydrophobicContact CD2-CB 4.16Å; L424-K519 HydrophobicContact CD2-CD 4.12Å; L424-K519 HydrophobicContact CD2-CG 3.96Å; L424-K519 HydrophobicContact CG-CB 3.95Å; L424-K519 HydrophobicContact CG-CG 4.05Å; L424-F522 HydrophobicContact CD1-CB 4.2Å; L424-F522 HydrophobicContact CD1-CD1 3.58Å; L424-F522 HydrophobicContact CD1-CE1 4.12Å; L424-F522 HydrophobicContact CD1-CG 3.99Å
425	T	98.9	Very high	98.2	Very high	1 Å²	1	22 Å²	22	1%	0.006	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	105.5	173.6	-62.2	0	0	0	0	109.1	T338 T339 V340 I341 L427 W437 F515 S516	T338-T425 WeakPolarHBondContact OG1-CB 3.39Å; T338-T425 PolarHBondContact OG1-OG1 3.2Å; T339-T425 PolarHBondContact O-N 2.96Å; V340-T425 CarbonylContact C-O 3.55Å; V340-T425 VanDerWaalsContact CA-O 3.27Å; V340-T425 WeakPolarHBondContact CA-O 3.46Å; V340-T425 HydrophobicContact CG2-CG2 4.32Å; I341-T425 PolarHBondContact N-O 3.15Å; T425-L427 HydrophobicContact CG2-CG 4.45Å; T425-W437 HydrophobicContact CG2-CH2 3.82Å; T425-W437 HydrophobicContact CG2-CZ3 3.94Å; T425-F515 CarbonylContact C-O 3.48Å; T425-F515 WeakPolarHBondContact CA-O 2.95Å; T425-S516 WeakPolarHBondContact CB-OG 3.49Å; T425-S516 WeakPolarHBondContact CG2-OG 3.22Å; T425-S516 PolarHBondContact OG1-OG 3.05Å
426	F	98.8	Very high	98.1	Very high	1 Å²	1	22 Å²	22	0%	0.004	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	137.4	178.3	-63.2	-82.4	0	0	0	110.5	I341 R412 A416 L424 L514 F515 I517 F522	I341-F426 HydrophobicContact CB-CD1 3.89Å; I341-F426 HydrophobicContact CB-CE1 4.14Å; I341-F426 HydrophobicContact CD1-CD1 4.23Å; I341-F426 HydrophobicContact CD1-CE1 3.65Å; I341-F426 HydrophobicContact CD1-CZ 4.1Å; I341-F426 HydrophobicContact CG1-CE1 4.47Å; I341-F426 HydrophobicContact CG2-CD1 4.08Å; I341-F426 HydrophobicContact CG2-CE1 4.17Å; R412-F426 HydrophobicContact CB-CD1 4.18Å; R412-F426 HydrophobicContact CB-CE1 3.73Å; R412-F426 HydrophobicContact CG-CD1 3.81Å; R412-F426 HydrophobicContact CG-CE1 3.91Å; A416-F426 HydrophobicContact CB-CZ 4.26Å; L424-F426 HydrophobicContact CB-CE2 3.87Å; L424-F426 HydrophobicContact CB-CZ 4.22Å; L424-F426 HydrophobicContact CD1-CE2 4.24Å; L424-F426 HydrophobicContact CD1-CZ 4.08Å; F426-L514 WeakPolarHBondContact O-CA 3.14Å; F426-F515 HydrophobicContact CB-CD1 4.2Å; F426-F515 HydrophobicContact CB-CE1 3.97Å; F426-F515 HydrophobicContact CB-CZ 4.47Å; F426-F515 HydrophobicContact CD2-CD1 4.29Å; F426-F515 HydrophobicContact CD2-CD2 4.23Å; F426-F515 AromaticContact CD2-CE1 3.65Å; F426-F515 HydrophobicContact CD2-CE1 3.65Å; F426-F515 AromaticContact CD2-CE2 3.6Å; F426-F515 HydrophobicContact CD2-CE2 3.6Å; F426-F515 AromaticContact CD2-CZ 3.27Å; F426-F515 HydrophobicContact CD2-CZ 3.27Å; F426-F515 HydrophobicContact CE2-CE1 4.45Å; F426-F515 AromaticContact CE2-CE2 3.92Å; F426-F515 HydrophobicContact CE2-CE2 3.92Å; F426-F515 AromaticContact CE2-CZ 3.68Å; F426-F515 HydrophobicContact CE2-CZ 3.68Å; F426-F515 HydrophobicContact CG-CE1 4.04Å; F426-F515 HydrophobicContact CG-CZ 4.08Å; F426-F515 PolarHBondContact N-O 3.23Å; F426-F515 PolarHBondContact O-N 3.42Å; F426-I517 HydrophobicContact CE2-CG2 4.31Å; F426-F522 HydrophobicContact CE2-CE2 4.45Å; F426-F522 HydrophobicContact CZ-CE1 4.46Å; F426-F522 HydrophobicContact CZ-CZ 4.17Å
427	L	98.7	Very high	98.1	Very high	4 Å²	4	22 Å²	22	2%	0.021	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	148.4	175.2	-66.1	178.3	0	0	0	110.6	V340 I341 F342 V359 T425 I431 W437 L514	V340-L427 HydrophobicContact CG1-CD1 3.74Å; V340-L427 HydrophobicContact CG1-CG 4.26Å; I341-L427 PolarHBondContact O-N 2.9Å; F342-L427 HydrophobicContact CD1-CB 3.79Å; F342-L427 HydrophobicContact CE1-CB 3.48Å; F342-L427 VanDerWaalsContact CE1-CB 3.48Å; F342-L427 HydrophobicContact CE1-CD1 3.94Å; F342-L427 HydrophobicContact CE1-CG 4.38Å; F342-L427 HydrophobicContact CZ-CB 4.13Å; F342-L427 HydrophobicContact CZ-CD1 3.77Å; V359-L427 HydrophobicContact CG2-CD1 3.62Å; T425-L427 HydrophobicContact CG2-CG 4.45Å; L427-I431 HydrophobicContact CB-CG1 4.39Å; L427-I431 HydrophobicContact CD1-CD1 4.03Å; L427-I431 HydrophobicContact CD1-CG1 4.47Å; L427-W437 HydrophobicContact CD1-CH2 3.88Å; L427-W437 HydrophobicContact CD1-CZ3 4.3Å; L427-W437 HydrophobicContact CD2-CZ3 4.19Å; L427-L514 HydrophobicContact CD2-CB 4.18Å; L427-L514 HydrophobicContact CD2-CD2 3.71Å; L427-L514 HydrophobicContact CD2-CG 3.7Å
428	D	97.6	Very high	98.1	Very high	27 Å²	27	19.1 Å²	19.1	14%	0.144	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	152.3	170.3	-69.6	-11.7	0	0	0	111	F342 R412 H430 I431 H563	F342-D428 WeakPolarHBondContact CD1-O 3.49Å; F342-D428 WeakPolarHBondContact CE1-O 3.48Å; R412-D428 IonicContact NH2-OD1 2.74Å; D428-H430 PolarHBondContact O-N 3.07Å; D428-I431 HydrophobicContact CB-CG2 4.23Å; D428-I431 VanDerWaalsContact O-CG1 3.23Å; D428-I431 WeakPolarHBondContact O-CG1 2.98Å; D428-I431 WeakPolarHBondContact O-CG2 3.35Å; D428-H563 IonicContact OD2-CD2 2.73Å; D428-H563 IonicContact OD2-CE1 2.69Å; D428-H563 IonicContact OD2-NE2 3.78Å; D428-H563 PolarHBondContact OD2-NE2 2.93Å
429	S	97	Very high	98.1	Very high	3 Å²	3	16.1 Å²	16.1	2%	0.021	8%	0.078	C	C	.	.	S	Bend	trans	-78.3	20.9	-173	49.1	0	0	0	0	115.9	C343 E347 T351 L352 S355	C343-S429 PolarHBondContact O-OG 3.32Å; E347-S429 PolarHBondContact OE2-OG 2.76Å; T351-S429 CarbonylContact C-O 3.58Å; L352-S429 WeakPolarHBondContact CA-O 3.45Å; L352-S429 PolarHBondContact N-O 3.11Å; S355-S429 VanDerWaalsContact OG-C 3.23Å; S355-S429 PolarHBondContact OG-O 2.75Å
430	H	97.7	Very high	98.1	Very high	18 Å²	18	16.2 Å²	16.2	8%	0.083	8%	0.079	C	C	.	.	S	Bend	trans	-147.8	57	-177.6	43.8	-91.1	0	0	0	111.1	E347 S355 D428 H563 I564 R566	E347-H430 IonicContact OE2-CE1 3.96Å; E347-H430 IonicContact OE2-CG 2.67Å; E347-H430 IonicContact OE2-ND1 3.97Å; E347-H430 PolarHBondContact OE2-ND1 3.29Å; S355-H430 WeakPolarHBondContact OG-CA 3.44Å; S355-H430 PolarHBondContact OG-N 2.96Å; D428-H430 PolarHBondContact O-N 3.07Å; H430-H563 AromaticContact CD2-CE1 3.58Å; H430-H563 AromaticContact CD2-NE2 3.55Å; H430-H563 AromaticContact NE2-CE1 3.36Å; H430-H563 PolarHBondContact NE2-CE1 2.76Å; H430-H563 AromaticContact NE2-NE2 3.27Å; H430-H563 PolarHBondContact NE2-NE2 2.76Å; H430-I564 HydrophobicContact CB-CB 4.35Å; H430-I564 HydrophobicContact CB-CD1 4.19Å; H430-I564 HydrophobicContact CB-CG1 4.46Å; H430-I564 PolarHBondContact O-N 3.04Å; H430-I564 VanDerWaalsContact O-N 3.11Å; H430-R566 PolarHBondContact ND1-NH2 3.25Å; H430-R566 VanDerWaalsContact ND1-NH2 3.13Å
431	I	98.5	Very high	98.1	Very high	2 Å²	2	9.7 Å²	9.7	1%	0.01	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	163.6	-174.7	61.8	82.6	0	0	0	112.9	F342 S355 L427 D428 L514 V561 G562 H563	F342-I431 HydrophobicContact CE1-CD1 4.07Å; F342-I431 HydrophobicContact CE1-CG1 3.85Å; F342-I431 HydrophobicContact CZ-CD1 4.21Å; F342-I431 HydrophobicContact CZ-CG1 4.49Å; S355-I431 WeakPolarHBondContact CA-O 3.22Å; S355-I431 PolarHBondContact OG-N 2.78Å; S355-I431 PolarHBondContact OG-O 3.37Å; L427-I431 HydrophobicContact CB-CG1 4.39Å; L427-I431 HydrophobicContact CD1-CD1 4.03Å; L427-I431 HydrophobicContact CD1-CG1 4.47Å; D428-I431 HydrophobicContact CB-CG2 4.23Å; D428-I431 VanDerWaalsContact O-CG1 3.23Å; D428-I431 WeakPolarHBondContact O-CG1 2.98Å; D428-I431 WeakPolarHBondContact O-CG2 3.35Å; I431-L514 HydrophobicContact CG2-CD1 4.34Å; I431-L514 HydrophobicContact CG2-CD2 4.27Å; I431-V561 HydrophobicContact CB-CG1 3.85Å; I431-V561 HydrophobicContact CD1-CG1 4.11Å; I431-V561 HydrophobicContact CG1-CG1 4.33Å; I431-V561 HydrophobicContact CG2-CG1 4.38Å; I431-G562 CarbonylContact C-O 3.59Å; I431-G562 WeakPolarHBondContact CA-O 3.45Å; I431-G562 VanDerWaalsContact CB-O 3.25Å; I431-G562 WeakPolarHBondContact CB-O 3.46Å; I431-H563 HydrophobicContact CG2-CB 4.35Å
432	E	98.7	Very high	98.1	Very high	3 Å²	3	9.4 Å²	9.4	1%	0.014	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	111.7	166.8	-64.8	-179.2	-125.1	0	0	110	R316 V318 R354 I460 Y467 G562	R316-E432 WeakPolarHBondContact CG-OE2 3.4Å; R316-E432 IonicContact CZ-OE1 3.7Å; R316-E432 VanDerWaalsContact CZ-OE1 3.28Å; R316-E432 IonicContact CZ-OE2 2.81Å; R316-E432 VanDerWaalsContact NE-CD 3.35Å; R316-E432 IonicContact NE-OE1 3.39Å; R316-E432 PolarHBondContact NE-OE1 3.25Å; R316-E432 IonicContact NE-OE2 3.21Å; R316-E432 PolarHBondContact NE-OE2 3.18Å; R316-E432 IonicContact NH2-OE1 2.8Å; R316-E432 PolarHBondContact NH2-OE1 3.39Å; R316-E432 IonicContact NH2-OE2 2.7Å; V318-E432 HydrophobicContact CG1-CB 4.1Å; V318-E432 WeakPolarHBondContact CG1-OE2 3.31Å; R354-E432 WeakPolarHBondContact CD-OE1 3.22Å; R354-E432 HydrophobicContact CG-CG 3.97Å; E432-I460 HydrophobicContact CB-CD1 3.94Å; E432-I460 HydrophobicContact CG-CD1 3.87Å; E432-Y467 HydrophobicContact CB-CE2 4.27Å; E432-G562 PolarHBondContact N-O 2.88Å; E432-G562 PolarHBondContact O-N 2.94Å
433	C	98.5	Very high	98.1	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	144.1	174.3	-62	0	0	0	0	111.2	S358 R362 W437	S358-C433 PolarHBondContact OG-N 2.84Å; S358-C433 PolarHBondContact OG-O 3.19Å; R362-C433 WeakPolarHBondContact CD-O 3.11Å; R362-C433 PolarHBondContact NH1-O 3.48Å; C433-W437 HydrophobicContact CB-CD2 3.94Å; C433-W437 HydrophobicContact CB-CG 3.77Å; C433-W437 VanDerWaalsContact SG-CE2 3.54Å
434	N	97.4	Very high	98.1	Very high	1 Å²	1	7.6 Å²	7.6	1%	0.005	4%	0.037	C	C	.	.	P	Polyproline II helix	trans	-87.4	173.6	168.9	-144.1	-29.6	0	0	0	111.6	P319 T321 W437 R560	P319-N434 PolarHBondContact O-ND2 3.35Å; P319-N434 PolarHBondContact O-OD1 3.37Å; T321-N434 PolarHBondContact N-ND2 3.4Å; T321-N434 PolarHBondContact OG1-ND2 3.13Å; N434-W437 WeakPolarHBondContact O-CB 3.28Å; N434-R560 HydrophobicContact CB-CB 4.05Å; N434-R560 VanDerWaalsContact CB-O 3.31Å; N434-R560 WeakPolarHBondContact CB-O 3.37Å; N434-R560 PolarHBondContact N-O 3.1Å
435	V	95.8	Very high	98.1	Very high	20 Å²	20	8 Å²	8	12%	0.121	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	139.2	175.5	-74.6	0	0	0	0	111.4	D267 D320 R322 W437	D267-V435 HydrophobicContact CB-CG1 4.01Å; D320-V435 HydrophobicContact CB-CG2 3.94Å; D320-V435 VanDerWaalsContact CG-CG2 3.47Å; D320-V435 VanDerWaalsContact OD2-CG2 3.32Å; D320-V435 WeakPolarHBondContact OD2-CG2 3.42Å; R322-V435 WeakPolarHBondContact CD-O 3.47Å; R322-V435 VanDerWaalsContact CZ-O 3.24Å; R322-V435 PolarHBondContact NE-O 2.9Å; R322-V435 PolarHBondContact NH1-O 2.87Å; R322-V435 VanDerWaalsContact NH1-O 3.16Å; V435-W437 PolarHBondContact O-N 2.69Å
436	G	96.1	Very high	98.1	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	28.5	-179.6	0	0	0	0	0	114.4	V263 L264 L438 P440	V263-G436 WeakPolarHBondContact CG1-O 3.24Å; L264-G436 VanDerWaalsContact O-CA 3.28Å; L264-G436 WeakPolarHBondContact O-CA 3.46Å; L264-G436 PolarHBondContact O-N 3.17Å; G436-L438 VanDerWaalsContact C-N 3.32Å; G436-P440 WeakPolarHBondContact O-CD 3.29Å; G436-P440 WeakPolarHBondContact O-CG 3.3Å
437	W	98.3	Very high	98	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.073	C	C	.	.			trans	-69.1	-28.7	-179.3	75.8	-72.3	0	0	0	113.1	V340 V359 R362 S363 T425 L427 C433 N434 V435 L441 S559 V561	V340-W437 HydrophobicContact CG2-CH2 4.44Å; V359-W437 HydrophobicContact CG1-CZ2 4.35Å; V359-W437 HydrophobicContact CG2-CZ2 4.17Å; R362-W437 PolarHBondContact O-NE1 3.48Å; S363-W437 PolarHBondContact OG-NE1 3.02Å; S363-W437 VanDerWaalsContact OG-NE1 3.13Å; T425-W437 HydrophobicContact CG2-CH2 3.82Å; T425-W437 HydrophobicContact CG2-CZ3 3.94Å; L427-W437 HydrophobicContact CD1-CH2 3.88Å; L427-W437 HydrophobicContact CD1-CZ3 4.3Å; L427-W437 HydrophobicContact CD2-CZ3 4.19Å; C433-W437 HydrophobicContact CB-CD2 3.94Å; C433-W437 HydrophobicContact CB-CG 3.77Å; C433-W437 VanDerWaalsContact SG-CE2 3.54Å; N434-W437 WeakPolarHBondContact O-CB 3.28Å; V435-W437 PolarHBondContact O-N 2.69Å; W437-L441 HydrophobicContact CE3-CD1 4Å; W437-L441 HydrophobicContact CZ3-CD1 4.03Å; W437-S559 VanDerWaalsContact O-CB 3.26Å; W437-S559 WeakPolarHBondContact O-CB 3.45Å; W437-S559 PolarHBondContact O-OG 3.43Å; W437-V561 HydrophobicContact CB-CG2 4.47Å; W437-V561 HydrophobicContact CD2-CG2 4.28Å; W437-V561 HydrophobicContact CE3-CG2 3.68Å; W437-V561 HydrophobicContact CZ3-CG2 4.35Å
438	L	98.6	Very high	98	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	-88.8	-48.9	-164.8	-176.2	57.7	0	0	0	113.5	T338 L367 G436 P440 L441 L442	T338-L438 HydrophobicContact CG2-CD1 4.05Å; T338-L438 HydrophobicContact CG2-CD2 3.93Å; L367-L438 HydrophobicContact CB-CD2 4.33Å; G436-L438 VanDerWaalsContact C-N 3.32Å; L438-P440 VanDerWaalsContact C-CD 3.5Å; L438-L441 WeakPolarHBondContact O-CB 3.44Å; L438-L441 PolarHBondContact O-N 2.9Å; L438-L442 HydrophobicContact CD1-CD1 3.89Å; L438-L442 HydrophobicContact CD1-CD2 4.27Å; L438-L442 HydrophobicContact CD1-CG 3.9Å; L438-L442 HydrophobicContact CD2-CD1 4.08Å; L438-L442 HydrophobicContact CG-CD1 3.66Å; L438-L442 HydrophobicContact CG-CG 4.1Å; L438-L442 PolarHBondContact O-N 2.85Å; L438-L442 VanDerWaalsContact O-N 3.14Å
439	E	98.1	Very high	98	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-57	-41.7	-177.3	-55.7	108.7	98.2	0	0	113.7	L264 V331 L335 P364 L367 L441 L442 E443	L264-E439 WeakPolarHBondContact CB-OE1 3.48Å; L264-E439 WeakPolarHBondContact CG-OE1 3.37Å; L264-E439 PolarHBondContact N-OE1 3.07Å; V331-E439 HydrophobicContact CB-CB 4.45Å; V331-E439 HydrophobicContact CG1-CB 4.2Å; V331-E439 HydrophobicContact CG2-CB 4.02Å; V331-E439 HydrophobicContact CG2-CG 4.49Å; L335-E439 HydrophobicContact CD1-CB 3.8Å; L335-E439 HydrophobicContact CD1-CG 4.02Å; P364-E439 HydrophobicContact CG-CG 3.96Å; P364-E439 WeakPolarHBondContact CG-OE2 3.3Å; L367-E439 HydrophobicContact CD1-CG 3.72Å; E439-L441 PolarHBondContact O-N 3.16Å; E439-L441 VanDerWaalsContact O-N 3.14Å; E439-L442 PolarHBondContact O-N 2.78Å; E439-L442 VanDerWaalsContact O-N 3.16Å; E439-E443 VanDerWaalsContact O-CB 3.3Å; E439-E443 WeakPolarHBondContact O-CB 3.43Å; E439-E443 PolarHBondContact O-N 3.24Å
440	P	98.3	Very high	98.1	Very high	8 Å²	8	24.4 Å²	24.4	5%	0.052	11%	0.112	C	C	.	.	H	α-helix	trans	-63.5	-19.6	177.6	-22.4	34.4	0	0	0	114.4	V263 G436 L438 R444 I556 C558	V263-P440 HydrophobicContact CG1-CG 4.06Å; V263-P440 HydrophobicContact CG2-CG 4.06Å; G436-P440 WeakPolarHBondContact O-CD 3.29Å; G436-P440 WeakPolarHBondContact O-CG 3.3Å; L438-P440 VanDerWaalsContact C-CD 3.5Å; P440-R444 WeakPolarHBondContact O-CG 3.43Å; P440-I556 HydrophobicContact CB-CG2 3.83Å; P440-C558 HydrophobicContact CB-CB 4.31Å; P440-C558 HydrophobicContact CG-CB 4.28Å
441	L	98.8	Very high	98.1	Very high	1 Å²	1	25 Å²	25	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-80.8	-52.2	170.8	-58.6	174.9	0	0	0	109.8	W437 L438 E439 E443 R444 P453 I556 S559	W437-L441 HydrophobicContact CE3-CD1 4Å; W437-L441 HydrophobicContact CZ3-CD1 4.03Å; L438-L441 WeakPolarHBondContact O-CB 3.44Å; L438-L441 PolarHBondContact O-N 2.9Å; E439-L441 PolarHBondContact O-N 3.16Å; E439-L441 VanDerWaalsContact O-N 3.14Å; L441-E443 VanDerWaalsContact C-N 3.26Å; L441-E443 PolarHBondContact O-N 2.77Å; L441-R444 PolarHBondContact O-N 3.15Å; L441-P453 HydrophobicContact CB-CB 4.47Å; L441-P453 HydrophobicContact CB-CG 4.17Å; L441-P453 HydrophobicContact CD2-CB 3.86Å; L441-P453 HydrophobicContact CD2-CG 4.38Å; L441-P453 WeakPolarHBondContact O-CG 3.47Å; L441-I556 HydrophobicContact CD2-CB 4.26Å; L441-I556 HydrophobicContact CD2-CG1 4.1Å; L441-S559 WeakPolarHBondContact CD1-OG 3.33Å; L441-S559 WeakPolarHBondContact CD2-OG 3.35Å; L441-S559 VanDerWaalsContact CG-OG 3.32Å; L441-S559 WeakPolarHBondContact CG-OG 3.48Å
442	L	98.8	Very high	98.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62.9	-32.8	-176	-59.7	178.1	0	0	0	112.5	L335 T338 L367 V423 L438 E439 R444 V445 Y446	L335-L442 HydrophobicContact CB-CB 4.41Å; L335-L442 HydrophobicContact CD1-CB 4.31Å; L335-L442 HydrophobicContact CD2-CB 4.32Å; T338-L442 HydrophobicContact CG2-CD1 4.37Å; T338-L442 HydrophobicContact CG2-CD2 4.46Å; L367-L442 HydrophobicContact CB-CD1 3.91Å; L367-L442 HydrophobicContact CD1-CD1 3.92Å; L367-L442 HydrophobicContact CG-CD1 4.34Å; V423-L442 HydrophobicContact CB-CD2 3.93Å; V423-L442 HydrophobicContact CG1-CD2 3.74Å; V423-L442 HydrophobicContact CG2-CD2 3.95Å; L438-L442 HydrophobicContact CD1-CD1 3.89Å; L438-L442 HydrophobicContact CD1-CD2 4.27Å; L438-L442 HydrophobicContact CD1-CG 3.9Å; L438-L442 HydrophobicContact CD2-CD1 4.08Å; L438-L442 HydrophobicContact CG-CD1 3.66Å; L438-L442 HydrophobicContact CG-CG 4.1Å; L438-L442 PolarHBondContact O-N 2.85Å; L438-L442 VanDerWaalsContact O-N 3.14Å; E439-L442 PolarHBondContact O-N 2.78Å; E439-L442 VanDerWaalsContact O-N 3.16Å; L442-R444 VanDerWaalsContact C-N 3.26Å; L442-R444 PolarHBondContact O-N 2.92Å; L442-V445 PolarHBondContact O-N 2.8Å; L442-Y446 WeakPolarHBondContact O-CB 3.15Å; L442-Y446 PolarHBondContact O-N 2.81Å
443	E	98.3	Very high	98.2	Very high	23 Å²	23	24.7 Å²	24.7	11%	0.107	11%	0.113	C	C	.	.	H	α-helix	trans	-54.3	-38.9	172	176.8	64.4	-155.7	0	0	112.5	V331 H332 L335 E439 L441 Y446 L447	V331-E443 WeakPolarHBondContact CA-OE2 3.45Å; V331-E443 HydrophobicContact CG1-CB 3.97Å; V331-E443 HydrophobicContact CG1-CG 4.07Å; H332-E443 IonicContact CE1-OE1 3.8Å; H332-E443 PolarHBondContact CE1-OE1 2.82Å; H332-E443 IonicContact CE1-OE2 2.69Å; H332-E443 IonicContact CG-OE2 3.95Å; H332-E443 PolarHBondContact N-OE2 3.25Å; H332-E443 VanDerWaalsContact ND1-CD 3.25Å; H332-E443 IonicContact ND1-OE1 2.76Å; H332-E443 PolarHBondContact ND1-OE1 3.09Å; H332-E443 IonicContact ND1-OE2 3.3Å; H332-E443 PolarHBondContact ND1-OE2 3.49Å; L335-E443 HydrophobicContact CD2-CB 4.18Å; E439-E443 VanDerWaalsContact O-CB 3.3Å; E439-E443 WeakPolarHBondContact O-CB 3.43Å; E439-E443 PolarHBondContact O-N 3.24Å; L441-E443 VanDerWaalsContact C-N 3.26Å; L441-E443 PolarHBondContact O-N 2.77Å; E443-Y446 PolarHBondContact O-N 2.98Å; E443-L447 HydrophobicContact CG-CD1 4.14Å; E443-L447 WeakPolarHBondContact O-CB 3.48Å; E443-L447 VanDerWaalsContact O-CG 3.24Å; E443-L447 WeakPolarHBondContact O-CG 3.48Å; E443-L447 PolarHBondContact O-N 2.94Å; E443-L447 WeakPolarHBondContact OE1-CD1 3.5Å
444	R	98.4	Very high	98.2	Very high	48 Å²	48	25.1 Å²	25.1	18%	0.181	12%	0.116	C	C	.	.	H	α-helix	trans	-72.3	-39	-179.1	-48.4	-55.3	-63.9	157.4	-0.5	111.8	P440 L441 L442 Y446 L447 D448 K451 P453 E554 I556	P440-R444 WeakPolarHBondContact O-CG 3.43Å; L441-R444 PolarHBondContact O-N 3.15Å; L442-R444 VanDerWaalsContact C-N 3.26Å; L442-R444 PolarHBondContact O-N 2.92Å; R444-Y446 VanDerWaalsContact C-N 3.34Å; R444-L447 PolarHBondContact O-N 3.46Å; R444-D448 PolarHBondContact O-N 3.01Å; R444-D448 VanDerWaalsContact O-O 3.07Å; R444-K451 HydrophobicContact CB-CB 4.38Å; R444-P453 HydrophobicContact CB-CB 4.08Å; R444-P453 HydrophobicContact CB-CG 4.04Å; R444-P453 HydrophobicContact CG-CB 4.08Å; R444-P453 HydrophobicContact CG-CG 4.48Å; R444-E554 IonicContact CZ-OE1 2.87Å; R444-E554 IonicContact CZ-OE2 3.51Å; R444-E554 VanDerWaalsContact CZ-OE2 3.31Å; R444-E554 IonicContact NE-OE1 2.72Å; R444-E554 IonicContact NE-OE2 3.04Å; R444-E554 PolarHBondContact NE-OE2 3.29Å; R444-E554 VanDerWaalsContact NH2-CD 3.33Å; R444-E554 IonicContact NH2-OE1 3.28Å; R444-E554 PolarHBondContact NH2-OE1 3.2Å; R444-E554 IonicContact NH2-OE2 2.88Å; R444-E554 PolarHBondContact NH2-OE2 2.79Å; R444-I556 HydrophobicContact CG-CD1 3.67Å; R444-I556 HydrophobicContact CG-CG1 4.07Å
445	V	98.8	Very high	98.2	Very high	9 Å²	9	25.1 Å²	25.1	6%	0.055	12%	0.116	C	C	.	.	H	α-helix	trans	-72.4	-29.8	176.5	-167.3	0	0	0	0	111.3	V423 L442 D448 R449 P453 D518	V423-V445 HydrophobicContact CG2-CB 4.32Å; V423-V445 HydrophobicContact CG2-CG1 3.93Å; L442-V445 PolarHBondContact O-N 2.8Å; V445-D448 CarbonylContact O-C 3.58Å; V445-R449 WeakPolarHBondContact O-CA 3.09Å; V445-R449 PolarHBondContact O-N 3.09Å; V445-P453 HydrophobicContact CG2-CG 3.82Å; V445-D518 HydrophobicContact CG1-CB 3.87Å
446	Y	98.3	Very high	98.3	Very high	64 Å²	64	25 Å²	25	25%	0.251	12%	0.115	S	C	.	.	H	α-helix	trans	-66.6	-48.4	170.8	176.6	-85.6	0	0	0	111.4	H332 D334 L335 L442 E443 R444	H332-Y446 HydrophobicContact CB-CD1 4.2Å; H332-Y446 HydrophobicContact CB-CE1 4.06Å; H332-Y446 AromaticContact CD2-CD1 3.94Å; H332-Y446 AromaticContact CD2-CE1 3.16Å; H332-Y446 WeakPolarHBondContact CD2-CE1 3.28Å; H332-Y446 AromaticContact CD2-CZ 3.59Å; H332-Y446 AromaticContact CE1-CE1 3.8Å; H332-Y446 AromaticContact CG-CD1 3.71Å; H332-Y446 AromaticContact CG-CE1 3.4Å; H332-Y446 AromaticContact CG-CZ 3.93Å; H332-Y446 AromaticContact ND1-CD1 3.77Å; H332-Y446 AromaticContact ND1-CE1 3.77Å; H332-Y446 AromaticContact NE2-CE1 3.46Å; H332-Y446 WeakPolarHBondContact NE2-CE1 3.4Å; D334-Y446 PolarHBondContact OD1-OH 3.43Å; L335-Y446 HydrophobicContact CD2-CG 4.26Å; L442-Y446 WeakPolarHBondContact O-CB 3.15Å; L442-Y446 PolarHBondContact O-N 2.81Å; E443-Y446 PolarHBondContact O-N 2.98Å; R444-Y446 VanDerWaalsContact C-N 3.34Å
447	L	97.7	Very high	98.4	Very high	90 Å²	90	25.7 Å²	25.7	47%	0.471	12%	0.119	S	C	.	.	H	α-helix	trans	-66	-40	180	-72.4	170	0	0	0	113	E443 R444	E443-L447 HydrophobicContact CG-CD1 4.14Å; E443-L447 WeakPolarHBondContact O-CB 3.48Å; E443-L447 VanDerWaalsContact O-CG 3.24Å; E443-L447 WeakPolarHBondContact O-CG 3.48Å; E443-L447 PolarHBondContact O-N 2.94Å; E443-L447 WeakPolarHBondContact OE1-CD1 3.5Å; R444-L447 PolarHBondContact O-N 3.46Å
448	D	98.4	Very high	98.4	Very high	68 Å²	68	25.7 Å²	25.7	36%	0.364	12%	0.119	S	C	.	.			trans	-150.8	117.5	167.7	175.1	8.6	0	0	0	109.8	R444 V445 K450 K451	R444-D448 PolarHBondContact O-N 3.01Å; R444-D448 VanDerWaalsContact O-O 3.07Å; V445-D448 CarbonylContact O-C 3.58Å; D448-K450 PolarHBondContact O-N 3.39Å; D448-K450 WeakPolarHBondContact OD1-CB 3.39Å; D448-K450 PolarHBondContact OD1-N 3.45Å; D448-K451 HydrophobicContact CB-CD 4.03Å; D448-K451 HydrophobicContact CB-CG 4.08Å; D448-K451 WeakPolarHBondContact O-CB 3.42Å; D448-K451 PolarHBondContact O-N 3.19Å
449	R	98.2	Very high	98.3	Very high	92 Å²	92	27.7 Å²	27.7	35%	0.347	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-18.9	179.7	79.2	-176.7	-168.9	96	1	114.1	V445 D518 E524	V445-R449 WeakPolarHBondContact O-CA 3.09Å; V445-R449 PolarHBondContact O-N 3.09Å; R449-D518 HydrophobicContact CB-CB 3.88Å; R449-D518 WeakPolarHBondContact CD-OD1 3.35Å; R449-D518 IonicContact CZ-OD1 3.82Å; R449-D518 IonicContact NH1-OD1 3.66Å; R449-D518 PolarHBondContact NH1-OD1 2.81Å; R449-D518 WeakPolarHBondContact O-CB 3.21Å; R449-E524 IonicContact CZ-OE1 3.67Å; R449-E524 IonicContact CZ-OE2 3.2Å; R449-E524 IonicContact NH1-OE1 2.73Å; R449-E524 PolarHBondContact NH1-OE1 3.41Å; R449-E524 IonicContact NH1-OE2 3.57Å; R449-E524 VanDerWaalsContact NH2-CD 3.32Å; R449-E524 IonicContact NH2-OE1 3.52Å; R449-E524 PolarHBondContact NH2-OE1 2.81Å; R449-E524 VanDerWaalsContact NH2-OE1 3.11Å; R449-E524 IonicContact NH2-OE2 2.74Å; R449-E524 PolarHBondContact NH2-OE2 3.29Å
450	K	98.5	Very high	98.3	Very high	66 Å²	66	27.7 Å²	27.7	29%	0.287	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-5.4	176.4	-65.7	-158.7	178.7	-171.8	0	114.4	D448 Y521 G550 G551 E552	D448-K450 PolarHBondContact O-N 3.39Å; D448-K450 WeakPolarHBondContact OD1-CB 3.39Å; D448-K450 PolarHBondContact OD1-N 3.45Å; K450-Y521 HydrophobicContact CB-CD1 4.39Å; K450-Y521 HydrophobicContact CB-CE1 4Å; K450-Y521 HydrophobicContact CB-CE2 4.46Å; K450-Y521 HydrophobicContact CD-CE2 3.96Å; K450-Y521 HydrophobicContact CG-CD1 4.43Å; K450-Y521 HydrophobicContact CG-CD2 4.05Å; K450-Y521 HydrophobicContact CG-CE1 4.25Å; K450-Y521 HydrophobicContact CG-CE2 3.87Å; K450-Y521 HydrophobicContact CG-CG 4.35Å; K450-Y521 WeakPolarHBondContact O-CE1 3.32Å; K450-G550 WeakPolarHBondContact CD-O 3.36Å; K450-G550 PolarHBondContact NZ-O 3.01Å; K450-G550 VanDerWaalsContact NZ-O 3.08Å; K450-G551 WeakPolarHBondContact O-CA 3.38Å; K450-E552 PolarHBondContact O-N 3.12Å; K450-E552 VanDerWaalsContact O-N 3.09Å
451	K	98.7	Very high	98.2	Very high	29 Å²	29	27.9 Å²	27.9	13%	0.126	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	134.1	168.9	-71.1	174.8	-179.4	-73.2	0	109.9	R444 D448 P453 E552 E554	R444-K451 HydrophobicContact CB-CB 4.38Å; D448-K451 HydrophobicContact CB-CD 4.03Å; D448-K451 HydrophobicContact CB-CG 4.08Å; D448-K451 WeakPolarHBondContact O-CB 3.42Å; D448-K451 PolarHBondContact O-N 3.19Å; K451-P453 VanDerWaalsContact C-CD 3.49Å; K451-P453 VanDerWaalsContact O-CD 3.24Å; K451-P453 WeakPolarHBondContact O-CD 3.21Å; K451-E552 CarbonylContact C-O 3.53Å; K451-E552 WeakPolarHBondContact CA-O 3.4Å; K451-E552 HydrophobicContact CG-CB 4.39Å; K451-E552 IonicContact NZ-OE2 2.8Å; K451-E552 PolarHBondContact NZ-OE2 3.22Å; K451-E554 IonicContact NZ-OE1 2.71Å; K451-E554 PolarHBondContact NZ-OE1 3.45Å
452	V	98.8	Very high	98.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	84	-177.8	-174.7	0	0	0	0	108.2	M510 F515 S516 I517 Y521 I546 E552 E554	V452-M510 HydrophobicContact CG1-CE 3.75Å; V452-F515 HydrophobicContact CG1-CB 4.49Å; V452-F515 HydrophobicContact CG1-CD2 3.71Å; V452-F515 HydrophobicContact CG1-CE2 4.41Å; V452-F515 HydrophobicContact CG1-CG 4.49Å; V452-S516 WeakPolarHBondContact CA-O 3.37Å; V452-S516 WeakPolarHBondContact CG1-O 3.29Å; V452-I517 HydrophobicContact CG1-CB 4.24Å; V452-I517 HydrophobicContact CG1-CD1 4.35Å; V452-I517 HydrophobicContact CG2-CB 4.45Å; V452-I517 HydrophobicContact CG2-CD1 3.7Å; V452-I517 HydrophobicContact CG2-CG1 3.92Å; V452-Y521 HydrophobicContact CG2-CD1 4.48Å; V452-Y521 HydrophobicContact CG2-CE1 4.16Å; V452-I546 HydrophobicContact CB-CD1 3.94Å; V452-I546 HydrophobicContact CB-CG2 4.48Å; V452-I546 HydrophobicContact CG1-CD1 3.82Å; V452-I546 HydrophobicContact CG2-CD1 3.7Å; V452-I546 HydrophobicContact CG2-CG1 3.97Å; V452-I546 HydrophobicContact CG2-CG2 3.9Å; V452-E552 PolarHBondContact N-O 2.91Å; V452-E554 PolarHBondContact O-N 3.21Å
453	P	98.7	Very high	97.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	133.2	-175.1	30.7	-38.5	0	0	0	112.9	L441 R444 V445 K451 F515 S516 E554 I556	L441-P453 HydrophobicContact CB-CB 4.47Å; L441-P453 HydrophobicContact CB-CG 4.17Å; L441-P453 HydrophobicContact CD2-CB 3.86Å; L441-P453 HydrophobicContact CD2-CG 4.38Å; L441-P453 WeakPolarHBondContact O-CG 3.47Å; R444-P453 HydrophobicContact CB-CB 4.08Å; R444-P453 HydrophobicContact CB-CG 4.04Å; R444-P453 HydrophobicContact CG-CB 4.08Å; R444-P453 HydrophobicContact CG-CG 4.48Å; V445-P453 HydrophobicContact CG2-CG 3.82Å; K451-P453 VanDerWaalsContact C-CD 3.49Å; K451-P453 VanDerWaalsContact O-CD 3.24Å; K451-P453 WeakPolarHBondContact O-CD 3.21Å; P453-F515 WeakPolarHBondContact O-CA 3.33Å; P453-S516 VanDerWaalsContact CD-O 3.28Å; P453-S516 WeakPolarHBondContact CD-O 3.31Å; P453-S516 PolarHBondContact O-N 2.98Å; P453-E554 CarbonylContact C-O 3.5Å; P453-E554 VanDerWaalsContact CA-O 3.32Å; P453-E554 WeakPolarHBondContact CA-O 3.22Å; P453-I556 HydrophobicContact CB-CD1 4.22Å; P453-I556 HydrophobicContact CB-CG1 3.67Å
454	C	98.8	Very high	97.8	Very high	8 Å²	8	36.2 Å²	36.2	5%	0.054	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	143.4	168.3	-71.4	0	0	0	0	110.5	L514 E554 I555 I556	C454-L514 PolarHBondContact SG-O 2.74Å; C454-L514 VanDerWaalsContact SG-O 3.39Å; C454-E554 PolarHBondContact N-O 3.17Å; C454-I555 HydrophobicContact CB-CG1 4.09Å; C454-I555 WeakPolarHBondContact O-CA 3.2Å; C454-I556 PolarHBondContact O-N 2.96Å
455	P	98.4	Very high	97.7	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.013	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	161	163.8	32.1	-34.9	0	0	0	110.6	I457 L514 S559 V561	P455-I457 PolarHBondContact O-N 3.4Å; P455-L514 HydrophobicContact CG-CB 3.77Å; P455-L514 HydrophobicContact CG-CD2 4Å; P455-S559 WeakPolarHBondContact CA-O 3.32Å; P455-S559 WeakPolarHBondContact CB-OG 3.12Å; P455-V561 HydrophobicContact CB-CB 4.39Å; P455-V561 HydrophobicContact CB-CG2 3.91Å; P455-V561 HydrophobicContact CG-CB 4.37Å; P455-V561 HydrophobicContact CG-CG2 4.06Å
456	V	98.1	Very high	97.6	Very high	16 Å²	16	33.9 Å²	33.9	10%	0.097	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	124.8	155.8	171.9	0	0	0	0	108	E458 V470 I555 S559 R560 V561	V456-E458 PolarHBondContact O-N 3.16Å; V456-V470 HydrophobicContact CG1-CG2 3.46Å; V456-V470 VanDerWaalsContact CG1-CG2 3.46Å; V456-I555 HydrophobicContact CG2-CG2 3.67Å; V456-S559 PolarHBondContact N-O 2.62Å; V456-R560 HydrophobicContact CB-CG 4.28Å; V456-R560 WeakPolarHBondContact O-CA 3.38Å; V456-V561 PolarHBondContact O-N 3.22Å; V456-V561 VanDerWaalsContact O-N 3.08Å
457	I	97.9	Very high	97.6	Very high	16 Å²	16	31.6 Å²	31.6	8%	0.082	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	104.2	-179.2	-52.1	178.7	0	0	0	108.1	P455 W486 A511 L514 V561 H563 F565	P455-I457 PolarHBondContact O-N 3.4Å; I457-W486 HydrophobicContact CD1-CZ2 4.3Å; I457-A511 HydrophobicContact CD1-CB 3.98Å; I457-L514 HydrophobicContact CD1-CB 4.36Å; I457-L514 HydrophobicContact CD1-CD1 4.24Å; I457-V561 CarbonylContact C-O 3.53Å; I457-V561 WeakPolarHBondContact CA-O 3.5Å; I457-H563 HydrophobicContact CG2-CB 3.55Å; I457-F565 HydrophobicContact CB-CZ 4.49Å; I457-F565 HydrophobicContact CG2-CE2 3.87Å; I457-F565 HydrophobicContact CG2-CZ 3.68Å
458	E	97.2	Very high	97.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	156.7	178.3	-58.5	-83.1	-144.4	0	0	110.1	T321 V456 Y467 L469 V470 R560 V561 G562 H563	T321-E458 WeakPolarHBondContact CB-OE1 3.34Å; T321-E458 PolarHBondContact OG1-OE1 3.12Å; V456-E458 PolarHBondContact O-N 3.16Å; E458-Y467 HydrophobicContact CB-CE1 3.69Å; E458-Y467 HydrophobicContact CG-CE1 3.82Å; E458-L469 WeakPolarHBondContact OE2-CA 3.34Å; E458-V470 WeakPolarHBondContact OE2-CG2 3.45Å; E458-V470 PolarHBondContact OE2-N 3.18Å; E458-R560 HydrophobicContact CG-CB 4.21Å; E458-R560 VanDerWaalsContact OE1-CD 3.29Å; E458-R560 WeakPolarHBondContact OE1-CD 3.35Å; E458-R560 IonicContact OE1-CZ 2.87Å; E458-R560 IonicContact OE1-NE 3.68Å; E458-R560 IonicContact OE1-NH1 3.68Å; E458-R560 PolarHBondContact OE1-NH1 2.93Å; E458-R560 IonicContact OE2-NH1 2.8Å; E458-V561 PolarHBondContact N-O 3.1Å; E458-G562 CarbonylContact O-C 3.51Å; E458-G562 WeakPolarHBondContact O-CA 3.38Å; E458-H563 PolarHBondContact O-N 3.31Å
459	V	97.3	Very high	97.2	Very high	41 Å²	41	32.5 Å²	32.5	25%	0.248	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	119.5	-177.3	-178.6	0	0	0	0	110.4	M468 V470 F565	V459-M468 HydrophobicContact CB-CB 4.41Å; V459-M468 HydrophobicContact CB-CE 3.96Å; V459-M468 HydrophobicContact CG1-CE 3.43Å; V459-M468 VanDerWaalsContact CG1-CE 3.43Å; V459-M468 PolarHBondContact N-O 3.21Å; V459-M468 VanDerWaalsContact N-O 3.14Å; V459-M468 WeakPolarHBondContact O-CB 3.45Å; V459-M468 PolarHBondContact O-N 2.96Å; V459-V470 HydrophobicContact CG2-CG1 3.79Å; V459-F565 HydrophobicContact CB-CD2 4.22Å; V459-F565 HydrophobicContact CB-CE2 4.47Å; V459-F565 HydrophobicContact CG1-CD2 4.01Å; V459-F565 HydrophobicContact CG2-CD2 3.89Å; V459-F565 HydrophobicContact CG2-CE2 3.87Å
460	I	98.2	Very high	96.9	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	120.7	162	-56.4	168.8	0	0	0	107.7	E432 D462 M465 S466 Y467 G562 H563 I564	E432-I460 HydrophobicContact CB-CD1 3.94Å; E432-I460 HydrophobicContact CG-CD1 3.87Å; I460-D462 PolarHBondContact O-N 2.66Å; I460-M465 HydrophobicContact CG2-CE 4.33Å; I460-S466 CarbonylContact C-O 3.39Å; I460-S466 WeakPolarHBondContact CA-O 3.17Å; I460-Y467 HydrophobicContact CG1-CD2 4.15Å; I460-G562 VanDerWaalsContact CD1-C 3.5Å; I460-H563 PolarHBondContact N-O 2.9Å; I460-I564 HydrophobicContact CB-CG1 3.8Å; I460-I564 HydrophobicContact CD1-CG1 4.24Å; I460-I564 HydrophobicContact CG2-CD1 4.5Å; I460-I564 HydrophobicContact CG2-CG1 3.77Å
461	S	96.8	Very high	96.4	Very high	12 Å²	12	32.4 Å²	32.4	8%	0.084	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-61.7	128.1	-175.8	166.6	0	0	0	0	112.7	K463 D464 M465 S466	S461-K463 PolarHBondContact O-N 3.02Å; S461-K463 PolarHBondContact OG-N 2.63Å; S461-D464 WeakPolarHBondContact CB-OD1 3.47Å; S461-D464 PolarHBondContact OG-N 3.02Å; S461-D464 PolarHBondContact OG-OD1 3.34Å; S461-M465 WeakPolarHBondContact O-CA 3.31Å; S461-M465 PolarHBondContact O-N 3.03Å; S461-M465 VanDerWaalsContact O-N 3.16Å; S461-S466 VanDerWaalsContact CB-OG 3.23Å; S461-S466 WeakPolarHBondContact CB-OG 3.12Å; S461-S466 PolarHBondContact N-O 2.76Å
462	D	95.5	Very high	95.9	Very high	28 Å²	28	34 Å²	34	15%	0.15	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-16	177.3	68.9	-37.6	0	0	0	113.6	W299 F304 N305 I460	W299-D462 HydrophobicContact CH2-CB 4.16Å; W299-D462 WeakPolarHBondContact CH2-O 3.16Å; W299-D462 WeakPolarHBondContact CH2-OD2 3.28Å; W299-D462 WeakPolarHBondContact CZ3-O 3.29Å; F304-D462 CarbonylContact C-O 3.46Å; F304-D462 WeakPolarHBondContact CA-O 3.45Å; F304-D462 HydrophobicContact CB-CB 4.04Å; F304-D462 WeakPolarHBondContact CB-O 3.34Å; N305-D462 PolarHBondContact N-O 2.66Å; I460-D462 PolarHBondContact O-N 2.66Å
463	K	94.4	Very high	95.6	Very high	128 Å²	128	35.8 Å²	35.8	56%	0.557	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.6	-47.3	-170.4	-70.7	167	-168.9	76.6	0	113.7	W299 N305 S461	W299-K463 HydrophobicContact CH2-CG 4.04Å; W299-K463 HydrophobicContact CZ3-CG 4.42Å; N305-K463 WeakPolarHBondContact CB-O 3.49Å; N305-K463 PolarHBondContact ND2-O 3.33Å; S461-K463 PolarHBondContact O-N 3.02Å; S461-K463 PolarHBondContact OG-N 2.63Å
464	D	96.1	Very high	95.3	Very high	42 Å²	42	38.3 Å²	38.3	23%	0.225	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.4	5.1	-174.4	70.5	5.7	0	0	0	113.7	P284 V285 S461 S466	P284-D464 HydrophobicContact CB-CB 4.31Å; P284-D464 VanDerWaalsContact CB-OD2 3.24Å; P284-D464 WeakPolarHBondContact CB-OD2 3.36Å; V285-D464 PolarHBondContact N-O 3.08Å; S461-D464 WeakPolarHBondContact CB-OD1 3.47Å; S461-D464 PolarHBondContact OG-N 3.02Å; S461-D464 PolarHBondContact OG-OD1 3.34Å; D464-S466 PolarHBondContact O-N 3.35Å; D464-S466 WeakPolarHBondContact OD1-CB 3.31Å; D464-S466 PolarHBondContact OD1-N 2.82Å; D464-S466 VanDerWaalsContact OD1-N 3.16Å; D464-S466 PolarHBondContact OD1-OG 3.46Å
465	M	96.8	Very high	95.1	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.199	C	C	.	.			trans	56.5	19.4	176.7	-58.8	-63.7	-67.1	0	0	114.8	F304 L308 I312 R316 I460 S461 I564	F304-M465 HydrophobicContact CD2-SD 4.09Å; L308-M465 HydrophobicContact CB-CG 4.36Å; L308-M465 HydrophobicContact CD2-CB 4.01Å; L308-M465 HydrophobicContact CD2-CG 3.66Å; L308-M465 HydrophobicContact CG-CB 4.33Å; L308-M465 HydrophobicContact CG-CG 3.78Å; I312-M465 HydrophobicContact CD1-CB 3.34Å; I312-M465 HydrophobicContact CD1-CG 3.74Å; R316-M465 PolarHBondContact NH1-O 2.95Å; R316-M465 PolarHBondContact NH2-O 2.95Å; I460-M465 HydrophobicContact CG2-CE 4.33Å; S461-M465 WeakPolarHBondContact O-CA 3.31Å; S461-M465 PolarHBondContact O-N 3.03Å; S461-M465 VanDerWaalsContact O-N 3.16Å; M465-I564 HydrophobicContact CE-CD1 3.7Å
466	S	97.4	Very high	95.1	Very high	9 Å²	9	38.9 Å²	38.9	6%	0.063	20%	0.198	C	C	.	.			trans	-63.8	148.1	171	53.7	0	0	0	0	112.2	G282 I460 S461 D464	G282-S466 CarbonylContact O-C 3.57Å; G282-S466 VanDerWaalsContact O-CA 3.31Å; G282-S466 WeakPolarHBondContact O-CA 3.34Å; I460-S466 CarbonylContact C-O 3.39Å; I460-S466 WeakPolarHBondContact CA-O 3.17Å; S461-S466 VanDerWaalsContact CB-OG 3.23Å; S461-S466 WeakPolarHBondContact CB-OG 3.12Å; S461-S466 PolarHBondContact N-O 2.76Å; D464-S466 PolarHBondContact O-N 3.35Å; D464-S466 WeakPolarHBondContact OD1-CB 3.31Å; D464-S466 PolarHBondContact OD1-N 2.82Å; D464-S466 VanDerWaalsContact OD1-N 3.16Å; D464-S466 PolarHBondContact OD1-OG 3.46Å
467	Y	97.6	Very high	95	Very high	15 Å²	15	38.7 Å²	38.7	6%	0.059	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	111	172.9	-168	-70.3	0	0	0	108.4	G282 V318 P319 T321 E432 E458 I460 G562	G282-Y467 PolarHBondContact O-N 3.01Å; V318-Y467 HydrophobicContact CB-CD2 3.95Å; V318-Y467 HydrophobicContact CB-CE2 4.11Å; V318-Y467 HydrophobicContact CB-CG 4.4Å; V318-Y467 HydrophobicContact CG1-CD2 3.72Å; V318-Y467 HydrophobicContact CG1-CE2 4Å; V318-Y467 HydrophobicContact CG2-CE2 4.5Å; P319-Y467 HydrophobicContact CG-CD1 4.07Å; P319-Y467 HydrophobicContact CG-CG 4.43Å; T321-Y467 HydrophobicContact CG2-CD1 4.01Å; T321-Y467 HydrophobicContact CG2-CE1 3.73Å; E432-Y467 HydrophobicContact CB-CE2 4.27Å; E458-Y467 HydrophobicContact CB-CE1 3.69Å; E458-Y467 HydrophobicContact CG-CE1 3.82Å; I460-Y467 HydrophobicContact CG1-CD2 4.15Å; Y467-G562 PolarHBondContact OH-N 2.84Å; Y467-G562 VanDerWaalsContact OH-N 3.17Å
468	M	94.8	Very high	94.9	Very high	72 Å²	72	38 Å²	38	36%	0.355	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	133.7	-169.8	-58.3	-175.5	-65.8	0	0	111.9	V459	V459-M468 HydrophobicContact CB-CB 4.41Å; V459-M468 HydrophobicContact CB-CE 3.96Å; V459-M468 HydrophobicContact CG1-CE 3.43Å; V459-M468 VanDerWaalsContact CG1-CE 3.43Å; V459-M468 PolarHBondContact N-O 3.21Å; V459-M468 VanDerWaalsContact N-O 3.14Å; V459-M468 WeakPolarHBondContact O-CB 3.45Å; V459-M468 PolarHBondContact O-N 2.96Å
469	L	93.5	Very high	94.7	Very high	106 Å²	106	44.9 Å²	44.9	56%	0.555	22%	0.223	S	C	*	.	P	Polyproline II helix	trans	-68	131.2	175.4	-177.3	75.1	0	0	0	111.3	T321 E458	T321-L469 HydrophobicContact CG2-CD1 4.33Å; E458-L469 WeakPolarHBondContact OE2-CA 3.34Å
470	V	91.9	Very high	94.4	Very high	35 Å²	35	44.3 Å²	44.3	21%	0.212	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-95.4	155.2	165.1	-54.6	0	0	0	0	111.7	V456 E458 V459	V456-V470 HydrophobicContact CG1-CG2 3.46Å; V456-V470 VanDerWaalsContact CG1-CG2 3.46Å; E458-V470 WeakPolarHBondContact OE2-CG2 3.45Å; E458-V470 PolarHBondContact OE2-N 3.18Å; V459-V470 HydrophobicContact CG2-CG1 3.79Å
471	D	87.7	Confident	94.1	Very high	120 Å²	120	45.1 Å²	45.1	64%	0.642	22%	0.222	S	C	*	.	P	Polyproline II helix	trans	-61.6	147.1	178.9	-65.2	-48.8	0	0	0	112.4	Q474	D471-Q474 HydrophobicContact CB-CG 4.39Å; D471-Q474 WeakPolarHBondContact O-CG 3.36Å
472	N	87.7	Confident	94	Very high	64 Å²	64	44.9 Å²	44.9	34%	0.342	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	167.6	174.8	-60.2	-58.3	0	0	0	111.3	Q474 V501 R560	N472-Q474 PolarHBondContact O-N 3Å; N472-V501 HydrophobicContact CB-CG1 3.78Å; N472-V501 VanDerWaalsContact CG-CG1 3.42Å; N472-V501 WeakPolarHBondContact ND2-CG1 3.44Å; N472-R560 PolarHBondContact OD1-NH2 3.28Å
473	F	91.9	Very high	93.9	Very high	37 Å²	37	47.4 Å²	47.4	16%	0.162	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	25.3	-178.7	-55.8	-69.2	0	0	0	115	P488 V489 I494 M499 K500 V501 I505	F473-P488 CarbonylContact O-C 3.54Å; F473-P488 WeakPolarHBondContact O-CA 3.37Å; F473-V489 HydrophobicContact CB-CB 4.39Å; F473-V489 HydrophobicContact CB-CG2 4.44Å; F473-V489 WeakPolarHBondContact O-CG2 3.33Å; F473-V489 PolarHBondContact O-N 2.81Å; F473-I494 HydrophobicContact CB-CD1 3.96Å; F473-I494 HydrophobicContact CD1-CD1 4.22Å; F473-I494 HydrophobicContact CD1-CG1 4.41Å; F473-I494 HydrophobicContact CD2-CD1 4.05Å; F473-I494 HydrophobicContact CG-CD1 3.83Å; F473-I494 HydrophobicContact CZ-CG2 4.46Å; F473-M499 HydrophobicContact CE1-CB 4.01Å; F473-K500 WeakPolarHBondContact CE1-O 3.4Å; F473-V501 HydrophobicContact CE2-CG2 4.15Å; F473-V501 HydrophobicContact CZ-CB 4.49Å; F473-V501 HydrophobicContact CZ-CG2 4.22Å; F473-I505 HydrophobicContact CD1-CD1 4.45Å
474	Q	93.9	Very high	94	Very high	52 Å²	52	44.2 Å²	44.2	24%	0.243	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	139.1	167.8	-64.3	-62.2	-36.7	0	0	110.8	D471 N472 W486 S487	D471-Q474 HydrophobicContact CB-CG 4.39Å; D471-Q474 WeakPolarHBondContact O-CG 3.36Å; N472-Q474 PolarHBondContact O-N 3Å; Q474-W486 HydrophobicContact CB-CE3 4.38Å; Q474-S487 PolarHBondContact OE1-O 2.88Å
475	R	95.1	Very high	93.9	Very high	22 Å²	22	43.3 Å²	43.3	8%	0.083	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	151.3	171.3	56.9	174.8	175.9	157	7.8	111.5	I477 S487 V489 I505 I555 D644	R475-I477 HydrophobicContact CG-CG2 4.46Å; R475-S487 WeakPolarHBondContact CG-O 3.03Å; R475-S487 PolarHBondContact N-O 2.71Å; R475-S487 PolarHBondContact O-N 3.06Å; R475-V489 HydrophobicContact CG-CG2 4.23Å; R475-I505 HydrophobicContact CB-CG2 3.94Å; R475-I555 HydrophobicContact CB-CD1 4.39Å; R475-D644 IonicContact CZ-OD2 2.77Å; R475-D644 IonicContact NH1-OD2 3.86Å; R475-D644 PolarHBondContact NH1-OD2 3.15Å; R475-D644 IonicContact NH2-OD1 3.84Å; R475-D644 IonicContact NH2-OD2 2.67Å; R475-D644 PolarHBondContact NH2-OD2 2.82Å
476	G	96.8	Very high	93.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	131.5	174.7	0	0	0	0	0	111.1	C507 P508 V509	G476-C507 PolarHBondContact N-SG 3.15Å; G476-C507 VanDerWaalsContact N-SG 3.37Å; G476-P508 WeakPolarHBondContact O-CD 3.47Å; G476-V509 CarbonylContact C-O 3.57Å; G476-V509 WeakPolarHBondContact CA-O 3.23Å; G476-V509 PolarHBondContact O-N 2.84Å; G476-V509 VanDerWaalsContact O-N 3.13Å
477	I	96.6	Very high	93.7	Very high	13 Å²	13	49.5 Å²	49.5	7%	0.067	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	176.5	179.4	62.7	155	0	0	0	109.9	R475 F484 G485 P508 F642	R475-I477 HydrophobicContact CG-CG2 4.46Å; I477-F484 WeakPolarHBondContact O-CD2 3.3Å; I477-G485 WeakPolarHBondContact CG1-O 3.3Å; I477-G485 PolarHBondContact N-O 3.37Å; I477-G485 PolarHBondContact O-N 3.39Å; I477-P508 HydrophobicContact CG2-CG 4.49Å; I477-F642 HydrophobicContact CB-CE1 4.11Å; I477-F642 HydrophobicContact CB-CE2 4.32Å; I477-F642 HydrophobicContact CB-CZ 3.66Å; I477-F642 HydrophobicContact CD1-CZ 4.32Å; I477-F642 HydrophobicContact CG2-CE1 4.42Å; I477-F642 HydrophobicContact CG2-CE2 3.82Å; I477-F642 HydrophobicContact CG2-CZ 3.69Å
478	F	95.6	Very high	93.5	Very high	1 Å²	1	52.2 Å²	52.2	0%	0.004	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	160.3	162.8	74.6	-80.8	0	0	0	110.8	W480 L482 V483 V509 M540 F544 F634 Y637 F642 M645	F478-W480 HydrophobicContact CE2-CD2 4.44Å; F478-W480 HydrophobicContact CE2-CE3 4.28Å; F478-W480 HydrophobicContact CE2-CH2 4.19Å; F478-W480 HydrophobicContact CE2-CZ2 4.35Å; F478-W480 HydrophobicContact CE2-CZ3 4.15Å; F478-L482 HydrophobicContact CD2-CD2 3.7Å; F478-L482 HydrophobicContact CE2-CD2 3.76Å; F478-L482 HydrophobicContact CG-CD2 4.42Å; F478-V483 CarbonylContact C-O 3.48Å; F478-V483 WeakPolarHBondContact CA-O 3.15Å; F478-V509 HydrophobicContact CD1-CG2 3.7Å; F478-V509 HydrophobicContact CE1-CG2 4.47Å; F478-M540 HydrophobicContact CB-CE 3.7Å; F478-M540 HydrophobicContact CB-SD 3.75Å; F478-M540 HydrophobicContact CG-SD 4.23Å; F478-F544 HydrophobicContact CD1-CE1 4.49Å; F478-F544 HydrophobicContact CD1-CZ 4.49Å; F478-F544 HydrophobicContact CE1-CE1 4.14Å; F478-F544 HydrophobicContact CE1-CZ 4.24Å; F478-F544 HydrophobicContact CZ-CZ 4.48Å; F478-F634 HydrophobicContact CE1-CZ 4.46Å; F478-F634 AromaticContact CZ-CZ 3.86Å; F478-F634 HydrophobicContact CZ-CZ 3.86Å; F478-Y637 HydrophobicContact CE1-CE1 4.02Å; F478-F642 HydrophobicContact CD1-CD1 4.18Å; F478-F642 HydrophobicContact CD1-CE1 4.08Å; F478-F642 AromaticContact CE1-CD1 3.79Å; F478-F642 HydrophobicContact CE1-CD1 3.79Å; F478-F642 HydrophobicContact CE1-CE1 4.04Å; F478-M645 HydrophobicContact CD2-CE 4.05Å; F478-M645 HydrophobicContact CD2-SD 4.46Å; F478-M645 HydrophobicContact CE1-SD 3.99Å; F478-M645 HydrophobicContact CE2-CE 3.54Å; F478-M645 HydrophobicContact CE2-SD 3.71Å; F478-M645 HydrophobicContact CZ-CE 3.93Å; F478-M645 HydrophobicContact CZ-SD 3.41Å; F478-M645 WeakPolarHBondContact CZ-SD 3.35Å
479	K	93.3	Very high	93.4	Very high	145 Å²	145	49.3 Å²	49.3	63%	0.63	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.6	156.1	166.5	-62.9	-170.9	178	-170.2	0	108.9	P481 L482 V483	K479-P481 CarbonylContact O-C 3.59Å; K479-L482 CarbonylContact O-C 3.59Å; K479-L482 WeakPolarHBondContact O-CA 3.49Å; K479-L482 PolarHBondContact O-N 3.15Å; K479-V483 PolarHBondContact N-O 3.27Å; K479-V483 PolarHBondContact O-N 2.83Å
480	W	91.6	Very high	93.3	Very high	28 Å²	28	45.9 Å²	45.9	11%	0.106	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	138.5	173.6	-63.2	118.4	0	0	0	111	F478 L482 L593 L599 F600 H603 F634 M645 T647	F478-W480 HydrophobicContact CE2-CD2 4.44Å; F478-W480 HydrophobicContact CE2-CE3 4.28Å; F478-W480 HydrophobicContact CE2-CH2 4.19Å; F478-W480 HydrophobicContact CE2-CZ2 4.35Å; F478-W480 HydrophobicContact CE2-CZ3 4.15Å; W480-L482 HydrophobicContact CZ3-CD2 4.12Å; W480-L593 HydrophobicContact CH2-CD1 4.23Å; W480-L593 HydrophobicContact CH2-CD2 4.26Å; W480-L593 HydrophobicContact CZ3-CD1 3.82Å; W480-L593 HydrophobicContact CZ3-CD2 4.42Å; W480-L599 HydrophobicContact CD2-CB 3.97Å; W480-L599 HydrophobicContact CE3-CB 4.2Å; W480-L599 HydrophobicContact CH2-CB 4.28Å; W480-L599 HydrophobicContact CZ2-CB 4.04Å; W480-L599 HydrophobicContact CZ2-CD1 3.94Å; W480-L599 HydrophobicContact CZ2-CG 4.44Å; W480-L599 HydrophobicContact CZ3-CB 4.36Å; W480-F600 HydrophobicContact CE3-CB 4.34Å; W480-F600 HydrophobicContact CZ3-CB 4.19Å; W480-H603 HydrophobicContact CB-CB 4.21Å; W480-F634 HydrophobicContact CH2-CE1 4.07Å; W480-F634 HydrophobicContact CZ2-CE1 4.46Å; W480-M645 HydrophobicContact CD2-CE 4.18Å; W480-M645 HydrophobicContact CG-CE 4.12Å; W480-M645 HydrophobicContact CZ2-CE 4.38Å; W480-T647 HydrophobicContact CZ2-CG2 3.97Å
481	P	92.3	Very high	93.3	Very high	19 Å²	19	50.5 Å²	50.5	12%	0.123	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	cis	-94.6	88.8	-2	35.5	-32.5	0	0	0	113.2	K479 V483 F600 H603 Y605	K479-P481 CarbonylContact O-C 3.59Å; P481-V483 VanDerWaalsContact C-N 3.35Å; P481-V483 PolarHBondContact O-N 3.37Å; P481-F600 HydrophobicContact CB-CD2 3.78Å; P481-F600 HydrophobicContact CB-CE2 4.19Å; P481-H603 HydrophobicContact CB-CB 3.83Å; P481-H603 HydrophobicContact CG-CB 4.17Å; P481-Y605 HydrophobicContact CB-CD2 3.6Å; P481-Y605 HydrophobicContact CB-CE2 3.53Å; P481-Y605 HydrophobicContact CG-CD2 3.78Å; P481-Y605 HydrophobicContact CG-CE2 3.34Å
482	L	94.5	Very high	93.4	Very high	6 Å²	6	49.6 Å²	49.6	3%	0.031	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	57	37.6	-179.3	-57.5	-177.4	0	0	0	115.1	F478 K479 W480 M540 F544 L585 V588 L593 F600	F478-L482 HydrophobicContact CD2-CD2 3.7Å; F478-L482 HydrophobicContact CE2-CD2 3.76Å; F478-L482 HydrophobicContact CG-CD2 4.42Å; K479-L482 CarbonylContact O-C 3.59Å; K479-L482 WeakPolarHBondContact O-CA 3.49Å; K479-L482 PolarHBondContact O-N 3.15Å; W480-L482 HydrophobicContact CZ3-CD2 4.12Å; L482-M540 HydrophobicContact CB-CG 4.39Å; L482-M540 HydrophobicContact CB-SD 4.32Å; L482-M540 HydrophobicContact CD2-SD 4.45Å; L482-M540 WeakPolarHBondContact O-CE 3.37Å; L482-F544 HydrophobicContact CD2-CE2 4.12Å; L482-F544 HydrophobicContact CD2-CZ 3.96Å; L482-L585 HydrophobicContact CB-CD2 3.91Å; L482-L585 HydrophobicContact CD1-CD2 4.2Å; L482-V588 HydrophobicContact CD1-CG1 4.38Å; L482-L593 HydrophobicContact CD1-CD1 4.25Å; L482-L593 HydrophobicContact CD2-CD1 4.42Å; L482-L593 HydrophobicContact CD2-CD2 4.31Å; L482-F600 HydrophobicContact CB-CD2 4.42Å; L482-F600 HydrophobicContact CD1-CD2 3.98Å; L482-F600 HydrophobicContact CD1-CE2 4.16Å; L482-F600 HydrophobicContact CG-CD2 3.88Å; L482-F600 HydrophobicContact CG-CE2 4.32Å
483	V	93.4	Very high	93.6	Very high	82 Å²	82	48.4 Å²	48.4	50%	0.497	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	121.4	173.5	-178.4	0	0	0	0	109.6	F478 K479 P481	F478-V483 CarbonylContact C-O 3.48Å; F478-V483 WeakPolarHBondContact CA-O 3.15Å; K479-V483 PolarHBondContact N-O 3.27Å; K479-V483 PolarHBondContact O-N 2.83Å; P481-V483 VanDerWaalsContact C-N 3.35Å; P481-V483 PolarHBondContact O-N 3.37Å
484	F	95.3	Very high	93.6	Very high	61 Å²	61	48.3 Å²	48.3	27%	0.268	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	146	176.2	177.9	-102.4	0	0	0	112.3	I477 W486 V509 A511 M540	I477-F484 WeakPolarHBondContact O-CD2 3.3Å; F484-W486 HydrophobicContact CE1-CD2 4.43Å; F484-W486 AromaticContact CE1-CE2 3.91Å; F484-W486 HydrophobicContact CE1-CZ2 4.28Å; F484-W486 AromaticContact CE1-NE1 3.78Å; F484-W486 HydrophobicContact CZ-CD2 4.11Å; F484-W486 AromaticContact CZ-CE2 3.81Å; F484-W486 HydrophobicContact CZ-CH2 4.37Å; F484-W486 AromaticContact CZ-CZ2 3.95Å; F484-W486 HydrophobicContact CZ-CZ2 3.95Å; F484-V509 HydrophobicContact CD2-CG1 4.06Å; F484-A511 HydrophobicContact CE1-CB 3.9Å; F484-A511 HydrophobicContact CE2-CB 4.26Å; F484-A511 HydrophobicContact CZ-CB 3.62Å; F484-M540 HydrophobicContact CB-CE 3.68Å; F484-M540 HydrophobicContact CD2-CE 4.49Å
485	G	94.9	Very high	93.6	Very high	23 Å²	23	52.4 Å²	52.4	24%	0.237	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	170.1	169.7	0	0	0	0	0	112.9	I477	I477-G485 WeakPolarHBondContact CG1-O 3.3Å; I477-G485 PolarHBondContact N-O 3.37Å; I477-G485 PolarHBondContact O-N 3.39Å
486	W	94.3	Very high	93.5	Very high	103 Å²	103	59.8 Å²	59.8	39%	0.39	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	147.8	171.3	-63.9	104.2	0	0	0	110.6	I457 Q474 F484 A511 I555	I457-W486 HydrophobicContact CD1-CZ2 4.3Å; Q474-W486 HydrophobicContact CB-CE3 4.38Å; F484-W486 HydrophobicContact CE1-CD2 4.43Å; F484-W486 AromaticContact CE1-CE2 3.91Å; F484-W486 HydrophobicContact CE1-CZ2 4.28Å; F484-W486 AromaticContact CE1-NE1 3.78Å; F484-W486 HydrophobicContact CZ-CD2 4.11Å; F484-W486 AromaticContact CZ-CE2 3.81Å; F484-W486 HydrophobicContact CZ-CH2 4.37Å; F484-W486 AromaticContact CZ-CZ2 3.95Å; F484-W486 HydrophobicContact CZ-CZ2 3.95Å; W486-A511 HydrophobicContact CH2-CB 4.35Å; W486-A511 HydrophobicContact CZ2-CB 3.96Å; W486-I555 HydrophobicContact CZ3-CD1 3.83Å
487	S	94.4	Very high	93.3	Very high	36 Å²	36	64.5 Å²	64.5	25%	0.252	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	143.8	174.5	-171.2	0	0	0	0	110	Q474 R475	Q474-S487 PolarHBondContact OE1-O 2.88Å; R475-S487 WeakPolarHBondContact CG-O 3.03Å; R475-S487 PolarHBondContact N-O 2.71Å; R475-S487 PolarHBondContact O-N 3.06Å
488	P	94.4	Very high	93.2	Very high	72 Å²	72	70.1 Å²	70.1	47%	0.468	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	154.1	171.6	26.2	-34.5	0	0	0	111.6	F473	F473-P488 CarbonylContact O-C 3.54Å; F473-P488 WeakPolarHBondContact O-CA 3.37Å
489	V	93.3	Very high	93.1	Very high	11 Å²	11	71.7 Å²	71.7	7%	0.067	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-66.5	132.7	160.5	-178.6	0	0	0	0	107.7	F473 R475 V493 I494 M499 I505	F473-V489 HydrophobicContact CB-CB 4.39Å; F473-V489 HydrophobicContact CB-CG2 4.44Å; F473-V489 WeakPolarHBondContact O-CG2 3.33Å; F473-V489 PolarHBondContact O-N 2.81Å; R475-V489 HydrophobicContact CG-CG2 4.23Å; V489-V493 HydrophobicContact CG1-CB 4.07Å; V489-V493 HydrophobicContact CG1-CG1 3.85Å; V489-I494 HydrophobicContact CB-CD1 4.15Å; V489-I494 HydrophobicContact CB-CG1 4.03Å; V489-I494 HydrophobicContact CG1-CD1 4.43Å; V489-I494 HydrophobicContact CG1-CG1 3.77Å; V489-I494 WeakPolarHBondContact O-CD1 3.23Å; V489-M499 HydrophobicContact CG1-SD 4.35Å; V489-I505 HydrophobicContact CG2-CG2 3.54Å
490	P	91.6	Very high	93.1	Very high	33 Å²	33	71.1 Å²	71.1	21%	0.214	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-56.5	140.6	179.2	-27.3	35.6	0	0	0	112.7	D492 V493 I494	P490-D492 VanDerWaalsContact C-N 3.27Å; P490-D492 WeakPolarHBondContact CB-OD1 3.43Å; P490-D492 PolarHBondContact O-N 3.35Å; P490-V493 HydrophobicContact CB-CB 4.34Å; P490-V493 HydrophobicContact CB-CG2 4.02Å; P490-V493 HydrophobicContact CG-CG2 4.27Å; P490-V493 WeakPolarHBondContact O-CB 3.39Å; P490-V493 PolarHBondContact O-N 2.94Å; P490-V493 VanDerWaalsContact O-N 3.09Å; P490-I494 PolarHBondContact O-N 3.09Å
491	E	91.2	Very high	93.2	Very high	133 Å²	133	72.5 Å²	72.5	62%	0.621	37%	0.372	S	S	*	.	H	α-helix	trans	-61.3	-34.4	-176.1	-79	-168	-145.3	0	0	113.3	I494 K495	E491-I494 PolarHBondContact O-N 2.92Å; E491-K495 WeakPolarHBondContact O-CB 3.44Å; E491-K495 VanDerWaalsContact O-CD 3.3Å; E491-K495 WeakPolarHBondContact O-CD 3.46Å; E491-K495 WeakPolarHBondContact O-CG 3.37Å; E491-K495 PolarHBondContact O-N 2.73Å; E491-K495 WeakPolarHBondContact OE2-CE 3.1Å; E491-K495 IonicContact OE2-NZ 2.86Å; E491-K495 PolarHBondContact OE2-NZ 3.36Å
492	D	90.4	Very high	93.3	Very high	101 Å²	101	72.6 Å²	72.6	54%	0.54	37%	0.372	S	S	.	.	H	α-helix	trans	-65.7	-39.9	175.5	65.6	-63.4	0	0	0	111.1	P490 K495 K496	P490-D492 VanDerWaalsContact C-N 3.27Å; P490-D492 WeakPolarHBondContact CB-OD1 3.43Å; P490-D492 PolarHBondContact O-N 3.35Å; D492-K495 PolarHBondContact O-N 3.46Å; D492-K496 WeakPolarHBondContact O-CB 3.24Å; D492-K496 PolarHBondContact O-N 2.76Å
493	V	90.5	Very high	93.3	Very high	39 Å²	39	74.6 Å²	74.6	24%	0.236	38%	0.383	C	S	.	.	H	α-helix	trans	-65	-44.4	174.6	176.3	0	0	0	0	110.8	V489 P490 N497	V489-V493 HydrophobicContact CG1-CB 4.07Å; V489-V493 HydrophobicContact CG1-CG1 3.85Å; P490-V493 HydrophobicContact CB-CB 4.34Å; P490-V493 HydrophobicContact CB-CG2 4.02Å; P490-V493 HydrophobicContact CG-CG2 4.27Å; P490-V493 WeakPolarHBondContact O-CB 3.39Å; P490-V493 PolarHBondContact O-N 2.94Å; P490-V493 VanDerWaalsContact O-N 3.09Å; V493-N497 VanDerWaalsContact O-CB 3.31Å; V493-N497 WeakPolarHBondContact O-CB 3.45Å; V493-N497 PolarHBondContact O-N 3.27Å; V493-N497 VanDerWaalsContact O-N 3.08Å; V493-N497 PolarHBondContact O-ND2 3.31Å
494	I	92.4	Very high	93.5	Very high	34 Å²	34	72.9 Å²	72.9	17%	0.174	37%	0.374	C	S	.	.	H	α-helix	trans	-58.6	-49.4	175.4	-66.1	172.3	0	0	0	110.5	F473 V489 P490 E491 N498 M499	F473-I494 HydrophobicContact CB-CD1 3.96Å; F473-I494 HydrophobicContact CD1-CD1 4.22Å; F473-I494 HydrophobicContact CD1-CG1 4.41Å; F473-I494 HydrophobicContact CD2-CD1 4.05Å; F473-I494 HydrophobicContact CG-CD1 3.83Å; F473-I494 HydrophobicContact CZ-CG2 4.46Å; V489-I494 HydrophobicContact CB-CD1 4.15Å; V489-I494 HydrophobicContact CB-CG1 4.03Å; V489-I494 HydrophobicContact CG1-CD1 4.43Å; V489-I494 HydrophobicContact CG1-CG1 3.77Å; V489-I494 WeakPolarHBondContact O-CD1 3.23Å; P490-I494 PolarHBondContact O-N 3.09Å; E491-I494 PolarHBondContact O-N 2.92Å; I494-N498 WeakPolarHBondContact O-CA 3.47Å; I494-N498 PolarHBondContact O-N 3.14Å; I494-M499 HydrophobicContact CG1-SD 4.49Å; I494-M499 HydrophobicContact CG2-CB 4.32Å; I494-M499 PolarHBondContact O-N 3.33Å
495	K	93.5	Very high	93.6	Very high	138 Å²	138	70.1 Å²	70.1	60%	0.6	36%	0.362	S	S	*	.	H	α-helix	trans	-68.1	-47.1	-177.6	-69.8	162.5	-166	169.8	0	112	E491 D492 N497 N498	E491-K495 WeakPolarHBondContact O-CB 3.44Å; E491-K495 VanDerWaalsContact O-CD 3.3Å; E491-K495 WeakPolarHBondContact O-CD 3.46Å; E491-K495 WeakPolarHBondContact O-CG 3.37Å; E491-K495 PolarHBondContact O-N 2.73Å; E491-K495 WeakPolarHBondContact OE2-CE 3.1Å; E491-K495 IonicContact OE2-NZ 2.86Å; E491-K495 PolarHBondContact OE2-NZ 3.36Å; D492-K495 PolarHBondContact O-N 3.46Å; K495-N497 VanDerWaalsContact C-N 3.31Å; K495-N497 PolarHBondContact O-N 2.81Å; K495-N498 PolarHBondContact O-N 3.2Å
496	K	92.8	Very high	93.7	Very high	177 Å²	177	74.7 Å²	74.7	77%	0.77	37%	0.372	S	S	*	.	H	α-helix	trans	-60.5	-38.5	179.8	179.5	179.7	177.4	-179.8	0	112.6	D492	D492-K496 WeakPolarHBondContact O-CB 3.24Å; D492-K496 PolarHBondContact O-N 2.76Å
497	N	92.6	Very high	93.8	Very high	100 Å²	100	69.8 Å²	69.8	54%	0.535	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	1.1	-179.2	-61.5	-17.5	0	0	0	113	V493 K495 M499	V493-N497 VanDerWaalsContact O-CB 3.31Å; V493-N497 WeakPolarHBondContact O-CB 3.45Å; V493-N497 PolarHBondContact O-N 3.27Å; V493-N497 VanDerWaalsContact O-N 3.08Å; V493-N497 PolarHBondContact O-ND2 3.31Å; K495-N497 VanDerWaalsContact C-N 3.31Å; K495-N497 PolarHBondContact O-N 2.81Å; N497-M499 VanDerWaalsContact C-N 3.27Å; N497-M499 HydrophobicContact CB-CG 3.79Å; N497-M499 HydrophobicContact CB-SD 4.37Å; N497-M499 PolarHBondContact O-N 2.7Å
498	N	94.6	Very high	93.9	Very high	131 Å²	131	68.1 Å²	68.1	70%	0.701	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	42.1	-176.7	-166.4	28.3	0	0	0	113.5	I494 K495 K500	I494-N498 WeakPolarHBondContact O-CA 3.47Å; I494-N498 PolarHBondContact O-N 3.14Å; K495-N498 PolarHBondContact O-N 3.2Å; N498-K500 PolarHBondContact O-N 2.99Å
499	M	94.4	Very high	94.1	Very high	33 Å²	33	64.7 Å²	64.7	16%	0.163	32%	0.319	C	S	.	.			trans	-70	128.7	-171.5	-63.6	178.1	64.8	0	0	112.1	F473 V489 I494 N497 I505	F473-M499 HydrophobicContact CE1-CB 4.01Å; V489-M499 HydrophobicContact CG1-SD 4.35Å; I494-M499 HydrophobicContact CG1-SD 4.49Å; I494-M499 HydrophobicContact CG2-CB 4.32Å; I494-M499 PolarHBondContact O-N 3.33Å; N497-M499 VanDerWaalsContact C-N 3.27Å; N497-M499 HydrophobicContact CB-CG 3.79Å; N497-M499 HydrophobicContact CB-SD 4.37Å; N497-M499 PolarHBondContact O-N 2.7Å; M499-I505 HydrophobicContact CE-CG1 4.32Å
500	K	93.8	Very high	94.3	Very high	133 Å²	133	64.2 Å²	64.2	58%	0.578	32%	0.317	S	S	*	.			trans	-88	158.9	172.8	-54.5	161.8	-173.3	164.7	0	110.3	F473 N498 T502 D503	F473-K500 WeakPolarHBondContact CE1-O 3.4Å; N498-K500 PolarHBondContact O-N 2.99Å; K500-T502 PolarHBondContact O-N 3.21Å; K500-D503 WeakPolarHBondContact CB-OD2 3.39Å; K500-D503 PolarHBondContact N-OD2 2.96Å; K500-D503 PolarHBondContact O-N 3.13Å
501	V	93	Very high	94.5	Very high	57 Å²	57	64.2 Å²	64.2	35%	0.345	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-16.9	178.7	-165.8	0	0	0	0	113	P323 N472 F473 P557	P323-V501 HydrophobicContact CB-CG1 4.39Å; P323-V501 HydrophobicContact CG-CB 4.47Å; P323-V501 HydrophobicContact CG-CG1 3.8Å; N472-V501 HydrophobicContact CB-CG1 3.78Å; N472-V501 VanDerWaalsContact CG-CG1 3.42Å; N472-V501 WeakPolarHBondContact ND2-CG1 3.44Å; F473-V501 HydrophobicContact CE2-CG2 4.15Å; F473-V501 HydrophobicContact CZ-CB 4.49Å; F473-V501 HydrophobicContact CZ-CG2 4.22Å; V501-P557 WeakPolarHBondContact O-CB 3.48Å; V501-P557 WeakPolarHBondContact O-CG 3.49Å
502	T	94.1	Very high	94.5	Very high	22 Å²	22	57.9 Å²	57.9	14%	0.135	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-14.5	178.4	47.3	0	0	0	0	115	P323 T325 K500	P323-T502 HydrophobicContact CB-CG2 4.29Å; T325-T502 WeakPolarHBondContact OG1-CG2 3.41Å; K500-T502 PolarHBondContact O-N 3.21Å
503	D	95.4	Very high	94.7	Very high	48 Å²	48	53.6 Å²	53.6	26%	0.257	27%	0.269	S	S	.	.	S	Bend	trans	-80.6	144	-163.9	-61.1	-13.1	0	0	0	111.2	K500 I505 P557	K500-D503 WeakPolarHBondContact CB-OD2 3.39Å; K500-D503 PolarHBondContact N-OD2 2.96Å; K500-D503 PolarHBondContact O-N 3.13Å; D503-I505 PolarHBondContact O-N 3.27Å; D503-P557 WeakPolarHBondContact O-CD 3.24Å; D503-P557 WeakPolarHBondContact O-CG 3.39Å
504	P	96.7	Very high	95	Very high	46 Å²	46	51.8 Å²	51.8	30%	0.299	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-57.1	130.1	177.8	-26.7	35.7	0	0	0	112.9	E554 I556	P504-E554 HydrophobicContact CB-CB 4.24Å; P504-E554 HydrophobicContact CB-CG 4.29Å; P504-I556 HydrophobicContact CB-CD1 3.8Å; P504-I556 HydrophobicContact CG-CD1 4.06Å
505	I	97.3	Very high	95.3	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.015	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	116.5	-177.5	-60.1	158.4	0	0	0	109.2	F473 R475 V489 M499 D503 C507 E554 I555 P557	F473-I505 HydrophobicContact CD1-CD1 4.45Å; R475-I505 HydrophobicContact CB-CG2 3.94Å; V489-I505 HydrophobicContact CG2-CG2 3.54Å; M499-I505 HydrophobicContact CE-CG1 4.32Å; D503-I505 PolarHBondContact O-N 3.27Å; I505-C507 PolarHBondContact O-N 3.18Å; I505-E554 CarbonylContact O-C 3.49Å; I505-E554 WeakPolarHBondContact O-CA 3.27Å; I505-I555 HydrophobicContact CB-CB 4.33Å; I505-I555 PolarHBondContact N-O 2.8Å; I505-I555 PolarHBondContact O-N 2.96Å; I505-P557 HydrophobicContact CD1-CG 4.02Å; I505-P557 HydrophobicContact CG1-CG 4.46Å
506	R	96.6	Very high	95.6	Very high	118 Å²	118	43.7 Å²	43.7	45%	0.445	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	124.9	173.2	-63.3	-176.2	74.4	-133.9	-5.7	110	W547 E552 N640	R506-W547 HydrophobicContact CB-CH2 4.27Å; R506-W547 HydrophobicContact CG-CH2 4.45Å; R506-E552 WeakPolarHBondContact CD-OE1 3.37Å; R506-E552 IonicContact CZ-OE1 3.79Å; R506-E552 IonicContact NE-OE1 2.81Å; R506-E552 PolarHBondContact NE-OE1 3.37Å; R506-E552 IonicContact NH2-OE1 3.97Å; R506-N640 PolarHBondContact NH1-O 2.9Å; R506-N640 VanDerWaalsContact NH1-O 3.16Å; R506-N640 PolarHBondContact NH2-O 3.37Å
507	C	97.1	Very high	95.9	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.007	19%	0.185	C	C	.	.			trans	-116.7	108.5	-170	-173	0	0	0	0	111	G476 I505 V509 W547 I553 I555	G476-C507 PolarHBondContact N-SG 3.15Å; G476-C507 VanDerWaalsContact N-SG 3.37Å; I505-C507 PolarHBondContact O-N 3.18Å; C507-V509 PolarHBondContact O-N 2.83Å; C507-V509 PolarHBondContact SG-O 2.91Å; C507-V509 VanDerWaalsContact SG-O 3.35Å; C507-W547 WeakPolarHBondContact O-CZ2 3.2Å; C507-W547 PolarHBondContact O-NE1 3.22Å; C507-I553 HydrophobicContact CB-CB 4.32Å; C507-I553 HydrophobicContact CB-CG2 3.96Å; C507-I553 PolarHBondContact N-O 3.18Å; C507-I553 WeakPolarHBondContact O-CB 3.36Å; C507-I555 HydrophobicContact CB-CD1 3.95Å; C507-I555 HydrophobicContact CB-CG1 4.09Å; C507-I555 VanDerWaalsContact SG-CD1 3.51Å
508	P	97.4	Very high	96.2	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.006	16%	0.164	C	C	.	.	S	Bend	trans	-52.5	-50	179.4	-31.2	36.2	0	0	0	114.4	G476 I477 W547 Y637 V641 F642	G476-P508 WeakPolarHBondContact O-CD 3.47Å; I477-P508 HydrophobicContact CG2-CG 4.49Å; P508-W547 VanDerWaalsContact O-CD1 3.3Å; P508-W547 PolarHBondContact O-NE1 2.96Å; P508-Y637 WeakPolarHBondContact CB-OH 3.33Å; P508-Y637 PolarHBondContact O-OH 3.14Å; P508-V641 HydrophobicContact CB-CG1 4.44Å; P508-F642 HydrophobicContact CB-CB 4.03Å; P508-F642 HydrophobicContact CB-CD1 4.18Å; P508-F642 HydrophobicContact CB-CD2 4.42Å; P508-F642 HydrophobicContact CB-CG 3.96Å; P508-F642 HydrophobicContact CG-CB 4.11Å; P508-F642 HydrophobicContact CG-CD2 3.98Å; P508-F642 HydrophobicContact CG-CG 3.98Å
509	V	97.9	Very high	96.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-135.6	128.7	178	172.3	0	0	0	0	110	G476 F478 F484 C507 M540 S543 F544	G476-V509 CarbonylContact C-O 3.57Å; G476-V509 WeakPolarHBondContact CA-O 3.23Å; G476-V509 PolarHBondContact O-N 2.84Å; G476-V509 VanDerWaalsContact O-N 3.13Å; F478-V509 HydrophobicContact CD1-CG2 3.7Å; F478-V509 HydrophobicContact CE1-CG2 4.47Å; F484-V509 HydrophobicContact CD2-CG1 4.06Å; C507-V509 PolarHBondContact O-N 2.83Å; C507-V509 PolarHBondContact SG-O 2.91Å; C507-V509 VanDerWaalsContact SG-O 3.35Å; V509-M540 HydrophobicContact CG1-CE 3.88Å; V509-M540 HydrophobicContact CG1-SD 3.8Å; V509-M540 HydrophobicContact CG2-SD 4.2Å; V509-S543 WeakPolarHBondContact CA-OG 3.39Å; V509-F544 HydrophobicContact CG2-CE1 4.08Å
510	M	97.3	Very high	96.6	Very high	1 Å²	1	33 Å²	33	1%	0.005	16%	0.164	C	C	.	.			trans	-74	153.4	174.6	66.1	173.5	74.4	0	0	112.4	V452 G512 F515 N539 I542 S543 I546 I553	V452-M510 HydrophobicContact CG1-CE 3.75Å; M510-G512 PolarHBondContact O-N 3.16Å; M510-F515 HydrophobicContact CE-CD2 4.45Å; M510-F515 HydrophobicContact CE-CG 4.45Å; M510-F515 HydrophobicContact SD-CB 4.33Å; M510-F515 HydrophobicContact SD-CD1 3.88Å; M510-F515 HydrophobicContact SD-CD2 4.43Å; M510-F515 HydrophobicContact SD-CE1 4.24Å; M510-F515 HydrophobicContact SD-CG 3.98Å; M510-N539 PolarHBondContact O-ND2 3.45Å; M510-I542 HydrophobicContact CE-CG2 4.13Å; M510-I542 HydrophobicContact CG-CG2 4.42Å; M510-I542 HydrophobicContact SD-CG2 3.86Å; M510-S543 WeakPolarHBondContact CG-OG 3.37Å; M510-S543 PolarHBondContact N-OG 2.73Å; M510-I546 HydrophobicContact CE-CD1 3.57Å; M510-I553 HydrophobicContact CB-CG2 4.28Å; M510-I553 HydrophobicContact CE-CD1 4.07Å; M510-I553 HydrophobicContact CE-CG1 4.4Å; M510-I553 HydrophobicContact CE-CG2 4.15Å
511	A	95.4	Very high	96.8	Very high	32 Å²	32	26.9 Å²	26.9	26%	0.264	14%	0.137	S	C	.	.			trans	-63.6	-19.1	168.1	0	0	0	0	0	112.8	I457 F484 W486 G513	I457-A511 HydrophobicContact CD1-CB 3.98Å; F484-A511 HydrophobicContact CE1-CB 3.9Å; F484-A511 HydrophobicContact CE2-CB 4.26Å; F484-A511 HydrophobicContact CZ-CB 3.62Å; W486-A511 HydrophobicContact CH2-CB 4.35Å; W486-A511 HydrophobicContact CZ2-CB 3.96Å; A511-G513 PolarHBondContact O-N 2.87Å; A511-G513 VanDerWaalsContact O-N 3.07Å
512	G	91.4	Very high	97.1	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.01	12%	0.121	C	C	.	.	S	Bend	trans	79.5	-25.5	174.8	0	0	0	0	0	115.3	R412 M510	R412-G512 VanDerWaalsContact CZ-O 3.3Å; R412-G512 PolarHBondContact NH1-O 2.73Å; R412-G512 PolarHBondContact NH2-O 3.2Å; M510-G512 PolarHBondContact O-N 3.16Å
513	G	93.6	Very high	97.3	Very high	10 Å²	10	27.4 Å²	27.4	10%	0.103	13%	0.133	C	C	.	.	S	Bend	trans	-58.1	-53.9	176.1	0	0	0	0	0	113	R412 A511	R412-G513 PolarHBondContact NH2-O 3.34Å; A511-G513 PolarHBondContact O-N 2.87Å; A511-G513 VanDerWaalsContact O-N 3.07Å
514	L	98.4	Very high	97.4	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.01	14%	0.14	C	C	.	.	S	Bend	trans	-124.7	120.4	-171	-68.3	75.1	0	0	0	111.6	F426 L427 I431 C454 P455 I457 V561	F426-L514 WeakPolarHBondContact O-CA 3.14Å; L427-L514 HydrophobicContact CD2-CB 4.18Å; L427-L514 HydrophobicContact CD2-CD2 3.71Å; L427-L514 HydrophobicContact CD2-CG 3.7Å; I431-L514 HydrophobicContact CG2-CD1 4.34Å; I431-L514 HydrophobicContact CG2-CD2 4.27Å; C454-L514 PolarHBondContact SG-O 2.74Å; C454-L514 VanDerWaalsContact SG-O 3.39Å; P455-L514 HydrophobicContact CG-CB 3.77Å; P455-L514 HydrophobicContact CG-CD2 4Å; I457-L514 HydrophobicContact CD1-CB 4.36Å; I457-L514 HydrophobicContact CD1-CD1 4.24Å; L514-V561 HydrophobicContact CD2-CB 3.61Å; L514-V561 HydrophobicContact CD2-CG1 3.44Å; L514-V561 VanDerWaalsContact CD2-CG1 3.44Å; L514-V561 HydrophobicContact CD2-CG2 4.26Å
515	F	98.8	Very high	97.5	Very high	1 Å²	1	27 Å²	27	0%	0.004	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	164.1	174.1	67.5	-79.4	0	0	0	112.1	T425 F426 V452 P453 M510 I517 Y528	T425-F515 CarbonylContact C-O 3.48Å; T425-F515 WeakPolarHBondContact CA-O 2.95Å; F426-F515 HydrophobicContact CB-CD1 4.2Å; F426-F515 HydrophobicContact CB-CE1 3.97Å; F426-F515 HydrophobicContact CB-CZ 4.47Å; F426-F515 HydrophobicContact CD2-CD1 4.29Å; F426-F515 HydrophobicContact CD2-CD2 4.23Å; F426-F515 AromaticContact CD2-CE1 3.65Å; F426-F515 HydrophobicContact CD2-CE1 3.65Å; F426-F515 AromaticContact CD2-CE2 3.6Å; F426-F515 HydrophobicContact CD2-CE2 3.6Å; F426-F515 AromaticContact CD2-CZ 3.27Å; F426-F515 HydrophobicContact CD2-CZ 3.27Å; F426-F515 HydrophobicContact CE2-CE1 4.45Å; F426-F515 AromaticContact CE2-CE2 3.92Å; F426-F515 HydrophobicContact CE2-CE2 3.92Å; F426-F515 AromaticContact CE2-CZ 3.68Å; F426-F515 HydrophobicContact CE2-CZ 3.68Å; F426-F515 HydrophobicContact CG-CE1 4.04Å; F426-F515 HydrophobicContact CG-CZ 4.08Å; F426-F515 PolarHBondContact N-O 3.23Å; F426-F515 PolarHBondContact O-N 3.42Å; V452-F515 HydrophobicContact CG1-CB 4.49Å; V452-F515 HydrophobicContact CG1-CD2 3.71Å; V452-F515 HydrophobicContact CG1-CE2 4.41Å; V452-F515 HydrophobicContact CG1-CG 4.49Å; P453-F515 WeakPolarHBondContact O-CA 3.33Å; M510-F515 HydrophobicContact CE-CD2 4.45Å; M510-F515 HydrophobicContact CE-CG 4.45Å; M510-F515 HydrophobicContact SD-CB 4.33Å; M510-F515 HydrophobicContact SD-CD1 3.88Å; M510-F515 HydrophobicContact SD-CD2 4.43Å; M510-F515 HydrophobicContact SD-CE1 4.24Å; M510-F515 HydrophobicContact SD-CG 3.98Å; F515-I517 HydrophobicContact CD2-CB 4.39Å; F515-I517 HydrophobicContact CD2-CG2 4.33Å; F515-I517 HydrophobicContact CE2-CB 4.32Å; F515-I517 HydrophobicContact CE2-CG2 3.89Å; F515-Y528 WeakPolarHBondContact CE1-OH 3.38Å; F515-Y528 WeakPolarHBondContact CZ-OH 3.44Å
516	S	98.9	Very high	97.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	148.9	168	-58.7	0	0	0	0	112	L424 T425 V452 P453	L424-S516 CarbonylContact O-C 3.59Å; L424-S516 VanDerWaalsContact O-CA 3.25Å; L424-S516 WeakPolarHBondContact O-CA 3.48Å; T425-S516 WeakPolarHBondContact CB-OG 3.49Å; T425-S516 WeakPolarHBondContact CG2-OG 3.22Å; T425-S516 PolarHBondContact OG1-OG 3.05Å; V452-S516 WeakPolarHBondContact CA-O 3.37Å; V452-S516 WeakPolarHBondContact CG1-O 3.29Å; P453-S516 VanDerWaalsContact CD-O 3.28Å; P453-S516 WeakPolarHBondContact CD-O 3.31Å; P453-S516 PolarHBondContact O-N 2.98Å
517	I	98.9	Very high	97.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	145.5	179.9	-171.8	163.7	0	0	0	111.5	V423 L424 F426 V452 F515 K519 Y521 F522 L525	V423-I517 WeakPolarHBondContact CA-O 3.38Å; V423-I517 WeakPolarHBondContact CG1-O 3.41Å; L424-I517 HydrophobicContact CB-CG2 4.1Å; L424-I517 PolarHBondContact N-O 3.14Å; L424-I517 PolarHBondContact O-N 3.38Å; F426-I517 HydrophobicContact CE2-CG2 4.31Å; V452-I517 HydrophobicContact CG1-CB 4.24Å; V452-I517 HydrophobicContact CG1-CD1 4.35Å; V452-I517 HydrophobicContact CG2-CB 4.45Å; V452-I517 HydrophobicContact CG2-CD1 3.7Å; V452-I517 HydrophobicContact CG2-CG1 3.92Å; F515-I517 HydrophobicContact CD2-CB 4.39Å; F515-I517 HydrophobicContact CD2-CG2 4.33Å; F515-I517 HydrophobicContact CE2-CB 4.32Å; F515-I517 HydrophobicContact CE2-CG2 3.89Å; I517-K519 PolarHBondContact O-N 3.16Å; I517-Y521 HydrophobicContact CD1-CD1 3.97Å; I517-Y521 HydrophobicContact CD1-CE1 4.45Å; I517-Y521 HydrophobicContact CG1-CD1 4.08Å; I517-F522 HydrophobicContact CD1-CB 4.04Å; I517-F522 HydrophobicContact CD1-CD2 4.26Å; I517-F522 HydrophobicContact CG1-CB 4.25Å; I517-F522 HydrophobicContact CG2-CB 3.97Å; I517-F522 HydrophobicContact CG2-CD2 4.19Å; I517-F522 HydrophobicContact CG2-CG 4.3Å; I517-L525 HydrophobicContact CD1-CD1 4.42Å
518	D	98.9	Very high	97.5	Very high	16 Å²	16	22.9 Å²	22.9	9%	0.086	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	126.5	167.2	161.7	-142.5	0	0	0	110	V445 R449 K520 Y521 F522	V445-D518 HydrophobicContact CG1-CB 3.87Å; R449-D518 HydrophobicContact CB-CB 3.88Å; R449-D518 WeakPolarHBondContact CD-OD1 3.35Å; R449-D518 IonicContact CZ-OD1 3.82Å; R449-D518 IonicContact NH1-OD1 3.66Å; R449-D518 PolarHBondContact NH1-OD1 2.81Å; R449-D518 WeakPolarHBondContact O-CB 3.21Å; D518-K520 PolarHBondContact O-N 3.04Å; D518-K520 PolarHBondContact OD2-N 3.23Å; D518-Y521 PolarHBondContact O-N 2.91Å; D518-Y521 WeakPolarHBondContact OD1-CB 3.49Å; D518-Y521 PolarHBondContact OD1-N 2.64Å; D518-F522 PolarHBondContact O-N 2.97Å
519	K	98.8	Very high	97.5	Very high	49 Å²	49	23.1 Å²	23.1	21%	0.213	12%	0.121	C	C	.	.	H	α-helix	trans	-56.7	-38.3	180	-176	179.1	-178.4	-171.8	0	111.2	A416 A419 E422 L424 I517 F523	A416-K519 VanDerWaalsContact O-CE 3.24Å; A416-K519 WeakPolarHBondContact O-CE 3.48Å; A419-K519 PolarHBondContact O-NZ 3.06Å; E422-K519 WeakPolarHBondContact O-CB 3.31Å; E422-K519 PolarHBondContact O-N 3.31Å; L424-K519 HydrophobicContact CD1-CB 4.44Å; L424-K519 HydrophobicContact CD1-CG 4.2Å; L424-K519 HydrophobicContact CD2-CB 4.16Å; L424-K519 HydrophobicContact CD2-CD 4.12Å; L424-K519 HydrophobicContact CD2-CG 3.96Å; L424-K519 HydrophobicContact CG-CB 3.95Å; L424-K519 HydrophobicContact CG-CG 4.05Å; I517-K519 PolarHBondContact O-N 3.16Å; K519-F523 HydrophobicContact CG-CD2 4.12Å; K519-F523 HydrophobicContact CG-CE2 3.95Å; K519-F523 WeakPolarHBondContact O-CD2 3.33Å; K519-F523 PolarHBondContact O-N 2.84Å
520	K	98.6	Very high	97.2	Very high	152 Å²	152	26 Å²	26	66%	0.661	14%	0.14	S	C	*	.	H	α-helix	trans	-68.4	-50.8	179.5	-62.9	172.8	-176.5	169.4	0	110.3	D518 F522 F523 E524	D518-K520 PolarHBondContact O-N 3.04Å; D518-K520 PolarHBondContact OD2-N 3.23Å; K520-F522 VanDerWaalsContact C-N 3.31Å; K520-F522 PolarHBondContact O-N 3.38Å; K520-F523 PolarHBondContact O-N 2.68Å; K520-F523 VanDerWaalsContact O-N 3.08Å; K520-E524 WeakPolarHBondContact O-CG 3.42Å; K520-E524 PolarHBondContact O-N 2.83Å
521	Y	98.8	Very high	97	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.016	15%	0.149	C	C	.	.	H	α-helix	trans	-57.6	-39.5	177.3	-174.3	-131.2	0	0	0	113.1	K450 V452 I517 D518 F523 E524 L525 G551	K450-Y521 HydrophobicContact CB-CD1 4.39Å; K450-Y521 HydrophobicContact CB-CE1 4Å; K450-Y521 HydrophobicContact CB-CE2 4.46Å; K450-Y521 HydrophobicContact CD-CE2 3.96Å; K450-Y521 HydrophobicContact CG-CD1 4.43Å; K450-Y521 HydrophobicContact CG-CD2 4.05Å; K450-Y521 HydrophobicContact CG-CE1 4.25Å; K450-Y521 HydrophobicContact CG-CE2 3.87Å; K450-Y521 HydrophobicContact CG-CG 4.35Å; K450-Y521 WeakPolarHBondContact O-CE1 3.32Å; V452-Y521 HydrophobicContact CG2-CD1 4.48Å; V452-Y521 HydrophobicContact CG2-CE1 4.16Å; I517-Y521 HydrophobicContact CD1-CD1 3.97Å; I517-Y521 HydrophobicContact CD1-CE1 4.45Å; I517-Y521 HydrophobicContact CG1-CD1 4.08Å; D518-Y521 PolarHBondContact O-N 2.91Å; D518-Y521 WeakPolarHBondContact OD1-CB 3.49Å; D518-Y521 PolarHBondContact OD1-N 2.64Å; Y521-F523 VanDerWaalsContact C-N 3.34Å; Y521-F523 PolarHBondContact O-N 3.11Å; Y521-E524 PolarHBondContact O-N 3.31Å; Y521-L525 HydrophobicContact CD1-CD1 4.26Å; Y521-L525 HydrophobicContact CD2-CG 4.2Å; Y521-L525 HydrophobicContact CE1-CD1 3.78Å; Y521-L525 HydrophobicContact CE1-CG 4.38Å; Y521-L525 HydrophobicContact CE2-CD1 4.08Å; Y521-L525 HydrophobicContact CE2-CD2 3.86Å; Y521-L525 HydrophobicContact CE2-CG 3.77Å; Y521-L525 WeakPolarHBondContact O-CG 3.34Å; Y521-L525 PolarHBondContact O-N 3.48Å; Y521-G551 WeakPolarHBondContact OH-CA 3.32Å; Y521-G551 PolarHBondContact OH-N 2.62Å
522	F	98.7	Very high	96.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-57.2	-43.9	174.1	180	-109.3	0	0	0	112.6	L413 A416 L424 F426 I517 D518 K520 A527 Y528	L413-F522 HydrophobicContact CD2-CE1 4.37Å; L413-F522 HydrophobicContact CD2-CZ 4.24Å; A416-F522 HydrophobicContact CB-CD1 4.28Å; A416-F522 HydrophobicContact CB-CE1 3.72Å; L424-F522 HydrophobicContact CD1-CB 4.2Å; L424-F522 HydrophobicContact CD1-CD1 3.58Å; L424-F522 HydrophobicContact CD1-CE1 4.12Å; L424-F522 HydrophobicContact CD1-CG 3.99Å; F426-F522 HydrophobicContact CE2-CE2 4.45Å; F426-F522 HydrophobicContact CZ-CE1 4.46Å; F426-F522 HydrophobicContact CZ-CZ 4.17Å; I517-F522 HydrophobicContact CD1-CB 4.04Å; I517-F522 HydrophobicContact CD1-CD2 4.26Å; I517-F522 HydrophobicContact CG1-CB 4.25Å; I517-F522 HydrophobicContact CG2-CB 3.97Å; I517-F522 HydrophobicContact CG2-CD2 4.19Å; I517-F522 HydrophobicContact CG2-CG 4.3Å; D518-F522 PolarHBondContact O-N 2.97Å; K520-F522 VanDerWaalsContact C-N 3.31Å; K520-F522 PolarHBondContact O-N 3.38Å; F522-A527 HydrophobicContact CD1-CB 4.05Å; F522-A527 HydrophobicContact CE1-CB 3.52Å; F522-A527 HydrophobicContact CE2-CB 4.16Å; F522-A527 HydrophobicContact CZ-CB 3.59Å; F522-A527 VanDerWaalsContact O-CA 3.26Å; F522-A527 WeakPolarHBondContact O-CA 3.08Å; F522-A527 PolarHBondContact O-N 3.02Å; F522-Y528 HydrophobicContact CE2-CD2 4.37Å; F522-Y528 HydrophobicContact CE2-CE2 4.32Å; F522-Y528 HydrophobicContact CZ-CD2 4.14Å; F522-Y528 HydrophobicContact CZ-CE2 4.31Å
523	F	98.4	Very high	96.9	Very high	91 Å²	91	26.1 Å²	26.1	40%	0.399	14%	0.141	S	C	.	.	H	α-helix	trans	-77.9	-27.5	176.5	-72.5	-66.6	0	0	0	113.5	A416 K519 K520 Y521 G526 A527	A416-F523 HydrophobicContact CB-CZ 3.98Å; K519-F523 HydrophobicContact CG-CD2 4.12Å; K519-F523 HydrophobicContact CG-CE2 3.95Å; K519-F523 WeakPolarHBondContact O-CD2 3.33Å; K519-F523 PolarHBondContact O-N 2.84Å; K520-F523 PolarHBondContact O-N 2.68Å; K520-F523 VanDerWaalsContact O-N 3.08Å; Y521-F523 VanDerWaalsContact C-N 3.34Å; Y521-F523 PolarHBondContact O-N 3.11Å; F523-G526 WeakPolarHBondContact O-CA 3.35Å; F523-G526 PolarHBondContact O-N 2.91Å; F523-A527 HydrophobicContact CD1-CB 4.4Å
524	E	98	Very high	96.6	Very high	84 Å²	84	26.3 Å²	26.3	39%	0.393	14%	0.139	S	C	.	.	H	α-helix	trans	-65.4	-36.7	171.2	-72.5	165.4	-128.8	0	0	112.4	R449 K520 Y521 G526	R449-E524 IonicContact CZ-OE1 3.67Å; R449-E524 IonicContact CZ-OE2 3.2Å; R449-E524 IonicContact NH1-OE1 2.73Å; R449-E524 PolarHBondContact NH1-OE1 3.41Å; R449-E524 IonicContact NH1-OE2 3.57Å; R449-E524 VanDerWaalsContact NH2-CD 3.32Å; R449-E524 IonicContact NH2-OE1 3.52Å; R449-E524 PolarHBondContact NH2-OE1 2.81Å; R449-E524 VanDerWaalsContact NH2-OE1 3.11Å; R449-E524 IonicContact NH2-OE2 2.74Å; R449-E524 PolarHBondContact NH2-OE2 3.29Å; K520-E524 WeakPolarHBondContact O-CG 3.42Å; K520-E524 PolarHBondContact O-N 2.83Å; Y521-E524 PolarHBondContact O-N 3.31Å; E524-G526 PolarHBondContact O-N 3.49Å; E524-G526 VanDerWaalsContact O-N 3.14Å
525	L	98.1	Very high	96.2	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.01	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	4	169.1	-69.3	178.7	0	0	0	113.5	I517 Y521 A527 K545 I546 C549 L629	I517-L525 HydrophobicContact CD1-CD1 4.42Å; Y521-L525 HydrophobicContact CD1-CD1 4.26Å; Y521-L525 HydrophobicContact CD2-CG 4.2Å; Y521-L525 HydrophobicContact CE1-CD1 3.78Å; Y521-L525 HydrophobicContact CE1-CG 4.38Å; Y521-L525 HydrophobicContact CE2-CD1 4.08Å; Y521-L525 HydrophobicContact CE2-CD2 3.86Å; Y521-L525 HydrophobicContact CE2-CG 3.77Å; Y521-L525 WeakPolarHBondContact O-CG 3.34Å; Y521-L525 PolarHBondContact O-N 3.48Å; L525-A527 PolarHBondContact O-N 3.25Å; L525-K545 WeakPolarHBondContact O-CE 3.23Å; L525-I546 HydrophobicContact CD1-CG1 3.66Å; L525-C549 HydrophobicContact CD2-CB 3.9Å; L525-L629 HydrophobicContact CD2-CD1 4.36Å
526	G	97.4	Very high	95.8	Very high	29 Å²	29	30.7 Å²	30.7	30%	0.299	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	19.1	-174.7	0	0	0	0	0	113.9	F523 E524	F523-G526 WeakPolarHBondContact O-CA 3.35Å; F523-G526 PolarHBondContact O-N 2.91Å; E524-G526 PolarHBondContact O-N 3.49Å; E524-G526 VanDerWaalsContact O-N 3.14Å
527	A	97.3	Very high	95.5	Very high	4 Å²	4	30.9 Å²	30.9	3%	0.033	16%	0.159	C	C	.	.	S	Bend	trans	51.2	-152.8	-171.5	0	0	0	0	0	112.3	L413 F522 F523 L525 K545	L413-A527 HydrophobicContact CD2-CB 3.42Å; L413-A527 VanDerWaalsContact CD2-CB 3.42Å; F522-A527 HydrophobicContact CD1-CB 4.05Å; F522-A527 HydrophobicContact CE1-CB 3.52Å; F522-A527 HydrophobicContact CE2-CB 4.16Å; F522-A527 HydrophobicContact CZ-CB 3.59Å; F522-A527 VanDerWaalsContact O-CA 3.26Å; F522-A527 WeakPolarHBondContact O-CA 3.08Å; F522-A527 PolarHBondContact O-N 3.02Å; F523-A527 HydrophobicContact CD1-CB 4.4Å; L525-A527 PolarHBondContact O-N 3.25Å; A527-K545 PolarHBondContact O-NZ 2.93Å
528	Y	97.4	Very high	95.4	Very high	1 Å²	1	31.2 Å²	31.2	0%	0.004	16%	0.16	C	C	.	.	S	Bend	trans	-71.8	144.2	167.3	-65	-66.9	0	0	0	111.1	I409 R412 L413 F515 F522 P530 E538 I542	I409-Y528 HydrophobicContact CG2-CD2 4.17Å; I409-Y528 HydrophobicContact CG2-CG 3.96Å; R412-Y528 HydrophobicContact CB-CE2 4.21Å; R412-Y528 PolarHBondContact NH1-OH 3.3Å; L413-Y528 HydrophobicContact CD2-CD2 4.45Å; F515-Y528 WeakPolarHBondContact CE1-OH 3.38Å; F515-Y528 WeakPolarHBondContact CZ-OH 3.44Å; F522-Y528 HydrophobicContact CE2-CD2 4.37Å; F522-Y528 HydrophobicContact CE2-CE2 4.32Å; F522-Y528 HydrophobicContact CZ-CD2 4.14Å; F522-Y528 HydrophobicContact CZ-CE2 4.31Å; Y528-P530 WeakPolarHBondContact O-CD 3.48Å; Y528-E538 HydrophobicContact CD1-CB 3.9Å; Y528-E538 HydrophobicContact CE1-CB 3.85Å; Y528-E538 HydrophobicContact CE1-CG 4.05Å; Y528-E538 WeakPolarHBondContact CE1-O 3.49Å; Y528-I542 HydrophobicContact CD1-CB 4.09Å; Y528-I542 HydrophobicContact CE1-CB 3.7Å; Y528-I542 HydrophobicContact CE1-CG1 4.17Å; Y528-I542 HydrophobicContact CE1-CG2 3.87Å
529	D	96.6	Very high	95.3	Very high	7 Å²	7	31.3 Å²	31.3	4%	0.037	16%	0.161	C	C	.	.			trans	-52.7	115.7	166.7	166.9	31.5	0	0	0	111.5	G531 L532 E541 R587 Q622	D529-G531 PolarHBondContact O-N 2.93Å; D529-G531 PolarHBondContact OD1-N 3.07Å; D529-L532 HydrophobicContact CB-CD1 4.11Å; D529-L532 HydrophobicContact CB-CG 3.92Å; D529-L532 WeakPolarHBondContact O-CB 3.29Å; D529-L532 WeakPolarHBondContact O-CG 3.14Å; D529-L532 PolarHBondContact O-N 3.03Å; D529-L532 VanDerWaalsContact O-N 3.13Å; D529-E541 VanDerWaalsContact CB-OE1 3.22Å; D529-E541 WeakPolarHBondContact CB-OE1 3.49Å; D529-E541 PolarHBondContact N-OE1 3.5Å; D529-R587 VanDerWaalsContact CG-NH2 3.25Å; D529-R587 IonicContact OD1-CZ 3.46Å; D529-R587 IonicContact OD1-NH2 3.05Å; D529-R587 PolarHBondContact OD1-NH2 3.15Å; D529-R587 IonicContact OD2-CZ 3.01Å; D529-R587 IonicContact OD2-NE 2.9Å; D529-R587 PolarHBondContact OD2-NE 3.09Å; D529-R587 IonicContact OD2-NH2 3.34Å; D529-R587 PolarHBondContact OD2-NH2 3.15Å; D529-Q622 HydrophobicContact CB-CG 4.02Å
530	P	92.4	Very high	95.2	Very high	61 Å²	61	29 Å²	29	40%	0.396	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-16.7	-178.1	29	-35.6	0	0	0	112.9	R410 Y528 L532	R410-P530 PolarHBondContact NE-O 2.96Å; R410-P530 PolarHBondContact NH2-O 3.4Å; Y528-P530 WeakPolarHBondContact O-CD 3.48Å; P530-L532 VanDerWaalsContact C-N 3.29Å
531	G	92.4	Very high	95.2	Very high	19 Å²	19	22 Å²	22	20%	0.196	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-8	174.6	0	0	0	0	0	114.6	D529 R583 R587	D529-G531 PolarHBondContact O-N 2.93Å; D529-G531 PolarHBondContact OD1-N 3.07Å; G531-R583 VanDerWaalsContact O-CZ 3.31Å; G531-R583 PolarHBondContact O-NH1 3.16Å; G531-R583 PolarHBondContact O-NH2 2.65Å; G531-R587 WeakPolarHBondContact O-CD 3.36Å; G531-R587 PolarHBondContact O-NE 3.39Å
532	L	93.8	Very high	95.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	-71.3	130.6	166.9	-58.1	173.5	0	0	0	109.6	I409 R410 D529 P530 E538 E541 N584 R587 V588	I409-L532 HydrophobicContact CD1-CB 3.45Å; I409-L532 VanDerWaalsContact CD1-CB 3.45Å; I409-L532 HydrophobicContact CD1-CD1 4.21Å; I409-L532 HydrophobicContact CD1-CG 4.47Å; I409-L532 HydrophobicContact CG2-CB 4.49Å; R410-L532 PolarHBondContact NH2-O 3.47Å; D529-L532 HydrophobicContact CB-CD1 4.11Å; D529-L532 HydrophobicContact CB-CG 3.92Å; D529-L532 WeakPolarHBondContact O-CB 3.29Å; D529-L532 WeakPolarHBondContact O-CG 3.14Å; D529-L532 PolarHBondContact O-N 3.03Å; D529-L532 VanDerWaalsContact O-N 3.13Å; P530-L532 VanDerWaalsContact C-N 3.29Å; L532-E538 HydrophobicContact CD1-CB 4.1Å; L532-E541 HydrophobicContact CD1-CB 4.27Å; L532-E541 HydrophobicContact CD1-CG 4.19Å; L532-N584 HydrophobicContact CD2-CB 3.83Å; L532-R587 HydrophobicContact CD2-CB 4.26Å; L532-V588 HydrophobicContact CD2-CG2 4.4Å
533	D	89.8	Confident	95.2	Very high	17 Å²	17	21.8 Å²	21.8	9%	0.091	12%	0.12	C	C	.	.			trans	-100	134.5	-178	-94.3	-11.5	0	0	0	111.4	R410 W535 K575 T580 N584	R410-D533 IonicContact CZ-OD1 2.77Å; R410-D533 IonicContact NH1-OD1 2.76Å; R410-D533 PolarHBondContact NH1-OD1 2.95Å; R410-D533 IonicContact NH2-OD1 3.57Å; R410-D533 PolarHBondContact NH2-OD1 3.03Å; D533-W535 PolarHBondContact O-N 3.23Å; D533-K575 IonicContact OD2-NZ 3.74Å; D533-K575 PolarHBondContact OD2-NZ 3.35Å; D533-T580 HydrophobicContact CB-CG2 3.83Å; D533-T580 VanDerWaalsContact O-CG2 3.24Å; D533-T580 WeakPolarHBondContact O-CG2 3.43Å; D533-N584 PolarHBondContact N-ND2 3.26Å; D533-N584 PolarHBondContact N-OD1 3.34Å; D533-N584 PolarHBondContact O-ND2 2.9Å
534	V	87.9	Confident	95.2	Very high	13 Å²	13	17.4 Å²	17.4	8%	0.079	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	62.1	-77.8	169.9	-167.4	0	0	0	0	115.8	G407 L408 F573 P574 T580	G407-V534 CarbonylContact C-O 3.57Å; L408-V534 PolarHBondContact N-O 2.77Å; V534-F573 HydrophobicContact CB-CD1 4.22Å; V534-F573 HydrophobicContact CB-CE1 4.16Å; V534-F573 HydrophobicContact CG1-CD1 3.76Å; V534-F573 HydrophobicContact CG1-CE1 3.66Å; V534-F573 HydrophobicContact CG1-CG 4.5Å; V534-F573 HydrophobicContact CG1-CZ 4.32Å; V534-P574 HydrophobicContact CG2-CG 4.29Å; V534-T580 HydrophobicContact CB-CG2 4.17Å; V534-T580 HydrophobicContact CG2-CG2 4.21Å
535	W	90.6	Very high	95.2	Very high	93 Å²	93	13.5 Å²	13.5	35%	0.352	8%	0.082	S	C	.	.	S	Bend	trans	-168.1	148.1	-171.8	177.6	77.8	0	0	0	110.6	D533 E538 F573 V581	D533-W535 PolarHBondContact O-N 3.23Å; W535-E538 PolarHBondContact NE1-OE1 2.93Å; W535-F573 HydrophobicContact CB-CE1 4.32Å; W535-F573 HydrophobicContact CB-CZ 4.24Å; W535-F573 HydrophobicContact CE3-CZ 4.17Å; W535-V581 HydrophobicContact CE3-CG2 4.05Å; W535-V581 HydrophobicContact CZ3-CG2 4.09Å
536	G	89.8	Confident	95.2	Very high	3 Å²	3	13.4 Å²	13.4	3%	0.031	8%	0.082	C	C	.	.	S	Bend	trans	105.9	127.5	173.5	0	0	0	0	0	111.1	E538 N584	G536-E538 VanDerWaalsContact C-N 3.33Å; G536-E538 VanDerWaalsContact CA-OE2 3.23Å; G536-E538 WeakPolarHBondContact CA-OE2 3.33Å; G536-E538 PolarHBondContact N-OE2 2.99Å; G536-N584 WeakPolarHBondContact O-CB 3.26Å; G536-N584 PolarHBondContact O-ND2 3.35Å
537	G	92.9	Very high	95.3	Very high	4 Å²	4	12.3 Å²	12.3	4%	0.041	7%	0.068	C	C	.	.	S	Bend	trans	88.4	-16.8	-179.5	0	0	0	0	0	114.9	N539 M540 E541	G537-N539 VanDerWaalsContact C-N 3.25Å; G537-N539 PolarHBondContact O-N 3.5Å; G537-M540 WeakPolarHBondContact O-CB 3.12Å; G537-M540 PolarHBondContact O-N 2.69Å; G537-M540 VanDerWaalsContact O-N 3.16Å; G537-E541 WeakPolarHBondContact O-CB 3.46Å; G537-E541 PolarHBondContact O-N 3.49Å
538	E	96	Very high	95.4	Very high	6 Å²	6	12.1 Å²	12.1	3%	0.028	7%	0.067	C	C	.	.	H	α-helix	trans	-63.9	-31.1	180	77.8	-74	180	0	0	112.8	I409 Y528 L532 W535 G536 I542	I409-E538 HydrophobicContact CD1-CB 3.82Å; I409-E538 HydrophobicContact CD1-CG 4.37Å; I409-E538 HydrophobicContact CG1-CB 3.91Å; I409-E538 HydrophobicContact CG1-CG 4.05Å; Y528-E538 HydrophobicContact CD1-CB 3.9Å; Y528-E538 HydrophobicContact CE1-CB 3.85Å; Y528-E538 HydrophobicContact CE1-CG 4.05Å; Y528-E538 WeakPolarHBondContact CE1-O 3.49Å; L532-E538 HydrophobicContact CD1-CB 4.1Å; W535-E538 PolarHBondContact NE1-OE1 2.93Å; G536-E538 VanDerWaalsContact C-N 3.33Å; G536-E538 VanDerWaalsContact CA-OE2 3.23Å; G536-E538 WeakPolarHBondContact CA-OE2 3.33Å; G536-E538 PolarHBondContact N-OE2 2.99Å; E538-I542 WeakPolarHBondContact O-CG2 3.1Å; E538-I542 PolarHBondContact O-N 3.1Å
539	N	96.9	Very high	95.4	Very high	18 Å²	18	12.8 Å²	12.8	10%	0.096	7%	0.071	C	C	.	.	H	α-helix	trans	-73.9	-32	177.3	76.1	-56.9	0	0	0	112.4	M510 G537 S543	M510-N539 PolarHBondContact O-ND2 3.45Å; G537-N539 VanDerWaalsContact C-N 3.25Å; G537-N539 PolarHBondContact O-N 3.5Å; N539-S543 VanDerWaalsContact O-CB 3.29Å; N539-S543 WeakPolarHBondContact O-CB 3.38Å; N539-S543 PolarHBondContact O-N 3.37Å; N539-S543 PolarHBondContact O-OG 3.36Å
540	M	98	Very high	95.5	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.01	9%	0.092	C	C	.	.	H	α-helix	trans	-69.4	-49.9	171.2	-60.1	-75.5	155.7	0	0	109.8	F478 L482 F484 V509 G537 I542 S543 F544 L585 V588	F478-M540 HydrophobicContact CB-CE 3.7Å; F478-M540 HydrophobicContact CB-SD 3.75Å; F478-M540 HydrophobicContact CG-SD 4.23Å; L482-M540 HydrophobicContact CB-CG 4.39Å; L482-M540 HydrophobicContact CB-SD 4.32Å; L482-M540 HydrophobicContact CD2-SD 4.45Å; L482-M540 WeakPolarHBondContact O-CE 3.37Å; F484-M540 HydrophobicContact CB-CE 3.68Å; F484-M540 HydrophobicContact CD2-CE 4.49Å; V509-M540 HydrophobicContact CG1-CE 3.88Å; V509-M540 HydrophobicContact CG1-SD 3.8Å; V509-M540 HydrophobicContact CG2-SD 4.2Å; G537-M540 WeakPolarHBondContact O-CB 3.12Å; G537-M540 PolarHBondContact O-N 2.69Å; G537-M540 VanDerWaalsContact O-N 3.16Å; M540-I542 PolarHBondContact O-N 2.97Å; M540-S543 PolarHBondContact O-N 3.22Å; M540-S543 VanDerWaalsContact O-N 3.16Å; M540-F544 HydrophobicContact CB-CE2 4.1Å; M540-F544 HydrophobicContact CB-CZ 4.47Å; M540-F544 WeakPolarHBondContact O-CD2 3.17Å; M540-F544 VanDerWaalsContact O-CG 3.3Å; M540-F544 WeakPolarHBondContact O-CG 3.32Å; M540-F544 PolarHBondContact O-N 3.27Å; M540-F544 HydrophobicContact SD-CZ 4.49Å; M540-L585 HydrophobicContact CG-CD2 4.42Å; M540-V588 HydrophobicContact CB-CG1 4.24Å
541	E	98.2	Very high	95.7	Very high	3 Å²	3	12.2 Å²	12.2	1%	0.014	8%	0.078	C	C	.	.	H	α-helix	trans	-55	-52.9	-178.5	-169.5	-101.8	-170.4	0	0	112.5	D529 L532 G537 S543 F544 K545 V588	D529-E541 VanDerWaalsContact CB-OE1 3.22Å; D529-E541 WeakPolarHBondContact CB-OE1 3.49Å; D529-E541 PolarHBondContact N-OE1 3.5Å; L532-E541 HydrophobicContact CD1-CB 4.27Å; L532-E541 HydrophobicContact CD1-CG 4.19Å; G537-E541 WeakPolarHBondContact O-CB 3.46Å; G537-E541 PolarHBondContact O-N 3.49Å; E541-S543 VanDerWaalsContact C-N 3.3Å; E541-S543 PolarHBondContact O-N 3.03Å; E541-F544 PolarHBondContact O-N 2.8Å; E541-K545 WeakPolarHBondContact O-CB 3.3Å; E541-K545 PolarHBondContact O-N 3.22Å; E541-K545 VanDerWaalsContact OE1-CE 3.27Å; E541-K545 WeakPolarHBondContact OE1-CE 3.38Å; E541-K545 IonicContact OE1-NZ 3.4Å; E541-K545 PolarHBondContact OE1-NZ 3.41Å; E541-K545 IonicContact OE2-NZ 2.78Å; E541-V588 HydrophobicContact CB-CG1 4.41Å; E541-V588 HydrophobicContact CB-CG2 3.7Å; E541-V588 HydrophobicContact CG-CG2 4.12Å
542	I	98.3	Very high	96	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-69.8	-30.6	-179.7	-159.2	62.3	0	0	0	111.6	M510 Y528 E538 M540 K545 I546	M510-I542 HydrophobicContact CE-CG2 4.13Å; M510-I542 HydrophobicContact CG-CG2 4.42Å; M510-I542 HydrophobicContact SD-CG2 3.86Å; Y528-I542 HydrophobicContact CD1-CB 4.09Å; Y528-I542 HydrophobicContact CE1-CB 3.7Å; Y528-I542 HydrophobicContact CE1-CG1 4.17Å; Y528-I542 HydrophobicContact CE1-CG2 3.87Å; E538-I542 WeakPolarHBondContact O-CG2 3.1Å; E538-I542 PolarHBondContact O-N 3.1Å; M540-I542 PolarHBondContact O-N 2.97Å; I542-K545 HydrophobicContact CD1-CB 4.38Å; I542-K545 HydrophobicContact CD1-CD 4.15Å; I542-K545 WeakPolarHBondContact O-CB 3.36Å; I542-K545 PolarHBondContact O-N 3.07Å; I542-I546 HydrophobicContact CG1-CD1 4Å; I542-I546 HydrophobicContact CG1-CG1 4.44Å; I542-I546 VanDerWaalsContact O-CD1 3.3Å; I542-I546 WeakPolarHBondContact O-CD1 3.4Å; I542-I546 WeakPolarHBondContact O-CG1 3.45Å; I542-I546 PolarHBondContact O-N 3.36Å
543	S	98.7	Very high	96.3	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-67	-45.3	177.2	-61.8	0	0	0	0	111.7	V509 M510 N539 M540 E541 I546 W547	V509-S543 WeakPolarHBondContact CA-OG 3.39Å; M510-S543 WeakPolarHBondContact CG-OG 3.37Å; M510-S543 PolarHBondContact N-OG 2.73Å; N539-S543 VanDerWaalsContact O-CB 3.29Å; N539-S543 WeakPolarHBondContact O-CB 3.38Å; N539-S543 PolarHBondContact O-N 3.37Å; N539-S543 PolarHBondContact O-OG 3.36Å; M540-S543 PolarHBondContact O-N 3.22Å; M540-S543 VanDerWaalsContact O-N 3.16Å; E541-S543 VanDerWaalsContact C-N 3.3Å; E541-S543 PolarHBondContact O-N 3.03Å; S543-I546 PolarHBondContact O-N 2.75Å; S543-W547 PolarHBondContact O-N 3.36Å; S543-W547 VanDerWaalsContact O-N 3.1Å
544	F	98.7	Very high	96.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-65.1	-41.9	175.2	-59.4	-27.4	0	0	0	111.1	F478 L482 V509 M540 E541 M548 V588 W592 L593 F634 Y637	F478-F544 HydrophobicContact CD1-CE1 4.49Å; F478-F544 HydrophobicContact CD1-CZ 4.49Å; F478-F544 HydrophobicContact CE1-CE1 4.14Å; F478-F544 HydrophobicContact CE1-CZ 4.24Å; F478-F544 HydrophobicContact CZ-CZ 4.48Å; L482-F544 HydrophobicContact CD2-CE2 4.12Å; L482-F544 HydrophobicContact CD2-CZ 3.96Å; V509-F544 HydrophobicContact CG2-CE1 4.08Å; M540-F544 HydrophobicContact CB-CE2 4.1Å; M540-F544 HydrophobicContact CB-CZ 4.47Å; M540-F544 WeakPolarHBondContact O-CD2 3.17Å; M540-F544 VanDerWaalsContact O-CG 3.3Å; M540-F544 WeakPolarHBondContact O-CG 3.32Å; M540-F544 PolarHBondContact O-N 3.27Å; M540-F544 HydrophobicContact SD-CZ 4.49Å; E541-F544 PolarHBondContact O-N 2.8Å; F544-M548 HydrophobicContact CB-SD 3.89Å; F544-M548 WeakPolarHBondContact O-CB 3.34Å; F544-M548 VanDerWaalsContact O-CG 3.32Å; F544-M548 WeakPolarHBondContact O-CG 3.5Å; F544-M548 PolarHBondContact O-N 3.21Å; F544-V588 HydrophobicContact CD2-CG1 3.75Å; F544-V588 HydrophobicContact CE2-CG1 3.87Å; F544-W592 HydrophobicContact CB-CB 4.03Å; F544-W592 HydrophobicContact CB-CD2 4.1Å; F544-W592 HydrophobicContact CB-CE3 4.13Å; F544-W592 HydrophobicContact CB-CG 4.03Å; F544-W592 HydrophobicContact CD2-CB 3.8Å; F544-W592 HydrophobicContact CD2-CG 4.35Å; F544-W592 HydrophobicContact CG-CB 4.3Å; F544-L593 HydrophobicContact CE2-CD2 4.04Å; F544-L593 HydrophobicContact CZ-CD2 4.33Å; F544-F634 HydrophobicContact CD1-CE2 4.07Å; F544-F634 AromaticContact CE1-CE2 3.79Å; F544-F634 HydrophobicContact CE1-CE2 3.79Å; F544-F634 HydrophobicContact CE1-CZ 4.34Å; F544-F634 HydrophobicContact CE2-CE2 4.35Å; F544-F634 HydrophobicContact CG-CE2 4.49Å; F544-F634 AromaticContact CZ-CE2 3.94Å; F544-F634 HydrophobicContact CZ-CE2 3.94Å; F544-F634 HydrophobicContact CZ-CZ 4.3Å; F544-Y637 HydrophobicContact CD1-CE1 4.4Å; F544-Y637 HydrophobicContact CD1-CE2 4.08Å; F544-Y637 HydrophobicContact CE1-CE1 4.04Å; F544-Y637 HydrophobicContact CE1-CE2 4.37Å; F544-Y637 AromaticContact CE1-CZ 3.85Å
545	K	98.3	Very high	97.2	Very high	1 Å²	1	12.4 Å²	12.4	0%	0.004	7%	0.073	C	C	.	.	H	α-helix	trans	-52.9	-55.8	170.7	-86.8	177.5	163.9	167.8	0	112.4	L525 A527 E541 I542 C549 W592	L525-K545 WeakPolarHBondContact O-CE 3.23Å; A527-K545 PolarHBondContact O-NZ 2.93Å; E541-K545 WeakPolarHBondContact O-CB 3.3Å; E541-K545 PolarHBondContact O-N 3.22Å; E541-K545 VanDerWaalsContact OE1-CE 3.27Å; E541-K545 WeakPolarHBondContact OE1-CE 3.38Å; E541-K545 IonicContact OE1-NZ 3.4Å; E541-K545 PolarHBondContact OE1-NZ 3.41Å; E541-K545 IonicContact OE2-NZ 2.78Å; I542-K545 HydrophobicContact CD1-CB 4.38Å; I542-K545 HydrophobicContact CD1-CD 4.15Å; I542-K545 WeakPolarHBondContact O-CB 3.36Å; I542-K545 PolarHBondContact O-N 3.07Å; K545-C549 WeakPolarHBondContact O-CB 3.37Å; K545-C549 PolarHBondContact O-N 3.3Å; K545-C549 PolarHBondContact O-SG 2.85Å; K545-W592 HydrophobicContact CB-CH2 4.38Å; K545-W592 HydrophobicContact CB-CZ2 4.44Å; K545-W592 HydrophobicContact CD-CZ2 4.17Å; K545-W592 HydrophobicContact CG-CH2 3.55Å; K545-W592 HydrophobicContact CG-CZ2 3.27Å; K545-W592 HydrophobicContact CG-CZ3 4.38Å
546	I	98.7	Very high	97.6	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-59	-56.4	-176.2	-67.7	156.9	0	0	0	110.3	V452 M510 L525 I542 S543 G550 G551 I553	V452-I546 HydrophobicContact CB-CD1 3.94Å; V452-I546 HydrophobicContact CB-CG2 4.48Å; V452-I546 HydrophobicContact CG1-CD1 3.82Å; V452-I546 HydrophobicContact CG2-CD1 3.7Å; V452-I546 HydrophobicContact CG2-CG1 3.97Å; V452-I546 HydrophobicContact CG2-CG2 3.9Å; M510-I546 HydrophobicContact CE-CD1 3.57Å; L525-I546 HydrophobicContact CD1-CG1 3.66Å; I542-I546 HydrophobicContact CG1-CD1 4Å; I542-I546 HydrophobicContact CG1-CG1 4.44Å; I542-I546 VanDerWaalsContact O-CD1 3.3Å; I542-I546 WeakPolarHBondContact O-CD1 3.4Å; I542-I546 WeakPolarHBondContact O-CG1 3.45Å; I542-I546 PolarHBondContact O-N 3.36Å; S543-I546 PolarHBondContact O-N 2.75Å; I546-G550 PolarHBondContact O-N 2.81Å; I546-G551 CarbonylContact O-C 3.6Å; I546-G551 WeakPolarHBondContact O-CA 3.35Å; I546-G551 PolarHBondContact O-N 3.05Å; I546-I553 HydrophobicContact CB-CD1 4.38Å; I546-I553 HydrophobicContact CB-CG1 4.12Å; I546-I553 HydrophobicContact CD1-CD1 4.22Å; I546-I553 HydrophobicContact CD1-CG1 4.12Å; I546-I553 HydrophobicContact CG2-CD1 4.5Å; I546-I553 HydrophobicContact CG2-CG1 3.72Å
547	W	98.7	Very high	97.9	Very high	6 Å²	6	8.3 Å²	8.3	2%	0.023	6%	0.057	C	C	.	.	H	α-helix	trans	-65.4	-50.8	-175.8	-78.2	119.9	0	0	0	113	R506 C507 P508 S543 C549 G550 E552 I553 W636 Y637 V641	R506-W547 HydrophobicContact CB-CH2 4.27Å; R506-W547 HydrophobicContact CG-CH2 4.45Å; C507-W547 WeakPolarHBondContact O-CZ2 3.2Å; C507-W547 PolarHBondContact O-NE1 3.22Å; P508-W547 VanDerWaalsContact O-CD1 3.3Å; P508-W547 PolarHBondContact O-NE1 2.96Å; S543-W547 PolarHBondContact O-N 3.36Å; S543-W547 VanDerWaalsContact O-N 3.1Å; W547-C549 VanDerWaalsContact C-N 3.32Å; W547-C549 PolarHBondContact O-N 2.87Å; W547-G550 PolarHBondContact O-N 2.85Å; W547-E552 HydrophobicContact CE3-CB 4.35Å; W547-E552 HydrophobicContact CH2-CB 3.94Å; W547-E552 HydrophobicContact CH2-CG 3.48Å; W547-E552 VanDerWaalsContact CH2-CG 3.48Å; W547-E552 VanDerWaalsContact CH2-OE1 3.23Å; W547-E552 WeakPolarHBondContact CH2-OE1 3.31Å; W547-E552 HydrophobicContact CZ2-CG 4.37Å; W547-E552 HydrophobicContact CZ3-CB 3.63Å; W547-E552 HydrophobicContact CZ3-CG 3.68Å; W547-E552 WeakPolarHBondContact CZ3-OE1 3.43Å; W547-I553 HydrophobicContact CZ2-CB 4.09Å; W547-I553 HydrophobicContact CZ2-CG1 4.5Å; W547-I553 WeakPolarHBondContact CZ2-O 3.3Å; W547-W636 WeakPolarHBondContact O-CZ3 3.46Å; W547-Y637 HydrophobicContact CB-CD2 3.86Å; W547-Y637 HydrophobicContact CB-CE2 4.12Å; W547-Y637 AromaticContact CD1-CE2 3.83Å; W547-Y637 HydrophobicContact CG-CD2 4.31Å; W547-Y637 HydrophobicContact CG-CE2 4.13Å; W547-V641 HydrophobicContact CB-CG2 4.21Å; W547-V641 HydrophobicContact CD2-CB 4.41Å; W547-V641 HydrophobicContact CD2-CG1 3.57Å; W547-V641 HydrophobicContact CD2-CG2 3.88Å; W547-V641 VanDerWaalsContact CE2-CG1 3.43Å; W547-V641 HydrophobicContact CE3-CG1 4.18Å; W547-V641 HydrophobicContact CE3-CG2 3.84Å; W547-V641 HydrophobicContact CG-CG1 3.8Å; W547-V641 HydrophobicContact CG-CG2 4.09Å; W547-V641 HydrophobicContact CH2-CG1 4.46Å; W547-V641 HydrophobicContact CZ2-CG1 3.91Å; W547-V641 HydrophobicContact CZ3-CG2 4.48Å
548	M	98.7	Very high	98.1	Very high	1 Å²	1	8.2 Å²	8.2	1%	0.005	6%	0.056	C	C	.	.	H	α-helix	trans	-72.7	-27.6	-172.9	-61.9	166.1	63.6	0	0	111.6	F544 G550 W592 R626 C631 K632 F634 Y637	F544-M548 HydrophobicContact CB-SD 3.89Å; F544-M548 WeakPolarHBondContact O-CB 3.34Å; F544-M548 VanDerWaalsContact O-CG 3.32Å; F544-M548 WeakPolarHBondContact O-CG 3.5Å; F544-M548 PolarHBondContact O-N 3.21Å; M548-G550 VanDerWaalsContact C-N 3.3Å; M548-W592 HydrophobicContact CB-CZ3 4.34Å; M548-W592 HydrophobicContact CE-CE3 4Å; M548-W592 WeakPolarHBondContact CE-O 3.28Å; M548-W592 HydrophobicContact SD-CE3 3.88Å; M548-R626 VanDerWaalsContact CE-NH2 3.32Å; M548-C631 HydrophobicContact CB-CB 4.27Å; M548-C631 CarbonylContact O-C 3.59Å; M548-C631 WeakPolarHBondContact O-CA 3.19Å; M548-C631 WeakPolarHBondContact O-CB 3.46Å; M548-K632 WeakPolarHBondContact CE-O 3.36Å; M548-K632 WeakPolarHBondContact O-CG 3.41Å; M548-K632 PolarHBondContact O-N 2.75Å; M548-F634 HydrophobicContact CE-CB 4.4Å; M548-F634 HydrophobicContact CE-CD2 4.44Å; M548-F634 HydrophobicContact SD-CD2 4.1Å; M548-Y637 HydrophobicContact CG-CD2 4.34Å; M548-Y637 HydrophobicContact CG-CG 4.44Å
549	C	98.5	Very high	98.2	Very high	14 Å²	14	7.9 Å²	7.9	10%	0.095	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	18.1	175.3	-47.7	0	0	0	0	113.1	L525 K545 W547 L629 C631	L525-C549 HydrophobicContact CD2-CB 3.9Å; K545-C549 WeakPolarHBondContact O-CB 3.37Å; K545-C549 PolarHBondContact O-N 3.3Å; K545-C549 PolarHBondContact O-SG 2.85Å; W547-C549 VanDerWaalsContact C-N 3.32Å; W547-C549 PolarHBondContact O-N 2.87Å; C549-L629 HydrophobicContact CB-CB 4.36Å; C549-L629 HydrophobicContact CB-CD1 4.36Å; C549-C631 HydrophobicContact CB-CB 4.02Å; C549-C631 WeakPolarHBondContact CB-SG 3.43Å; C549-C631 WeakPolarHBondContact SG-CB 3.47Å; C549-C631 CovalentContact SG-SG 2.04Å; C549-C631 PolarHBondContact SG-SG 3.02Å
550	G	97.4	Very high	98.2	Very high	45 Å²	45	7.1 Å²	7.1	46%	0.464	5%	0.05	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	42	165.2	0	0	0	0	0	115	K450 I546 W547 M548	K450-G550 WeakPolarHBondContact CD-O 3.36Å; K450-G550 PolarHBondContact NZ-O 3.01Å; K450-G550 VanDerWaalsContact NZ-O 3.08Å; I546-G550 PolarHBondContact O-N 2.81Å; W547-G550 PolarHBondContact O-N 2.85Å; M548-G550 VanDerWaalsContact C-N 3.3Å
551	G	98.4	Very high	98.3	Very high	11 Å²	11	7 Å²	7	11%	0.113	5%	0.049	C	C	.	.			trans	-118.5	-166.5	156.2	0	0	0	0	0	111.1	K450 Y521 I546	K450-G551 WeakPolarHBondContact O-CA 3.38Å; Y521-G551 WeakPolarHBondContact OH-CA 3.32Å; Y521-G551 PolarHBondContact OH-N 2.62Å; I546-G551 CarbonylContact O-C 3.6Å; I546-G551 WeakPolarHBondContact O-CA 3.35Å; I546-G551 PolarHBondContact O-N 3.05Å
552	E	98.6	Very high	98.3	Very high	40 Å²	40	6.9 Å²	6.9	19%	0.187	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	142.2	-170.5	165.9	149.1	-105.7	0	0	112.2	K450 K451 V452 R506 W547 E554	K450-E552 PolarHBondContact O-N 3.12Å; K450-E552 VanDerWaalsContact O-N 3.09Å; K451-E552 CarbonylContact C-O 3.53Å; K451-E552 WeakPolarHBondContact CA-O 3.4Å; K451-E552 HydrophobicContact CG-CB 4.39Å; K451-E552 IonicContact NZ-OE2 2.8Å; K451-E552 PolarHBondContact NZ-OE2 3.22Å; V452-E552 PolarHBondContact N-O 2.91Å; R506-E552 WeakPolarHBondContact CD-OE1 3.37Å; R506-E552 IonicContact CZ-OE1 3.79Å; R506-E552 IonicContact NE-OE1 2.81Å; R506-E552 PolarHBondContact NE-OE1 3.37Å; R506-E552 IonicContact NH2-OE1 3.97Å; W547-E552 HydrophobicContact CE3-CB 4.35Å; W547-E552 HydrophobicContact CH2-CB 3.94Å; W547-E552 HydrophobicContact CH2-CG 3.48Å; W547-E552 VanDerWaalsContact CH2-CG 3.48Å; W547-E552 VanDerWaalsContact CH2-OE1 3.23Å; W547-E552 WeakPolarHBondContact CH2-OE1 3.31Å; W547-E552 HydrophobicContact CZ2-CG 4.37Å; W547-E552 HydrophobicContact CZ3-CB 3.63Å; W547-E552 HydrophobicContact CZ3-CG 3.68Å; W547-E552 WeakPolarHBondContact CZ3-OE1 3.43Å; E552-E554 HydrophobicContact CG-CG 3.93Å
553	I	98.8	Very high	98.3	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	126.8	176.2	-46.9	173.9	0	0	0	108.9	C507 M510 I546 W547	C507-I553 HydrophobicContact CB-CB 4.32Å; C507-I553 HydrophobicContact CB-CG2 3.96Å; C507-I553 PolarHBondContact N-O 3.18Å; C507-I553 WeakPolarHBondContact O-CB 3.36Å; M510-I553 HydrophobicContact CB-CG2 4.28Å; M510-I553 HydrophobicContact CE-CD1 4.07Å; M510-I553 HydrophobicContact CE-CG1 4.4Å; M510-I553 HydrophobicContact CE-CG2 4.15Å; I546-I553 HydrophobicContact CB-CD1 4.38Å; I546-I553 HydrophobicContact CB-CG1 4.12Å; I546-I553 HydrophobicContact CD1-CD1 4.22Å; I546-I553 HydrophobicContact CD1-CG1 4.12Å; I546-I553 HydrophobicContact CG2-CD1 4.5Å; I546-I553 HydrophobicContact CG2-CG1 3.72Å; W547-I553 HydrophobicContact CZ2-CB 4.09Å; W547-I553 HydrophobicContact CZ2-CG1 4.5Å; W547-I553 WeakPolarHBondContact CZ2-O 3.3Å
554	E	98.4	Very high	98.2	Very high	9 Å²	9	8 Å²	8	4%	0.042	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	136.2	-178.7	-62.6	179.2	155.7	0	0	110.4	R444 K451 V452 P453 C454 P504 I505 E552 I556	R444-E554 IonicContact CZ-OE1 2.87Å; R444-E554 IonicContact CZ-OE2 3.51Å; R444-E554 VanDerWaalsContact CZ-OE2 3.31Å; R444-E554 IonicContact NE-OE1 2.72Å; R444-E554 IonicContact NE-OE2 3.04Å; R444-E554 PolarHBondContact NE-OE2 3.29Å; R444-E554 VanDerWaalsContact NH2-CD 3.33Å; R444-E554 IonicContact NH2-OE1 3.28Å; R444-E554 PolarHBondContact NH2-OE1 3.2Å; R444-E554 IonicContact NH2-OE2 2.88Å; R444-E554 PolarHBondContact NH2-OE2 2.79Å; K451-E554 IonicContact NZ-OE1 2.71Å; K451-E554 PolarHBondContact NZ-OE1 3.45Å; V452-E554 PolarHBondContact O-N 3.21Å; P453-E554 CarbonylContact C-O 3.5Å; P453-E554 VanDerWaalsContact CA-O 3.32Å; P453-E554 WeakPolarHBondContact CA-O 3.22Å; C454-E554 PolarHBondContact N-O 3.17Å; P504-E554 HydrophobicContact CB-CB 4.24Å; P504-E554 HydrophobicContact CB-CG 4.29Å; I505-E554 CarbonylContact O-C 3.49Å; I505-E554 WeakPolarHBondContact O-CA 3.27Å; E552-E554 HydrophobicContact CG-CG 3.93Å; E554-I556 HydrophobicContact CB-CD1 3.69Å
555	I	98.5	Very high	97.8	Very high	5 Å²	5	12.1 Å²	12.1	3%	0.026	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	131.2	161.9	-68.8	156.5	0	0	0	107.9	C454 V456 R475 W486 I505 C507 P557	C454-I555 HydrophobicContact CB-CG1 4.09Å; C454-I555 WeakPolarHBondContact O-CA 3.2Å; V456-I555 HydrophobicContact CG2-CG2 3.67Å; R475-I555 HydrophobicContact CB-CD1 4.39Å; W486-I555 HydrophobicContact CZ3-CD1 3.83Å; I505-I555 HydrophobicContact CB-CB 4.33Å; I505-I555 PolarHBondContact N-O 2.8Å; I505-I555 PolarHBondContact O-N 2.96Å; C507-I555 HydrophobicContact CB-CD1 3.95Å; C507-I555 HydrophobicContact CB-CG1 4.09Å; C507-I555 VanDerWaalsContact SG-CD1 3.51Å; I555-P557 WeakPolarHBondContact O-CD 3.46Å
556	I	98.2	Very high	97.3	Very high	7 Å²	7	14.3 Å²	14.3	4%	0.036	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	103	-172.8	-51.5	-53.4	0	0	0	109.8	P440 L441 R444 P453 C454 P504 E554 C558 S559	P440-I556 HydrophobicContact CB-CG2 3.83Å; L441-I556 HydrophobicContact CD2-CB 4.26Å; L441-I556 HydrophobicContact CD2-CG1 4.1Å; R444-I556 HydrophobicContact CG-CD1 3.67Å; R444-I556 HydrophobicContact CG-CG1 4.07Å; P453-I556 HydrophobicContact CB-CD1 4.22Å; P453-I556 HydrophobicContact CB-CG1 3.67Å; C454-I556 PolarHBondContact O-N 2.96Å; P504-I556 HydrophobicContact CB-CD1 3.8Å; P504-I556 HydrophobicContact CG-CD1 4.06Å; E554-I556 HydrophobicContact CB-CD1 3.69Å; I556-C558 PolarHBondContact O-N 3.28Å; I556-S559 PolarHBondContact O-N 2.83Å
557	P	97.3	Very high	96.1	Very high	3 Å²	3	17.7 Å²	17.7	2%	0.019	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	-20.4	-170.7	-26.2	36.1	0	0	0	116.1	V501 D503 I505 I555 R560	V501-P557 WeakPolarHBondContact O-CB 3.48Å; V501-P557 WeakPolarHBondContact O-CG 3.49Å; D503-P557 WeakPolarHBondContact O-CD 3.24Å; D503-P557 WeakPolarHBondContact O-CG 3.39Å; I505-P557 HydrophobicContact CD1-CG 4.02Å; I505-P557 HydrophobicContact CG1-CG 4.46Å; I555-P557 WeakPolarHBondContact O-CD 3.46Å; P557-R560 PolarHBondContact O-NE 3.21Å; P557-R560 PolarHBondContact O-NH2 3.42Å
558	C	96.9	Very high	94.8	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.007	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-13.3	175.9	-62.4	0	0	0	0	114.1	R322 C326 N329 P440 I556	R322-C558 VanDerWaalsContact CD-O 3.26Å; R322-C558 WeakPolarHBondContact CD-O 3.45Å; C326-C558 VanDerWaalsContact CA-SG 3.59Å; C326-C558 HydrophobicContact CB-CB 3.58Å; C326-C558 WeakPolarHBondContact CB-SG 3.38Å; C326-C558 WeakPolarHBondContact SG-CA 3Å; C326-C558 WeakPolarHBondContact SG-CB 3.41Å; C326-C558 CovalentContact SG-SG 2.03Å; C326-C558 PolarHBondContact SG-SG 3.37Å; N329-C558 PolarHBondContact ND2-SG 3.11Å; P440-C558 HydrophobicContact CB-CB 4.31Å; P440-C558 HydrophobicContact CG-CB 4.28Å; I556-C558 PolarHBondContact O-N 3.28Å
559	S	98.1	Very high	93.6	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	122.2	168.3	-177.8	0	0	0	0	109.1	W437 L441 P455 V456 I556	W437-S559 VanDerWaalsContact O-CB 3.26Å; W437-S559 WeakPolarHBondContact O-CB 3.45Å; W437-S559 PolarHBondContact O-OG 3.43Å; L441-S559 WeakPolarHBondContact CD1-OG 3.33Å; L441-S559 WeakPolarHBondContact CD2-OG 3.35Å; L441-S559 VanDerWaalsContact CG-OG 3.32Å; L441-S559 WeakPolarHBondContact CG-OG 3.48Å; P455-S559 WeakPolarHBondContact CA-O 3.32Å; P455-S559 WeakPolarHBondContact CB-OG 3.12Å; V456-S559 PolarHBondContact N-O 2.62Å; I556-S559 PolarHBondContact O-N 2.83Å
560	R	97.9	Very high	92.5	Very high	1 Å²	1	27 Å²	27	0%	0.004	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	133.3	-175.3	-58.9	-160.6	166.2	-134.5	-0.6	111.4	T321 R322 N434 V456 E458 N472 P557	T321-R560 WeakPolarHBondContact O-CD 3.07Å; T321-R560 PolarHBondContact O-NE 2.92Å; T321-R560 PolarHBondContact O-NH1 3.37Å; T321-R560 WeakPolarHBondContact OG1-CD 3.46Å; R322-R560 HydrophobicContact CG-CG 4.17Å; N434-R560 HydrophobicContact CB-CB 4.05Å; N434-R560 VanDerWaalsContact CB-O 3.31Å; N434-R560 WeakPolarHBondContact CB-O 3.37Å; N434-R560 PolarHBondContact N-O 3.1Å; V456-R560 HydrophobicContact CB-CG 4.28Å; V456-R560 WeakPolarHBondContact O-CA 3.38Å; E458-R560 HydrophobicContact CG-CB 4.21Å; E458-R560 VanDerWaalsContact OE1-CD 3.29Å; E458-R560 WeakPolarHBondContact OE1-CD 3.35Å; E458-R560 IonicContact OE1-CZ 2.87Å; E458-R560 IonicContact OE1-NE 3.68Å; E458-R560 IonicContact OE1-NH1 3.68Å; E458-R560 PolarHBondContact OE1-NH1 2.93Å; E458-R560 IonicContact OE2-NH1 2.8Å; N472-R560 PolarHBondContact OD1-NH2 3.28Å; P557-R560 PolarHBondContact O-NE 3.21Å; P557-R560 PolarHBondContact O-NH2 3.42Å
561	V	98.6	Very high	91.6	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	122.4	179.2	-176.2	0	0	0	0	108.8	I431 W437 P455 V456 I457 E458 L514	I431-V561 HydrophobicContact CB-CG1 3.85Å; I431-V561 HydrophobicContact CD1-CG1 4.11Å; I431-V561 HydrophobicContact CG1-CG1 4.33Å; I431-V561 HydrophobicContact CG2-CG1 4.38Å; W437-V561 HydrophobicContact CB-CG2 4.47Å; W437-V561 HydrophobicContact CD2-CG2 4.28Å; W437-V561 HydrophobicContact CE3-CG2 3.68Å; W437-V561 HydrophobicContact CZ3-CG2 4.35Å; P455-V561 HydrophobicContact CB-CB 4.39Å; P455-V561 HydrophobicContact CB-CG2 3.91Å; P455-V561 HydrophobicContact CG-CB 4.37Å; P455-V561 HydrophobicContact CG-CG2 4.06Å; V456-V561 PolarHBondContact O-N 3.22Å; V456-V561 VanDerWaalsContact O-N 3.08Å; I457-V561 CarbonylContact C-O 3.53Å; I457-V561 WeakPolarHBondContact CA-O 3.5Å; E458-V561 PolarHBondContact N-O 3.1Å; L514-V561 HydrophobicContact CD2-CB 3.61Å; L514-V561 HydrophobicContact CD2-CG1 3.44Å; L514-V561 VanDerWaalsContact CD2-CG1 3.44Å; L514-V561 HydrophobicContact CD2-CG2 4.26Å
562	G	98.4	Very high	90.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	144.1	173.3	0	0	0	0	0	112.1	I431 E432 E458 I460 Y467	I431-G562 CarbonylContact C-O 3.59Å; I431-G562 WeakPolarHBondContact CA-O 3.45Å; I431-G562 VanDerWaalsContact CB-O 3.25Å; I431-G562 WeakPolarHBondContact CB-O 3.46Å; E432-G562 PolarHBondContact N-O 2.88Å; E432-G562 PolarHBondContact O-N 2.94Å; E458-G562 CarbonylContact O-C 3.51Å; E458-G562 WeakPolarHBondContact O-CA 3.38Å; I460-G562 VanDerWaalsContact CD1-C 3.5Å; Y467-G562 PolarHBondContact OH-N 2.84Å; Y467-G562 VanDerWaalsContact OH-N 3.17Å
563	H	98.3	Very high	89.3	Confident	21 Å²	21	35.1 Å²	35.1	10%	0.097	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	138.1	179.5	-176.9	-80.6	0	0	0	111.1	D428 H430 I431 I457 E458 I460 F565	D428-H563 IonicContact OD2-CD2 2.73Å; D428-H563 IonicContact OD2-CE1 2.69Å; D428-H563 IonicContact OD2-NE2 3.78Å; D428-H563 PolarHBondContact OD2-NE2 2.93Å; H430-H563 AromaticContact CD2-CE1 3.58Å; H430-H563 AromaticContact CD2-NE2 3.55Å; H430-H563 AromaticContact NE2-CE1 3.36Å; H430-H563 PolarHBondContact NE2-CE1 2.76Å; H430-H563 AromaticContact NE2-NE2 3.27Å; H430-H563 PolarHBondContact NE2-NE2 2.76Å; I431-H563 HydrophobicContact CG2-CB 4.35Å; I457-H563 HydrophobicContact CG2-CB 3.55Å; E458-H563 PolarHBondContact O-N 3.31Å; I460-H563 PolarHBondContact N-O 2.9Å; H563-F565 HydrophobicContact CB-CD2 4.29Å; H563-F565 HydrophobicContact CB-CE2 3.94Å; H563-F565 HydrophobicContact CB-CZ 4.47Å; H563-F565 AromaticContact ND1-CD2 3.96Å; H563-F565 AromaticContact ND1-CG 4Å; H563-F565 VanDerWaalsContact O-CD2 3.32Å; H563-F565 WeakPolarHBondContact O-CD2 3.43Å; H563-F565 PolarHBondContact O-N 3.15Å; H563-F565 VanDerWaalsContact O-N 3.14Å
564	I	97.6	Very high	88.1	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	93	175.2	-57.2	174.9	0	0	0	109.5	F304 T351 H430 I460 M465 R566	F304-I564 HydrophobicContact CB-CG2 3.9Å; F304-I564 HydrophobicContact CD1-CG2 4.04Å; F304-I564 HydrophobicContact CD2-CD1 4.49Å; F304-I564 HydrophobicContact CD2-CG2 4.42Å; F304-I564 HydrophobicContact CE2-CD1 4.34Å; F304-I564 HydrophobicContact CG-CG2 3.88Å; T351-I564 HydrophobicContact CG2-CD1 3.49Å; T351-I564 VanDerWaalsContact CG2-CD1 3.49Å; H430-I564 HydrophobicContact CB-CB 4.35Å; H430-I564 HydrophobicContact CB-CD1 4.19Å; H430-I564 HydrophobicContact CB-CG1 4.46Å; H430-I564 PolarHBondContact O-N 3.04Å; H430-I564 VanDerWaalsContact O-N 3.11Å; I460-I564 HydrophobicContact CB-CG1 3.8Å; I460-I564 HydrophobicContact CD1-CG1 4.24Å; I460-I564 HydrophobicContact CG2-CD1 4.5Å; I460-I564 HydrophobicContact CG2-CG1 3.77Å; M465-I564 HydrophobicContact CE-CD1 3.7Å; I564-R566 HydrophobicContact CG2-CG 4.42Å; I564-R566 PolarHBondContact O-N 2.97Å
565	F	90.5	Very high	86.9	Confident	88 Å²	88	44.6 Å²	44.6	39%	0.386	23%	0.229	S	C	.	.			trans	-71.1	108.6	176.1	-73.2	-90.3	0	0	0	111.1	I457 V459 H563	I457-F565 HydrophobicContact CB-CZ 4.49Å; I457-F565 HydrophobicContact CG2-CE2 3.87Å; I457-F565 HydrophobicContact CG2-CZ 3.68Å; V459-F565 HydrophobicContact CB-CD2 4.22Å; V459-F565 HydrophobicContact CB-CE2 4.47Å; V459-F565 HydrophobicContact CG1-CD2 4.01Å; V459-F565 HydrophobicContact CG2-CD2 3.89Å; V459-F565 HydrophobicContact CG2-CE2 3.87Å; H563-F565 HydrophobicContact CB-CD2 4.29Å; H563-F565 HydrophobicContact CB-CE2 3.94Å; H563-F565 HydrophobicContact CB-CZ 4.47Å; H563-F565 AromaticContact ND1-CD2 3.96Å; H563-F565 AromaticContact ND1-CG 4Å; H563-F565 VanDerWaalsContact O-CD2 3.32Å; H563-F565 WeakPolarHBondContact O-CD2 3.43Å; H563-F565 PolarHBondContact O-N 3.15Å; H563-F565 VanDerWaalsContact O-N 3.14Å
566	R	86.3	Confident	86.1	Confident	46 Å²	46	48.6 Å²	48.6	17%	0.174	25%	0.251	C	S	.	.			trans	-90.5	136.8	-177.1	-61.7	160.4	-171.4	-161.6	-2.1	111.4	G302 H303 F304 E347 H430 I564 Q568 Y571	G302-R566 WeakPolarHBondContact O-CD 3.32Å; G302-R566 PolarHBondContact O-NE 3.39Å; H303-R566 HydrophobicContact CB-CB 4.35Å; F304-R566 HydrophobicContact CD1-CG 4.35Å; E347-R566 IonicContact OE1-CZ 3.92Å; E347-R566 IonicContact OE1-NH1 3.79Å; E347-R566 IonicContact OE1-NH2 2.68Å; E347-R566 PolarHBondContact OE1-NH2 2.98Å; E347-R566 IonicContact OE2-NH2 3.39Å; E347-R566 PolarHBondContact OE2-NH2 2.72Å; H430-R566 PolarHBondContact ND1-NH2 3.25Å; H430-R566 VanDerWaalsContact ND1-NH2 3.13Å; I564-R566 HydrophobicContact CG2-CG 4.42Å; I564-R566 PolarHBondContact O-N 2.97Å; R566-Q568 VanDerWaalsContact CB-O 3.31Å; R566-Q568 WeakPolarHBondContact CB-O 3.39Å; R566-Q568 PolarHBondContact O-N 2.64Å; R566-Y571 PolarHBondContact NH1-OH 3.33Å
567	G	73.2	Confident	85.4	Confident	71 Å²	71	53.7 Å²	53.7	73%	0.732	27%	0.269	S	S	*	.	S	Bend	trans	-69.5	-18.1	175.4	0	0	0	0	0	114.7
568	Q	72.7	Confident	84.7	Confident	134 Å²	134	59.5 Å²	59.5	63%	0.626	30%	0.297	S	S	*	.	S	Bend	trans	-143.4	159.7	176.3	-67.6	-175.1	-0.1	0	0	109.9	H303 R566	H303-Q568 HydrophobicContact CB-CB 4.39Å; H303-Q568 PolarHBondContact CD2-O 3.38Å; R566-Q568 VanDerWaalsContact CB-O 3.31Å; R566-Q568 WeakPolarHBondContact CB-O 3.39Å; R566-Q568 PolarHBondContact O-N 2.64Å
569	N	73.5	Confident	84.3	Confident	49 Å²	49	65.4 Å²	65.4	26%	0.262	32%	0.322	S	S	.	.			trans	-94.4	116.4	177.4	-176	-22.3	0	0	0	109.3	Y571	N569-Y571 PolarHBondContact O-N 3.23Å; N569-Y571 WeakPolarHBondContact OD1-CB 3.46Å; N569-Y571 WeakPolarHBondContact OD1-CD2 3.08Å; N569-Y571 PolarHBondContact OD1-N 2.83Å
570	P	75.3	Confident	83.9	Confident	34 Å²	34	65.6 Å²	65.6	22%	0.221	32%	0.323	C	S	.	.			trans	-76.7	-12.4	-175.2	31.1	-34.6	0	0	0	112.8	H303 K572	H303-P570 VanDerWaalsContact CD2-CA 3.5Å; H303-P570 WeakPolarHBondContact CD2-CA 3.31Å; P570-K572 PolarHBondContact O-N 3.35Å
571	Y	78.3	Confident	83.5	Confident	46 Å²	46	66.9 Å²	66.9	18%	0.18	33%	0.331	C	S	.	.	S	Bend	trans	-82.5	120.9	-176.2	-45.4	-45.2	0	0	0	110.3	V345 E347 R566 N569 F573	V345-Y571 HydrophobicContact CG1-CD1 3.94Å; V345-Y571 HydrophobicContact CG1-CD2 4.28Å; V345-Y571 HydrophobicContact CG1-CE1 4.34Å; V345-Y571 HydrophobicContact CG1-CG 3.92Å; V345-Y571 VanDerWaalsContact O-CD1 3.29Å; V345-Y571 WeakPolarHBondContact O-CD1 3.44Å; V345-Y571 WeakPolarHBondContact O-CE1 3.25Å; E347-Y571 PolarHBondContact OE2-OH 2.9Å; E347-Y571 VanDerWaalsContact OE2-OH 3.09Å; R566-Y571 PolarHBondContact NH1-OH 3.33Å; N569-Y571 PolarHBondContact O-N 3.23Å; N569-Y571 WeakPolarHBondContact OD1-CB 3.46Å; N569-Y571 WeakPolarHBondContact OD1-CD2 3.08Å; N569-Y571 PolarHBondContact OD1-N 2.83Å; Y571-F573 WeakPolarHBondContact O-CD2 3.34Å
572	K	74.8	Confident	83.3	Confident	183 Å²	183	67.3 Å²	67.3	80%	0.796	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-52.4	145.7	168.3	-59.9	177.5	-178.2	176.7	0	109.5	R405 P570	R405-K572 VanDerWaalsContact CZ-O 3.31Å; R405-K572 PolarHBondContact NH1-O 2.93Å; R405-K572 PolarHBondContact NH2-O 3.16Å; P570-K572 PolarHBondContact O-N 3.35Å
573	F	74.2	Confident	83.1	Confident	37 Å²	37	69.1 Å²	69.1	16%	0.162	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-97.5	141.1	167.9	-81.4	-115.6	0	0	0	109.3	V534 W535 Y571 K575 R577	V534-F573 HydrophobicContact CB-CD1 4.22Å; V534-F573 HydrophobicContact CB-CE1 4.16Å; V534-F573 HydrophobicContact CG1-CD1 3.76Å; V534-F573 HydrophobicContact CG1-CE1 3.66Å; V534-F573 HydrophobicContact CG1-CG 4.5Å; V534-F573 HydrophobicContact CG1-CZ 4.32Å; W535-F573 HydrophobicContact CB-CE1 4.32Å; W535-F573 HydrophobicContact CB-CZ 4.24Å; W535-F573 HydrophobicContact CE3-CZ 4.17Å; Y571-F573 WeakPolarHBondContact O-CD2 3.34Å; F573-K575 VanDerWaalsContact C-N 3.27Å; F573-K575 CarbonylContact C-O 3.53Å; F573-K575 WeakPolarHBondContact CB-O 3.47Å; F573-K575 PolarHBondContact O-N 3.49Å; F573-R577 HydrophobicContact CB-CB 4.18Å; F573-R577 HydrophobicContact CD1-CB 3.93Å; F573-R577 HydrophobicContact CD1-CG 3.93Å; F573-R577 HydrophobicContact CD2-CB 3.95Å; F573-R577 HydrophobicContact CD2-CG 3.91Å; F573-R577 HydrophobicContact CE1-CB 4.35Å; F573-R577 HydrophobicContact CE1-CG 3.82Å; F573-R577 HydrophobicContact CE2-CB 4.37Å; F573-R577 HydrophobicContact CE2-CG 3.81Å; F573-R577 HydrophobicContact CG-CB 3.73Å; F573-R577 HydrophobicContact CG-CG 4Å; F573-R577 HydrophobicContact CZ-CG 3.77Å
574	P	72.3	Confident	82.9	Confident	80 Å²	80	68.1 Å²	68.1	52%	0.519	34%	0.335	S	S	.	.	S	Bend	trans	-69.8	-25.7	177.2	-18.8	32.8	0	0	0	113.3	R405 V534	R405-P574 HydrophobicContact CG-CG 4.05Å; V534-P574 HydrophobicContact CG2-CG 4.29Å
575	K	73.9	Confident	82.9	Confident	129 Å²	129	68.6 Å²	68.6	56%	0.561	34%	0.338	S	S	*	.	S	Bend	trans	-117.7	178.9	172.8	-62.2	177.1	-176.4	175.9	0	108.4	D533 F573 R577	D533-K575 IonicContact OD2-NZ 3.74Å; D533-K575 PolarHBondContact OD2-NZ 3.35Å; F573-K575 VanDerWaalsContact C-N 3.27Å; F573-K575 CarbonylContact C-O 3.53Å; F573-K575 WeakPolarHBondContact CB-O 3.47Å; F573-K575 PolarHBondContact O-N 3.49Å; K575-R577 PolarHBondContact O-N 3.06Å
576	D	82.7	Confident	83.1	Confident	89 Å²	89	64.4 Å²	64.4	48%	0.476	32%	0.319	S	S	.	.			trans	-57.4	126.9	168.4	-179.3	-76.6	0	0	0	111	Q578 K579 T580	D576-Q578 WeakPolarHBondContact OD1-CA 3.5Å; D576-Q578 WeakPolarHBondContact OD1-CB 3.28Å; D576-Q578 PolarHBondContact OD1-N 2.92Å; D576-K579 HydrophobicContact CB-CB 4.14Å; D576-K579 HydrophobicContact CB-CD 4.18Å; D576-K579 HydrophobicContact CB-CG 4.19Å; D576-K579 PolarHBondContact OD1-N 2.83Å; D576-T580 WeakPolarHBondContact O-CB 3.4Å; D576-T580 PolarHBondContact O-N 2.84Å; D576-T580 PolarHBondContact O-OG1 3.11Å
577	R	82.7	Confident	83.6	Confident	113 Å²	113	62.7 Å²	62.7	43%	0.426	31%	0.313	S	S	.	.	H	α-helix	trans	-62.5	-45.2	-176.6	177.1	177.2	179	-155	-2.8	112.1	F573 K575 T580 V581	F573-R577 HydrophobicContact CB-CB 4.18Å; F573-R577 HydrophobicContact CD1-CB 3.93Å; F573-R577 HydrophobicContact CD1-CG 3.93Å; F573-R577 HydrophobicContact CD2-CB 3.95Å; F573-R577 HydrophobicContact CD2-CG 3.91Å; F573-R577 HydrophobicContact CE1-CB 4.35Å; F573-R577 HydrophobicContact CE1-CG 3.82Å; F573-R577 HydrophobicContact CE2-CB 4.37Å; F573-R577 HydrophobicContact CE2-CG 3.81Å; F573-R577 HydrophobicContact CG-CB 3.73Å; F573-R577 HydrophobicContact CG-CG 4Å; F573-R577 HydrophobicContact CZ-CG 3.77Å; K575-R577 PolarHBondContact O-N 3.06Å; R577-T580 PolarHBondContact O-N 2.88Å; R577-V581 WeakPolarHBondContact O-CG2 3.22Å; R577-V581 PolarHBondContact O-N 2.04Å
578	Q	83.4	Confident	84.8	Confident	126 Å²	126	59.4 Å²	59.4	59%	0.589	28%	0.279	S	S	*	.	H	α-helix	trans	-65.9	-51.9	-175.9	177.7	172.3	-11.8	0	0	109.8	D576 T580 V581 E582	D576-Q578 WeakPolarHBondContact OD1-CA 3.5Å; D576-Q578 WeakPolarHBondContact OD1-CB 3.28Å; D576-Q578 PolarHBondContact OD1-N 2.92Å; Q578-T580 PolarHBondContact O-N 2.9Å; Q578-V581 PolarHBondContact O-N 3.36Å; Q578-V581 VanDerWaalsContact O-N 3.16Å; Q578-E582 HydrophobicContact CG-CG 4.18Å; Q578-E582 VanDerWaalsContact CG-OE1 3.22Å; Q578-E582 WeakPolarHBondContact CG-OE1 3.38Å; Q578-E582 PolarHBondContact NE2-OE1 2.76Å; Q578-E582 WeakPolarHBondContact O-CB 3.33Å; Q578-E582 VanDerWaalsContact O-CG 3.31Å; Q578-E582 WeakPolarHBondContact O-CG 3.5Å; Q578-E582 PolarHBondContact O-N 2.8Å
579	K	86.8	Confident	85.9	Confident	124 Å²	124	53 Å²	53	54%	0.539	25%	0.249	S	C	.	.	H	α-helix	trans	-59.5	-33.9	177.3	-63	-176.3	-179.3	-176.1	0	112.7	D576 R583 I614	D576-K579 HydrophobicContact CB-CB 4.14Å; D576-K579 HydrophobicContact CB-CD 4.18Å; D576-K579 HydrophobicContact CB-CG 4.19Å; D576-K579 PolarHBondContact OD1-N 2.83Å; K579-R583 WeakPolarHBondContact O-CB 3.44Å; K579-R583 PolarHBondContact O-N 2.99Å; K579-I614 HydrophobicContact CB-CD1 4.1Å; K579-I614 HydrophobicContact CG-CD1 4.22Å
580	T	89.8	Confident	87	Confident	5 Å²	5	53.7 Å²	53.7	3%	0.031	25%	0.25	C	S	.	.	H	α-helix	trans	-65.6	-49.2	175.8	-57.3	0	0	0	0	111.4	D533 V534 D576 R577 Q578 N584	D533-T580 HydrophobicContact CB-CG2 3.83Å; D533-T580 VanDerWaalsContact O-CG2 3.24Å; D533-T580 WeakPolarHBondContact O-CG2 3.43Å; V534-T580 HydrophobicContact CB-CG2 4.17Å; V534-T580 HydrophobicContact CG2-CG2 4.21Å; D576-T580 WeakPolarHBondContact O-CB 3.4Å; D576-T580 PolarHBondContact O-N 2.84Å; D576-T580 PolarHBondContact O-OG1 3.11Å; R577-T580 PolarHBondContact O-N 2.88Å; Q578-T580 PolarHBondContact O-N 2.9Å; T580-N584 WeakPolarHBondContact O-CB 3.5Å; T580-N584 VanDerWaalsContact O-CG 3.22Å; T580-N584 PolarHBondContact O-N 2.76Å; T580-N584 PolarHBondContact O-OD1 3.35Å
581	V	91.3	Very high	88.1	Confident	27 Å²	27	52.3 Å²	52.3	16%	0.164	24%	0.241	C	C	.	.	H	α-helix	trans	-66.2	-44.3	178.3	176.3	0	0	0	0	111.1	W535 R577 Q578 R583 N584 L585	W535-V581 HydrophobicContact CE3-CG2 4.05Å; W535-V581 HydrophobicContact CZ3-CG2 4.09Å; R577-V581 WeakPolarHBondContact O-CG2 3.22Å; R577-V581 PolarHBondContact O-N 2.04Å; Q578-V581 PolarHBondContact O-N 3.36Å; Q578-V581 VanDerWaalsContact O-N 3.16Å; V581-R583 PolarHBondContact O-N 3.48Å; V581-N584 PolarHBondContact O-N 2.77Å; V581-L585 HydrophobicContact CG1-CD1 3.98Å; V581-L585 HydrophobicContact CG1-CG 4.3Å; V581-L585 WeakPolarHBondContact O-CG 3.38Å; V581-L585 PolarHBondContact O-N 2.9Å
582	E	93	Very high	89	Confident	9 Å²	9	50.3 Å²	50.3	4%	0.042	23%	0.233	C	C	.	.	H	α-helix	trans	-59.4	-47.1	177.1	-73.7	-176.8	-177.7	0	0	112	Q578 N584 L585 A586 Y605 H607 L608	Q578-E582 HydrophobicContact CG-CG 4.18Å; Q578-E582 VanDerWaalsContact CG-OE1 3.22Å; Q578-E582 WeakPolarHBondContact CG-OE1 3.38Å; Q578-E582 PolarHBondContact NE2-OE1 2.76Å; Q578-E582 WeakPolarHBondContact O-CB 3.33Å; Q578-E582 VanDerWaalsContact O-CG 3.31Å; Q578-E582 WeakPolarHBondContact O-CG 3.5Å; Q578-E582 PolarHBondContact O-N 2.8Å; E582-N584 PolarHBondContact O-N 2.67Å; E582-L585 PolarHBondContact O-N 3.49Å; E582-A586 WeakPolarHBondContact O-CB 3.39Å; E582-A586 PolarHBondContact O-N 2.72Å; E582-Y605 HydrophobicContact CG-CD1 4.05Å; E582-Y605 HydrophobicContact CG-CE1 3.52Å; E582-Y605 WeakPolarHBondContact OE1-CE1 3.49Å; E582-H607 IonicContact OE1-NE2 3.33Å; E582-H607 IonicContact OE2-CD2 3.96Å; E582-H607 IonicContact OE2-CE1 3.06Å; E582-H607 IonicContact OE2-NE2 2.63Å; E582-H607 PolarHBondContact OE2-NE2 3.37Å; E582-L608 HydrophobicContact CB-CD1 3.98Å; E582-L608 HydrophobicContact CB-CD2 4.1Å
583	R	93.8	Very high	90.1	Very high	39 Å²	39	41.6 Å²	41.6	15%	0.147	20%	0.196	C	C	.	.	H	α-helix	trans	-58.2	-47.3	174.5	-179.1	-167.2	161	-87.1	-2	111.5	G531 K579 V581 A586 R587 I614 D615 I616	G531-R583 VanDerWaalsContact O-CZ 3.31Å; G531-R583 PolarHBondContact O-NH1 3.16Å; G531-R583 PolarHBondContact O-NH2 2.65Å; K579-R583 WeakPolarHBondContact O-CB 3.44Å; K579-R583 PolarHBondContact O-N 2.99Å; V581-R583 PolarHBondContact O-N 3.48Å; R583-A586 PolarHBondContact O-N 3.11Å; R583-R587 PolarHBondContact O-N 2.93Å; R583-I614 HydrophobicContact CB-CG2 3.93Å; R583-I614 HydrophobicContact CG-CG2 3.99Å; R583-D615 WeakPolarHBondContact CD-O 3.43Å; R583-D615 PolarHBondContact NE-O 3.42Å; R583-I616 HydrophobicContact CG-CG2 4.39Å; R583-I616 PolarHBondContact NH2-O 2.73Å
584	N	95.7	Very high	91.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.9	-47.9	179.4	-73.4	-0.8	0	0	0	111.3	L532 D533 G536 T580 V581 E582 A586 R587 V588	L532-N584 HydrophobicContact CD2-CB 3.83Å; D533-N584 PolarHBondContact N-ND2 3.26Å; D533-N584 PolarHBondContact N-OD1 3.34Å; D533-N584 PolarHBondContact O-ND2 2.9Å; G536-N584 WeakPolarHBondContact O-CB 3.26Å; G536-N584 PolarHBondContact O-ND2 3.35Å; T580-N584 WeakPolarHBondContact O-CB 3.5Å; T580-N584 VanDerWaalsContact O-CG 3.22Å; T580-N584 PolarHBondContact O-N 2.76Å; T580-N584 PolarHBondContact O-OD1 3.35Å; V581-N584 PolarHBondContact O-N 2.77Å; E582-N584 PolarHBondContact O-N 2.67Å; N584-A586 VanDerWaalsContact C-N 3.27Å; N584-A586 PolarHBondContact O-N 2.9Å; N584-R587 WeakPolarHBondContact O-CB 3.36Å; N584-R587 PolarHBondContact O-N 3Å; N584-R587 VanDerWaalsContact O-N 3.08Å; N584-V588 WeakPolarHBondContact O-CG2 3.38Å; N584-V588 PolarHBondContact O-N 2.78Å
585	L	96.1	Very high	91.9	Very high	11 Å²	11	43.7 Å²	43.7	6%	0.058	20%	0.201	C	C	.	.	H	α-helix	trans	-61.2	-35.5	176.9	-69.1	176.5	0	0	0	112.2	L482 M540 V581 E582 V588 A589 F600 Y605	L482-L585 HydrophobicContact CB-CD2 3.91Å; L482-L585 HydrophobicContact CD1-CD2 4.2Å; M540-L585 HydrophobicContact CG-CD2 4.42Å; V581-L585 HydrophobicContact CG1-CD1 3.98Å; V581-L585 HydrophobicContact CG1-CG 4.3Å; V581-L585 WeakPolarHBondContact O-CG 3.38Å; V581-L585 PolarHBondContact O-N 2.9Å; E582-L585 PolarHBondContact O-N 3.49Å; L585-V588 PolarHBondContact O-N 3.27Å; L585-A589 WeakPolarHBondContact O-CB 3.47Å; L585-A589 PolarHBondContact O-N 3.03Å; L585-F600 HydrophobicContact CB-CE2 3.69Å; L585-F600 HydrophobicContact CB-CZ 3.69Å; L585-F600 HydrophobicContact CD1-CE2 4.46Å; L585-Y605 HydrophobicContact CD1-CE2 4.41Å
586	A	95.6	Very high	92.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-67.3	-35.1	173.1	0	0	0	0	0	113.3	E582 R583 N584 V588 A589 E590 F600 Y601 L608 I616	E582-A586 WeakPolarHBondContact O-CB 3.39Å; E582-A586 PolarHBondContact O-N 2.72Å; R583-A586 PolarHBondContact O-N 3.11Å; N584-A586 VanDerWaalsContact C-N 3.27Å; N584-A586 PolarHBondContact O-N 2.9Å; A586-V588 VanDerWaalsContact C-N 3.34Å; A586-A589 PolarHBondContact O-N 3.48Å; A586-E590 WeakPolarHBondContact O-CG 3.47Å; A586-E590 PolarHBondContact O-N 3.44Å; A586-F600 HydrophobicContact CB-CE1 4.16Å; A586-F600 HydrophobicContact CB-CZ 4.48Å; A586-Y601 HydrophobicContact CB-CE1 4.38Å; A586-L608 HydrophobicContact CB-CD1 3.94Å; A586-I616 HydrophobicContact CB-CG2 3.74Å
587	R	96.8	Very high	93.3	Very high	10 Å²	10	37.5 Å²	37.5	4%	0.038	17%	0.169	C	C	.	.	H	α-helix	trans	-61.6	-42.6	169.8	-66.6	179.7	62.8	77.8	0.8	111.4	D529 G531 L532 R583 N584 V591 I616 N618 L619	D529-R587 VanDerWaalsContact CG-NH2 3.25Å; D529-R587 IonicContact OD1-CZ 3.46Å; D529-R587 IonicContact OD1-NH2 3.05Å; D529-R587 PolarHBondContact OD1-NH2 3.15Å; D529-R587 IonicContact OD2-CZ 3.01Å; D529-R587 IonicContact OD2-NE 2.9Å; D529-R587 PolarHBondContact OD2-NE 3.09Å; D529-R587 IonicContact OD2-NH2 3.34Å; D529-R587 PolarHBondContact OD2-NH2 3.15Å; G531-R587 WeakPolarHBondContact O-CD 3.36Å; G531-R587 PolarHBondContact O-NE 3.39Å; L532-R587 HydrophobicContact CD2-CB 4.26Å; R583-R587 PolarHBondContact O-N 2.93Å; N584-R587 WeakPolarHBondContact O-CB 3.36Å; N584-R587 PolarHBondContact O-N 3Å; N584-R587 VanDerWaalsContact O-N 3.08Å; R587-V591 WeakPolarHBondContact O-CG2 3.36Å; R587-V591 PolarHBondContact O-N 3.4Å; R587-I616 VanDerWaalsContact CD-O 3.3Å; R587-I616 WeakPolarHBondContact CD-O 3.45Å; R587-I616 HydrophobicContact CG-CB 4.04Å; R587-I616 WeakPolarHBondContact CG-O 3.39Å; R587-I616 PolarHBondContact NH1-O 3.19Å; R587-N618 PolarHBondContact NH1-O 3.01Å; R587-N618 PolarHBondContact NH2-O 3.45Å; R587-N618 VanDerWaalsContact NH2-O 3.08Å; R587-L619 HydrophobicContact CB-CD2 3.95Å; R587-L619 HydrophobicContact CG-CD2 4.01Å
588	V	97.8	Very high	93.7	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.012	16%	0.156	C	C	.	.	H	α-helix	trans	-64.1	-43.7	175.4	-177.2	0	0	0	0	110.9	L482 L532 M540 E541 F544 N584 L585 A586 V591 W592	L482-V588 HydrophobicContact CD1-CG1 4.38Å; L532-V588 HydrophobicContact CD2-CG2 4.4Å; M540-V588 HydrophobicContact CB-CG1 4.24Å; E541-V588 HydrophobicContact CB-CG1 4.41Å; E541-V588 HydrophobicContact CB-CG2 3.7Å; E541-V588 HydrophobicContact CG-CG2 4.12Å; F544-V588 HydrophobicContact CD2-CG1 3.75Å; F544-V588 HydrophobicContact CE2-CG1 3.87Å; N584-V588 WeakPolarHBondContact O-CG2 3.38Å; N584-V588 PolarHBondContact O-N 2.78Å; L585-V588 PolarHBondContact O-N 3.27Å; A586-V588 VanDerWaalsContact C-N 3.34Å; V588-V591 PolarHBondContact O-N 3.22Å; V588-W592 WeakPolarHBondContact O-CB 3.47Å; V588-W592 PolarHBondContact O-N 2.9Å
589	A	96.9	Very high	94	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-58.6	-50.3	-179.8	0	0	0	0	0	112.6	L585 A586 V591 L593 K597 F600	L585-A589 WeakPolarHBondContact O-CB 3.47Å; L585-A589 PolarHBondContact O-N 3.03Å; A586-A589 PolarHBondContact O-N 3.48Å; A589-V591 VanDerWaalsContact C-N 3.32Å; A589-V591 PolarHBondContact O-N 3.42Å; A589-L593 HydrophobicContact CB-CD1 3.83Å; A589-L593 HydrophobicContact CB-CG 4.46Å; A589-L593 WeakPolarHBondContact O-CB 3.03Å; A589-L593 PolarHBondContact O-N 3Å; A589-L593 VanDerWaalsContact O-N 3.15Å; A589-K597 HydrophobicContact CB-CB 4.36Å; A589-F600 HydrophobicContact CB-CB 4.48Å; A589-F600 HydrophobicContact CB-CD1 3.5Å; A589-F600 VanDerWaalsContact CB-CD1 3.5Å; A589-F600 HydrophobicContact CB-CE1 3.8Å; A589-F600 HydrophobicContact CB-CG 3.95Å; A589-F600 HydrophobicContact CB-CZ 4.48Å
590	E	95.9	Very high	94.3	Very high	63 Å²	63	21.7 Å²	21.7	29%	0.294	10%	0.103	S	C	.	.	H	α-helix	trans	-67.8	-26.6	-178.2	-72.4	-74.8	-164.7	0	0	114	A586 K597 Y601 I616 L619	A586-E590 WeakPolarHBondContact O-CG 3.47Å; A586-E590 PolarHBondContact O-N 3.44Å; E590-K597 IonicContact OE1-NZ 2.81Å; E590-K597 WeakPolarHBondContact OE2-CD 3.36Å; E590-K597 IonicContact OE2-NZ 3.74Å; E590-K597 PolarHBondContact OE2-NZ 2.96Å; E590-Y601 WeakPolarHBondContact CG-OH 3.31Å; E590-Y601 PolarHBondContact OE1-OH 2.89Å; E590-I616 HydrophobicContact CG-CD1 3.9Å; E590-L619 HydrophobicContact CB-CD1 3.47Å; E590-L619 VanDerWaalsContact CB-CD1 3.47Å; E590-L619 HydrophobicContact CG-CD1 4.22Å
591	V	97.8	Very high	94.4	Very high	6 Å²	6	21.6 Å²	21.6	4%	0.036	10%	0.102	C	C	.	.	H	α-helix	trans	-92.7	-33.2	-179.6	-179.2	0	0	0	0	112.8	R587 V588 A589 L619 Q622 I623 R626	R587-V591 WeakPolarHBondContact O-CG2 3.36Å; R587-V591 PolarHBondContact O-N 3.4Å; V588-V591 PolarHBondContact O-N 3.22Å; A589-V591 VanDerWaalsContact C-N 3.32Å; A589-V591 PolarHBondContact O-N 3.42Å; V591-L619 HydrophobicContact CG2-CB 4.2Å; V591-L619 HydrophobicContact CG2-CD1 4.17Å; V591-L619 HydrophobicContact CG2-CD2 3.84Å; V591-L619 HydrophobicContact CG2-CG 4.3Å; V591-Q622 HydrophobicContact CG1-CB 3.96Å; V591-Q622 HydrophobicContact CG2-CB 4.09Å; V591-I623 HydrophobicContact CG2-CG1 4.21Å; V591-R626 VanDerWaalsContact O-CD 3.31Å; V591-R626 WeakPolarHBondContact O-CD 3.42Å; V591-R626 PolarHBondContact O-NH1 2.94Å
592	W	98.1	Very high	94.3	Very high	3 Å²	3	21.1 Å²	21.1	1%	0.011	10%	0.103	C	C	.	.	H	α-helix	trans	-119.8	-19.3	-165.3	-63.5	100.7	0	0	0	116.5	F544 K545 M548 V588 R626 C631 F634	F544-W592 HydrophobicContact CB-CB 4.03Å; F544-W592 HydrophobicContact CB-CD2 4.1Å; F544-W592 HydrophobicContact CB-CE3 4.13Å; F544-W592 HydrophobicContact CB-CG 4.03Å; F544-W592 HydrophobicContact CD2-CB 3.8Å; F544-W592 HydrophobicContact CD2-CG 4.35Å; F544-W592 HydrophobicContact CG-CB 4.3Å; K545-W592 HydrophobicContact CB-CH2 4.38Å; K545-W592 HydrophobicContact CB-CZ2 4.44Å; K545-W592 HydrophobicContact CD-CZ2 4.17Å; K545-W592 HydrophobicContact CG-CH2 3.55Å; K545-W592 HydrophobicContact CG-CZ2 3.27Å; K545-W592 HydrophobicContact CG-CZ3 4.38Å; M548-W592 HydrophobicContact CB-CZ3 4.34Å; M548-W592 HydrophobicContact CE-CE3 4Å; M548-W592 WeakPolarHBondContact CE-O 3.28Å; M548-W592 HydrophobicContact SD-CE3 3.88Å; V588-W592 WeakPolarHBondContact O-CB 3.47Å; V588-W592 PolarHBondContact O-N 2.9Å; W592-R626 HydrophobicContact CE3-CG 4.37Å; W592-R626 HydrophobicContact CH2-CB 3.94Å; W592-R626 HydrophobicContact CH2-CG 3.75Å; W592-R626 HydrophobicContact CZ2-CB 4.42Å; W592-R626 HydrophobicContact CZ3-CB 4.38Å; W592-R626 HydrophobicContact CZ3-CG 3.68Å; W592-C631 HydrophobicContact CZ3-CB 4.36Å; W592-F634 WeakPolarHBondContact O-CB 3.29Å; W592-F634 VanDerWaalsContact O-CD2 3.28Å; W592-F634 WeakPolarHBondContact O-CD2 3.49Å
593	L	96.8	Very high	94	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.112	C	C	.	.			trans	-91.2	-7.1	-174.8	-62.1	-177.9	0	0	0	115	W480 L482 F544 A589 E595 Y596 K597 F600 F634	W480-L593 HydrophobicContact CH2-CD1 4.23Å; W480-L593 HydrophobicContact CH2-CD2 4.26Å; W480-L593 HydrophobicContact CZ3-CD1 3.82Å; W480-L593 HydrophobicContact CZ3-CD2 4.42Å; L482-L593 HydrophobicContact CD1-CD1 4.25Å; L482-L593 HydrophobicContact CD2-CD1 4.42Å; L482-L593 HydrophobicContact CD2-CD2 4.31Å; F544-L593 HydrophobicContact CE2-CD2 4.04Å; F544-L593 HydrophobicContact CZ-CD2 4.33Å; A589-L593 HydrophobicContact CB-CD1 3.83Å; A589-L593 HydrophobicContact CB-CG 4.46Å; A589-L593 WeakPolarHBondContact O-CB 3.03Å; A589-L593 PolarHBondContact O-N 3Å; A589-L593 VanDerWaalsContact O-N 3.15Å; L593-E595 PolarHBondContact O-N 3.04Å; L593-Y596 WeakPolarHBondContact O-CA 3.45Å; L593-Y596 VanDerWaalsContact O-CB 3.31Å; L593-Y596 WeakPolarHBondContact O-CB 3.4Å; L593-Y596 PolarHBondContact O-N 3.16Å; L593-K597 HydrophobicContact CB-CB 4.08Å; L593-K597 HydrophobicContact CD1-CB 4.46Å; L593-F600 HydrophobicContact CD1-CB 3.87Å; L593-F600 HydrophobicContact CD1-CG 4.46Å; L593-F634 HydrophobicContact CD2-CD1 4.04Å; L593-F634 HydrophobicContact CD2-CD2 3.76Å; L593-F634 HydrophobicContact CD2-CE1 3.68Å; L593-F634 HydrophobicContact CD2-CE2 3.39Å; L593-F634 HydrophobicContact CD2-CG 4.07Å; L593-F634 HydrophobicContact CD2-CZ 3.34Å; L593-F634 WeakPolarHBondContact O-CB 3.5Å
594	D	95.6	Very high	93.4	Very high	48 Å²	48	23.9 Å²	23.9	26%	0.257	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	50.3	-127.2	-175	-59.1	-39.9	0	0	0	111.7	Y596 K597 R626 S633 F634	D594-Y596 PolarHBondContact O-N 3.02Å; D594-K597 WeakPolarHBondContact O-CG 3.47Å; D594-R626 VanDerWaalsContact CG-NH2 3.33Å; D594-R626 IonicContact OD1-CZ 3.38Å; D594-R626 VanDerWaalsContact OD1-CZ 3.31Å; D594-R626 IonicContact OD1-NH1 2.71Å; D594-R626 PolarHBondContact OD1-NH1 3.07Å; D594-R626 IonicContact OD1-NH2 2.62Å; D594-R626 PolarHBondContact OD1-NH2 3.41Å; D594-R626 IonicContact OD2-CZ 3.83Å; D594-R626 IonicContact OD2-NH1 3.9Å; D594-R626 IonicContact OD2-NH2 3.73Å; D594-R626 PolarHBondContact OD2-NH2 3.3Å; D594-S633 VanDerWaalsContact OD2-CA 3.24Å; D594-S633 WeakPolarHBondContact OD2-CA 3.4Å; D594-F634 HydrophobicContact CB-CB 4.38Å; D594-F634 PolarHBondContact OD2-N 3.28Å
595	E	90.6	Very high	93.1	Very high	114 Å²	114	25.8 Å²	25.8	53%	0.533	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-65.4	-22.6	175.7	64.6	-85.5	-160.9	0	0	113.9	L593 K597	L593-E595 PolarHBondContact O-N 3.04Å; E595-K597 PolarHBondContact O-N 3.08Å
596	Y	93.3	Very high	92.6	Very high	25 Å²	25	26.6 Å²	26.6	10%	0.098	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-75.9	-5	-176.5	-61.6	-102.5	0	0	0	113.4	L593 D594 D598 L599 F634 K635 L638	L593-Y596 WeakPolarHBondContact O-CA 3.45Å; L593-Y596 VanDerWaalsContact O-CB 3.31Å; L593-Y596 WeakPolarHBondContact O-CB 3.4Å; L593-Y596 PolarHBondContact O-N 3.16Å; D594-Y596 PolarHBondContact O-N 3.02Å; Y596-D598 PolarHBondContact O-N 2.88Å; Y596-L599 HydrophobicContact CD1-CD1 3.66Å; Y596-L599 HydrophobicContact CG-CD1 4.3Å; Y596-L599 WeakPolarHBondContact O-CB 3.48Å; Y596-L599 PolarHBondContact O-N 2.67Å; Y596-F634 HydrophobicContact CD1-CD1 4.46Å; Y596-F634 HydrophobicContact CD2-CB 4.27Å; Y596-F634 AromaticContact CD2-CD1 3.79Å; Y596-F634 HydrophobicContact CD2-CD1 3.79Å; Y596-F634 AromaticContact CG-CD1 3.77Å; Y596-F634 HydrophobicContact CG-CD1 3.77Å; Y596-F634 HydrophobicContact CG-CE1 4.38Å; Y596-K635 HydrophobicContact CE2-CB 3.94Å; Y596-L638 HydrophobicContact CD1-CD1 3.69Å; Y596-L638 HydrophobicContact CD2-CD1 4.42Å; Y596-L638 HydrophobicContact CE1-CD1 3.35Å; Y596-L638 HydrophobicContact CE2-CD1 4.16Å; Y596-L638 HydrophobicContact CG-CD1 4.21Å
597	K	92.6	Very high	92.1	Very high	63 Å²	63	30 Å²	30	27%	0.274	16%	0.159	S	C	.	.	H	α-helix	trans	-61	-24.6	173.2	71.2	-170.4	-178.8	179.6	0	113.1	A589 E590 L593 D594 E595 L599 F600 Y601	A589-K597 HydrophobicContact CB-CB 4.36Å; E590-K597 IonicContact OE1-NZ 2.81Å; E590-K597 WeakPolarHBondContact OE2-CD 3.36Å; E590-K597 IonicContact OE2-NZ 3.74Å; E590-K597 PolarHBondContact OE2-NZ 2.96Å; L593-K597 HydrophobicContact CB-CB 4.08Å; L593-K597 HydrophobicContact CD1-CB 4.46Å; D594-K597 WeakPolarHBondContact O-CG 3.47Å; E595-K597 PolarHBondContact O-N 3.08Å; K597-L599 VanDerWaalsContact C-N 3.26Å; K597-L599 PolarHBondContact O-N 3.15Å; K597-F600 WeakPolarHBondContact O-CB 3.35Å; K597-F600 PolarHBondContact O-N 3.39Å; K597-F600 VanDerWaalsContact O-N 3.1Å; K597-Y601 HydrophobicContact CB-CD2 4.35Å; K597-Y601 HydrophobicContact CB-CE2 4.07Å; K597-Y601 HydrophobicContact CD-CE2 4.38Å; K597-Y601 HydrophobicContact CG-CD2 4.42Å; K597-Y601 HydrophobicContact CG-CE2 4.16Å; K597-Y601 WeakPolarHBondContact O-CD2 3.31Å; K597-Y601 PolarHBondContact O-N 3.06Å
598	D	89.8	Confident	91.7	Very high	28 Å²	28	30 Å²	30	15%	0.15	16%	0.159	C	C	.	.	H	α-helix	trans	-64.2	-29.4	174.6	-80.8	11.1	0	0	0	112.4	Y596 G602 W690 L691 N717	Y596-D598 PolarHBondContact O-N 2.88Å; D598-G602 WeakPolarHBondContact O-CA 3.39Å; D598-G602 PolarHBondContact O-N 3.45Å; D598-W690 VanDerWaalsContact O-CB 3.28Å; D598-W690 WeakPolarHBondContact O-CB 3.39Å; D598-L691 HydrophobicContact CB-CD1 4.01Å; D598-L691 HydrophobicContact CB-CG 4.46Å; D598-L691 WeakPolarHBondContact OD1-CD1 3.39Å; D598-N717 PolarHBondContact OD1-ND2 3.17Å; D598-N717 PolarHBondContact OD2-ND2 2.77Å
599	L	90.9	Very high	91.1	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-64.8	-49.6	168.5	-75.1	131.6	0	0	0	110.7	W480 Y596 K597 Y601 G602 H603 W690	W480-L599 HydrophobicContact CD2-CB 3.97Å; W480-L599 HydrophobicContact CE3-CB 4.2Å; W480-L599 HydrophobicContact CH2-CB 4.28Å; W480-L599 HydrophobicContact CZ2-CB 4.04Å; W480-L599 HydrophobicContact CZ2-CD1 3.94Å; W480-L599 HydrophobicContact CZ2-CG 4.44Å; W480-L599 HydrophobicContact CZ3-CB 4.36Å; Y596-L599 HydrophobicContact CD1-CD1 3.66Å; Y596-L599 HydrophobicContact CG-CD1 4.3Å; Y596-L599 WeakPolarHBondContact O-CB 3.48Å; Y596-L599 PolarHBondContact O-N 2.67Å; K597-L599 VanDerWaalsContact C-N 3.26Å; K597-L599 PolarHBondContact O-N 3.15Å; L599-Y601 PolarHBondContact O-N 3.45Å; L599-G602 PolarHBondContact O-N 2.81Å; L599-H603 WeakPolarHBondContact O-CB 3.27Å; L599-H603 PolarHBondContact O-CD2 2.84Å; L599-H603 PolarHBondContact O-N 3.14Å; L599-W690 HydrophobicContact CB-CG 4.49Å; L599-W690 HydrophobicContact CD2-CD2 3.72Å; L599-W690 HydrophobicContact CD2-CE3 4.39Å; L599-W690 HydrophobicContact CD2-CG 3.94Å; L599-W690 HydrophobicContact CD2-CZ2 4.19Å; L599-W690 HydrophobicContact CG-CD2 4.26Å; L599-W690 HydrophobicContact CG-CG 3.93Å
600	F	93.1	Very high	90.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-55.6	-49.2	179	166.9	-97.6	0	0	0	112.1	W480 P481 L482 L585 A586 A589 L593 K597 Y605 L608	W480-F600 HydrophobicContact CE3-CB 4.34Å; W480-F600 HydrophobicContact CZ3-CB 4.19Å; P481-F600 HydrophobicContact CB-CD2 3.78Å; P481-F600 HydrophobicContact CB-CE2 4.19Å; L482-F600 HydrophobicContact CB-CD2 4.42Å; L482-F600 HydrophobicContact CD1-CD2 3.98Å; L482-F600 HydrophobicContact CD1-CE2 4.16Å; L482-F600 HydrophobicContact CG-CD2 3.88Å; L482-F600 HydrophobicContact CG-CE2 4.32Å; L585-F600 HydrophobicContact CB-CE2 3.69Å; L585-F600 HydrophobicContact CB-CZ 3.69Å; L585-F600 HydrophobicContact CD1-CE2 4.46Å; A586-F600 HydrophobicContact CB-CE1 4.16Å; A586-F600 HydrophobicContact CB-CZ 4.48Å; A589-F600 HydrophobicContact CB-CB 4.48Å; A589-F600 HydrophobicContact CB-CD1 3.5Å; A589-F600 VanDerWaalsContact CB-CD1 3.5Å; A589-F600 HydrophobicContact CB-CE1 3.8Å; A589-F600 HydrophobicContact CB-CG 3.95Å; A589-F600 HydrophobicContact CB-CZ 4.48Å; L593-F600 HydrophobicContact CD1-CB 3.87Å; L593-F600 HydrophobicContact CD1-CG 4.46Å; K597-F600 WeakPolarHBondContact O-CB 3.35Å; K597-F600 PolarHBondContact O-N 3.39Å; K597-F600 VanDerWaalsContact O-N 3.1Å; F600-Y605 AromaticContact CD2-CD2 3.92Å; F600-Y605 HydrophobicContact CD2-CD2 3.92Å; F600-Y605 HydrophobicContact CD2-CE2 4.35Å; F600-Y605 HydrophobicContact CE1-CD2 4.08Å; F600-Y605 AromaticContact CE2-CD2 3.31Å; F600-Y605 HydrophobicContact CE2-CD2 3.31Å; F600-Y605 AromaticContact CE2-CE2 3.57Å; F600-Y605 HydrophobicContact CE2-CE2 3.57Å; F600-Y605 HydrophobicContact CE2-CG 4.43Å; F600-Y605 AromaticContact CZ-CD2 3.4Å; F600-Y605 HydrophobicContact CZ-CD2 3.4Å; F600-Y605 AromaticContact CZ-CE2 3.94Å; F600-Y605 HydrophobicContact CZ-CE2 3.94Å; F600-Y605 HydrophobicContact CZ-CG 4.15Å; F600-L608 HydrophobicContact CE1-CD1 4.3Å; F600-L608 HydrophobicContact CZ-CD1 4.29Å
601	Y	91.8	Very high	89.6	Confident	3 Å²	3	38.4 Å²	38.4	1%	0.012	20%	0.197	C	C	.	.	I	π-helix	trans	-70.9	-38.2	177.7	-64.7	-64.4	0	0	0	112.7	A586 E590 K597 L599 H603 G604 Y605 Q606 L608 L609	A586-Y601 HydrophobicContact CB-CE1 4.38Å; E590-Y601 WeakPolarHBondContact CG-OH 3.31Å; E590-Y601 PolarHBondContact OE1-OH 2.89Å; K597-Y601 HydrophobicContact CB-CD2 4.35Å; K597-Y601 HydrophobicContact CB-CE2 4.07Å; K597-Y601 HydrophobicContact CD-CE2 4.38Å; K597-Y601 HydrophobicContact CG-CD2 4.42Å; K597-Y601 HydrophobicContact CG-CE2 4.16Å; K597-Y601 WeakPolarHBondContact O-CD2 3.31Å; K597-Y601 PolarHBondContact O-N 3.06Å; L599-Y601 PolarHBondContact O-N 3.45Å; Y601-H603 VanDerWaalsContact C-N 3.27Å; Y601-H603 PolarHBondContact O-N 3.35Å; Y601-G604 PolarHBondContact O-N 3.21Å; Y601-Y605 CarbonylContact O-C 3.53Å; Y601-Y605 PolarHBondContact O-N 2.92Å; Y601-Y605 VanDerWaalsContact O-N 3.11Å; Y601-Q606 PolarHBondContact O-N 3.15Å; Y601-L608 HydrophobicContact CD1-CB 4.18Å; Y601-L608 HydrophobicContact CE1-CB 3.87Å; Y601-L609 HydrophobicContact CD1-CD2 3.98Å; Y601-L609 HydrophobicContact CD1-CG 3.99Å; Y601-L609 HydrophobicContact CD2-CD2 3.73Å; Y601-L609 HydrophobicContact CD2-CG 4.38Å; Y601-L609 HydrophobicContact CE1-CD2 4.04Å; Y601-L609 HydrophobicContact CE1-CG 4.4Å; Y601-L609 HydrophobicContact CE2-CD2 3.81Å; Y601-L609 HydrophobicContact CG-CD1 4.32Å; Y601-L609 HydrophobicContact CG-CD2 3.83Å; Y601-L609 HydrophobicContact CG-CG 3.99Å
602	G	88.2	Confident	88.7	Confident	18 Å²	18	47.6 Å²	47.6	19%	0.186	24%	0.237	C	C	.	.	I	π-helix	trans	-68.3	-20.6	177.1	0	0	0	0	0	114.8	D598 L599 G604 W690	D598-G602 WeakPolarHBondContact O-CA 3.39Å; D598-G602 PolarHBondContact O-N 3.45Å; L599-G602 PolarHBondContact O-N 2.81Å; G602-G604 PolarHBondContact O-N 3.07Å; G602-W690 WeakPolarHBondContact CA-O 3.34Å
603	H	86.8	Confident	87.8	Confident	51 Å²	51	51.1 Å²	51.1	24%	0.236	26%	0.258	C	S	.	.	I	π-helix	trans	-83	26.8	175	-94.3	-85.8	0	0	0	114.4	W480 P481 L599 Y601 W690 Q779	W480-H603 HydrophobicContact CB-CB 4.21Å; P481-H603 HydrophobicContact CB-CB 3.83Å; P481-H603 HydrophobicContact CG-CB 4.17Å; L599-H603 WeakPolarHBondContact O-CB 3.27Å; L599-H603 PolarHBondContact O-CD2 2.84Å; L599-H603 PolarHBondContact O-N 3.14Å; Y601-H603 VanDerWaalsContact C-N 3.27Å; Y601-H603 PolarHBondContact O-N 3.35Å; H603-W690 AromaticContact CD2-CE3 3.72Å; H603-W690 AromaticContact CD2-CZ3 3.98Å; H603-W690 AromaticContact NE2-CE3 3.63Å; H603-W690 AromaticContact NE2-CZ3 3.39Å; H603-W690 WeakPolarHBondContact NE2-CZ3 3.33Å; H603-Q779 PolarHBondContact CE1-NE2 3.05Å; H603-Q779 PolarHBondContact CE1-OE1 2.75Å; H603-Q779 PolarHBondContact NE2-NE2 3.5Å
604	G	82.4	Confident	87	Confident	54 Å²	54	52 Å²	52	56%	0.557	26%	0.263	S	S	*	.	I	π-helix	trans	109.6	1.2	171.5	0	0	0	0	0	115.6	Y601 G602	Y601-G604 PolarHBondContact O-N 3.21Å; G602-G604 PolarHBondContact O-N 3.07Å
605	Y	88	Confident	86.6	Confident	40 Å²	40	55.4 Å²	55.4	16%	0.157	28%	0.281	C	S	.	.	I	π-helix	trans	-102.6	21.9	177	-67.6	-41.9	0	0	0	114	P481 E582 L585 F600 Y601 H607 L608	P481-Y605 HydrophobicContact CB-CD2 3.6Å; P481-Y605 HydrophobicContact CB-CE2 3.53Å; P481-Y605 HydrophobicContact CG-CD2 3.78Å; P481-Y605 HydrophobicContact CG-CE2 3.34Å; E582-Y605 HydrophobicContact CG-CD1 4.05Å; E582-Y605 HydrophobicContact CG-CE1 3.52Å; E582-Y605 WeakPolarHBondContact OE1-CE1 3.49Å; L585-Y605 HydrophobicContact CD1-CE2 4.41Å; F600-Y605 AromaticContact CD2-CD2 3.92Å; F600-Y605 HydrophobicContact CD2-CD2 3.92Å; F600-Y605 HydrophobicContact CD2-CE2 4.35Å; F600-Y605 HydrophobicContact CE1-CD2 4.08Å; F600-Y605 AromaticContact CE2-CD2 3.31Å; F600-Y605 HydrophobicContact CE2-CD2 3.31Å; F600-Y605 AromaticContact CE2-CE2 3.57Å; F600-Y605 HydrophobicContact CE2-CE2 3.57Å; F600-Y605 HydrophobicContact CE2-CG 4.43Å; F600-Y605 AromaticContact CZ-CD2 3.4Å; F600-Y605 HydrophobicContact CZ-CD2 3.4Å; F600-Y605 AromaticContact CZ-CE2 3.94Å; F600-Y605 HydrophobicContact CZ-CE2 3.94Å; F600-Y605 HydrophobicContact CZ-CG 4.15Å; Y601-Y605 CarbonylContact O-C 3.53Å; Y601-Y605 PolarHBondContact O-N 2.92Å; Y601-Y605 VanDerWaalsContact O-N 3.11Å; Y605-H607 AromaticContact CD1-CE1 3.9Å; Y605-H607 PolarHBondContact O-N 3.34Å; Y605-L608 HydrophobicContact CD1-CD1 4.17Å; Y605-L608 HydrophobicContact CG-CD1 3.96Å; Y605-L608 VanDerWaalsContact O-CB 3.32Å; Y605-L608 WeakPolarHBondContact O-CB 3.49Å; Y605-L608 WeakPolarHBondContact O-CG 3.34Å; Y605-L608 PolarHBondContact O-N 3.13Å
606	Q	85.6	Confident	86.6	Confident	29 Å²	29	51.4 Å²	51.4	14%	0.136	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-62.7	-16.9	-176.9	-159.1	179.1	29.4	0	0	113.8	Y601 L608 L609 L691 R723	Y601-Q606 PolarHBondContact O-N 3.15Å; Q606-L608 VanDerWaalsContact C-N 3.34Å; Q606-L609 HydrophobicContact CG-CD1 4.33Å; Q606-L691 HydrophobicContact CB-CD2 4.47Å; Q606-L691 HydrophobicContact CG-CD2 3.74Å; Q606-L691 PolarHBondContact NE2-O 2.59Å; Q606-R723 VanDerWaalsContact CD-NH1 3.3Å
607	H	85.6	Confident	86.5	Confident	72 Å²	72	51.4 Å²	51.4	33%	0.333	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-72.9	-22.5	171.3	58.3	-77.4	0	0	0	113.6	E582 Y605 L609 D610	E582-H607 IonicContact OE1-NE2 3.33Å; E582-H607 IonicContact OE2-CD2 3.96Å; E582-H607 IonicContact OE2-CE1 3.06Å; E582-H607 IonicContact OE2-NE2 2.63Å; E582-H607 PolarHBondContact OE2-NE2 3.37Å; Y605-H607 AromaticContact CD1-CE1 3.9Å; Y605-H607 PolarHBondContact O-N 3.34Å; H607-L609 PolarHBondContact O-N 2.82Å; H607-D610 PolarHBondContact O-N 3.46Å
608	L	88.1	Confident	86.6	Confident	8 Å²	8	53.9 Å²	53.9	4%	0.042	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-72.6	-15	179.2	-55	-173.6	0	0	0	113.3	E582 A586 F600 Y601 Y605 Q606 D610 I614	E582-L608 HydrophobicContact CB-CD1 3.98Å; E582-L608 HydrophobicContact CB-CD2 4.1Å; A586-L608 HydrophobicContact CB-CD1 3.94Å; F600-L608 HydrophobicContact CE1-CD1 4.3Å; F600-L608 HydrophobicContact CZ-CD1 4.29Å; Y601-L608 HydrophobicContact CD1-CB 4.18Å; Y601-L608 HydrophobicContact CE1-CB 3.87Å; Y605-L608 HydrophobicContact CD1-CD1 4.17Å; Y605-L608 HydrophobicContact CG-CD1 3.96Å; Y605-L608 VanDerWaalsContact O-CB 3.32Å; Y605-L608 WeakPolarHBondContact O-CB 3.49Å; Y605-L608 WeakPolarHBondContact O-CG 3.34Å; Y605-L608 PolarHBondContact O-N 3.13Å; Q606-L608 VanDerWaalsContact C-N 3.34Å; L608-D610 VanDerWaalsContact C-N 3.27Å; L608-I614 HydrophobicContact CD2-CB 4.25Å; L608-I614 HydrophobicContact CD2-CD1 3.45Å; L608-I614 VanDerWaalsContact CD2-CD1 3.45Å; L608-I614 HydrophobicContact CD2-CG1 4.34Å; L608-I614 HydrophobicContact CD2-CG2 4.48Å
609	L	85.9	Confident	86.9	Confident	19 Å²	19	53.5 Å²	53.5	10%	0.099	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-73.5	-19.1	172.7	-65.5	174	0	0	0	112.7	Y601 Q606 H607 K611 L691 N717	Y601-L609 HydrophobicContact CD1-CD2 3.98Å; Y601-L609 HydrophobicContact CD1-CG 3.99Å; Y601-L609 HydrophobicContact CD2-CD2 3.73Å; Y601-L609 HydrophobicContact CD2-CG 4.38Å; Y601-L609 HydrophobicContact CE1-CD2 4.04Å; Y601-L609 HydrophobicContact CE1-CG 4.4Å; Y601-L609 HydrophobicContact CE2-CD2 3.81Å; Y601-L609 HydrophobicContact CG-CD1 4.32Å; Y601-L609 HydrophobicContact CG-CD2 3.83Å; Y601-L609 HydrophobicContact CG-CG 3.99Å; Q606-L609 HydrophobicContact CG-CD1 4.33Å; H607-L609 PolarHBondContact O-N 2.82Å; L609-K611 PolarHBondContact O-N 2.85Å; L609-L691 HydrophobicContact CD1-CD1 4.07Å; L609-L691 HydrophobicContact CD1-CD2 3.66Å; L609-N717 WeakPolarHBondContact CD1-O 3.5Å
610	D	83.4	Confident	87.2	Confident	42 Å²	42	56.6 Å²	56.6	23%	0.225	30%	0.304	C	S	.	.			trans	-87.1	100.5	175.8	-166.6	-28.9	0	0	0	109.3	H607 L608 K612 V613 R720	H607-D610 PolarHBondContact O-N 3.46Å; L608-D610 VanDerWaalsContact C-N 3.27Å; D610-K612 PolarHBondContact O-N 3.32Å; D610-K612 WeakPolarHBondContact OD1-CB 3.42Å; D610-K612 PolarHBondContact OD1-N 3.06Å; D610-K612 VanDerWaalsContact OD1-N 3.15Å; D610-V613 HydrophobicContact CB-CB 4.37Å; D610-V613 HydrophobicContact CB-CG2 3.83Å; D610-V613 WeakPolarHBondContact O-CB 3.4Å; D610-V613 PolarHBondContact O-N 3.02Å; D610-R720 IonicContact OD2-CZ 2.63Å; D610-R720 IonicContact OD2-NH2 2.76Å; D610-R720 PolarHBondContact OD2-NH2 3.36Å
611	K	77.7	Confident	87.4	Confident	182 Å²	182	62.8 Å²	62.8	79%	0.791	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-11.2	-178.3	-62.2	-174.2	-179.6	-177.2	0	114.2	L609	L609-K611 PolarHBondContact O-N 2.85Å
612	K	79.5	Confident	87.6	Confident	198 Å²	198	63.1 Å²	63.1	86%	0.861	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-17.8	171.9	-57.2	176	-178.7	175.7	0	112.6	D610	D610-K612 PolarHBondContact O-N 3.32Å; D610-K612 WeakPolarHBondContact OD1-CB 3.42Å; D610-K612 PolarHBondContact OD1-N 3.06Å; D610-K612 VanDerWaalsContact OD1-N 3.15Å
613	V	78.1	Confident	88.1	Confident	78 Å²	78	65.2 Å²	65.2	47%	0.473	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-51.3	-179.5	177.6	0	0	0	0	110.8	D610	D610-V613 HydrophobicContact CB-CB 4.37Å; D610-V613 HydrophobicContact CB-CG2 3.83Å; D610-V613 WeakPolarHBondContact O-CB 3.4Å; D610-V613 PolarHBondContact O-N 3.02Å
614	I	80.8	Confident	88.6	Confident	18 Å²	18	68.3 Å²	68.3	9%	0.092	36%	0.355	C	S	.	.			trans	-138.1	128.4	176.7	-81.7	171.2	0	0	0	109.8	K579 R583 L608 I616	K579-I614 HydrophobicContact CB-CD1 4.1Å; K579-I614 HydrophobicContact CG-CD1 4.22Å; R583-I614 HydrophobicContact CB-CG2 3.93Å; R583-I614 HydrophobicContact CG-CG2 3.99Å; L608-I614 HydrophobicContact CD2-CB 4.25Å; L608-I614 HydrophobicContact CD2-CD1 3.45Å; L608-I614 VanDerWaalsContact CD2-CD1 3.45Å; L608-I614 HydrophobicContact CD2-CG1 4.34Å; L608-I614 HydrophobicContact CD2-CG2 4.48Å; I614-I616 HydrophobicContact CG2-CG2 4.19Å
615	D	87.3	Confident	89.4	Confident	120 Å²	120	67.1 Å²	67.1	64%	0.642	34%	0.336	S	S	*	.			trans	-89.3	119.1	164	178.2	27.7	0	0	0	110.1	R583 G617	R583-D615 WeakPolarHBondContact CD-O 3.43Å; R583-D615 PolarHBondContact NE-O 3.42Å; D615-G617 VanDerWaalsContact C-N 3.3Å; D615-G617 WeakPolarHBondContact OD1-CA 3.47Å; D615-G617 PolarHBondContact OD1-N 2.85Å
616	I	90.6	Very high	89.8	Confident	29 Å²	29	66.8 Å²	66.8	15%	0.149	34%	0.335	C	S	.	.			trans	-79	-14.7	174.6	64.2	178.4	0	0	0	112.4	R583 A586 R587 E590 I614 L619	R583-I616 HydrophobicContact CG-CG2 4.39Å; R583-I616 PolarHBondContact NH2-O 2.73Å; A586-I616 HydrophobicContact CB-CG2 3.74Å; R587-I616 VanDerWaalsContact CD-O 3.3Å; R587-I616 WeakPolarHBondContact CD-O 3.45Å; R587-I616 HydrophobicContact CG-CB 4.04Å; R587-I616 WeakPolarHBondContact CG-O 3.39Å; R587-I616 PolarHBondContact NH1-O 3.19Å; E590-I616 HydrophobicContact CG-CD1 3.9Å; I614-I616 HydrophobicContact CG2-CG2 4.19Å; I616-L619 HydrophobicContact CD1-CD1 3.92Å
617	G	91.2	Very high	90.4	Very high	25 Å²	25	72.6 Å²	72.6	26%	0.258	36%	0.359	S	S	.	.			trans	76.3	-179.2	-177.9	0	0	0	0	0	113.6	D615	D615-G617 VanDerWaalsContact C-N 3.3Å; D615-G617 WeakPolarHBondContact OD1-CA 3.47Å; D615-G617 PolarHBondContact OD1-N 2.85Å
618	N	94.1	Very high	91	Very high	115 Å²	115	77.5 Å²	77.5	62%	0.615	38%	0.38	S	S	*	.			trans	-64	140.4	-177.5	-167.9	3.8	0	0	0	112.4	R587 T620	R587-N618 PolarHBondContact NH1-O 3.01Å; R587-N618 PolarHBondContact NH2-O 3.45Å; R587-N618 VanDerWaalsContact NH2-O 3.08Å; N618-T620 WeakPolarHBondContact OD1-CB 3.29Å; N618-T620 PolarHBondContact OD1-N 3.3Å; N618-T620 PolarHBondContact OD1-OG1 2.95Å; N618-T620 VanDerWaalsContact OD1-OG1 3.05Å
619	L	96.3	Very high	91.5	Very high	20 Å²	20	79.9 Å²	79.9	11%	0.105	39%	0.392	C	S	.	.			trans	-121.3	-6.4	179	-63.8	177.4	0	0	0	113.6	R587 E590 V591 I616 E621 Q622 I623	R587-L619 HydrophobicContact CB-CD2 3.95Å; R587-L619 HydrophobicContact CG-CD2 4.01Å; E590-L619 HydrophobicContact CB-CD1 3.47Å; E590-L619 VanDerWaalsContact CB-CD1 3.47Å; E590-L619 HydrophobicContact CG-CD1 4.22Å; V591-L619 HydrophobicContact CG2-CB 4.2Å; V591-L619 HydrophobicContact CG2-CD1 4.17Å; V591-L619 HydrophobicContact CG2-CD2 3.84Å; V591-L619 HydrophobicContact CG2-CG 4.3Å; I616-L619 HydrophobicContact CD1-CD1 3.92Å; L619-E621 VanDerWaalsContact C-N 3.34Å; L619-E621 PolarHBondContact O-N 3.48Å; L619-Q622 PolarHBondContact O-N 2.94Å; L619-I623 HydrophobicContact CB-CD1 3.86Å; L619-I623 HydrophobicContact CB-CG1 4.37Å; L619-I623 WeakPolarHBondContact O-CG1 3.39Å; L619-I623 PolarHBondContact O-N 2.9Å
620	T	97	Very high	92.1	Very high	68 Å²	68	87.7 Å²	87.7	42%	0.417	43%	0.425	S	S	.	.	H	α-helix	trans	-50.9	-49.5	-171.9	-61.4	0	0	0	0	112.6	N618 Q622 I623 E624	N618-T620 WeakPolarHBondContact OD1-CB 3.29Å; N618-T620 PolarHBondContact OD1-N 3.3Å; N618-T620 PolarHBondContact OD1-OG1 2.95Å; N618-T620 VanDerWaalsContact OD1-OG1 3.05Å; T620-Q622 VanDerWaalsContact C-N 3.33Å; T620-Q622 PolarHBondContact O-N 2.79Å; T620-I623 PolarHBondContact O-N 2.84Å; T620-E624 HydrophobicContact CG2-CG 4.21Å; T620-E624 WeakPolarHBondContact CG2-OE1 3.29Å; T620-E624 WeakPolarHBondContact O-CB 3.32Å; T620-E624 WeakPolarHBondContact O-CG 3.35Å; T620-E624 PolarHBondContact O-N 2.85Å
621	E	96.4	Very high	92.8	Very high	130 Å²	130	86.7 Å²	86.7	61%	0.607	42%	0.421	S	S	*	.	H	α-helix	trans	-58.2	-41	-179.8	-63.7	176.4	-176.6	0	0	113.1	L619 L625	L619-E621 VanDerWaalsContact C-N 3.34Å; L619-E621 PolarHBondContact O-N 3.48Å; E621-L625 WeakPolarHBondContact O-CB 3.21Å; E621-L625 PolarHBondContact O-N 3.25Å
622	Q	97.6	Very high	93.8	Very high	10 Å²	10	83.4 Å²	83.4	5%	0.047	41%	0.407	C	S	.	.	H	α-helix	trans	-74.8	-34.4	-179.4	-59.1	-58.7	-46.1	0	0	111.6	D529 V591 L619 T620 R626	D529-Q622 HydrophobicContact CB-CG 4.02Å; V591-Q622 HydrophobicContact CG1-CB 3.96Å; V591-Q622 HydrophobicContact CG2-CB 4.09Å; L619-Q622 PolarHBondContact O-N 2.94Å; T620-Q622 VanDerWaalsContact C-N 3.33Å; T620-Q622 PolarHBondContact O-N 2.79Å; Q622-R626 WeakPolarHBondContact O-CB 3.22Å; Q622-R626 PolarHBondContact O-N 2.85Å
623	I	97.6	Very high	94.7	Very high	62 Å²	62	76.5 Å²	76.5	32%	0.318	38%	0.384	S	S	.	.	H	α-helix	trans	-68.2	-42.3	174	-65.4	168.3	0	0	0	110.6	V591 L619 T620 R626 K627	V591-I623 HydrophobicContact CG2-CG1 4.21Å; L619-I623 HydrophobicContact CB-CD1 3.86Å; L619-I623 HydrophobicContact CB-CG1 4.37Å; L619-I623 WeakPolarHBondContact O-CG1 3.39Å; L619-I623 PolarHBondContact O-N 2.9Å; T620-I623 PolarHBondContact O-N 2.84Å; I623-R626 PolarHBondContact O-N 3.33Å; I623-K627 HydrophobicContact CG2-CD 4.35Å; I623-K627 VanDerWaalsContact O-CG 3.31Å; I623-K627 WeakPolarHBondContact O-CG 3.48Å; I623-K627 PolarHBondContact O-N 3.36Å; I623-K627 VanDerWaalsContact O-N 3.07Å
624	E	98.1	Very high	95.6	Very high	115 Å²	115	72.8 Å²	72.8	54%	0.537	36%	0.361	S	S	.	.	H	α-helix	trans	-67.8	-39.8	175.8	-73.8	178.8	175.1	0	0	112.1	T620 K627 K628	T620-E624 HydrophobicContact CG2-CG 4.21Å; T620-E624 WeakPolarHBondContact CG2-OE1 3.29Å; T620-E624 WeakPolarHBondContact O-CB 3.32Å; T620-E624 WeakPolarHBondContact O-CG 3.35Å; T620-E624 PolarHBondContact O-N 2.85Å; E624-K627 PolarHBondContact O-N 2.98Å; E624-K628 VanDerWaalsContact O-CB 3.25Å; E624-K628 WeakPolarHBondContact O-CB 3.29Å; E624-K628 PolarHBondContact O-N 3.38Å
625	L	97.8	Very high	96.4	Very high	29 Å²	29	76.1 Å²	76.1	15%	0.152	38%	0.375	C	S	.	.	H	α-helix	trans	-58.6	-48.5	171.8	177.3	65.1	0	0	0	111.6	E621 K627 K628 L629	E621-L625 WeakPolarHBondContact O-CB 3.21Å; E621-L625 PolarHBondContact O-N 3.25Å; L625-K627 VanDerWaalsContact C-N 3.31Å; L625-K627 PolarHBondContact O-N 2.88Å; L625-K628 PolarHBondContact O-N 3.15Å; L625-L629 HydrophobicContact CD1-CD1 3.76Å; L625-L629 HydrophobicContact CD1-CG 4.09Å; L625-L629 HydrophobicContact CG-CD1 4.01Å; L625-L629 WeakPolarHBondContact O-CB 3.44Å; L625-L629 WeakPolarHBondContact O-CG 3.37Å; L625-L629 PolarHBondContact O-N 3.28Å
626	R	98.2	Very high	96.9	Very high	34 Å²	34	73.9 Å²	73.9	13%	0.128	36%	0.358	C	S	.	.	H	α-helix	trans	-59.8	-40.2	177.2	-172.3	177.3	171.3	-146	-10	112.1	M548 V591 W592 D594 Q622 I623 K630 C631 K632	M548-R626 VanDerWaalsContact CE-NH2 3.32Å; V591-R626 VanDerWaalsContact O-CD 3.31Å; V591-R626 WeakPolarHBondContact O-CD 3.42Å; V591-R626 PolarHBondContact O-NH1 2.94Å; W592-R626 HydrophobicContact CE3-CG 4.37Å; W592-R626 HydrophobicContact CH2-CB 3.94Å; W592-R626 HydrophobicContact CH2-CG 3.75Å; W592-R626 HydrophobicContact CZ2-CB 4.42Å; W592-R626 HydrophobicContact CZ3-CB 4.38Å; W592-R626 HydrophobicContact CZ3-CG 3.68Å; D594-R626 VanDerWaalsContact CG-NH2 3.33Å; D594-R626 IonicContact OD1-CZ 3.38Å; D594-R626 VanDerWaalsContact OD1-CZ 3.31Å; D594-R626 IonicContact OD1-NH1 2.71Å; D594-R626 PolarHBondContact OD1-NH1 3.07Å; D594-R626 IonicContact OD1-NH2 2.62Å; D594-R626 PolarHBondContact OD1-NH2 3.41Å; D594-R626 IonicContact OD2-CZ 3.83Å; D594-R626 IonicContact OD2-NH1 3.9Å; D594-R626 IonicContact OD2-NH2 3.73Å; D594-R626 PolarHBondContact OD2-NH2 3.3Å; Q622-R626 WeakPolarHBondContact O-CB 3.22Å; Q622-R626 PolarHBondContact O-N 2.85Å; I623-R626 PolarHBondContact O-N 3.33Å; R626-K630 PolarHBondContact O-N 3.33Å; R626-C631 HydrophobicContact CG-CB 3.83Å; R626-C631 PolarHBondContact O-N 3.24Å; R626-C631 PolarHBondContact O-SG 3Å; R626-C631 VanDerWaalsContact O-SG 3.39Å; R626-K632 PolarHBondContact NH2-O 3.23Å
627	K	98	Very high	97.3	Very high	150 Å²	150	72.5 Å²	72.5	65%	0.652	35%	0.35	S	S	*	.	H	α-helix	trans	-65.4	-48.2	173.1	-71.2	168.4	-178.6	176	0	112.1	I623 E624 L625 L629 K630	I623-K627 HydrophobicContact CG2-CD 4.35Å; I623-K627 VanDerWaalsContact O-CG 3.31Å; I623-K627 WeakPolarHBondContact O-CG 3.48Å; I623-K627 PolarHBondContact O-N 3.36Å; I623-K627 VanDerWaalsContact O-N 3.07Å; E624-K627 PolarHBondContact O-N 2.98Å; L625-K627 VanDerWaalsContact C-N 3.31Å; L625-K627 PolarHBondContact O-N 2.88Å; K627-L629 VanDerWaalsContact C-N 3.35Å; K627-L629 PolarHBondContact O-N 3.36Å; K627-K630 WeakPolarHBondContact O-CA 3.45Å; K627-K630 PolarHBondContact O-N 2.8Å
628	K	98.2	Very high	97.5	Very high	176 Å²	176	71.5 Å²	71.5	77%	0.765	34%	0.339	S	S	*	.	H	α-helix	trans	-60.2	-41.6	-179	179.1	-179	177.6	-177.8	0	112.3	E624 L625 K630	E624-K628 VanDerWaalsContact O-CB 3.25Å; E624-K628 WeakPolarHBondContact O-CB 3.29Å; E624-K628 PolarHBondContact O-N 3.38Å; L625-K628 PolarHBondContact O-N 3.15Å; K628-K630 PolarHBondContact O-N 2.92Å
629	L	98.1	Very high	97.6	Very high	57 Å²	57	70 Å²	70	30%	0.298	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-3.9	176	-68.7	176.1	0	0	0	113.6	L525 C549 L625 K627 C631	L525-L629 HydrophobicContact CD2-CD1 4.36Å; C549-L629 HydrophobicContact CB-CB 4.36Å; C549-L629 HydrophobicContact CB-CD1 4.36Å; L625-L629 HydrophobicContact CD1-CD1 3.76Å; L625-L629 HydrophobicContact CD1-CG 4.09Å; L625-L629 HydrophobicContact CG-CD1 4.01Å; L625-L629 WeakPolarHBondContact O-CB 3.44Å; L625-L629 WeakPolarHBondContact O-CG 3.37Å; L625-L629 PolarHBondContact O-N 3.28Å; K627-L629 VanDerWaalsContact C-N 3.35Å; K627-L629 PolarHBondContact O-N 3.36Å; L629-C631 WeakPolarHBondContact CB-SG 3.5Å; L629-C631 PolarHBondContact O-N 2.96Å
630	K	98.3	Very high	97.6	Very high	184 Å²	184	72.6 Å²	72.6	80%	0.8	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	39.6	-179	-56.4	-178.7	-178.9	179.8	0	112.8	R626 K627 K628	R626-K630 PolarHBondContact O-N 3.33Å; K627-K630 WeakPolarHBondContact O-CA 3.45Å; K627-K630 PolarHBondContact O-N 2.8Å; K628-K630 PolarHBondContact O-N 2.92Å
631	C	98.6	Very high	97.6	Very high	21 Å²	21	69.7 Å²	69.7	14%	0.142	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-66.6	152.8	-176.7	-44.2	0	0	0	0	111.6	M548 C549 W592 R626 L629	M548-C631 HydrophobicContact CB-CB 4.27Å; M548-C631 CarbonylContact O-C 3.59Å; M548-C631 WeakPolarHBondContact O-CA 3.19Å; M548-C631 WeakPolarHBondContact O-CB 3.46Å; C549-C631 HydrophobicContact CB-CB 4.02Å; C549-C631 WeakPolarHBondContact CB-SG 3.43Å; C549-C631 WeakPolarHBondContact SG-CB 3.47Å; C549-C631 CovalentContact SG-SG 2.04Å; C549-C631 PolarHBondContact SG-SG 3.02Å; W592-C631 HydrophobicContact CZ3-CB 4.36Å; R626-C631 HydrophobicContact CG-CB 3.83Å; R626-C631 PolarHBondContact O-N 3.24Å; R626-C631 PolarHBondContact O-SG 3Å; R626-C631 VanDerWaalsContact O-SG 3.39Å; L629-C631 WeakPolarHBondContact CB-SG 3.5Å; L629-C631 PolarHBondContact O-N 2.96Å
632	K	98.6	Very high	97.5	Very high	112 Å²	112	64 Å²	64	49%	0.487	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-70.2	169.9	-179.1	-56.8	-68	-180	176.7	0	112.3	M548 R626 W636	M548-K632 WeakPolarHBondContact CE-O 3.36Å; M548-K632 WeakPolarHBondContact O-CG 3.41Å; M548-K632 PolarHBondContact O-N 2.75Å; R626-K632 PolarHBondContact NH2-O 3.23Å; K632-W636 HydrophobicContact CB-CB 3.97Å; K632-W636 HydrophobicContact CB-CD2 3.61Å; K632-W636 HydrophobicContact CB-CE3 3.41Å; K632-W636 VanDerWaalsContact CB-CE3 3.41Å; K632-W636 HydrophobicContact CB-CG 3.84Å; K632-W636 HydrophobicContact CB-CZ3 4.19Å; K632-W636 HydrophobicContact CD-CD2 4.23Å; K632-W636 HydrophobicContact CD-CG 4.28Å; K632-W636 HydrophobicContact CG-CD2 3.6Å; K632-W636 HydrophobicContact CG-CE3 3.62Å; K632-W636 HydrophobicContact CG-CG 4.05Å; K632-W636 HydrophobicContact CG-CH2 4.48Å; K632-W636 HydrophobicContact CG-CZ2 4.48Å; K632-W636 HydrophobicContact CG-CZ3 4.07Å
633	S	98.3	Very high	97.3	Very high	53 Å²	53	67.7 Å²	67.7	37%	0.371	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-76.6	160.6	171.2	58.3	0	0	0	0	111.9	D594 K635 W636 Y637	D594-S633 VanDerWaalsContact OD2-CA 3.24Å; D594-S633 WeakPolarHBondContact OD2-CA 3.4Å; S633-K635 VanDerWaalsContact C-N 3.27Å; S633-K635 PolarHBondContact O-N 2.98Å; S633-W636 WeakPolarHBondContact O-CB 3.5Å; S633-W636 PolarHBondContact O-N 2.87Å; S633-W636 VanDerWaalsContact O-N 3.15Å; S633-W636 PolarHBondContact OG-N 3.27Å; S633-Y637 PolarHBondContact O-N 2.81Å
634	F	97.8	Very high	96.9	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-65	-33.8	174.5	-162.6	-107.3	0	0	0	112	F478 W480 F544 M548 W592 L593 D594 Y596 W636 Y637 L638	F478-F634 HydrophobicContact CE1-CZ 4.46Å; F478-F634 AromaticContact CZ-CZ 3.86Å; F478-F634 HydrophobicContact CZ-CZ 3.86Å; W480-F634 HydrophobicContact CH2-CE1 4.07Å; W480-F634 HydrophobicContact CZ2-CE1 4.46Å; F544-F634 HydrophobicContact CD1-CE2 4.07Å; F544-F634 AromaticContact CE1-CE2 3.79Å; F544-F634 HydrophobicContact CE1-CE2 3.79Å; F544-F634 HydrophobicContact CE1-CZ 4.34Å; F544-F634 HydrophobicContact CE2-CE2 4.35Å; F544-F634 HydrophobicContact CG-CE2 4.49Å; F544-F634 AromaticContact CZ-CE2 3.94Å; F544-F634 HydrophobicContact CZ-CE2 3.94Å; F544-F634 HydrophobicContact CZ-CZ 4.3Å; M548-F634 HydrophobicContact CE-CB 4.4Å; M548-F634 HydrophobicContact CE-CD2 4.44Å; M548-F634 HydrophobicContact SD-CD2 4.1Å; W592-F634 WeakPolarHBondContact O-CB 3.29Å; W592-F634 VanDerWaalsContact O-CD2 3.28Å; W592-F634 WeakPolarHBondContact O-CD2 3.49Å; L593-F634 HydrophobicContact CD2-CD1 4.04Å; L593-F634 HydrophobicContact CD2-CD2 3.76Å; L593-F634 HydrophobicContact CD2-CE1 3.68Å; L593-F634 HydrophobicContact CD2-CE2 3.39Å; L593-F634 HydrophobicContact CD2-CG 4.07Å; L593-F634 HydrophobicContact CD2-CZ 3.34Å; L593-F634 WeakPolarHBondContact O-CB 3.5Å; D594-F634 HydrophobicContact CB-CB 4.38Å; D594-F634 PolarHBondContact OD2-N 3.28Å; Y596-F634 HydrophobicContact CD1-CD1 4.46Å; Y596-F634 HydrophobicContact CD2-CB 4.27Å; Y596-F634 AromaticContact CD2-CD1 3.79Å; Y596-F634 HydrophobicContact CD2-CD1 3.79Å; Y596-F634 AromaticContact CG-CD1 3.77Å; Y596-F634 HydrophobicContact CG-CD1 3.77Å; Y596-F634 HydrophobicContact CG-CE1 4.38Å; F634-W636 VanDerWaalsContact C-N 3.33Å; F634-W636 PolarHBondContact O-N 3.36Å; F634-Y637 HydrophobicContact CD2-CD1 4.05Å; F634-Y637 HydrophobicContact CD2-CG 4.44Å; F634-Y637 AromaticContact CE2-CD1 3.53Å; F634-Y637 HydrophobicContact CE2-CD1 3.53Å; F634-Y637 AromaticContact CE2-CE1 3.91Å; F634-Y637 HydrophobicContact CE2-CE1 3.91Å; F634-Y637 HydrophobicContact CE2-CG 4.24Å; F634-Y637 AromaticContact CZ-CD1 3.84Å; F634-Y637 HydrophobicContact CZ-CD1 3.84Å; F634-Y637 HydrophobicContact CZ-CE1 4Å; F634-Y637 WeakPolarHBondContact O-CB 3.3Å; F634-Y637 PolarHBondContact O-N 3.2Å; F634-Y637 VanDerWaalsContact O-N 3.09Å; F634-L638 HydrophobicContact CD1-CD1 3.74Å; F634-L638 HydrophobicContact CD1-CG 4.05Å; F634-L638 HydrophobicContact CE1-CD1 3.72Å; F634-L638 HydrophobicContact CE1-CD2 3.97Å; F634-L638 HydrophobicContact CE1-CG 3.8Å; F634-L638 HydrophobicContact CZ-CD2 4.37Å; F634-L638 HydrophobicContact CZ-CG 4.44Å; F634-L638 PolarHBondContact O-N 3.13Å
635	K	96.4	Very high	96.5	Very high	89 Å²	89	64 Å²	64	39%	0.387	31%	0.309	S	S	.	.	H	α-helix	trans	-54	-47	168.7	175.5	154.1	176.3	48.3	0	112.2	Y596 S633 Y637 L638 D639	Y596-K635 HydrophobicContact CE2-CB 3.94Å; S633-K635 VanDerWaalsContact C-N 3.27Å; S633-K635 PolarHBondContact O-N 2.98Å; K635-Y637 VanDerWaalsContact C-N 3.29Å; K635-Y637 PolarHBondContact O-N 2.8Å; K635-L638 PolarHBondContact O-N 2.93Å; K635-D639 WeakPolarHBondContact CE-OD2 3.02Å; K635-D639 VanDerWaalsContact CG-OD2 3.28Å; K635-D639 WeakPolarHBondContact CG-OD2 3.35Å; K635-D639 IonicContact NZ-OD1 3.77Å; K635-D639 PolarHBondContact NZ-OD1 2.8Å; K635-D639 IonicContact NZ-OD2 3.27Å; K635-D639 PolarHBondContact NZ-OD2 3.14Å; K635-D639 WeakPolarHBondContact O-CB 3.48Å; K635-D639 PolarHBondContact O-N 3.13Å
636	W	97.9	Very high	95.9	Very high	72 Å²	72	68.4 Å²	68.4	27%	0.273	33%	0.334	S	S	.	.	H	α-helix	trans	-61.2	-39.5	176.8	173.8	88	0	0	0	111.9	W547 K632 S633 F634 D639 N640 V641	W547-W636 WeakPolarHBondContact O-CZ3 3.46Å; K632-W636 HydrophobicContact CB-CB 3.97Å; K632-W636 HydrophobicContact CB-CD2 3.61Å; K632-W636 HydrophobicContact CB-CE3 3.41Å; K632-W636 VanDerWaalsContact CB-CE3 3.41Å; K632-W636 HydrophobicContact CB-CG 3.84Å; K632-W636 HydrophobicContact CB-CZ3 4.19Å; K632-W636 HydrophobicContact CD-CD2 4.23Å; K632-W636 HydrophobicContact CD-CG 4.28Å; K632-W636 HydrophobicContact CG-CD2 3.6Å; K632-W636 HydrophobicContact CG-CE3 3.62Å; K632-W636 HydrophobicContact CG-CG 4.05Å; K632-W636 HydrophobicContact CG-CH2 4.48Å; K632-W636 HydrophobicContact CG-CZ2 4.48Å; K632-W636 HydrophobicContact CG-CZ3 4.07Å; S633-W636 WeakPolarHBondContact O-CB 3.5Å; S633-W636 PolarHBondContact O-N 2.87Å; S633-W636 VanDerWaalsContact O-N 3.15Å; S633-W636 PolarHBondContact OG-N 3.27Å; F634-W636 VanDerWaalsContact C-N 3.33Å; F634-W636 PolarHBondContact O-N 3.36Å; W636-D639 PolarHBondContact O-N 2.93Å; W636-N640 HydrophobicContact CD2-CB 4.29Å; W636-N640 HydrophobicContact CZ2-CB 3.93Å; W636-N640 VanDerWaalsContact NE1-CG 3.3Å; W636-N640 PolarHBondContact NE1-ND2 3.13Å; W636-N640 PolarHBondContact NE1-OD1 3.14Å; W636-N640 VanDerWaalsContact O-CB 3.27Å; W636-N640 WeakPolarHBondContact O-CB 3.31Å; W636-N640 PolarHBondContact O-N 2.94Å; W636-N640 PolarHBondContact O-ND2 2.84Å; W636-V641 HydrophobicContact CH2-CG2 4.26Å; W636-V641 HydrophobicContact CZ3-CG2 4.13Å
637	Y	98.3	Very high	95.2	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-61.4	-45.7	176.2	165.5	-85.5	0	0	0	111.4	F478 P508 F544 W547 M548 S633 F634 K635 N640 V641 F642	F478-Y637 HydrophobicContact CE1-CE1 4.02Å; P508-Y637 WeakPolarHBondContact CB-OH 3.33Å; P508-Y637 PolarHBondContact O-OH 3.14Å; F544-Y637 HydrophobicContact CD1-CE1 4.4Å; F544-Y637 HydrophobicContact CD1-CE2 4.08Å; F544-Y637 HydrophobicContact CE1-CE1 4.04Å; F544-Y637 HydrophobicContact CE1-CE2 4.37Å; F544-Y637 AromaticContact CE1-CZ 3.85Å; W547-Y637 HydrophobicContact CB-CD2 3.86Å; W547-Y637 HydrophobicContact CB-CE2 4.12Å; W547-Y637 AromaticContact CD1-CE2 3.83Å; W547-Y637 HydrophobicContact CG-CD2 4.31Å; W547-Y637 HydrophobicContact CG-CE2 4.13Å; M548-Y637 HydrophobicContact CG-CD2 4.34Å; M548-Y637 HydrophobicContact CG-CG 4.44Å; S633-Y637 PolarHBondContact O-N 2.81Å; F634-Y637 HydrophobicContact CD2-CD1 4.05Å; F634-Y637 HydrophobicContact CD2-CG 4.44Å; F634-Y637 AromaticContact CE2-CD1 3.53Å; F634-Y637 HydrophobicContact CE2-CD1 3.53Å; F634-Y637 AromaticContact CE2-CE1 3.91Å; F634-Y637 HydrophobicContact CE2-CE1 3.91Å; F634-Y637 HydrophobicContact CE2-CG 4.24Å; F634-Y637 AromaticContact CZ-CD1 3.84Å; F634-Y637 HydrophobicContact CZ-CD1 3.84Å; F634-Y637 HydrophobicContact CZ-CE1 4Å; F634-Y637 WeakPolarHBondContact O-CB 3.3Å; F634-Y637 PolarHBondContact O-N 3.2Å; F634-Y637 VanDerWaalsContact O-N 3.09Å; K635-Y637 VanDerWaalsContact C-N 3.29Å; K635-Y637 PolarHBondContact O-N 2.8Å; Y637-N640 PolarHBondContact O-N 3.01Å; Y637-V641 HydrophobicContact CD2-CB 3.82Å; Y637-V641 HydrophobicContact CD2-CG1 4.08Å; Y637-V641 HydrophobicContact CD2-CG2 3.97Å; Y637-V641 HydrophobicContact CE2-CB 3.9Å; Y637-V641 HydrophobicContact CE2-CG1 3.67Å; Y637-V641 HydrophobicContact CE2-CG2 4.42Å; Y637-V641 HydrophobicContact CG-CB 4.38Å; Y637-V641 WeakPolarHBondContact O-CA 3.2Å; Y637-V641 WeakPolarHBondContact O-CB 3.36Å; Y637-V641 PolarHBondContact O-N 2.85Å; Y637-F642 HydrophobicContact CE1-CB 4.24Å; Y637-F642 PolarHBondContact O-N 2.7Å
638	L	96.6	Very high	94.6	Very high	5 Å²	5	61.5 Å²	61.5	3%	0.026	31%	0.308	C	S	.	.	H	α-helix	trans	-59.8	-52.7	173.7	-67.4	166.7	0	0	0	110.5	Y596 F634 K635 N640 F642 P643 M645 T647	Y596-L638 HydrophobicContact CD1-CD1 3.69Å; Y596-L638 HydrophobicContact CD2-CD1 4.42Å; Y596-L638 HydrophobicContact CE1-CD1 3.35Å; Y596-L638 HydrophobicContact CE2-CD1 4.16Å; Y596-L638 HydrophobicContact CG-CD1 4.21Å; F634-L638 HydrophobicContact CD1-CD1 3.74Å; F634-L638 HydrophobicContact CD1-CG 4.05Å; F634-L638 HydrophobicContact CE1-CD1 3.72Å; F634-L638 HydrophobicContact CE1-CD2 3.97Å; F634-L638 HydrophobicContact CE1-CG 3.8Å; F634-L638 HydrophobicContact CZ-CD2 4.37Å; F634-L638 HydrophobicContact CZ-CG 4.44Å; F634-L638 PolarHBondContact O-N 3.13Å; K635-L638 PolarHBondContact O-N 2.93Å; L638-N640 VanDerWaalsContact C-N 3.29Å; L638-N640 PolarHBondContact O-N 2.81Å; L638-F642 CarbonylContact O-C 3.59Å; L638-F642 PolarHBondContact O-N 2.97Å; L638-P643 VanDerWaalsContact O-CA 3.22Å; L638-P643 WeakPolarHBondContact O-CA 3.08Å; L638-M645 HydrophobicContact CD2-SD 4.22Å; L638-T647 HydrophobicContact CD1-CG2 4.29Å; L638-T647 HydrophobicContact CD2-CG2 3.87Å
639	D	95.8	Very high	93.9	Very high	84 Å²	84	56.2 Å²	56.2	45%	0.449	30%	0.297	S	S	.	.	H	α-helix	trans	-62.1	-26.6	-177.2	-64.2	-22.2	0	0	0	114.3	K635 W636	K635-D639 WeakPolarHBondContact CE-OD2 3.02Å; K635-D639 VanDerWaalsContact CG-OD2 3.28Å; K635-D639 WeakPolarHBondContact CG-OD2 3.35Å; K635-D639 IonicContact NZ-OD1 3.77Å; K635-D639 PolarHBondContact NZ-OD1 2.8Å; K635-D639 IonicContact NZ-OD2 3.27Å; K635-D639 PolarHBondContact NZ-OD2 3.14Å; K635-D639 WeakPolarHBondContact O-CB 3.48Å; K635-D639 PolarHBondContact O-N 3.13Å; W636-D639 PolarHBondContact O-N 2.93Å
640	N	96.4	Very high	93.4	Very high	73 Å²	73	54.3 Å²	54.3	39%	0.39	29%	0.288	S	S	.	.	H	α-helix	trans	-123.4	-15.8	-167.8	-65	-109.9	0	0	0	115.2	R506 W636 Y637 L638	R506-N640 PolarHBondContact NH1-O 2.9Å; R506-N640 VanDerWaalsContact NH1-O 3.16Å; R506-N640 PolarHBondContact NH2-O 3.37Å; W636-N640 HydrophobicContact CD2-CB 4.29Å; W636-N640 HydrophobicContact CZ2-CB 3.93Å; W636-N640 VanDerWaalsContact NE1-CG 3.3Å; W636-N640 PolarHBondContact NE1-ND2 3.13Å; W636-N640 PolarHBondContact NE1-OD1 3.14Å; W636-N640 VanDerWaalsContact O-CB 3.27Å; W636-N640 WeakPolarHBondContact O-CB 3.31Å; W636-N640 PolarHBondContact O-N 2.94Å; W636-N640 PolarHBondContact O-ND2 2.84Å; Y637-N640 PolarHBondContact O-N 3.01Å; L638-N640 VanDerWaalsContact C-N 3.29Å; L638-N640 PolarHBondContact O-N 2.81Å
641	V	96.6	Very high	93	Very high	8 Å²	8	47.9 Å²	47.9	5%	0.048	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	-40.4	-176.4	-175	0	0	0	0	111.5	P508 W547 W636 Y637 P643	P508-V641 HydrophobicContact CB-CG1 4.44Å; W547-V641 HydrophobicContact CB-CG2 4.21Å; W547-V641 HydrophobicContact CD2-CB 4.41Å; W547-V641 HydrophobicContact CD2-CG1 3.57Å; W547-V641 HydrophobicContact CD2-CG2 3.88Å; W547-V641 VanDerWaalsContact CE2-CG1 3.43Å; W547-V641 HydrophobicContact CE3-CG1 4.18Å; W547-V641 HydrophobicContact CE3-CG2 3.84Å; W547-V641 HydrophobicContact CG-CG1 3.8Å; W547-V641 HydrophobicContact CG-CG2 4.09Å; W547-V641 HydrophobicContact CH2-CG1 4.46Å; W547-V641 HydrophobicContact CZ2-CG1 3.91Å; W547-V641 HydrophobicContact CZ3-CG2 4.48Å; W636-V641 HydrophobicContact CH2-CG2 4.26Å; W636-V641 HydrophobicContact CZ3-CG2 4.13Å; Y637-V641 HydrophobicContact CD2-CB 3.82Å; Y637-V641 HydrophobicContact CD2-CG1 4.08Å; Y637-V641 HydrophobicContact CD2-CG2 3.97Å; Y637-V641 HydrophobicContact CE2-CB 3.9Å; Y637-V641 HydrophobicContact CE2-CG1 3.67Å; Y637-V641 HydrophobicContact CE2-CG2 4.42Å; Y637-V641 HydrophobicContact CG-CB 4.38Å; Y637-V641 WeakPolarHBondContact O-CA 3.2Å; Y637-V641 WeakPolarHBondContact O-CB 3.36Å; Y637-V641 PolarHBondContact O-N 2.85Å; V641-P643 VanDerWaalsContact C-CD 3.48Å
642	F	95.6	Very high	92.6	Very high	10 Å²	10	47 Å²	47	4%	0.044	25%	0.254	C	S	.	.			trans	-133.7	57.1	179.9	-163.3	-164.1	0	0	0	113.3	I477 F478 P508 Y637 L638 D644 M645	I477-F642 HydrophobicContact CB-CE1 4.11Å; I477-F642 HydrophobicContact CB-CE2 4.32Å; I477-F642 HydrophobicContact CB-CZ 3.66Å; I477-F642 HydrophobicContact CD1-CZ 4.32Å; I477-F642 HydrophobicContact CG2-CE1 4.42Å; I477-F642 HydrophobicContact CG2-CE2 3.82Å; I477-F642 HydrophobicContact CG2-CZ 3.69Å; F478-F642 HydrophobicContact CD1-CD1 4.18Å; F478-F642 HydrophobicContact CD1-CE1 4.08Å; F478-F642 AromaticContact CE1-CD1 3.79Å; F478-F642 HydrophobicContact CE1-CD1 3.79Å; F478-F642 HydrophobicContact CE1-CE1 4.04Å; P508-F642 HydrophobicContact CB-CB 4.03Å; P508-F642 HydrophobicContact CB-CD1 4.18Å; P508-F642 HydrophobicContact CB-CD2 4.42Å; P508-F642 HydrophobicContact CB-CG 3.96Å; P508-F642 HydrophobicContact CG-CB 4.11Å; P508-F642 HydrophobicContact CG-CD2 3.98Å; P508-F642 HydrophobicContact CG-CG 3.98Å; Y637-F642 HydrophobicContact CE1-CB 4.24Å; Y637-F642 PolarHBondContact O-N 2.7Å; L638-F642 CarbonylContact O-C 3.59Å; L638-F642 PolarHBondContact O-N 2.97Å; F642-D644 HydrophobicContact CD2-CB 4.3Å; F642-D644 HydrophobicContact CE2-CB 4.24Å; F642-D644 PolarHBondContact O-N 2.87Å; F642-D644 VanDerWaalsContact O-N 3.15Å; F642-M645 HydrophobicContact CD1-CB 3.7Å; F642-M645 HydrophobicContact CD1-CG 4.14Å; F642-M645 HydrophobicContact CD1-SD 3.8Å; F642-M645 HydrophobicContact CD2-CB 4.08Å; F642-M645 HydrophobicContact CE1-CB 3.67Å; F642-M645 HydrophobicContact CE1-CG 3.75Å; F642-M645 HydrophobicContact CE1-SD 3.56Å; F642-M645 VanDerWaalsContact CE1-SD 3.56Å; F642-M645 HydrophobicContact CE2-CB 4.04Å; F642-M645 HydrophobicContact CG-CB 3.91Å; F642-M645 HydrophobicContact CZ-CB 3.83Å; F642-M645 HydrophobicContact CZ-CG 4.08Å; F642-M645 HydrophobicContact CZ-SD 4.44Å; F642-M645 WeakPolarHBondContact O-CB 3.33Å; F642-M645 PolarHBondContact O-N 2.84Å
643	P	92.1	Very high	92.3	Very high	88 Å²	88	44.1 Å²	44.1	57%	0.571	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-13.6	-176.7	30.6	-37.7	0	0	0	113.1	L638 V641 M645	L638-P643 VanDerWaalsContact O-CA 3.22Å; L638-P643 WeakPolarHBondContact O-CA 3.08Å; V641-P643 VanDerWaalsContact C-CD 3.48Å; P643-M645 PolarHBondContact O-N 2.63Å
644	D	89.4	Confident	92.1	Very high	76 Å²	76	42.1 Å²	42.1	41%	0.406	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-4.4	176.6	-32.3	-84.3	0	0	0	112.9	R475 F642	R475-D644 IonicContact CZ-OD2 2.77Å; R475-D644 IonicContact NH1-OD2 3.86Å; R475-D644 PolarHBondContact NH1-OD2 3.15Å; R475-D644 IonicContact NH2-OD1 3.84Å; R475-D644 IonicContact NH2-OD2 2.67Å; R475-D644 PolarHBondContact NH2-OD2 2.82Å; F642-D644 HydrophobicContact CD2-CB 4.3Å; F642-D644 HydrophobicContact CE2-CB 4.24Å; F642-D644 PolarHBondContact O-N 2.87Å; F642-D644 VanDerWaalsContact O-N 3.15Å
645	M	89.3	Confident	92	Very high	22 Å²	22	42.4 Å²	42.4	11%	0.108	23%	0.231	C	C	.	.	S	Bend	trans	-98.3	103.8	-177.8	-162.3	-168.7	-178.6	0	0	111.3	F478 W480 L638 F642 P643 T647	F478-M645 HydrophobicContact CD2-CE 4.05Å; F478-M645 HydrophobicContact CD2-SD 4.46Å; F478-M645 HydrophobicContact CE1-SD 3.99Å; F478-M645 HydrophobicContact CE2-CE 3.54Å; F478-M645 HydrophobicContact CE2-SD 3.71Å; F478-M645 HydrophobicContact CZ-CE 3.93Å; F478-M645 HydrophobicContact CZ-SD 3.41Å; F478-M645 WeakPolarHBondContact CZ-SD 3.35Å; W480-M645 HydrophobicContact CD2-CE 4.18Å; W480-M645 HydrophobicContact CG-CE 4.12Å; W480-M645 HydrophobicContact CZ2-CE 4.38Å; L638-M645 HydrophobicContact CD2-SD 4.22Å; F642-M645 HydrophobicContact CD1-CB 3.7Å; F642-M645 HydrophobicContact CD1-CG 4.14Å; F642-M645 HydrophobicContact CD1-SD 3.8Å; F642-M645 HydrophobicContact CD2-CB 4.08Å; F642-M645 HydrophobicContact CE1-CB 3.67Å; F642-M645 HydrophobicContact CE1-CG 3.75Å; F642-M645 HydrophobicContact CE1-SD 3.56Å; F642-M645 VanDerWaalsContact CE1-SD 3.56Å; F642-M645 HydrophobicContact CE2-CB 4.04Å; F642-M645 HydrophobicContact CG-CB 3.91Å; F642-M645 HydrophobicContact CZ-CB 3.83Å; F642-M645 HydrophobicContact CZ-CG 4.08Å; F642-M645 HydrophobicContact CZ-SD 4.44Å; F642-M645 WeakPolarHBondContact O-CB 3.33Å; F642-M645 PolarHBondContact O-N 2.84Å; P643-M645 PolarHBondContact O-N 2.63Å; M645-T647 HydrophobicContact CB-CG2 4.28Å; M645-T647 HydrophobicContact CE-CG2 4.07Å; M645-T647 HydrophobicContact CG-CG2 3.74Å; M645-T647 WeakPolarHBondContact O-CG2 3.42Å; M645-T647 PolarHBondContact O-N 2.57Å; M645-T647 PolarHBondContact O-OG1 3.26Å; M645-T647 HydrophobicContact SD-CG2 3.65Å
646	D	84.9	Confident	92	Very high	123 Å²	123	38.2 Å²	38.2	66%	0.658	21%	0.213	S	C	*	.			trans	-64	125.9	169.7	-166.6	14.5	0	0	0	110.1	P648	D646-P648 WeakPolarHBondContact OD1-CD 3.3Å
647	T	84.9	Confident	91.9	Very high	21 Å²	21	37.5 Å²	37.5	13%	0.129	21%	0.212	C	C	.	.			trans	-145.2	55.4	-167	43.5	0	0	0	0	111.1	W480 L638 M645 A649	W480-T647 HydrophobicContact CZ2-CG2 3.97Å; L638-T647 HydrophobicContact CD1-CG2 4.29Å; L638-T647 HydrophobicContact CD2-CG2 3.87Å; M645-T647 HydrophobicContact CB-CG2 4.28Å; M645-T647 HydrophobicContact CE-CG2 4.07Å; M645-T647 HydrophobicContact CG-CG2 3.74Å; M645-T647 WeakPolarHBondContact O-CG2 3.42Å; M645-T647 PolarHBondContact O-N 2.57Å; M645-T647 PolarHBondContact O-OG1 3.26Å; M645-T647 HydrophobicContact SD-CG2 3.65Å; T647-A649 PolarHBondContact O-N 2.88Å
648	P	85.1	Confident	91.7	Very high	17 Å²	17	37.5 Å²	37.5	11%	0.11	21%	0.212	C	C	.	.			trans	-62.7	128.2	-178.1	29	-35.7	0	0	0	109.7	D646 V650 W690 H777	D646-P648 WeakPolarHBondContact OD1-CD 3.3Å; P648-V650 PolarHBondContact O-N 3.17Å; P648-W690 HydrophobicContact CG-CZ2 4.17Å; P648-W690 PolarHBondContact O-NE1 3.04Å; P648-H777 HydrophobicContact CB-CB 3.68Å; P648-H777 HydrophobicContact CG-CB 3.71Å
649	A	82.7	Confident	91.6	Very high	66 Å²	66	41.6 Å²	41.6	55%	0.545	23%	0.227	S	C	.	.	S	Bend	trans	-64.1	-14.7	-174.9	0	0	0	0	0	113.9	T647 W690	T647-A649 PolarHBondContact O-N 2.88Å; A649-W690 VanDerWaalsContact O-CD1 3.32Å
650	V	88.2	Confident	91.5	Very high	16 Å²	16	38.5 Å²	38.5	10%	0.097	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	161.1	-177.3	-60.9	0	0	0	0	110.4	P648 E653 N687 H777	P648-V650 PolarHBondContact O-N 3.17Å; V650-E653 HydrophobicContact CG2-CB 4.12Å; V650-N687 HydrophobicContact CG1-CB 3.96Å; V650-H777 PolarHBondContact O-CD2 3.43Å; V650-H777 VanDerWaalsContact O-CD2 3.27Å
651	K	88.6	Confident	91.3	Very high	50 Å²	50	36.5 Å²	36.5	22%	0.217	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-32.9	176.5	-74.5	174.6	172.4	159.3	0	112.3	Y688 W690 H777	K651-Y688 HydrophobicContact CB-CD1 3.74Å; K651-Y688 HydrophobicContact CB-CE1 4.11Å; K651-Y688 HydrophobicContact CD-CD1 4.36Å; K651-Y688 HydrophobicContact CD-CE1 3.93Å; K651-Y688 PolarHBondContact N-O 3.28Å; K651-W690 HydrophobicContact CD-CD2 4.4Å; K651-W690 HydrophobicContact CD-CE3 4.2Å; K651-W690 HydrophobicContact CD-CZ3 4.27Å; K651-W690 HydrophobicContact CG-CD2 3.78Å; K651-W690 HydrophobicContact CG-CE3 3.93Å; K651-W690 HydrophobicContact CG-CG 4.36Å; K651-W690 HydrophobicContact CG-CH2 3.72Å; K651-W690 HydrophobicContact CG-CZ2 3.68Å; K651-W690 HydrophobicContact CG-CZ3 3.89Å; K651-W690 PolarHBondContact NZ-O 3.44Å; K651-H777 PolarHBondContact O-N 3.22Å
652	A	91.3	Very high	91.1	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.008	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	154.9	175.8	0	0	0	0	0	110.7	Y688 F773 R775 Y776	A652-Y688 HydrophobicContact CB-CD1 4.48Å; A652-Y688 PolarHBondContact N-O 2.86Å; A652-Y688 PolarHBondContact O-N 2.83Å; A652-F773 HydrophobicContact CB-CB 3.68Å; A652-F773 HydrophobicContact CB-CD1 3.92Å; A652-F773 HydrophobicContact CB-CD2 4.15Å; A652-F773 HydrophobicContact CB-CG 3.64Å; A652-R775 CarbonylContact C-O 3.49Å; A652-R775 WeakPolarHBondContact CA-O 3.44Å; A652-R775 VanDerWaalsContact CB-O 3.29Å; A652-R775 WeakPolarHBondContact CB-O 3.29Å; A652-Y776 HydrophobicContact CB-CD1 3.79Å; A652-Y776 HydrophobicContact CB-CE1 4.28Å
653	E	93.1	Very high	91.1	Very high	53 Å²	53	48 Å²	48	25%	0.248	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	170.7	-178.6	64.2	-179.3	-164.2	0	0	111.8	V650 F686 N687 R775 H777	V650-E653 HydrophobicContact CG2-CB 4.12Å; E653-F686 CarbonylContact C-O 3.43Å; E653-F686 WeakPolarHBondContact CA-O 3.41Å; E653-N687 WeakPolarHBondContact CB-OD1 3.26Å; E653-R775 HydrophobicContact CG-CB 3.87Å; E653-R775 HydrophobicContact CG-CG 4.33Å; E653-R775 PolarHBondContact N-O 3.46Å; E653-R775 PolarHBondContact O-N 3.15Å; E653-R775 WeakPolarHBondContact OE1-CD 3.33Å; E653-R775 IonicContact OE1-CZ 2.68Å; E653-R775 IonicContact OE1-NE 2.82Å; E653-R775 IonicContact OE1-NH1 3.31Å; E653-R775 PolarHBondContact OE1-NH1 2.92Å; E653-H777 IonicContact OE1-NE2 3.58Å; E653-H777 PolarHBondContact OE1-NE2 3.36Å; E653-H777 VanDerWaalsContact OE1-NE2 3.15Å; E653-H777 IonicContact OE2-NE2 3.18Å
654	G	93.8	Very high	91.2	Very high	10 Å²	10	43.9 Å²	43.9	10%	0.103	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	96.1	-150.8	178.5	0	0	0	0	0	113.2	F686	G654-F686 PolarHBondContact N-O 3.44Å; G654-F686 PolarHBondContact O-N 3.25Å
655	L	95.8	Very high	91.5	Very high	7 Å²	7	40.4 Å²	40.4	4%	0.037	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	142.8	179.5	-41.3	176.4	0	0	0	111.2	C664 C677 D678 L679 Q684 F773 T774	L655-C664 HydrophobicContact CB-CB 4.3Å; L655-C677 HydrophobicContact CD1-CB 3.93Å; L655-D678 WeakPolarHBondContact CD2-O 3.29Å; L655-L679 HydrophobicContact CD1-CD2 3.71Å; L655-L679 HydrophobicContact CD1-CG 4.07Å; L655-L679 HydrophobicContact CG-CD2 3.85Å; L655-Q684 WeakPolarHBondContact CA-O 3.34Å; L655-Q684 HydrophobicContact CD2-CB 3.57Å; L655-F773 CarbonylContact O-C 3.53Å; L655-F773 WeakPolarHBondContact O-CA 3.32Å; L655-T774 VanDerWaalsContact CB-OG1 3.31Å; L655-T774 WeakPolarHBondContact CB-OG1 3.45Å; L655-T774 PolarHBondContact N-OG1 2.89Å; L655-T774 VanDerWaalsContact N-OG1 3.13Å; L655-T774 PolarHBondContact O-N 3.06Å; L655-T774 PolarHBondContact O-OG1 3.26Å
656	V	95.4	Very high	91.7	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	96.8	171.7	-163.5	0	0	0	0	109.3	C664 L665 F686 W771 E772 F773	V656-C664 WeakPolarHBondContact O-CA 3.38Å; V656-L665 HydrophobicContact CB-CB 4.02Å; V656-L665 HydrophobicContact CB-CD2 4.38Å; V656-L665 PolarHBondContact O-N 3.04Å; V656-F686 HydrophobicContact CG2-CB 3.57Å; V656-F686 HydrophobicContact CG2-CD2 3.91Å; V656-F686 HydrophobicContact CG2-CG 3.9Å; V656-W771 HydrophobicContact CG1-CE3 3.9Å; V656-E772 CarbonylContact C-O 3.56Å; V656-E772 WeakPolarHBondContact CA-O 3.49Å; V656-F773 HydrophobicContact CG1-CE2 4.36Å; V656-F773 HydrophobicContact CG1-CZ 4.23Å; V656-F773 HydrophobicContact CG2-CD1 3.94Å; V656-F773 HydrophobicContact CG2-CE1 3.58Å; V656-F773 HydrophobicContact CG2-CZ 4.04Å
657	F	95.7	Very high	91.9	Very high	56 Å²	56	34.6 Å²	34.6	25%	0.246	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	136.8	179.4	177.8	-111.1	0	0	0	111.4	R659 R662 W771 E772	F657-R659 HydrophobicContact CD1-CG 4.3Å; F657-R659 HydrophobicContact CE1-CG 4.01Å; F657-R662 VanDerWaalsContact CE2-C 3.45Å; F657-R662 VanDerWaalsContact CE2-CA 3.5Å; F657-R662 HydrophobicContact CE2-CB 4.21Å; F657-R662 HydrophobicContact CZ-CB 4.18Å; F657-R662 HydrophobicContact CZ-CG 4.38Å; F657-W771 WeakPolarHBondContact O-CA 3.31Å; F657-E772 HydrophobicContact CB-CB 4.38Å; F657-E772 HydrophobicContact CD1-CB 4.41Å; F657-E772 WeakPolarHBondContact CD1-OE2 3.39Å; F657-E772 PolarHBondContact N-O 2.9Å; F657-E772 PolarHBondContact O-N 3.39Å
658	N	95.6	Very high	92	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	120.4	170.3	-172.9	-84	0	0	0	110.3	G660 L661 R662 K663 F674 A750 F768 W771	N658-G660 VanDerWaalsContact C-N 3.28Å; N658-G660 PolarHBondContact O-N 3.25Å; N658-G660 WeakPolarHBondContact OD1-CA 3.49Å; N658-G660 PolarHBondContact OD1-N 3.14Å; N658-L661 PolarHBondContact OD1-N 2.98Å; N658-L661 VanDerWaalsContact OD1-N 3.1Å; N658-R662 WeakPolarHBondContact O-CA 3.37Å; N658-R662 PolarHBondContact O-N 3.37Å; N658-K663 PolarHBondContact N-O 2.92Å; N658-F674 HydrophobicContact CB-CE1 4.23Å; N658-A750 HydrophobicContact CB-CB 4.45Å; N658-A750 WeakPolarHBondContact ND2-CB 3.47Å; N658-F768 PolarHBondContact ND2-O 3.29Å; N658-W771 HydrophobicContact CB-CE3 3.98Å; N658-W771 HydrophobicContact CB-CH2 4.41Å; N658-W771 HydrophobicContact CB-CZ3 3.84Å; N658-W771 WeakPolarHBondContact ND2-CZ2 3.31Å
659	R	93.6	Very high	91.6	Very high	91 Å²	91	46.5 Å²	46.5	34%	0.343	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-29	-177.1	-76.2	-169.7	172.4	168	6.2	113.9	F657 E735 K770 E772	F657-R659 HydrophobicContact CD1-CG 4.3Å; F657-R659 HydrophobicContact CE1-CG 4.01Å; R659-E735 IonicContact CZ-OE1 2.7Å; R659-E735 IonicContact CZ-OE2 3.85Å; R659-E735 IonicContact NH1-OE1 3.83Å; R659-E735 PolarHBondContact NH1-OE1 3.17Å; R659-E735 IonicContact NH1-OE2 3.72Å; R659-E735 PolarHBondContact NH1-OE2 3.43Å; R659-E735 IonicContact NH2-OE1 2.75Å; R659-E735 PolarHBondContact NH2-OE1 2.88Å; R659-K770 HydrophobicContact CB-CB 4.17Å; R659-K770 HydrophobicContact CG-CB 4.39Å; R659-K770 PolarHBondContact N-O 3.24Å; R659-E772 WeakPolarHBondContact CG-OE2 3.45Å; R659-E772 IonicContact CZ-OE1 2.75Å; R659-E772 VanDerWaalsContact CZ-OE1 3.31Å; R659-E772 IonicContact CZ-OE2 3.07Å; R659-E772 IonicContact NE-OE1 2.79Å; R659-E772 PolarHBondContact NE-OE1 3.47Å; R659-E772 IonicContact NE-OE2 2.77Å; R659-E772 PolarHBondContact NE-OE2 3.21Å; R659-E772 IonicContact NH2-OE1 3.6Å; R659-E772 PolarHBondContact NH2-OE1 2.99Å
660	G	92.7	Very high	91.3	Very high	20 Å²	20	49.8 Å²	49.8	21%	0.206	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-51	-179.2	0	0	0	0	0	113.1	N658 V767	N658-G660 VanDerWaalsContact C-N 3.28Å; N658-G660 PolarHBondContact O-N 3.25Å; N658-G660 WeakPolarHBondContact OD1-CA 3.49Å; N658-G660 PolarHBondContact OD1-N 3.14Å; G660-V767 PolarHBondContact N-O 2.04Å
661	L	92.8	Very high	91.1	Very high	31 Å²	31	51.8 Å²	51.8	16%	0.162	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-19.9	177.4	-61.3	-173.3	0	0	0	113.7	N658 K663 F674 A750 P752 D755 F768	N658-L661 PolarHBondContact OD1-N 2.98Å; N658-L661 VanDerWaalsContact OD1-N 3.1Å; L661-K663 HydrophobicContact CB-CB 4.14Å; L661-K663 HydrophobicContact CB-CD 4.43Å; L661-K663 HydrophobicContact CB-CG 4.29Å; L661-K663 PolarHBondContact O-N 3.06Å; L661-F674 HydrophobicContact CD1-CB 4.04Å; L661-F674 HydrophobicContact CD1-CD1 3.99Å; L661-F674 HydrophobicContact CD1-CD2 3.27Å; L661-F674 HydrophobicContact CD1-CE1 4.24Å; L661-F674 HydrophobicContact CD1-CE2 3.58Å; L661-F674 HydrophobicContact CD1-CG 3.5Å; L661-F674 VanDerWaalsContact CD1-CG 3.5Å; L661-F674 HydrophobicContact CD1-CZ 4.06Å; L661-A750 HydrophobicContact CD1-CB 3.65Å; L661-A750 HydrophobicContact CG-CB 3.84Å; L661-P752 HydrophobicContact CD2-CB 3.74Å; L661-D755 WeakPolarHBondContact CD1-OD1 3.3Å; L661-F768 HydrophobicContact CD2-CD1 4.04Å; L661-F768 HydrophobicContact CD2-CE1 3.97Å; L661-F768 HydrophobicContact CG-CD1 4.39Å
662	R	93.6	Very high	91.2	Very high	201 Å²	201	49.9 Å²	49.9	76%	0.758	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	33.3	-169.5	-55.7	-173.9	62.8	165.8	0.3	113.4	F657 N658	F657-R662 VanDerWaalsContact CE2-C 3.45Å; F657-R662 VanDerWaalsContact CE2-CA 3.5Å; F657-R662 HydrophobicContact CE2-CB 4.21Å; F657-R662 HydrophobicContact CZ-CB 4.18Å; F657-R662 HydrophobicContact CZ-CG 4.38Å; N658-R662 WeakPolarHBondContact O-CA 3.37Å; N658-R662 PolarHBondContact O-N 3.37Å
663	K	94.4	Very high	91.1	Very high	57 Å²	57	50.9 Å²	50.9	25%	0.248	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	164.5	178.5	-71.2	-177.6	-178.5	-178.9	0	110.4	N658 L661 F674 E675 D755	N658-K663 PolarHBondContact N-O 2.92Å; L661-K663 HydrophobicContact CB-CB 4.14Å; L661-K663 HydrophobicContact CB-CD 4.43Å; L661-K663 HydrophobicContact CB-CG 4.29Å; L661-K663 PolarHBondContact O-N 3.06Å; K663-F674 HydrophobicContact CB-CB 3.81Å; K663-F674 HydrophobicContact CB-CD1 4.48Å; K663-F674 HydrophobicContact CD-CB 3.53Å; K663-F674 HydrophobicContact CG-CB 4.36Å; K663-E675 WeakPolarHBondContact CA-O 3.33Å; K663-E675 VanDerWaalsContact CB-O 3.29Å; K663-E675 WeakPolarHBondContact CB-O 3.42Å; K663-D755 IonicContact NZ-OD1 2.64Å; K663-D755 PolarHBondContact NZ-OD1 2.9Å; K663-D755 IonicContact NZ-OD2 3.44Å; K663-D755 PolarHBondContact NZ-OD2 3.22Å
664	C	95.2	Very high	91	Very high	2 Å²	2	49 Å²	49	1%	0.014	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	146.8	173	-74.1	0	0	0	0	111.1	L655 V656 F674 E675 C677	L655-C664 HydrophobicContact CB-CB 4.3Å; V656-C664 WeakPolarHBondContact O-CA 3.38Å; C664-F674 WeakPolarHBondContact O-CA 3.15Å; C664-E675 PolarHBondContact N-O 3.46Å; C664-E675 PolarHBondContact O-N 3.28Å; C664-C677 HydrophobicContact CB-CB 3.91Å; C664-C677 WeakPolarHBondContact CB-SG 3.45Å; C664-C677 PolarHBondContact N-SG 3.43Å; C664-C677 WeakPolarHBondContact SG-CB 3.43Å; C664-C677 CovalentContact SG-SG 2.04Å; C664-C677 PolarHBondContact SG-SG 2.91Å
665	L	94.2	Very high	91	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.016	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	134.6	173.5	-167.8	68.6	0	0	0	110.1	V656 L672 F674 Q684 F686 V757	V656-L665 HydrophobicContact CB-CB 4.02Å; V656-L665 HydrophobicContact CB-CD2 4.38Å; V656-L665 PolarHBondContact O-N 3.04Å; L665-L672 HydrophobicContact CD1-CB 4.06Å; L665-L672 HydrophobicContact CD1-CD1 4.22Å; L665-L672 HydrophobicContact CD1-CD2 4.42Å; L665-L672 HydrophobicContact CD1-CG 4.47Å; L665-L672 HydrophobicContact CD2-CD1 4.34Å; L665-L672 HydrophobicContact CD2-CD2 4.43Å; L665-L672 HydrophobicContact CG-CD2 4.29Å; L665-F674 HydrophobicContact CD1-CD1 4.48Å; L665-F674 HydrophobicContact CD1-CE1 3.98Å; L665-F674 HydrophobicContact CD1-CZ 4.4Å; L665-Q684 WeakPolarHBondContact O-CA 3.41Å; L665-F686 HydrophobicContact CB-CE2 4.11Å; L665-F686 HydrophobicContact CD2-CD1 4.27Å; L665-F686 HydrophobicContact CD2-CD2 4.33Å; L665-F686 HydrophobicContact CD2-CE1 3.87Å; L665-F686 HydrophobicContact CD2-CE2 3.96Å; L665-F686 HydrophobicContact CD2-CZ 3.73Å; L665-F686 HydrophobicContact CG-CE1 4.48Å; L665-F686 HydrophobicContact CG-CE2 3.95Å; L665-F686 HydrophobicContact CG-CZ 3.85Å; L665-F686 WeakPolarHBondContact O-CE2 3.4Å; L665-V757 HydrophobicContact CD1-CG2 3.72Å
666	A	93.3	Very high	90.8	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	146.5	177.4	0	0	0	0	0	111	L672 S673 E675 N683 Q684	A666-L672 WeakPolarHBondContact O-CA 3.46Å; A666-S673 PolarHBondContact N-O 3.01Å; A666-S673 PolarHBondContact O-N 3.5Å; A666-E675 HydrophobicContact CB-CB 4.13Å; A666-E675 VanDerWaalsContact CB-CD 3.46Å; A666-E675 HydrophobicContact CB-CG 3.71Å; A666-E675 WeakPolarHBondContact CB-OE2 3.18Å; A666-N683 WeakPolarHBondContact CA-O 3.4Å; A666-Q684 HydrophobicContact CB-CG 3.87Å
667	L	91	Very high	90.8	Very high	23 Å²	23	59.9 Å²	59.9	12%	0.12	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	120	166.1	179.7	62.3	0	0	0	110	L672 N683 H696 L699 L712	L667-L672 HydrophobicContact CD1-CD2 4.49Å; L667-N683 PolarHBondContact N-O 2.82Å; L667-N683 WeakPolarHBondContact O-CB 3.33Å; L667-H696 WeakPolarHBondContact CD2-CD2 3.29Å; L667-L699 HydrophobicContact CD2-CD1 4.12Å; L667-L712 HydrophobicContact CD1-CD1 3.32Å
668	Q	85.8	Confident	90.7	Very high	94 Å²	94	60.4 Å²	60.4	44%	0.439	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	115.3	177.9	-166.4	-179.8	95.2	0	0	110.4	D670 S671 E675	Q668-D670 PolarHBondContact O-N 2.81Å; Q668-S671 PolarHBondContact N-O 3.29Å; Q668-S671 PolarHBondContact O-N 3.28Å; Q668-S671 VanDerWaalsContact O-O 3.14Å; Q668-S671 PolarHBondContact O-OG 3.35Å; Q668-E675 PolarHBondContact NE2-OE1 2.92Å
669	K	77.8	Confident	90.5	Very high	194 Å²	194	66 Å²	66	84%	0.843	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.4	55.5	177	-59.1	177.4	-178.2	174.7	0	112.9	S671	K669-S671 PolarHBondContact O-N 2.81Å; K669-S671 VanDerWaalsContact O-N 3.14Å
670	D	75.8	Confident	90.4	Very high	135 Å²	135	65.8 Å²	65.8	72%	0.722	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	19.7	-179.5	-51.2	-40.8	0	0	0	115.5	Q668	Q668-D670 PolarHBondContact O-N 2.81Å
671	S	84.6	Confident	90.3	Very high	58 Å²	58	66.5 Å²	66.5	41%	0.406	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	153.3	172.9	73.4	0	0	0	0	111.2	Q668 K669	Q668-S671 PolarHBondContact N-O 3.29Å; Q668-S671 PolarHBondContact O-N 3.28Å; Q668-S671 VanDerWaalsContact O-O 3.14Å; Q668-S671 PolarHBondContact O-OG 3.35Å; K669-S671 PolarHBondContact O-N 2.81Å; K669-S671 VanDerWaalsContact O-N 3.14Å
672	L	89.1	Confident	90.2	Very high	11 Å²	11	71 Å²	71	6%	0.058	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	129.6	171.4	-65.2	179	0	0	0	110.2	L665 A666 L667 F686 V701 F710 L712 V757	L665-L672 HydrophobicContact CD1-CB 4.06Å; L665-L672 HydrophobicContact CD1-CD1 4.22Å; L665-L672 HydrophobicContact CD1-CD2 4.42Å; L665-L672 HydrophobicContact CD1-CG 4.47Å; L665-L672 HydrophobicContact CD2-CD1 4.34Å; L665-L672 HydrophobicContact CD2-CD2 4.43Å; L665-L672 HydrophobicContact CG-CD2 4.29Å; A666-L672 WeakPolarHBondContact O-CA 3.46Å; L667-L672 HydrophobicContact CD1-CD2 4.49Å; L672-F686 HydrophobicContact CD2-CE1 3.95Å; L672-F686 HydrophobicContact CD2-CZ 3.78Å; L672-V701 HydrophobicContact CD1-CG1 4.37Å; L672-V701 HydrophobicContact CD1-CG2 4.1Å; L672-F710 HydrophobicContact CB-CE2 4.13Å; L672-F710 HydrophobicContact CB-CZ 3.84Å; L672-F710 HydrophobicContact CD1-CD2 4.12Å; L672-F710 HydrophobicContact CD1-CE2 3.48Å; L672-F710 VanDerWaalsContact CD1-CE2 3.48Å; L672-F710 HydrophobicContact CD1-CZ 3.95Å; L672-F710 HydrophobicContact CG-CE2 3.73Å; L672-F710 HydrophobicContact CG-CZ 3.99Å; L672-L712 HydrophobicContact CD1-CD2 4.17Å; L672-L712 HydrophobicContact CD2-CD1 4.13Å; L672-L712 HydrophobicContact CD2-CD2 4.12Å; L672-L712 HydrophobicContact CG-CD1 4.12Å; L672-L712 HydrophobicContact CG-CD2 4.06Å; L672-L712 HydrophobicContact CG-CG 4.32Å; L672-V757 HydrophobicContact CB-CG2 3.85Å; L672-V757 HydrophobicContact CD1-CG2 4.41Å
673	S	89.6	Confident	90.2	Very high	22 Å²	22	64.9 Å²	64.9	15%	0.154	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	176.8	176.7	65.2	0	0	0	0	111.1	A666	A666-S673 PolarHBondContact N-O 3.01Å; A666-S673 PolarHBondContact O-N 3.5Å
674	F	92.1	Very high	90.2	Very high	13 Å²	13	62.2 Å²	62.2	6%	0.057	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	121.9	175.5	-63.8	-75.4	0	0	0	112.3	N658 L661 K663 C664 L665 A750 D755 V757 W771	N658-F674 HydrophobicContact CB-CE1 4.23Å; L661-F674 HydrophobicContact CD1-CB 4.04Å; L661-F674 HydrophobicContact CD1-CD1 3.99Å; L661-F674 HydrophobicContact CD1-CD2 3.27Å; L661-F674 HydrophobicContact CD1-CE1 4.24Å; L661-F674 HydrophobicContact CD1-CE2 3.58Å; L661-F674 HydrophobicContact CD1-CG 3.5Å; L661-F674 VanDerWaalsContact CD1-CG 3.5Å; L661-F674 HydrophobicContact CD1-CZ 4.06Å; K663-F674 HydrophobicContact CB-CB 3.81Å; K663-F674 HydrophobicContact CB-CD1 4.48Å; K663-F674 HydrophobicContact CD-CB 3.53Å; K663-F674 HydrophobicContact CG-CB 4.36Å; C664-F674 WeakPolarHBondContact O-CA 3.15Å; L665-F674 HydrophobicContact CD1-CD1 4.48Å; L665-F674 HydrophobicContact CD1-CE1 3.98Å; L665-F674 HydrophobicContact CD1-CZ 4.4Å; F674-A750 HydrophobicContact CE1-CB 3.99Å; F674-A750 HydrophobicContact CE2-CB 3.64Å; F674-A750 HydrophobicContact CZ-CB 3.26Å; F674-D755 HydrophobicContact CB-CB 4.45Å; F674-D755 HydrophobicContact CD2-CB 4.07Å; F674-D755 WeakPolarHBondContact CD2-O 3.4Å; F674-V757 HydrophobicContact CE1-CG2 4.48Å; F674-V757 HydrophobicContact CE2-CG2 3.88Å; F674-V757 HydrophobicContact CZ-CG2 3.65Å; F674-W771 AromaticContact CE1-CH2 3.78Å; F674-W771 HydrophobicContact CE1-CH2 3.78Å; F674-W771 AromaticContact CE1-CZ3 3.82Å; F674-W771 HydrophobicContact CE1-CZ3 3.82Å; F674-W771 AromaticContact CZ-CH2 3.79Å; F674-W771 HydrophobicContact CZ-CH2 3.79Å; F674-W771 HydrophobicContact CZ-CZ3 4.32Å
675	E	92	Very high	90.2	Very high	45 Å²	45	64.4 Å²	64.4	21%	0.21	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	170.2	-178.9	-70.8	-179.2	172.4	0	0	111.4	K663 C664 A666 Q668 C677 N681 Q684	K663-E675 WeakPolarHBondContact CA-O 3.33Å; K663-E675 VanDerWaalsContact CB-O 3.29Å; K663-E675 WeakPolarHBondContact CB-O 3.42Å; C664-E675 PolarHBondContact N-O 3.46Å; C664-E675 PolarHBondContact O-N 3.28Å; A666-E675 HydrophobicContact CB-CB 4.13Å; A666-E675 VanDerWaalsContact CB-CD 3.46Å; A666-E675 HydrophobicContact CB-CG 3.71Å; A666-E675 WeakPolarHBondContact CB-OE2 3.18Å; Q668-E675 PolarHBondContact NE2-OE1 2.92Å; E675-C677 PolarHBondContact O-N 2.94Å; E675-N681 PolarHBondContact OE2-ND2 2.92Å; E675-Q684 VanDerWaalsContact CB-NE2 3.27Å; E675-Q684 PolarHBondContact OE2-NE2 2.84Å
676	I	93.6	Very high	90.2	Very high	148 Å²	148	64.4 Å²	64.4	76%	0.759	34%	0.338	S	S	*	.			trans	-65.4	132.4	166.7	-60.9	175.9	0	0	0	107.7	D678 Q684	I676-D678 PolarHBondContact O-N 2.75Å; I676-Q684 PolarHBondContact O-NE2 2.83Å; I676-Q684 PolarHBondContact O-OE1 3.48Å
677	C	94.8	Very high	90.3	Very high	53 Å²	53	67.2 Å²	67.2	36%	0.358	35%	0.354	S	S	.	.			trans	-61.2	118.2	-178.4	-64.3	0	0	0	0	112.2	L655 C664 E675	L655-C677 HydrophobicContact CD1-CB 3.93Å; C664-C677 HydrophobicContact CB-CB 3.91Å; C664-C677 WeakPolarHBondContact CB-SG 3.45Å; C664-C677 PolarHBondContact N-SG 3.43Å; C664-C677 WeakPolarHBondContact SG-CB 3.43Å; C664-C677 CovalentContact SG-SG 2.04Å; C664-C677 PolarHBondContact SG-SG 2.91Å; E675-C677 PolarHBondContact O-N 2.94Å
678	D	93.8	Very high	90.4	Very high	68 Å²	68	66.7 Å²	66.7	36%	0.364	35%	0.35	S	S	.	.			trans	-134.3	115.8	178.2	175.2	7.3	0	0	0	110.3	L655 I676 S680 N681	L655-D678 WeakPolarHBondContact CD2-O 3.29Å; I676-D678 PolarHBondContact O-N 2.75Å; D678-S680 VanDerWaalsContact CG-OG 3.25Å; D678-S680 PolarHBondContact O-N 2.94Å; D678-S680 WeakPolarHBondContact OD1-CB 3.48Å; D678-S680 PolarHBondContact OD1-N 3.47Å; D678-S680 PolarHBondContact OD1-OG 2.95Å; D678-S680 PolarHBondContact OD2-OG 3.32Å; D678-N681 HydrophobicContact CB-CB 3.87Å; D678-N681 PolarHBondContact O-N 2.92Å
679	L	89.8	Confident	90.6	Very high	118 Å²	118	62.6 Å²	62.6	62%	0.618	33%	0.332	S	S	*	.	S	Bend	trans	-66.5	-20.1	179.8	-68.6	167.8	0	0	0	113.5	L655 Q685 T774	L655-L679 HydrophobicContact CD1-CD2 3.71Å; L655-L679 HydrophobicContact CD1-CG 4.07Å; L655-L679 HydrophobicContact CG-CD2 3.85Å; L679-Q685 PolarHBondContact O-NE2 2.85Å; L679-T774 HydrophobicContact CD2-CG2 3.92Å
680	S	91.4	Very high	91.2	Very high	86 Å²	86	53.8 Å²	53.8	60%	0.601	29%	0.293	S	S	*	.	S	Bend	trans	-84.4	-27.2	176.2	76.2	0	0	0	0	112.7	D678 Q682	D678-S680 VanDerWaalsContact CG-OG 3.25Å; D678-S680 PolarHBondContact O-N 2.94Å; D678-S680 WeakPolarHBondContact OD1-CB 3.48Å; D678-S680 PolarHBondContact OD1-N 3.47Å; D678-S680 PolarHBondContact OD1-OG 2.95Å; D678-S680 PolarHBondContact OD2-OG 3.32Å; S680-Q682 PolarHBondContact O-N 3.01Å; S680-Q682 VanDerWaalsContact O-N 3.15Å; S680-Q682 PolarHBondContact O-NE2 3.18Å; S680-Q682 VanDerWaalsContact O-NE2 3.09Å
681	N	92	Very high	91.8	Very high	35 Å²	35	47.5 Å²	47.5	19%	0.187	26%	0.259	C	S	.	.			trans	-67.7	111.3	-179	-174.8	-6.2	0	0	0	110.9	E675 D678 N683 Q684 Q685	E675-N681 PolarHBondContact OE2-ND2 2.92Å; D678-N681 HydrophobicContact CB-CB 3.87Å; D678-N681 PolarHBondContact O-N 2.92Å; N681-N683 VanDerWaalsContact C-N 3.26Å; N681-N683 PolarHBondContact O-N 2.68Å; N681-N683 WeakPolarHBondContact OD1-CB 3.14Å; N681-N683 PolarHBondContact OD1-N 3.27Å; N681-Q684 HydrophobicContact CB-CG 4.3Å; N681-Q684 PolarHBondContact ND2-NE2 2.72Å; N681-Q684 PolarHBondContact O-N 3.31Å; N681-Q685 PolarHBondContact O-NE2 2.79Å; N681-Q685 VanDerWaalsContact O-NE2 3.15Å
682	Q	90.9	Very high	92.1	Very high	124 Å²	124	47.1 Å²	47.1	58%	0.579	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-65.2	-30.5	-179.5	-63.2	-55.5	-67.3	0	0	112.3	S680 Q684 Q685 H696	S680-Q682 PolarHBondContact O-N 3.01Å; S680-Q682 VanDerWaalsContact O-N 3.15Å; S680-Q682 PolarHBondContact O-NE2 3.18Å; S680-Q682 VanDerWaalsContact O-NE2 3.09Å; Q682-Q684 PolarHBondContact O-N 3.03Å; Q682-Q685 WeakPolarHBondContact O-CB 3.42Å; Q682-Q685 WeakPolarHBondContact O-CG 3.36Å; Q682-Q685 PolarHBondContact O-N 3.06Å; Q682-Q685 VanDerWaalsContact O-N 3.15Å; Q682-H696 PolarHBondContact O-CE1 3.19Å; Q682-H696 VanDerWaalsContact O-CE1 3.3Å
683	N	92.8	Very high	92.3	Very high	73 Å²	73	46.8 Å²	46.8	39%	0.39	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-68.9	-14.5	-178.7	-61.7	-11.4	0	0	0	113.2	A666 L667 N681	A666-N683 WeakPolarHBondContact CA-O 3.4Å; L667-N683 PolarHBondContact N-O 2.82Å; L667-N683 WeakPolarHBondContact O-CB 3.33Å; N681-N683 VanDerWaalsContact C-N 3.26Å; N681-N683 PolarHBondContact O-N 2.68Å; N681-N683 WeakPolarHBondContact OD1-CB 3.14Å; N681-N683 PolarHBondContact OD1-N 3.27Å
684	Q	94.4	Very high	92.5	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.009	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-98.1	-0.1	177.2	-62.7	-179.5	18.9	0	0	113.4	L655 L665 A666 E675 I676 N681 Q682 F686	L655-Q684 WeakPolarHBondContact CA-O 3.34Å; L655-Q684 HydrophobicContact CD2-CB 3.57Å; L665-Q684 WeakPolarHBondContact O-CA 3.41Å; A666-Q684 HydrophobicContact CB-CG 3.87Å; E675-Q684 VanDerWaalsContact CB-NE2 3.27Å; E675-Q684 PolarHBondContact OE2-NE2 2.84Å; I676-Q684 PolarHBondContact O-NE2 2.83Å; I676-Q684 PolarHBondContact O-OE1 3.48Å; N681-Q684 HydrophobicContact CB-CG 4.3Å; N681-Q684 PolarHBondContact ND2-NE2 2.72Å; N681-Q684 PolarHBondContact O-N 3.31Å; Q682-Q684 PolarHBondContact O-N 3.03Å; Q684-F686 WeakPolarHBondContact O-CD2 3.34Å
685	Q	94.6	Very high	92.5	Very high	47 Å²	47	49.4 Å²	49.4	22%	0.22	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-84	121.2	179.9	-52.1	-59.8	-39.7	0	0	110.5	L679 N681 Q682 H696	L679-Q685 PolarHBondContact O-NE2 2.85Å; N681-Q685 PolarHBondContact O-NE2 2.79Å; N681-Q685 VanDerWaalsContact O-NE2 3.15Å; Q682-Q685 WeakPolarHBondContact O-CB 3.42Å; Q682-Q685 WeakPolarHBondContact O-CG 3.36Å; Q682-Q685 PolarHBondContact O-N 3.06Å; Q682-Q685 VanDerWaalsContact O-N 3.15Å; Q685-H696 PolarHBondContact O-ND1 3.03Å
686	F	95.3	Very high	92.5	Very high	3 Å²	3	47.9 Å²	47.9	1%	0.013	25%	0.248	C	C	.	.			trans	-132.2	148.8	174.6	-64.7	-106	0	0	0	111.2	E653 G654 V656 L665 L672 Q684 I694 R695 H696	E653-F686 CarbonylContact C-O 3.43Å; E653-F686 WeakPolarHBondContact CA-O 3.41Å; G654-F686 PolarHBondContact N-O 3.44Å; G654-F686 PolarHBondContact O-N 3.25Å; V656-F686 HydrophobicContact CG2-CB 3.57Å; V656-F686 HydrophobicContact CG2-CD2 3.91Å; V656-F686 HydrophobicContact CG2-CG 3.9Å; L665-F686 HydrophobicContact CB-CE2 4.11Å; L665-F686 HydrophobicContact CD2-CD1 4.27Å; L665-F686 HydrophobicContact CD2-CD2 4.33Å; L665-F686 HydrophobicContact CD2-CE1 3.87Å; L665-F686 HydrophobicContact CD2-CE2 3.96Å; L665-F686 HydrophobicContact CD2-CZ 3.73Å; L665-F686 HydrophobicContact CG-CE1 4.48Å; L665-F686 HydrophobicContact CG-CE2 3.95Å; L665-F686 HydrophobicContact CG-CZ 3.85Å; L665-F686 WeakPolarHBondContact O-CE2 3.4Å; L672-F686 HydrophobicContact CD2-CE1 3.95Å; L672-F686 HydrophobicContact CD2-CZ 3.78Å; Q684-F686 WeakPolarHBondContact O-CD2 3.34Å; F686-I694 HydrophobicContact CB-CG2 4.5Å; F686-I694 HydrophobicContact CD1-CG2 4.09Å; F686-R695 WeakPolarHBondContact CA-O 3.32Å; F686-H696 HydrophobicContact CD1-CB 3.68Å; F686-H696 HydrophobicContact CE1-CB 3.64Å; F686-H696 HydrophobicContact CG-CB 4.36Å; F686-H696 HydrophobicContact CZ-CB 4.26Å
687	N	94.3	Very high	92.3	Very high	59 Å²	59	47.6 Å²	47.6	32%	0.316	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	133.8	177.7	-72.9	-5.5	0	0	0	110.5	V650 E653 R695	V650-N687 HydrophobicContact CG1-CB 3.96Å; E653-N687 WeakPolarHBondContact CB-OD1 3.26Å; N687-R695 PolarHBondContact N-O 3.02Å; N687-R695 PolarHBondContact O-N 2.03Å
688	Y	93.3	Very high	92	Very high	13 Å²	13	50.4 Å²	50.4	5%	0.051	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	109.7	169	176.7	-123.5	0	0	0	109.3	K651 A652 K692 S693 W724 Y726 F773	K651-Y688 HydrophobicContact CB-CD1 3.74Å; K651-Y688 HydrophobicContact CB-CE1 4.11Å; K651-Y688 HydrophobicContact CD-CD1 4.36Å; K651-Y688 HydrophobicContact CD-CE1 3.93Å; K651-Y688 PolarHBondContact N-O 3.28Å; A652-Y688 HydrophobicContact CB-CD1 4.48Å; A652-Y688 PolarHBondContact N-O 2.86Å; A652-Y688 PolarHBondContact O-N 2.83Å; Y688-K692 HydrophobicContact CE2-CB 4.04Å; Y688-S693 WeakPolarHBondContact CA-O 3.24Å; Y688-W724 WeakPolarHBondContact CE2-O 3.18Å; Y688-W724 PolarHBondContact OH-O 2.94Å; Y688-Y726 HydrophobicContact CD1-CD1 4.19Å; Y688-Y726 AromaticContact CE1-CD1 3.97Å; Y688-Y726 HydrophobicContact CE1-CD1 3.97Å; Y688-Y726 PolarHBondContact OH-N 2.89Å; Y688-F773 HydrophobicContact CG-CZ 4.4Å
689	T	91.5	Very high	91.9	Very high	8 Å²	8	49.3 Å²	49.3	5%	0.049	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	166.5	-168	70.2	0	0	0	0	113.4	L691 K692 S693 R695	T689-L691 PolarHBondContact O-N 3.16Å; T689-L691 PolarHBondContact OG1-N 3.12Å; T689-K692 PolarHBondContact O-N 3.13Å; T689-K692 PolarHBondContact OG1-N 2.89Å; T689-S693 WeakPolarHBondContact CG2-OG 3.17Å; T689-S693 PolarHBondContact N-O 2.75Å; T689-S693 PolarHBondContact OG1-N 3Å; T689-S693 PolarHBondContact OG1-O 3.35Å; T689-S693 PolarHBondContact OG1-OG 3.11Å; T689-R695 HydrophobicContact CG2-CB 4.42Å
690	W	88.7	Confident	92.1	Very high	8 Å²	8	43.7 Å²	43.7	3%	0.03	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-33.9	170.9	-74.4	92.8	0	0	0	112.9	D598 L599 G602 H603 P648 A649 K651 K692 Q779	D598-W690 VanDerWaalsContact O-CB 3.28Å; D598-W690 WeakPolarHBondContact O-CB 3.39Å; L599-W690 HydrophobicContact CB-CG 4.49Å; L599-W690 HydrophobicContact CD2-CD2 3.72Å; L599-W690 HydrophobicContact CD2-CE3 4.39Å; L599-W690 HydrophobicContact CD2-CG 3.94Å; L599-W690 HydrophobicContact CD2-CZ2 4.19Å; L599-W690 HydrophobicContact CG-CD2 4.26Å; L599-W690 HydrophobicContact CG-CG 3.93Å; G602-W690 WeakPolarHBondContact CA-O 3.34Å; H603-W690 AromaticContact CD2-CE3 3.72Å; H603-W690 AromaticContact CD2-CZ3 3.98Å; H603-W690 AromaticContact NE2-CE3 3.63Å; H603-W690 AromaticContact NE2-CZ3 3.39Å; H603-W690 WeakPolarHBondContact NE2-CZ3 3.33Å; P648-W690 HydrophobicContact CG-CZ2 4.17Å; P648-W690 PolarHBondContact O-NE1 3.04Å; A649-W690 VanDerWaalsContact O-CD1 3.32Å; K651-W690 HydrophobicContact CD-CD2 4.4Å; K651-W690 HydrophobicContact CD-CE3 4.2Å; K651-W690 HydrophobicContact CD-CZ3 4.27Å; K651-W690 HydrophobicContact CG-CD2 3.78Å; K651-W690 HydrophobicContact CG-CE3 3.93Å; K651-W690 HydrophobicContact CG-CG 4.36Å; K651-W690 HydrophobicContact CG-CH2 3.72Å; K651-W690 HydrophobicContact CG-CZ2 3.68Å; K651-W690 HydrophobicContact CG-CZ3 3.89Å; K651-W690 PolarHBondContact NZ-O 3.44Å; W690-K692 PolarHBondContact O-N 2.85Å; W690-Q779 HydrophobicContact CH2-CG 3.92Å
691	L	89.5	Confident	92.2	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.016	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	8.8	175.6	-73	170.9	0	0	0	114.9	D598 Q606 L609 T689 S693 N717	D598-L691 HydrophobicContact CB-CD1 4.01Å; D598-L691 HydrophobicContact CB-CG 4.46Å; D598-L691 WeakPolarHBondContact OD1-CD1 3.39Å; Q606-L691 HydrophobicContact CB-CD2 4.47Å; Q606-L691 HydrophobicContact CG-CD2 3.74Å; Q606-L691 PolarHBondContact NE2-O 2.59Å; L609-L691 HydrophobicContact CD1-CD1 4.07Å; L609-L691 HydrophobicContact CD1-CD2 3.66Å; T689-L691 PolarHBondContact O-N 3.16Å; T689-L691 PolarHBondContact OG1-N 3.12Å; L691-S693 VanDerWaalsContact C-N 3.31Å; L691-S693 PolarHBondContact O-N 2.83Å; L691-N717 HydrophobicContact CD1-CB 3.73Å; L691-N717 VanDerWaalsContact CD1-CG 3.44Å; L691-N717 VanDerWaalsContact CD1-ND2 3.34Å; L691-N717 WeakPolarHBondContact CD1-ND2 3.47Å
692	K	91.1	Very high	92.2	Very high	51 Å²	51	38.3 Å²	38.3	22%	0.222	19%	0.185	C	C	.	.	S	Bend	trans	67.1	23.6	176.1	-43.4	177.3	-165.2	162.7	0	114.7	Y688 T689 W690 W724 E740	Y688-K692 HydrophobicContact CE2-CB 4.04Å; T689-K692 PolarHBondContact O-N 3.13Å; T689-K692 PolarHBondContact OG1-N 2.89Å; W690-K692 PolarHBondContact O-N 2.85Å; K692-W724 PolarHBondContact O-N 3.14Å; K692-E740 VanDerWaalsContact CD-OE1 3.3Å; K692-E740 WeakPolarHBondContact CD-OE1 3.33Å; K692-E740 WeakPolarHBondContact CD-OE2 3.19Å; K692-E740 WeakPolarHBondContact CE-OE1 3.22Å; K692-E740 IonicContact NZ-OE1 3.55Å; K692-E740 PolarHBondContact NZ-OE1 2.85Å; K692-E740 IonicContact NZ-OE2 3.03Å; K692-E740 PolarHBondContact NZ-OE2 3.45Å
693	S	92.3	Very high	92.1	Very high	4 Å²	4	32.5 Å²	32.5	3%	0.028	16%	0.158	C	C	.	.			trans	-90.1	142.4	171.6	54.3	0	0	0	0	111.4	Y688 T689 L691 L722	Y688-S693 WeakPolarHBondContact CA-O 3.24Å; T689-S693 WeakPolarHBondContact CG2-OG 3.17Å; T689-S693 PolarHBondContact N-O 2.75Å; T689-S693 PolarHBondContact OG1-N 3Å; T689-S693 PolarHBondContact OG1-O 3.35Å; T689-S693 PolarHBondContact OG1-OG 3.11Å; L691-S693 VanDerWaalsContact C-N 3.31Å; L691-S693 PolarHBondContact O-N 2.83Å; S693-L722 WeakPolarHBondContact CA-O 3.38Å
694	I	94.1	Very high	91.7	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	114.4	169.6	-49.8	164.5	0	0	0	106.3	F686 C700 V701 W724 L737	F686-I694 HydrophobicContact CB-CG2 4.5Å; F686-I694 HydrophobicContact CD1-CG2 4.09Å; I694-C700 VanDerWaalsContact O-CA 3.31Å; I694-C700 WeakPolarHBondContact O-CA 3.47Å; I694-V701 HydrophobicContact CB-CB 4.2Å; I694-V701 HydrophobicContact CB-CG2 3.92Å; I694-V701 HydrophobicContact CD1-CB 4.4Å; I694-V701 HydrophobicContact CG2-CG2 3.91Å; I694-V701 PolarHBondContact O-N 3.44Å; I694-W724 HydrophobicContact CD1-CB 4.16Å; I694-W724 HydrophobicContact CD1-CD2 3.92Å; I694-W724 HydrophobicContact CD1-CG 3.66Å; I694-W724 HydrophobicContact CG1-CB 4.26Å; I694-W724 HydrophobicContact CG1-CG 4Å; I694-L737 HydrophobicContact CD1-CD1 3.96Å; I694-L737 HydrophobicContact CD1-CD2 3.93Å; I694-L737 HydrophobicContact CD1-CG 4.42Å; I694-L737 HydrophobicContact CG1-CD2 4.34Å
695	R	93.3	Very high	90.5	Very high	88 Å²	88	36.8 Å²	36.8	33%	0.332	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	134	-169.9	177.5	168.6	-176.9	-167.1	-1.9	111.6	F686 N687 T689 Q697 D698 L699 C715	F686-R695 WeakPolarHBondContact CA-O 3.32Å; N687-R695 PolarHBondContact N-O 3.02Å; N687-R695 PolarHBondContact O-N 2.03Å; T689-R695 HydrophobicContact CG2-CB 4.42Å; R695-Q697 VanDerWaalsContact CG-O 3.25Å; R695-Q697 WeakPolarHBondContact CG-O 3.11Å; R695-Q697 PolarHBondContact NE-O 3.01Å; R695-Q697 PolarHBondContact NH2-O 2.63Å; R695-D698 IonicContact CZ-OD1 2.67Å; R695-D698 IonicContact NH2-OD1 4Å; R695-D698 PolarHBondContact NH2-OD1 3.39Å; R695-L699 CarbonylContact C-O 3.43Å; R695-L699 WeakPolarHBondContact CA-O 3.34Å; R695-C715 VanDerWaalsContact CG-SG 3.57Å
696	H	92.2	Very high	89.2	Confident	12 Å²	12	39.9 Å²	39.9	6%	0.056	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	119	165.8	174.8	91.5	0	0	0	108.3	L667 Q682 Q685 F686 D698 L699	L667-H696 WeakPolarHBondContact CD2-CD2 3.29Å; Q682-H696 PolarHBondContact O-CE1 3.19Å; Q682-H696 VanDerWaalsContact O-CE1 3.3Å; Q685-H696 PolarHBondContact O-ND1 3.03Å; F686-H696 HydrophobicContact CD1-CB 3.68Å; F686-H696 HydrophobicContact CE1-CB 3.64Å; F686-H696 HydrophobicContact CG-CB 4.36Å; F686-H696 HydrophobicContact CZ-CB 4.26Å; H696-D698 PolarHBondContact O-N 2.86Å; H696-D698 VanDerWaalsContact O-N 3.11Å; H696-L699 PolarHBondContact N-O 2.87Å; H696-L699 PolarHBondContact O-N 3.37Å
697	Q	87.8	Confident	87.7	Confident	143 Å²	143	42.9 Å²	42.9	67%	0.668	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.3	-117.2	-169.6	-60.1	-179.2	17.4	0	0	110.2	R695	R695-Q697 VanDerWaalsContact CG-O 3.25Å; R695-Q697 WeakPolarHBondContact CG-O 3.11Å; R695-Q697 PolarHBondContact NE-O 3.01Å; R695-Q697 PolarHBondContact NH2-O 2.63Å
698	D	88.7	Confident	86.4	Confident	111 Å²	111	42.7 Å²	42.7	59%	0.594	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.1	6	177	-66.7	-37.7	0	0	0	114.7	R695 H696 P714 C715	R695-D698 IonicContact CZ-OD1 2.67Å; R695-D698 IonicContact NH2-OD1 4Å; R695-D698 PolarHBondContact NH2-OD1 3.39Å; H696-D698 PolarHBondContact O-N 2.86Å; H696-D698 VanDerWaalsContact O-N 3.11Å; D698-P714 WeakPolarHBondContact O-CA 3.34Å; D698-C715 PolarHBondContact O-N 3.27Å; D698-C715 PolarHBondContact O-SG 3.36Å
699	L	92.9	Very high	85.4	Confident	46 Å²	46	43.1 Å²	43.1	24%	0.241	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	138.7	174.7	-63.4	178.1	0	0	0	111.4	L667 R695 H696 V713 C715	L667-L699 HydrophobicContact CD2-CD1 4.12Å; R695-L699 CarbonylContact C-O 3.43Å; R695-L699 WeakPolarHBondContact CA-O 3.34Å; H696-L699 PolarHBondContact N-O 2.87Å; H696-L699 PolarHBondContact O-N 3.37Å; L699-V713 WeakPolarHBondContact CA-O 3.22Å; L699-C715 PolarHBondContact O-SG 2.79Å
700	C	94.2	Very high	85	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	144.3	176.3	-83.2	0	0	0	0	110.8	I694 A702 V713 C715 L722	I694-C700 VanDerWaalsContact O-CA 3.31Å; I694-C700 WeakPolarHBondContact O-CA 3.47Å; C700-A702 PolarHBondContact O-N 3.49Å; C700-V713 PolarHBondContact N-O 3Å; C700-V713 PolarHBondContact O-N 2.85Å; C700-V713 VanDerWaalsContact O-N 3.13Å; C700-C715 HydrophobicContact CB-CB 4.02Å; C700-C715 WeakPolarHBondContact CB-SG 3.28Å; C700-C715 PolarHBondContact N-SG 3.35Å; C700-C715 VanDerWaalsContact N-SG 3.36Å; C700-C715 WeakPolarHBondContact SG-CB 3.49Å; C700-C715 CovalentContact SG-SG 2.04Å; C700-C715 PolarHBondContact SG-SG 3.26Å; C700-L722 HydrophobicContact CB-CD1 3.89Å; C700-L722 HydrophobicContact CB-CD2 4.17Å; C700-L722 HydrophobicContact CB-CG 4.48Å
701	V	92.9	Very high	84.9	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.012	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	120.3	175	-169	0	0	0	0	109.5	L672 I694 F710 L712 W724	L672-V701 HydrophobicContact CD1-CG1 4.37Å; L672-V701 HydrophobicContact CD1-CG2 4.1Å; I694-V701 HydrophobicContact CB-CB 4.2Å; I694-V701 HydrophobicContact CB-CG2 3.92Å; I694-V701 HydrophobicContact CD1-CB 4.4Å; I694-V701 HydrophobicContact CG2-CG2 3.91Å; I694-V701 PolarHBondContact O-N 3.44Å; V701-F710 HydrophobicContact CG1-CD2 4.02Å; V701-L712 HydrophobicContact CG2-CD2 4.1Å; V701-W724 HydrophobicContact CG1-CZ2 3.87Å; V701-W724 PolarHBondContact O-NE1 3.33Å
702	A	91.6	Very high	85	Confident	6 Å²	6	47.3 Å²	47.3	5%	0.05	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	132.7	-179.1	0	0	0	0	0	111.8	C700 F710 A711 V713 E721 L722	C700-A702 PolarHBondContact O-N 3.49Å; A702-F710 CarbonylContact O-C 3.57Å; A702-F710 WeakPolarHBondContact O-CA 3.41Å; A702-F710 WeakPolarHBondContact O-CB 3.42Å; A702-A711 HydrophobicContact CB-CB 4.4Å; A702-A711 PolarHBondContact N-O 2.91Å; A702-A711 PolarHBondContact O-N 3.05Å; A702-V713 HydrophobicContact CB-CG1 4.42Å; A702-V713 HydrophobicContact CB-CG2 3.92Å; A702-E721 WeakPolarHBondContact CA-O 3.49Å; A702-L722 HydrophobicContact CB-CD2 3.49Å; A702-L722 VanDerWaalsContact CB-CD2 3.49Å
703	A	89.2	Confident	85	Confident	2 Å²	2	46.8 Å²	46.8	2%	0.017	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	127.9	169	0	0	0	0	0	110.8	E721 W724 S739 F741 V742 L759	A703-E721 PolarHBondContact N-O 2.96Å; A703-E721 WeakPolarHBondContact O-CB 3.41Å; A703-W724 HydrophobicContact CB-CH2 4.03Å; A703-W724 HydrophobicContact CB-CZ2 3.98Å; A703-S739 WeakPolarHBondContact CB-OG 3.49Å; A703-F741 WeakPolarHBondContact O-CD1 3.39Å; A703-V742 HydrophobicContact CB-CG2 4.32Å; A703-L759 HydrophobicContact CB-CD1 3.76Å
704	Q	83.8	Confident	85	Confident	80 Å²	80	51.1 Å²	51.1	37%	0.374	30%	0.304	S	S	.	.			trans	-82.5	145.5	174.2	-62	179.7	-10.1	0	0	110.7	T706 G709 F710	Q704-T706 VanDerWaalsContact C-N 3.31Å; Q704-T706 PolarHBondContact O-N 3.02Å; Q704-G709 WeakPolarHBondContact CB-O 3.47Å; Q704-G709 PolarHBondContact N-O 3.1Å; Q704-F710 PolarHBondContact NE2-O 3.29Å
705	S	69.8	Low	84.8	Confident	85 Å²	85	52.7 Å²	52.7	59%	0.594	32%	0.315	S	S	*	.	S	Bend	trans	-76.4	-15.7	179.2	47.8	0	0	0	0	114
706	T	66.7	Low	84.6	Confident	112 Å²	112	51 Å²	51	69%	0.687	31%	0.312	S	S	*	.	S	Bend	trans	-132.1	117.6	-175	52.7	0	0	0	0	111	Q704	Q704-T706 VanDerWaalsContact C-N 3.31Å; Q704-T706 PolarHBondContact O-N 3.02Å
707	G	64.3	Low	84.3	Confident	66 Å²	66	52.5 Å²	52.5	68%	0.68	32%	0.321	S	S	*	.	S	Bend	trans	92.3	-169.1	-179.4	0	0	0	0	0	113.8	G709	G707-G709 VanDerWaalsContact C-N 3.34Å
708	S	67.1	Low	84.1	Confident	55 Å²	55	49 Å²	49	39%	0.385	31%	0.31	S	S	.	.	S	Bend	trans	-95.1	17	177.8	58	0	0	0	0	113.3	L759	S708-L759 WeakPolarHBondContact CB-O 3.46Å; S708-L759 PolarHBondContact O-N 3.47Å
709	G	72.8	Confident	84	Confident	22 Å²	22	47.1 Å²	47.1	23%	0.227	30%	0.296	C	S	.	.			trans	-84.1	150.6	-173.6	0	0	0	0	0	113.8	Q704 G707 L759	Q704-G709 WeakPolarHBondContact CB-O 3.47Å; Q704-G709 PolarHBondContact N-O 3.1Å; G707-G709 VanDerWaalsContact C-N 3.34Å; G709-L759 WeakPolarHBondContact O-CD1 3.4Å
710	F	82.7	Confident	83.7	Confident	43 Å²	43	51.3 Å²	51.3	19%	0.189	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	169.1	160.8	77.2	-79.3	0	0	0	108.4	L672 V701 A702 Q704 L712 V757	L672-F710 HydrophobicContact CB-CE2 4.13Å; L672-F710 HydrophobicContact CB-CZ 3.84Å; L672-F710 HydrophobicContact CD1-CD2 4.12Å; L672-F710 HydrophobicContact CD1-CE2 3.48Å; L672-F710 VanDerWaalsContact CD1-CE2 3.48Å; L672-F710 HydrophobicContact CD1-CZ 3.95Å; L672-F710 HydrophobicContact CG-CE2 3.73Å; L672-F710 HydrophobicContact CG-CZ 3.99Å; V701-F710 HydrophobicContact CG1-CD2 4.02Å; A702-F710 CarbonylContact O-C 3.57Å; A702-F710 WeakPolarHBondContact O-CA 3.41Å; A702-F710 WeakPolarHBondContact O-CB 3.42Å; Q704-F710 PolarHBondContact NE2-O 3.29Å; F710-L712 HydrophobicContact CE2-CG 4.23Å; F710-V757 HydrophobicContact CD1-CB 4.13Å; F710-V757 HydrophobicContact CD1-CG1 4.16Å; F710-V757 VanDerWaalsContact CD1-O 3.29Å; F710-V757 WeakPolarHBondContact CD1-O 3.47Å; F710-V757 HydrophobicContact CE1-CB 3.69Å; F710-V757 HydrophobicContact CE1-CG1 4.2Å; F710-V757 WeakPolarHBondContact CE1-O 3.34Å; F710-V757 HydrophobicContact CZ-CB 4.17Å
711	A	87	Confident	83.4	Confident	27 Å²	27	54 Å²	54	22%	0.223	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	153.8	166.6	0	0	0	0	0	110.5	A702 V713	A702-A711 HydrophobicContact CB-CB 4.4Å; A702-A711 PolarHBondContact N-O 2.91Å; A702-A711 PolarHBondContact O-N 3.05Å; A711-V713 HydrophobicContact CB-CG1 3.93Å
712	L	89.8	Confident	83.3	Confident	36 Å²	36	54.1 Å²	54.1	19%	0.188	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	126.7	158	-66.6	176.1	0	0	0	107.7	L667 L672 V701 F710	L667-L712 HydrophobicContact CD1-CD1 3.32Å; L672-L712 HydrophobicContact CD1-CD2 4.17Å; L672-L712 HydrophobicContact CD2-CD1 4.13Å; L672-L712 HydrophobicContact CD2-CD2 4.12Å; L672-L712 HydrophobicContact CG-CD1 4.12Å; L672-L712 HydrophobicContact CG-CD2 4.06Å; L672-L712 HydrophobicContact CG-CG 4.32Å; V701-L712 HydrophobicContact CG2-CD2 4.1Å; F710-L712 HydrophobicContact CE2-CG 4.23Å
713	V	91.8	Very high	83.2	Confident	40 Å²	40	55.3 Å²	55.3	24%	0.242	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	157	-179.5	-57.3	0	0	0	0	110	L699 C700 A702 A711 C715 L722	L699-V713 WeakPolarHBondContact CA-O 3.22Å; C700-V713 PolarHBondContact N-O 3Å; C700-V713 PolarHBondContact O-N 2.85Å; C700-V713 VanDerWaalsContact O-N 3.13Å; A702-V713 HydrophobicContact CB-CG1 4.42Å; A702-V713 HydrophobicContact CB-CG2 3.92Å; A711-V713 HydrophobicContact CB-CG1 3.93Å; V713-C715 PolarHBondContact O-N 3.26Å; V713-L722 HydrophobicContact CG2-CD2 3.59Å
714	P	92.9	Very high	83.3	Confident	96 Å²	96	55.2 Å²	55.2	62%	0.623	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.5	131.4	171.4	-26.7	35.6	0	0	0	111.6	D698 D716	D698-P714 WeakPolarHBondContact O-CA 3.34Å; P714-D716 PolarHBondContact O-N 3.24Å
715	C	90.3	Very high	83.6	Confident	35 Å²	35	52.7 Å²	52.7	24%	0.236	32%	0.315	C	S	.	.			trans	-60.6	126.2	-178.4	-71	0	0	0	0	112.1	R695 D698 L699 C700 V713	R695-C715 VanDerWaalsContact CG-SG 3.57Å; D698-C715 PolarHBondContact O-N 3.27Å; D698-C715 PolarHBondContact O-SG 3.36Å; L699-C715 PolarHBondContact O-SG 2.79Å; C700-C715 HydrophobicContact CB-CB 4.02Å; C700-C715 WeakPolarHBondContact CB-SG 3.28Å; C700-C715 PolarHBondContact N-SG 3.35Å; C700-C715 VanDerWaalsContact N-SG 3.36Å; C700-C715 WeakPolarHBondContact SG-CB 3.49Å; C700-C715 CovalentContact SG-SG 2.04Å; C700-C715 PolarHBondContact SG-SG 3.26Å; V713-C715 PolarHBondContact O-N 3.26Å
716	D	89.3	Confident	84.4	Confident	51 Å²	51	49.3 Å²	49.3	27%	0.273	29%	0.29	S	S	.	.			trans	-140.8	103.6	176.2	172.3	-4.8	0	0	0	108.7	P714 T718 K719 L722	P714-D716 PolarHBondContact O-N 3.24Å; D716-T718 PolarHBondContact O-N 3.43Å; D716-T718 WeakPolarHBondContact OD1-CB 3.33Å; D716-T718 PolarHBondContact OD1-N 2.97Å; D716-T718 PolarHBondContact OD1-OG1 3.39Å; D716-K719 HydrophobicContact CB-CD 3.89Å; D716-K719 HydrophobicContact CB-CG 4.17Å; D716-K719 WeakPolarHBondContact O-CB 3.3Å; D716-K719 PolarHBondContact O-N 2.75Å; D716-K719 WeakPolarHBondContact OD2-CE 3.5Å; D716-K719 IonicContact OD2-NZ 2.82Å; D716-K719 PolarHBondContact OD2-NZ 3.02Å; D716-L722 WeakPolarHBondContact O-CD1 3.39Å
717	N	85.1	Confident	84.8	Confident	44 Å²	44	48.7 Å²	48.7	24%	0.235	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-17.3	-175.1	-77.1	-10	0	0	0	114.2	D598 L609 L691	D598-N717 PolarHBondContact OD1-ND2 3.17Å; D598-N717 PolarHBondContact OD2-ND2 2.77Å; L609-N717 WeakPolarHBondContact CD1-O 3.5Å; L691-N717 HydrophobicContact CD1-CB 3.73Å; L691-N717 VanDerWaalsContact CD1-CG 3.44Å; L691-N717 VanDerWaalsContact CD1-ND2 3.34Å; L691-N717 WeakPolarHBondContact CD1-ND2 3.47Å
718	T	83.1	Confident	84.9	Confident	71 Å²	71	47.2 Å²	47.2	44%	0.436	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-29.9	176.8	71.5	0	0	0	0	112.3	D716 R723	D716-T718 PolarHBondContact O-N 3.43Å; D716-T718 WeakPolarHBondContact OD1-CB 3.33Å; D716-T718 PolarHBondContact OD1-N 2.97Å; D716-T718 PolarHBondContact OD1-OG1 3.39Å; T718-R723 PolarHBondContact O-NH2 2.79Å; T718-R723 VanDerWaalsContact O-NH2 3.14Å
719	K	87.4	Confident	84.5	Confident	71 Å²	71	51.1 Å²	51.1	31%	0.309	28%	0.283	S	S	.	.			trans	-63.8	154.1	-177.6	-75.3	178.3	-172.2	150.1	0	112.8	D716 E721 L722 R723	D716-K719 HydrophobicContact CB-CD 3.89Å; D716-K719 HydrophobicContact CB-CG 4.17Å; D716-K719 WeakPolarHBondContact O-CB 3.3Å; D716-K719 PolarHBondContact O-N 2.75Å; D716-K719 WeakPolarHBondContact OD2-CE 3.5Å; D716-K719 IonicContact OD2-NZ 2.82Å; D716-K719 PolarHBondContact OD2-NZ 3.02Å; K719-E721 HydrophobicContact CB-CG 4.1Å; K719-E721 WeakPolarHBondContact CB-OE2 3.47Å; K719-E721 HydrophobicContact CD-CG 4.42Å; K719-E721 WeakPolarHBondContact CD-OE1 3.03Å; K719-L722 HydrophobicContact CB-CD1 4.26Å; K719-L722 HydrophobicContact CB-CG 4Å; K719-R723 PolarHBondContact O-NE 2.79Å; K719-R723 PolarHBondContact O-NH2 2.9Å
720	R	85.9	Confident	84.2	Confident	134 Å²	134	54.2 Å²	54.2	51%	0.506	29%	0.294	S	S	.	.	S	Bend	trans	-102.4	-33.3	-178.5	-62.2	-170.9	-173.5	-161.8	4.8	111.5	D610 L722 R723 F741	D610-R720 IonicContact OD2-CZ 2.63Å; D610-R720 IonicContact OD2-NH2 2.76Å; D610-R720 PolarHBondContact OD2-NH2 3.36Å; R720-L722 PolarHBondContact O-N 2.92Å; R720-L722 VanDerWaalsContact O-N 3.14Å; R720-R723 WeakPolarHBondContact O-CB 3.41Å; R720-R723 WeakPolarHBondContact O-CG 3.44Å; R720-R723 PolarHBondContact O-N 3.31Å; R720-R723 VanDerWaalsContact O-N 3.13Å; R720-F741 HydrophobicContact CB-CD2 3.91Å
721	E	88.8	Confident	83.4	Confident	57 Å²	57	57.2 Å²	57.2	27%	0.266	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-23.3	172.3	56.1	-91.9	-133.2	0	0	114.4	A702 A703 K719 F741	A702-E721 WeakPolarHBondContact CA-O 3.49Å; A703-E721 PolarHBondContact N-O 2.96Å; A703-E721 WeakPolarHBondContact O-CB 3.41Å; K719-E721 HydrophobicContact CB-CG 4.1Å; K719-E721 WeakPolarHBondContact CB-OE2 3.47Å; K719-E721 HydrophobicContact CD-CG 4.42Å; K719-E721 WeakPolarHBondContact CD-OE1 3.03Å; E721-F741 HydrophobicContact CB-CD1 3.74Å; E721-F741 HydrophobicContact CB-CE1 3.89Å; E721-F741 HydrophobicContact CB-CG 4.1Å; E721-F741 HydrophobicContact CB-CZ 4.37Å
722	L	90.8	Very high	82.9	Confident	4 Å²	4	58.3 Å²	58.3	2%	0.021	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	2.8	179.3	-51	-170	0	0	0	114.4	S693 C700 A702 V713 D716 K719 R720 W724	S693-L722 WeakPolarHBondContact CA-O 3.38Å; C700-L722 HydrophobicContact CB-CD1 3.89Å; C700-L722 HydrophobicContact CB-CD2 4.17Å; C700-L722 HydrophobicContact CB-CG 4.48Å; A702-L722 HydrophobicContact CB-CD2 3.49Å; A702-L722 VanDerWaalsContact CB-CD2 3.49Å; V713-L722 HydrophobicContact CG2-CD2 3.59Å; D716-L722 WeakPolarHBondContact O-CD1 3.39Å; K719-L722 HydrophobicContact CB-CD1 4.26Å; K719-L722 HydrophobicContact CB-CG 4Å; R720-L722 PolarHBondContact O-N 2.92Å; R720-L722 VanDerWaalsContact O-N 3.14Å; L722-W724 VanDerWaalsContact O-CD1 3.26Å
723	R	89.7	Confident	82.4	Confident	30 Å²	30	57.7 Å²	57.7	11%	0.113	33%	0.326	C	S	.	.			trans	-100.7	123.3	-168	-59.2	177.7	-169.1	-161.6	0.7	111.8	Q606 T718 K719 R720 E740	Q606-R723 VanDerWaalsContact CD-NH1 3.3Å; T718-R723 PolarHBondContact O-NH2 2.79Å; T718-R723 VanDerWaalsContact O-NH2 3.14Å; K719-R723 PolarHBondContact O-NE 2.79Å; K719-R723 PolarHBondContact O-NH2 2.9Å; R720-R723 WeakPolarHBondContact O-CB 3.41Å; R720-R723 WeakPolarHBondContact O-CG 3.44Å; R720-R723 PolarHBondContact O-N 3.31Å; R720-R723 VanDerWaalsContact O-N 3.13Å; R723-E740 HydrophobicContact CB-CB 4.01Å; R723-E740 HydrophobicContact CB-CG 4.18Å; R723-E740 PolarHBondContact O-N 3.23Å
724	W	90.8	Very high	81.9	Confident	0 Å²	0	58 Å²	58	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	106.2	-175.8	-59.6	89.3	0	0	0	110.8	Y688 K692 I694 V701 A703 L722 Y726 L737 I738 L748 L759	Y688-W724 WeakPolarHBondContact CE2-O 3.18Å; Y688-W724 PolarHBondContact OH-O 2.94Å; K692-W724 PolarHBondContact O-N 3.14Å; I694-W724 HydrophobicContact CD1-CB 4.16Å; I694-W724 HydrophobicContact CD1-CD2 3.92Å; I694-W724 HydrophobicContact CD1-CG 3.66Å; I694-W724 HydrophobicContact CG1-CB 4.26Å; I694-W724 HydrophobicContact CG1-CG 4Å; V701-W724 HydrophobicContact CG1-CZ2 3.87Å; V701-W724 PolarHBondContact O-NE1 3.33Å; A703-W724 HydrophobicContact CB-CH2 4.03Å; A703-W724 HydrophobicContact CB-CZ2 3.98Å; L722-W724 VanDerWaalsContact O-CD1 3.26Å; W724-Y726 PolarHBondContact O-N 2.64Å; W724-L737 HydrophobicContact CB-CD2 4.4Å; W724-L737 HydrophobicContact CE3-CB 4.23Å; W724-I738 CarbonylContact C-O 3.57Å; W724-I738 VanDerWaalsContact CA-O 3.29Å; W724-I738 WeakPolarHBondContact CA-O 3.31Å; W724-L748 HydrophobicContact CH2-CD1 3.68Å; W724-L748 HydrophobicContact CZ2-CD1 4.43Å; W724-L748 HydrophobicContact CZ3-CB 3.99Å; W724-L748 HydrophobicContact CZ3-CD1 3.98Å; W724-L759 HydrophobicContact CH2-CD2 3.62Å; W724-L759 HydrophobicContact CH2-CG 4.4Å; W724-L759 HydrophobicContact CZ3-CD2 3.7Å
725	S	88.6	Confident	81.6	Confident	27 Å²	27	55.8 Å²	55.8	19%	0.189	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	127.2	169.2	-110.9	0	0	0	0	110.3	I738 E740	S725-I738 PolarHBondContact N-O 3.3Å; S725-I738 PolarHBondContact O-N 2.9Å; S725-E740 WeakPolarHBondContact CB-OE1 3.36Å; S725-E740 PolarHBondContact OG-OE1 2.93Å
726	Y	87.8	Confident	81.6	Confident	14 Å²	14	54.2 Å²	54.2	6%	0.055	30%	0.299	C	S	.	.			trans	-148.3	146.6	-179.1	176.3	-105	0	0	0	109.9	Y688 W724 T728 L737 W771 F773 Y776	Y688-Y726 HydrophobicContact CD1-CD1 4.19Å; Y688-Y726 AromaticContact CE1-CD1 3.97Å; Y688-Y726 HydrophobicContact CE1-CD1 3.97Å; Y688-Y726 PolarHBondContact OH-N 2.89Å; W724-Y726 PolarHBondContact O-N 2.64Å; Y726-T728 PolarHBondContact O-N 2.7Å; Y726-L737 HydrophobicContact CD2-CD2 3.73Å; Y726-L737 HydrophobicContact CD2-CG 3.98Å; Y726-L737 HydrophobicContact CG-CD2 3.83Å; Y726-W771 HydrophobicContact CE2-CB 4.33Å; Y726-W771 WeakPolarHBondContact CE2-O 3.37Å; Y726-W771 PolarHBondContact OH-O 2.96Å; Y726-F773 HydrophobicContact CD1-CE2 4.32Å; Y726-F773 AromaticContact CE1-CD2 3.82Å; Y726-F773 HydrophobicContact CE1-CD2 3.82Å; Y726-F773 HydrophobicContact CE1-CE2 4.03Å; Y726-Y776 HydrophobicContact CE1-CE1 4.02Å; Y726-Y776 PolarHBondContact OH-OH 2.75Å
727	K	75.6	Confident	81.7	Confident	99 Å²	99	51.9 Å²	51.9	43%	0.43	29%	0.286	S	S	.	.	S	Bend	trans	49.8	44.7	-168.5	-72.1	-177.1	174.3	-171.8	0	112.7	T734 Y776	K727-T734 WeakPolarHBondContact CA-O 3.09Å; K727-T734 HydrophobicContact CB-CG2 4.5Å; K727-T734 HydrophobicContact CG-CG2 4.3Å; K727-T734 PolarHBondContact N-O 2.89Å; K727-Y776 HydrophobicContact CD-CD1 4.33Å; K727-Y776 HydrophobicContact CD-CE1 4.21Å; K727-Y776 VanDerWaalsContact CE-CE1 3.48Å; K727-Y776 VanDerWaalsContact NZ-CE2 3.34Å
728	T	64.9	Low	81.9	Confident	36 Å²	36	50.4 Å²	50.4	22%	0.221	28%	0.278	C	S	.	.			trans	-69.6	158.1	173.7	77	0	0	0	0	111.2	Y726 N730	Y726-T728 PolarHBondContact O-N 2.7Å; T728-N730 PolarHBondContact O-N 3.36Å
729	S	60.2	Low	82.2	Confident	137 Å²	137	47.2 Å²	47.2	96%	0.958	26%	0.259	S	S	*	.	S	Bend	trans	-67.1	-2.3	179.8	-41.7	0	0	0	0	114.8	S731	S729-S731 PolarHBondContact O-N 3.38Å
730	N	65	Low	82.1	Confident	87 Å²	87	47.5 Å²	47.5	47%	0.465	26%	0.261	S	S	.	.			trans	-84.8	100.6	173.4	-179.7	-0.5	0	0	0	109.6	T728 A732 L733 T734	T728-N730 PolarHBondContact O-N 3.36Å; N730-A732 PolarHBondContact O-N 3.47Å; N730-A732 PolarHBondContact OD1-N 3.04Å; N730-L733 PolarHBondContact O-N 3.01Å; N730-T734 PolarHBondContact O-N 3.3Å; N730-T734 PolarHBondContact O-OG1 3.12Å
731	S	67.8	Low	82	Confident	106 Å²	106	44.7 Å²	44.7	74%	0.741	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-50	-35.1	-173.8	55.7	0	0	0	0	114.4	S729 L733 T734	S729-S731 PolarHBondContact O-N 3.38Å; S731-L733 VanDerWaalsContact C-N 3.34Å; S731-L733 PolarHBondContact O-N 2.76Å; S731-T734 VanDerWaalsContact C-OG1 3.25Å; S731-T734 WeakPolarHBondContact CA-OG1 3.41Å; S731-T734 PolarHBondContact O-OG1 3.03Å
732	A	75	Confident	81.5	Confident	50 Å²	50	43 Å²	43	41%	0.413	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-71.8	-20.3	-178.6	0	0	0	0	0	114.9	N730 P764	N730-A732 PolarHBondContact O-N 3.47Å; N730-A732 PolarHBondContact OD1-N 3.04Å; A732-P764 HydrophobicContact CB-CB 4.23Å; A732-P764 HydrophobicContact CB-CG 4.29Å; A732-P764 WeakPolarHBondContact O-CB 3.34Å
733	L	79.7	Confident	80.4	Confident	22 Å²	22	49 Å²	49	12%	0.115	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-125.8	22.8	-179.2	-65.3	175.9	0	0	0	112.6	N730 S731 E735 H736 I738 C762 P764	N730-L733 PolarHBondContact O-N 3.01Å; S731-L733 VanDerWaalsContact C-N 3.34Å; S731-L733 PolarHBondContact O-N 2.76Å; L733-E735 PolarHBondContact O-N 3.48Å; L733-H736 HydrophobicContact CB-CB 4.39Å; L733-H736 HydrophobicContact CD2-CB 4.4Å; L733-H736 PolarHBondContact O-N 2.84Å; L733-I738 HydrophobicContact CB-CD1 4.13Å; L733-I738 HydrophobicContact CD1-CD1 4.22Å; L733-C762 HydrophobicContact CD1-CB 4.15Å; L733-C762 HydrophobicContact CD2-CB 4.17Å; L733-P764 HydrophobicContact CD2-CB 4.35Å; L733-P764 HydrophobicContact CD2-CG 3.83Å; L733-P764 HydrophobicContact CG-CG 4.33Å
734	T	81.4	Confident	79.5	Confident	46 Å²	46	51.1 Å²	51.1	28%	0.282	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-34.5	-176.6	-45.6	0	0	0	0	112.9	K727 N730 S731	K727-T734 WeakPolarHBondContact CA-O 3.09Å; K727-T734 HydrophobicContact CB-CG2 4.5Å; K727-T734 HydrophobicContact CG-CG2 4.3Å; K727-T734 PolarHBondContact N-O 2.89Å; N730-T734 PolarHBondContact O-N 3.3Å; N730-T734 PolarHBondContact O-OG1 3.12Å; S731-T734 VanDerWaalsContact C-OG1 3.25Å; S731-T734 WeakPolarHBondContact CA-OG1 3.41Å; S731-T734 PolarHBondContact O-OG1 3.03Å
735	E	87	Confident	78.9	Confident	51 Å²	51	57.4 Å²	57.4	24%	0.238	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	4.2	-173.4	-61.9	170.5	158.5	0	0	112.7	R659 L733 K770 W771	R659-E735 IonicContact CZ-OE1 2.7Å; R659-E735 IonicContact CZ-OE2 3.85Å; R659-E735 IonicContact NH1-OE1 3.83Å; R659-E735 PolarHBondContact NH1-OE1 3.17Å; R659-E735 IonicContact NH1-OE2 3.72Å; R659-E735 PolarHBondContact NH1-OE2 3.43Å; R659-E735 IonicContact NH2-OE1 2.75Å; R659-E735 PolarHBondContact NH2-OE1 2.88Å; L733-E735 PolarHBondContact O-N 3.48Å; E735-K770 HydrophobicContact CB-CB 4.17Å; E735-K770 HydrophobicContact CB-CG 4.12Å; E735-K770 WeakPolarHBondContact OE2-CD 3.25Å; E735-W771 PolarHBondContact O-N 3.37Å
736	H	90.4	Very high	78.9	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.005	33%	0.33	C	S	.	.			trans	-97	140.9	-174.7	-66.7	67.8	0	0	0	111.7	L733 I738 Q763 Q769	L733-H736 HydrophobicContact CB-CB 4.39Å; L733-H736 HydrophobicContact CD2-CB 4.4Å; L733-H736 PolarHBondContact O-N 2.84Å; H736-I738 HydrophobicContact CB-CG1 4.15Å; H736-Q763 PolarHBondContact NE2-O 2.94Å; H736-Q769 WeakPolarHBondContact CA-O 3.37Å; H736-Q769 VanDerWaalsContact CD2-CB 3.42Å; H736-Q769 WeakPolarHBondContact CD2-CB 3.47Å; H736-Q769 PolarHBondContact CD2-O 2.9Å; H736-Q769 PolarHBondContact CD2-OE1 3.02Å
737	L	90.8	Very high	79	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.01	33%	0.328	C	S	.	.			trans	-91.6	98.7	171.9	-72.2	163.4	0	0	0	108.9	I694 W724 Y726 C747 L748 W771 F773	I694-L737 HydrophobicContact CD1-CD1 3.96Å; I694-L737 HydrophobicContact CD1-CD2 3.93Å; I694-L737 HydrophobicContact CD1-CG 4.42Å; I694-L737 HydrophobicContact CG1-CD2 4.34Å; W724-L737 HydrophobicContact CB-CD2 4.4Å; W724-L737 HydrophobicContact CE3-CB 4.23Å; Y726-L737 HydrophobicContact CD2-CD2 3.73Å; Y726-L737 HydrophobicContact CD2-CG 3.98Å; Y726-L737 HydrophobicContact CG-CD2 3.83Å; L737-C747 CarbonylContact O-C 3.5Å; L737-C747 WeakPolarHBondContact O-CA 3.43Å; L737-L748 HydrophobicContact CB-CB 3.91Å; L737-L748 HydrophobicContact CD1-CD2 3.85Å; L737-L748 PolarHBondContact O-N 3.49Å; L737-W771 HydrophobicContact CD1-CB 3.86Å; L737-W771 HydrophobicContact CD1-CD2 3.9Å; L737-W771 HydrophobicContact CD1-CG 3.56Å; L737-W771 HydrophobicContact CG-CB 4.23Å; L737-W771 HydrophobicContact CG-CG 4.09Å; L737-F773 HydrophobicContact CD2-CE2 4.49Å
738	I	90.4	Very high	79.8	Confident	14 Å²	14	51.9 Å²	51.9	7%	0.072	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	122.1	-172	-46.5	175.4	0	0	0	110.1	W724 S725 L733 H736 E740	W724-I738 CarbonylContact C-O 3.57Å; W724-I738 VanDerWaalsContact CA-O 3.29Å; W724-I738 WeakPolarHBondContact CA-O 3.31Å; S725-I738 PolarHBondContact N-O 3.3Å; S725-I738 PolarHBondContact O-N 2.9Å; L733-I738 HydrophobicContact CB-CD1 4.13Å; L733-I738 HydrophobicContact CD1-CD1 4.22Å; H736-I738 HydrophobicContact CB-CG1 4.15Å; I738-E740 PolarHBondContact O-N 3.43Å
739	S	89.2	Confident	81	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.021	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	132	175.1	-176.8	0	0	0	0	111.9	A703 F741 M746	A703-S739 WeakPolarHBondContact CB-OG 3.49Å; S739-F741 VanDerWaalsContact C-N 3.35Å; S739-F741 PolarHBondContact OG-N 2.83Å; S739-M746 PolarHBondContact N-O 3.48Å
740	E	85.4	Confident	82.6	Confident	77 Å²	77	44.7 Å²	44.7	36%	0.36	26%	0.257	S	S	.	.	S	Bend	trans	-88.6	-3.4	173.7	-50.2	-163.3	149.1	0	0	113	K692 R723 S725 I738	K692-E740 VanDerWaalsContact CD-OE1 3.3Å; K692-E740 WeakPolarHBondContact CD-OE1 3.33Å; K692-E740 WeakPolarHBondContact CD-OE2 3.19Å; K692-E740 WeakPolarHBondContact CE-OE1 3.22Å; K692-E740 IonicContact NZ-OE1 3.55Å; K692-E740 PolarHBondContact NZ-OE1 2.85Å; K692-E740 IonicContact NZ-OE2 3.03Å; K692-E740 PolarHBondContact NZ-OE2 3.45Å; R723-E740 HydrophobicContact CB-CB 4.01Å; R723-E740 HydrophobicContact CB-CG 4.18Å; R723-E740 PolarHBondContact O-N 3.23Å; S725-E740 WeakPolarHBondContact CB-OE1 3.36Å; S725-E740 PolarHBondContact OG-OE1 2.93Å; I738-E740 PolarHBondContact O-N 3.43Å
741	F	82.2	Confident	83.6	Confident	75 Å²	75	41.4 Å²	41.4	33%	0.329	24%	0.238	S	C	.	.	S	Bend	trans	-93.1	-33.9	-177.8	-178.5	-126.9	0	0	0	113.1	A703 R720 E721 S739	A703-F741 WeakPolarHBondContact O-CD1 3.39Å; R720-F741 HydrophobicContact CB-CD2 3.91Å; E721-F741 HydrophobicContact CB-CD1 3.74Å; E721-F741 HydrophobicContact CB-CE1 3.89Å; E721-F741 HydrophobicContact CB-CG 4.1Å; E721-F741 HydrophobicContact CB-CZ 4.37Å; S739-F741 VanDerWaalsContact C-N 3.35Å; S739-F741 PolarHBondContact OG-N 2.83Å
742	V	79.8	Confident	84.4	Confident	23 Å²	23	39.7 Å²	39.7	14%	0.139	22%	0.224	C	C	.	.	S	Bend	trans	-95.5	122.7	-174.7	-169.9	0	0	0	0	110.3	A703 S744 M746	A703-V742 HydrophobicContact CB-CG2 4.32Å; V742-S744 PolarHBondContact O-N 3.19Å; V742-M746 HydrophobicContact CB-CB 4.35Å; V742-M746 HydrophobicContact CB-CG 3.95Å; V742-M746 HydrophobicContact CG1-CG 3.6Å
743	P	66.4	Low	84.7	Confident	128 Å²	128	48 Å²	48	83%	0.831	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-19.6	-171.5	-27.2	35.2	0	0	0	116.6	H745	P743-H745 PolarHBondContact O-N 3.38Å
744	S	70.9	Confident	84.8	Confident	76 Å²	76	50.8 Å²	50.8	53%	0.531	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	21.6	-168.8	57.8	0	0	0	0	115	V742 M746	V742-S744 PolarHBondContact O-N 3.19Å; S744-M746 WeakPolarHBondContact OG-CG 3.49Å; S744-M746 PolarHBondContact OG-SD 3.13Å; S744-M746 VanDerWaalsContact OG-SD 3.36Å
745	H	77.8	Confident	84.6	Confident	131 Å²	131	51.5 Å²	51.5	61%	0.606	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.4	68.9	-173.1	-69	-60.8	0	0	0	112.2	P743 C762	P743-H745 PolarHBondContact O-N 3.38Å; H745-C762 WeakPolarHBondContact O-CB 3.43Å; H745-C762 PolarHBondContact O-N 2.93Å; H745-C762 PolarHBondContact O-SG 2.99Å
746	M	88.5	Confident	84.4	Confident	23 Å²	23	50.4 Å²	50.4	11%	0.113	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	129.5	176.6	-59.5	-62.7	-78.3	0	0	110.5	S739 V742 S744 L759 R760 P761	S739-M746 PolarHBondContact N-O 3.48Å; V742-M746 HydrophobicContact CB-CB 4.35Å; V742-M746 HydrophobicContact CB-CG 3.95Å; V742-M746 HydrophobicContact CG1-CG 3.6Å; S744-M746 WeakPolarHBondContact OG-CG 3.49Å; S744-M746 PolarHBondContact OG-SD 3.13Å; S744-M746 VanDerWaalsContact OG-SD 3.36Å; M746-L759 HydrophobicContact CB-CD2 4.1Å; M746-L759 HydrophobicContact CE-CB 4.2Å; M746-R760 CarbonylContact C-O 3.5Å; M746-R760 WeakPolarHBondContact CA-O 3.25Å; M746-P761 HydrophobicContact SD-CG 4.2Å
747	C	90.8	Very high	84.3	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	150	175.3	-83.5	0	0	0	0	111.1	L737 R760 C762 Q769	L737-C747 CarbonylContact O-C 3.5Å; L737-C747 WeakPolarHBondContact O-CA 3.43Å; C747-R760 PolarHBondContact N-O 3.3Å; C747-R760 PolarHBondContact O-N 3.3Å; C747-C762 HydrophobicContact CB-CB 4.02Å; C747-C762 WeakPolarHBondContact CB-SG 3.27Å; C747-C762 PolarHBondContact N-SG 3.05Å; C747-C762 VanDerWaalsContact N-SG 3.35Å; C747-C762 VanDerWaalsContact SG-CA 3.52Å; C747-C762 WeakPolarHBondContact SG-CB 3.37Å; C747-C762 CovalentContact SG-SG 2.03Å; C747-C762 PolarHBondContact SG-SG 3.13Å; C747-Q769 HydrophobicContact CB-CB 4.5Å; C747-Q769 HydrophobicContact CB-CG 4.37Å
748	L	91.4	Very high	84.2	Confident	1 Å²	1	54 Å²	54	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	125.3	164.6	-156.5	72.5	0	0	0	109.3	W724 L737 V757 W771	W724-L748 HydrophobicContact CH2-CD1 3.68Å; W724-L748 HydrophobicContact CZ2-CD1 4.43Å; W724-L748 HydrophobicContact CZ3-CB 3.99Å; W724-L748 HydrophobicContact CZ3-CD1 3.98Å; L737-L748 HydrophobicContact CB-CB 3.91Å; L737-L748 HydrophobicContact CD1-CD2 3.85Å; L737-L748 PolarHBondContact O-N 3.49Å; L748-V757 HydrophobicContact CD1-CG1 3.43Å; L748-V757 VanDerWaalsContact CD1-CG1 3.43Å; L748-V757 HydrophobicContact CD2-CG1 4.1Å; L748-V757 HydrophobicContact CG-CG1 3.67Å; L748-W771 HydrophobicContact CB-CZ2 4.13Å; L748-W771 HydrophobicContact CD2-CH2 4.14Å; L748-W771 HydrophobicContact CD2-CZ2 3.79Å; L748-W771 HydrophobicContact CG-CH2 4.5Å; L748-W771 HydrophobicContact CG-CZ2 3.83Å; L748-W771 PolarHBondContact O-NE1 2.93Å
749	E	92	Very high	84.1	Confident	23 Å²	23	53.4 Å²	53.4	11%	0.107	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	145	177.7	-169.6	166.8	90.2	0	0	110.7	R758 R760 S766 F768 Q769	E749-R758 PolarHBondContact N-O 2.92Å; E749-R758 PolarHBondContact O-N 2.88Å; E749-R760 HydrophobicContact CB-CB 4.23Å; E749-R760 HydrophobicContact CB-CG 3.89Å; E749-R760 HydrophobicContact CG-CG 4.41Å; E749-R760 WeakPolarHBondContact OE1-CG 3.47Å; E749-R760 IonicContact OE1-NE 2.79Å; E749-S766 PolarHBondContact OE2-OG 2.91Å; E749-F768 HydrophobicContact CG-CB 3.87Å; E749-Q769 HydrophobicContact CB-CG 3.8Å; E749-Q769 HydrophobicContact CG-CG 3.76Å; E749-Q769 WeakPolarHBondContact OE2-CG 3.44Å; E749-Q769 PolarHBondContact OE2-NE2 2.87Å
750	A	92.3	Very high	84.1	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	111.9	168.3	0	0	0	0	0	110.2	N658 L661 F674 P752 F768 W771	N658-A750 HydrophobicContact CB-CB 4.45Å; N658-A750 WeakPolarHBondContact ND2-CB 3.47Å; L661-A750 HydrophobicContact CD1-CB 3.65Å; L661-A750 HydrophobicContact CG-CB 3.84Å; F674-A750 HydrophobicContact CE1-CB 3.99Å; F674-A750 HydrophobicContact CE2-CB 3.64Å; F674-A750 HydrophobicContact CZ-CB 3.26Å; A750-P752 VanDerWaalsContact O-CD 3.31Å; A750-P752 WeakPolarHBondContact O-CD 3.43Å; A750-F768 PolarHBondContact N-O 3.42Å; A750-F768 WeakPolarHBondContact O-CB 3.28Å; A750-W771 HydrophobicContact CB-CH2 4.34Å
751	E	87.4	Confident	84.4	Confident	18 Å²	18	57.2 Å²	57.2	8%	0.084	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	113.3	-178.6	179.4	83.7	-120.1	0	0	110.4	R753 D754 D755 S756 R758 R760	E751-R753 HydrophobicContact CG-CB 4.31Å; E751-R753 PolarHBondContact O-N 3.37Å; E751-D754 WeakPolarHBondContact CG-OD1 3.49Å; E751-D755 PolarHBondContact O-N 3.07Å; E751-S756 PolarHBondContact N-O 2.86Å; E751-R758 HydrophobicContact CB-CG 4.32Å; E751-R758 WeakPolarHBondContact OE2-CD 3.35Å; E751-R758 IonicContact OE2-CZ 2.88Å; E751-R758 IonicContact OE2-NE 3.83Å; E751-R758 IonicContact OE2-NH1 3.06Å; E751-R758 PolarHBondContact OE2-NH1 3.02Å; E751-R760 IonicContact OE2-CZ 2.67Å; E751-R760 IonicContact OE2-NH2 3.78Å; E751-R760 PolarHBondContact OE2-NH2 3.43Å
752	P	83	Confident	84.7	Confident	69 Å²	69	54.9 Å²	54.9	45%	0.448	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	10.9	-171.5	33.6	-37.8	0	0	0	114.6	L661 A750 F768	L661-P752 HydrophobicContact CD2-CB 3.74Å; A750-P752 VanDerWaalsContact O-CD 3.31Å; A750-P752 WeakPolarHBondContact O-CD 3.43Å; P752-F768 HydrophobicContact CB-CD1 4.25Å; P752-F768 HydrophobicContact CB-CE1 3.76Å; P752-F768 HydrophobicContact CB-CZ 4.16Å; P752-F768 HydrophobicContact CG-CD1 4.35Å; P752-F768 HydrophobicContact CG-CE1 4.04Å; P752-F768 HydrophobicContact CG-CE2 4.46Å; P752-F768 HydrophobicContact CG-CZ 4.1Å
753	R	82.2	Confident	85.3	Confident	224 Å²	224	58.4 Å²	58.4	85%	0.845	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-28.7	-178.8	-65.6	-176.9	174.9	-154	-0.9	113.4	E751	E751-R753 HydrophobicContact CG-CB 4.31Å; E751-R753 PolarHBondContact O-N 3.37Å
754	D	81.2	Confident	86.3	Confident	82 Å²	82	55.4 Å²	55.4	44%	0.439	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.7	9.8	-173.8	62.9	-4.2	0	0	0	113	E751 S756 R758	E751-D754 WeakPolarHBondContact CG-OD1 3.49Å; D754-S756 PolarHBondContact O-N 2.92Å; D754-S756 VanDerWaalsContact O-N 3.16Å; D754-S756 VanDerWaalsContact OD1-CB 3.24Å; D754-S756 WeakPolarHBondContact OD1-CB 3.44Å; D754-S756 PolarHBondContact OD1-N 2.91Å; D754-S756 VanDerWaalsContact OD1-N 3.13Å; D754-S756 PolarHBondContact OD1-OG 3.23Å; D754-S756 PolarHBondContact OD2-OG 3.34Å; D754-S756 VanDerWaalsContact OD2-OG 3.12Å; D754-R758 IonicContact OD1-NH2 3.74Å; D754-R758 IonicContact OD2-CZ 2.72Å; D754-R758 IonicContact OD2-NH2 3.31Å; D754-R758 PolarHBondContact OD2-NH2 2.95Å
755	D	77.6	Confident	87.3	Confident	60 Å²	60	56.5 Å²	56.5	32%	0.321	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	34	-174	-74	-50.2	0	0	0	112.6	L661 K663 F674 E751	L661-D755 WeakPolarHBondContact CD1-OD1 3.3Å; K663-D755 IonicContact NZ-OD1 2.64Å; K663-D755 PolarHBondContact NZ-OD1 2.9Å; K663-D755 IonicContact NZ-OD2 3.44Å; K663-D755 PolarHBondContact NZ-OD2 3.22Å; F674-D755 HydrophobicContact CB-CB 4.45Å; F674-D755 HydrophobicContact CD2-CB 4.07Å; F674-D755 WeakPolarHBondContact CD2-O 3.4Å; E751-D755 PolarHBondContact O-N 3.07Å
756	S	83.4	Confident	88	Confident	28 Å²	28	51 Å²	51	20%	0.196	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	151.5	177	71	0	0	0	0	113	E751 D754 R758	E751-S756 PolarHBondContact N-O 2.86Å; D754-S756 PolarHBondContact O-N 2.92Å; D754-S756 VanDerWaalsContact O-N 3.16Å; D754-S756 VanDerWaalsContact OD1-CB 3.24Å; D754-S756 WeakPolarHBondContact OD1-CB 3.44Å; D754-S756 PolarHBondContact OD1-N 2.91Å; D754-S756 VanDerWaalsContact OD1-N 3.13Å; D754-S756 PolarHBondContact OD1-OG 3.23Å; D754-S756 PolarHBondContact OD2-OG 3.34Å; D754-S756 VanDerWaalsContact OD2-OG 3.12Å; S756-R758 PolarHBondContact OG-NE 3.21Å
757	V	88	Confident	88.2	Confident	6 Å²	6	53.1 Å²	53.1	4%	0.036	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	132.5	172.4	-177.3	0	0	0	0	109.5	L665 L672 F674 F710 L748	L665-V757 HydrophobicContact CD1-CG2 3.72Å; L672-V757 HydrophobicContact CB-CG2 3.85Å; L672-V757 HydrophobicContact CD1-CG2 4.41Å; F674-V757 HydrophobicContact CE1-CG2 4.48Å; F674-V757 HydrophobicContact CE2-CG2 3.88Å; F674-V757 HydrophobicContact CZ-CG2 3.65Å; F710-V757 HydrophobicContact CD1-CB 4.13Å; F710-V757 HydrophobicContact CD1-CG1 4.16Å; F710-V757 VanDerWaalsContact CD1-O 3.29Å; F710-V757 WeakPolarHBondContact CD1-O 3.47Å; F710-V757 HydrophobicContact CE1-CB 3.69Å; F710-V757 HydrophobicContact CE1-CG1 4.2Å; F710-V757 WeakPolarHBondContact CE1-O 3.34Å; F710-V757 HydrophobicContact CZ-CB 4.17Å; L748-V757 HydrophobicContact CD1-CG1 3.43Å; L748-V757 VanDerWaalsContact CD1-CG1 3.43Å; L748-V757 HydrophobicContact CD2-CG1 4.1Å; L748-V757 HydrophobicContact CG-CG1 3.67Å
758	R	88.4	Confident	88.3	Confident	72 Å²	72	56 Å²	56	27%	0.272	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	155.4	-176.2	-59.9	-175.5	-178.9	-167.5	-12.1	112.3	E749 E751 D754 S756	E749-R758 PolarHBondContact N-O 2.92Å; E749-R758 PolarHBondContact O-N 2.88Å; E751-R758 HydrophobicContact CB-CG 4.32Å; E751-R758 WeakPolarHBondContact OE2-CD 3.35Å; E751-R758 IonicContact OE2-CZ 2.88Å; E751-R758 IonicContact OE2-NE 3.83Å; E751-R758 IonicContact OE2-NH1 3.06Å; E751-R758 PolarHBondContact OE2-NH1 3.02Å; D754-R758 IonicContact OD1-NH2 3.74Å; D754-R758 IonicContact OD2-CZ 2.72Å; D754-R758 IonicContact OD2-NH2 3.31Å; D754-R758 PolarHBondContact OD2-NH2 2.95Å; S756-R758 PolarHBondContact OG-NE 3.21Å
759	L	89.1	Confident	88.4	Confident	2 Å²	2	56 Å²	56	1%	0.01	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	127.5	167.3	-81.6	-179.3	0	0	0	111.1	A703 S708 G709 W724 M746	A703-L759 HydrophobicContact CB-CD1 3.76Å; S708-L759 WeakPolarHBondContact CB-O 3.46Å; S708-L759 PolarHBondContact O-N 3.47Å; G709-L759 WeakPolarHBondContact O-CD1 3.4Å; W724-L759 HydrophobicContact CH2-CD2 3.62Å; W724-L759 HydrophobicContact CH2-CG 4.4Å; W724-L759 HydrophobicContact CZ3-CD2 3.7Å; M746-L759 HydrophobicContact CB-CD2 4.1Å; M746-L759 HydrophobicContact CE-CB 4.2Å
760	R	89.4	Confident	88.5	Confident	85 Å²	85	56.9 Å²	56.9	32%	0.321	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	158.8	178.6	-63.8	-68.7	-157.8	-179.4	1.7	110.6	M746 C747 E749 E751 C762	M746-R760 CarbonylContact C-O 3.5Å; M746-R760 WeakPolarHBondContact CA-O 3.25Å; C747-R760 PolarHBondContact N-O 3.3Å; C747-R760 PolarHBondContact O-N 3.3Å; E749-R760 HydrophobicContact CB-CB 4.23Å; E749-R760 HydrophobicContact CB-CG 3.89Å; E749-R760 HydrophobicContact CG-CG 4.41Å; E749-R760 WeakPolarHBondContact OE1-CG 3.47Å; E749-R760 IonicContact OE1-NE 2.79Å; E751-R760 IonicContact OE2-CZ 2.67Å; E751-R760 IonicContact OE2-NH2 3.78Å; E751-R760 PolarHBondContact OE2-NH2 3.43Å; R760-C762 PolarHBondContact O-N 3.2Å
761	P	90.4	Very high	88.6	Confident	76 Å²	76	56.9 Å²	56.9	49%	0.494	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57	137.9	170	-23.5	34.6	0	0	0	111.1	M746 Q763 Q769	M746-P761 HydrophobicContact SD-CG 4.2Å; P761-Q763 PolarHBondContact O-N 3.41Å; P761-Q769 PolarHBondContact O-NE2 2.91Å
762	C	89.7	Confident	88.9	Confident	26 Å²	26	58.6 Å²	58.6	18%	0.176	30%	0.302	C	S	.	.			trans	-63.1	126.8	-178.1	-70.8	0	0	0	0	112.9	L733 H745 C747 R760	L733-C762 HydrophobicContact CD1-CB 4.15Å; L733-C762 HydrophobicContact CD2-CB 4.17Å; H745-C762 WeakPolarHBondContact O-CB 3.43Å; H745-C762 PolarHBondContact O-N 2.93Å; H745-C762 PolarHBondContact O-SG 2.99Å; C747-C762 HydrophobicContact CB-CB 4.02Å; C747-C762 WeakPolarHBondContact CB-SG 3.27Å; C747-C762 PolarHBondContact N-SG 3.05Å; C747-C762 VanDerWaalsContact N-SG 3.35Å; C747-C762 VanDerWaalsContact SG-CA 3.52Å; C747-C762 WeakPolarHBondContact SG-CB 3.37Å; C747-C762 CovalentContact SG-SG 2.03Å; C747-C762 PolarHBondContact SG-SG 3.13Å; R760-C762 PolarHBondContact O-N 3.2Å
763	Q	91.1	Very high	89.4	Confident	97 Å²	97	55.6 Å²	55.6	45%	0.453	28%	0.282	S	S	.	.			trans	-125.7	111.1	179.2	-67.5	-174.5	16.3	0	0	110.7	H736 P761 S765 S766	H736-Q763 PolarHBondContact NE2-O 2.94Å; P761-Q763 PolarHBondContact O-N 3.41Å; Q763-S765 PolarHBondContact O-N 3.39Å; Q763-S765 VanDerWaalsContact O-N 3.12Å; Q763-S766 PolarHBondContact O-N 3.42Å
764	P	88.9	Confident	89.9	Confident	64 Å²	64	48.7 Å²	48.7	42%	0.416	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-29.7	-179.9	-29.9	36.7	0	0	0	115.3	A732 L733 K770	A732-P764 HydrophobicContact CB-CB 4.23Å; A732-P764 HydrophobicContact CB-CG 4.29Å; A732-P764 WeakPolarHBondContact O-CB 3.34Å; L733-P764 HydrophobicContact CD2-CB 4.35Å; L733-P764 HydrophobicContact CD2-CG 3.83Å; L733-P764 HydrophobicContact CG-CG 4.33Å; P764-K770 WeakPolarHBondContact O-CE 3.38Å; P764-K770 PolarHBondContact O-NZ 3.48Å
765	S	90.1	Very high	90.3	Very high	100 Å²	100	51.2 Å²	51.2	70%	0.699	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-20.8	178.6	48	0	0	0	0	114.1	Q763 V767	Q763-S765 PolarHBondContact O-N 3.39Å; Q763-S765 VanDerWaalsContact O-N 3.12Å; S765-V767 PolarHBondContact O-N 3.38Å
766	S	92.3	Very high	90.8	Very high	14 Å²	14	51.8 Å²	51.8	10%	0.098	27%	0.266	C	S	.	.			trans	-70.2	113.3	-178.1	-176.8	0	0	0	0	110.4	E749 Q763 F768 Q769	E749-S766 PolarHBondContact OE2-OG 2.91Å; Q763-S766 PolarHBondContact O-N 3.42Å; S766-F768 PolarHBondContact O-N 2.94Å; S766-Q769 PolarHBondContact O-N 2.86Å
767	V	93.4	Very high	90.8	Very high	68 Å²	68	52.9 Å²	52.9	41%	0.412	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-69.5	-24.2	173.5	-67.9	0	0	0	0	112.4	G660 S765 Q769 K770	G660-V767 PolarHBondContact N-O 2.04Å; S765-V767 PolarHBondContact O-N 3.38Å; V767-Q769 PolarHBondContact O-N 3.48Å; V767-K770 PolarHBondContact O-N 3.43Å
768	F	93.8	Very high	89.4	Confident	62 Å²	62	59.6 Å²	59.6	27%	0.272	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-73.6	-12.9	177.3	-57.6	-74.4	0	0	0	113.4	N658 L661 E749 A750 P752 S766	N658-F768 PolarHBondContact ND2-O 3.29Å; L661-F768 HydrophobicContact CD2-CD1 4.04Å; L661-F768 HydrophobicContact CD2-CE1 3.97Å; L661-F768 HydrophobicContact CG-CD1 4.39Å; E749-F768 HydrophobicContact CG-CB 3.87Å; A750-F768 PolarHBondContact N-O 3.42Å; A750-F768 WeakPolarHBondContact O-CB 3.28Å; P752-F768 HydrophobicContact CB-CD1 4.25Å; P752-F768 HydrophobicContact CB-CE1 3.76Å; P752-F768 HydrophobicContact CB-CZ 4.16Å; P752-F768 HydrophobicContact CG-CD1 4.35Å; P752-F768 HydrophobicContact CG-CE1 4.04Å; P752-F768 HydrophobicContact CG-CE2 4.46Å; P752-F768 HydrophobicContact CG-CZ 4.1Å; S766-F768 PolarHBondContact O-N 2.94Å
769	Q	93.4	Very high	87.7	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-100.4	6.1	172.9	-60.3	-177	8.8	0	0	113.3	H736 C747 E749 P761 S766 V767 W771	H736-Q769 WeakPolarHBondContact CA-O 3.37Å; H736-Q769 VanDerWaalsContact CD2-CB 3.42Å; H736-Q769 WeakPolarHBondContact CD2-CB 3.47Å; H736-Q769 PolarHBondContact CD2-O 2.9Å; H736-Q769 PolarHBondContact CD2-OE1 3.02Å; C747-Q769 HydrophobicContact CB-CB 4.5Å; C747-Q769 HydrophobicContact CB-CG 4.37Å; E749-Q769 HydrophobicContact CB-CG 3.8Å; E749-Q769 HydrophobicContact CG-CG 3.76Å; E749-Q769 WeakPolarHBondContact OE2-CG 3.44Å; E749-Q769 PolarHBondContact OE2-NE2 2.87Å; P761-Q769 PolarHBondContact O-NE2 2.91Å; S766-Q769 PolarHBondContact O-N 2.86Å; V767-Q769 PolarHBondContact O-N 3.48Å; Q769-W771 PolarHBondContact O-NE1 2.99Å
770	K	93.9	Very high	87.6	Confident	41 Å²	41	68.3 Å²	68.3	18%	0.178	35%	0.348	C	S	.	.			trans	-103.4	121.7	-176.9	-68.7	177.1	179.3	-172	0	111	R659 E735 P764 V767	R659-K770 HydrophobicContact CB-CB 4.17Å; R659-K770 HydrophobicContact CG-CB 4.39Å; R659-K770 PolarHBondContact N-O 3.24Å; E735-K770 HydrophobicContact CB-CB 4.17Å; E735-K770 HydrophobicContact CB-CG 4.12Å; E735-K770 WeakPolarHBondContact OE2-CD 3.25Å; P764-K770 WeakPolarHBondContact O-CE 3.38Å; P764-K770 PolarHBondContact O-NZ 3.48Å; V767-K770 PolarHBondContact O-N 3.43Å
771	W	94	Very high	87.5	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	138.5	-167.6	-57.9	94.3	0	0	0	111.5	V656 F657 N658 F674 Y726 E735 L737 L748 A750 Q769	V656-W771 HydrophobicContact CG1-CE3 3.9Å; F657-W771 WeakPolarHBondContact O-CA 3.31Å; N658-W771 HydrophobicContact CB-CE3 3.98Å; N658-W771 HydrophobicContact CB-CH2 4.41Å; N658-W771 HydrophobicContact CB-CZ3 3.84Å; N658-W771 WeakPolarHBondContact ND2-CZ2 3.31Å; F674-W771 AromaticContact CE1-CH2 3.78Å; F674-W771 HydrophobicContact CE1-CH2 3.78Å; F674-W771 AromaticContact CE1-CZ3 3.82Å; F674-W771 HydrophobicContact CE1-CZ3 3.82Å; F674-W771 AromaticContact CZ-CH2 3.79Å; F674-W771 HydrophobicContact CZ-CH2 3.79Å; F674-W771 HydrophobicContact CZ-CZ3 4.32Å; Y726-W771 HydrophobicContact CE2-CB 4.33Å; Y726-W771 WeakPolarHBondContact CE2-O 3.37Å; Y726-W771 PolarHBondContact OH-O 2.96Å; E735-W771 PolarHBondContact O-N 3.37Å; L737-W771 HydrophobicContact CD1-CB 3.86Å; L737-W771 HydrophobicContact CD1-CD2 3.9Å; L737-W771 HydrophobicContact CD1-CG 3.56Å; L737-W771 HydrophobicContact CG-CB 4.23Å; L737-W771 HydrophobicContact CG-CG 4.09Å; L748-W771 HydrophobicContact CB-CZ2 4.13Å; L748-W771 HydrophobicContact CD2-CH2 4.14Å; L748-W771 HydrophobicContact CD2-CZ2 3.79Å; L748-W771 HydrophobicContact CG-CH2 4.5Å; L748-W771 HydrophobicContact CG-CZ2 3.83Å; L748-W771 PolarHBondContact O-NE1 2.93Å; A750-W771 HydrophobicContact CB-CH2 4.34Å; Q769-W771 PolarHBondContact O-NE1 2.99Å
772	E	93.9	Very high	87.3	Confident	54 Å²	54	66.9 Å²	66.9	25%	0.252	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	125.3	179.2	-63.6	179.5	121.5	0	0	110	V656 F657 R659 Y776	V656-E772 CarbonylContact C-O 3.56Å; V656-E772 WeakPolarHBondContact CA-O 3.49Å; F657-E772 HydrophobicContact CB-CB 4.38Å; F657-E772 HydrophobicContact CD1-CB 4.41Å; F657-E772 WeakPolarHBondContact CD1-OE2 3.39Å; F657-E772 PolarHBondContact N-O 2.9Å; F657-E772 PolarHBondContact O-N 3.39Å; R659-E772 WeakPolarHBondContact CG-OE2 3.45Å; R659-E772 IonicContact CZ-OE1 2.75Å; R659-E772 VanDerWaalsContact CZ-OE1 3.31Å; R659-E772 IonicContact CZ-OE2 3.07Å; R659-E772 IonicContact NE-OE1 2.79Å; R659-E772 PolarHBondContact NE-OE1 3.47Å; R659-E772 IonicContact NE-OE2 2.77Å; R659-E772 PolarHBondContact NE-OE2 3.21Å; R659-E772 IonicContact NH2-OE1 3.6Å; R659-E772 PolarHBondContact NH2-OE1 2.99Å; E772-Y776 WeakPolarHBondContact CA-OH 3.34Å
773	F	93.7	Very high	87.2	Confident	6 Å²	6	69.3 Å²	69.3	3%	0.026	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	146.8	165.3	-68.5	-101.9	0	0	0	109.3	A652 L655 V656 Y688 Y726 L737 Y776	A652-F773 HydrophobicContact CB-CB 3.68Å; A652-F773 HydrophobicContact CB-CD1 3.92Å; A652-F773 HydrophobicContact CB-CD2 4.15Å; A652-F773 HydrophobicContact CB-CG 3.64Å; L655-F773 CarbonylContact O-C 3.53Å; L655-F773 WeakPolarHBondContact O-CA 3.32Å; V656-F773 HydrophobicContact CG1-CE2 4.36Å; V656-F773 HydrophobicContact CG1-CZ 4.23Å; V656-F773 HydrophobicContact CG2-CD1 3.94Å; V656-F773 HydrophobicContact CG2-CE1 3.58Å; V656-F773 HydrophobicContact CG2-CZ 4.04Å; Y688-F773 HydrophobicContact CG-CZ 4.4Å; Y726-F773 HydrophobicContact CD1-CE2 4.32Å; Y726-F773 AromaticContact CE1-CD2 3.82Å; Y726-F773 HydrophobicContact CE1-CD2 3.82Å; Y726-F773 HydrophobicContact CE1-CE2 4.03Å; L737-F773 HydrophobicContact CD2-CE2 4.49Å; F773-Y776 HydrophobicContact CB-CD1 4.35Å; F773-Y776 HydrophobicContact CB-CE1 3.73Å; F773-Y776 HydrophobicContact CD2-CE1 4.33Å; F773-Y776 HydrophobicContact CG-CE1 4.47Å; F773-Y776 PolarHBondContact N-OH 3.17Å; F773-Y776 WeakPolarHBondContact O-CE2 3.44Å; F773-Y776 PolarHBondContact O-OH 3.13Å; F773-Y776 VanDerWaalsContact O-OH 3.06Å
774	T	92.3	Very high	86.9	Confident	79 Å²	79	67.6 Å²	67.6	49%	0.485	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	-40.4	179.6	-57.7	0	0	0	0	111.9	L655 L679	L655-T774 VanDerWaalsContact CB-OG1 3.31Å; L655-T774 WeakPolarHBondContact CB-OG1 3.45Å; L655-T774 PolarHBondContact N-OG1 2.89Å; L655-T774 VanDerWaalsContact N-OG1 3.13Å; L655-T774 PolarHBondContact O-N 3.06Å; L655-T774 PolarHBondContact O-OG1 3.26Å; L679-T774 HydrophobicContact CD2-CG2 3.92Å
775	R	89.9	Confident	86.8	Confident	135 Å²	135	67.8 Å²	67.8	51%	0.509	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	132.9	179.2	-162.9	-169	-163.9	175.3	4	110.3	A652 E653 H777	A652-R775 CarbonylContact C-O 3.49Å; A652-R775 WeakPolarHBondContact CA-O 3.44Å; A652-R775 VanDerWaalsContact CB-O 3.29Å; A652-R775 WeakPolarHBondContact CB-O 3.29Å; E653-R775 HydrophobicContact CG-CB 3.87Å; E653-R775 HydrophobicContact CG-CG 4.33Å; E653-R775 PolarHBondContact N-O 3.46Å; E653-R775 PolarHBondContact O-N 3.15Å; E653-R775 WeakPolarHBondContact OE1-CD 3.33Å; E653-R775 IonicContact OE1-CZ 2.68Å; E653-R775 IonicContact OE1-NE 2.82Å; E653-R775 IonicContact OE1-NH1 3.31Å; E653-R775 PolarHBondContact OE1-NH1 2.92Å; R775-H777 PolarHBondContact NE-NE2 3.35Å; R775-H777 PolarHBondContact NH1-NE2 3.08Å
776	Y	88.2	Confident	86.6	Confident	73 Å²	73	65.5 Å²	65.5	29%	0.286	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	138.1	168.1	-53	-80.3	0	0	0	108.8	A652 Y726 K727 E772 F773	A652-Y776 HydrophobicContact CB-CD1 3.79Å; A652-Y776 HydrophobicContact CB-CE1 4.28Å; Y726-Y776 HydrophobicContact CE1-CE1 4.02Å; Y726-Y776 PolarHBondContact OH-OH 2.75Å; K727-Y776 HydrophobicContact CD-CD1 4.33Å; K727-Y776 HydrophobicContact CD-CE1 4.21Å; K727-Y776 VanDerWaalsContact CE-CE1 3.48Å; K727-Y776 VanDerWaalsContact NZ-CE2 3.34Å; E772-Y776 WeakPolarHBondContact CA-OH 3.34Å; F773-Y776 HydrophobicContact CB-CD1 4.35Å; F773-Y776 HydrophobicContact CB-CE1 3.73Å; F773-Y776 HydrophobicContact CD2-CE1 4.33Å; F773-Y776 HydrophobicContact CG-CE1 4.47Å; F773-Y776 PolarHBondContact N-OH 3.17Å; F773-Y776 WeakPolarHBondContact O-CE2 3.44Å; F773-Y776 PolarHBondContact O-OH 3.13Å; F773-Y776 VanDerWaalsContact O-OH 3.06Å
777	H	82.6	Confident	86.1	Confident	50 Å²	50	69.5 Å²	69.5	23%	0.231	33%	0.331	C	S	.	.			trans	-92.1	122.3	165.9	-55.5	-83.6	0	0	0	107.5	P648 V650 K651 E653 R775	P648-H777 HydrophobicContact CB-CB 3.68Å; P648-H777 HydrophobicContact CG-CB 3.71Å; V650-H777 PolarHBondContact O-CD2 3.43Å; V650-H777 VanDerWaalsContact O-CD2 3.27Å; K651-H777 PolarHBondContact O-N 3.22Å; E653-H777 IonicContact OE1-NE2 3.58Å; E653-H777 PolarHBondContact OE1-NE2 3.36Å; E653-H777 VanDerWaalsContact OE1-NE2 3.15Å; E653-H777 IonicContact OE2-NE2 3.18Å; R775-H777 PolarHBondContact NE-NE2 3.35Å; R775-H777 PolarHBondContact NH1-NE2 3.08Å
778	L	58.9	Low	85.5	Confident	148 Å²	148	69.6 Å²	69.6	78%	0.775	32%	0.324	S	S	*	.			trans	-78.2	164.2	-176.4	-73.1	167.6	0	0	0	111.7
779	Q	51.8	Low	84.8	Confident	187 Å²	187	70.3 Å²	70.3	87%	0.874	33%	0.329	S	S	*	.			trans	-135.2	0	161.4	-69.2	-162.5	-41	0	0	109	H603 W690	H603-Q779 PolarHBondContact CE1-NE2 3.05Å; H603-Q779 PolarHBondContact CE1-OE1 2.75Å; H603-Q779 PolarHBondContact NE2-NE2 3.5Å; W690-Q779 HydrophobicContact CH2-CG 3.92Å

Retrieved 779 of 779 residues in 537.1 ms (Link to these results)

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