Q65A65_SCHMA Loading...

p2X ATP gated ion channel

AlphaFold DB , UniProt , Accession Q65A65, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene schP2X, Length 437 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	55.9	Low	77.5	Confident	219 Å²	219	132.8 Å²	132.8	100%	1.079	68%	0.682	S	S	*	*				0	-45.1	0	-143.3	169.6	-164.4	0	0	112.6	K3 G4	M1-K3 PolarHBondContact O-N 3.45Å; M1-G4 PolarHBondContact O-N 3.41Å; M1-G4 VanDerWaalsContact O-N 3.1Å
2	V	64.5	Low	78.5	Confident	127 Å²	127	136.7 Å²	136.7	77%	0.77	70%	0.695	S	S	*	*	H	α-helix	trans	-58.4	-36	-177.4	-176.3	0	0	0	0	114.8	G4 I5	V2-G4 VanDerWaalsContact C-N 3.29Å; V2-G4 PolarHBondContact O-N 3.14Å; V2-I5 PolarHBondContact O-N 3.2Å
3	K	66.4	Low	79.4	Confident	188 Å²	188	133.4 Å²	133.4	82%	0.817	69%	0.686	S	S	*	*	H	α-helix	trans	-65.8	-26.1	176.9	-72.6	-173.4	174.7	-176.4	0	114.2	M1	M1-K3 PolarHBondContact O-N 3.45Å
4	G	76.7	Confident	80.2	Confident	49 Å²	49	131.4 Å²	131.4	51%	0.505	69%	0.686	S	S	.	*	H	α-helix	trans	-76.5	-29.7	-178.6	0	0	0	0	0	113.6	M1 V2	M1-G4 PolarHBondContact O-N 3.41Å; M1-G4 VanDerWaalsContact O-N 3.1Å; V2-G4 VanDerWaalsContact C-N 3.29Å; V2-G4 PolarHBondContact O-N 3.14Å
5	I	77.2	Confident	80.7	Confident	98 Å²	98	133.9 Å²	133.9	50%	0.503	69%	0.689	S	S	.	*	H	α-helix	trans	-76.7	-33.5	178.3	-63.6	171.5	0	0	0	110.8	V2 V7 L8 F9	V2-I5 PolarHBondContact O-N 3.2Å; I5-V7 VanDerWaalsContact C-N 3.25Å; I5-V7 PolarHBondContact O-N 3.39Å; I5-L8 WeakPolarHBondContact O-CB 3.37Å; I5-L8 PolarHBondContact O-N 3.25Å; I5-F9 HydrophobicContact CG2-CD2 4.23Å; I5-F9 HydrophobicContact CG2-CE2 3.75Å; I5-F9 WeakPolarHBondContact O-CD2 3.39Å
6	A	81	Confident	81.1	Confident	53 Å²	53	135.1 Å²	135.1	44%	0.438	70%	0.696	S	S	.	*	H	α-helix	trans	-59	-37.8	177.7	0	0	0	0	0	112.3	L8 F9 E10	A6-L8 PolarHBondContact O-N 3.2Å; A6-F9 CarbonylContact O-C 3.6Å; A6-F9 PolarHBondContact O-N 3.44Å; A6-E10 PolarHBondContact O-N 3.04Å
7	V	83.8	Confident	81.4	Confident	85 Å²	85	131.3 Å²	131.3	52%	0.515	68%	0.68	S	S	.	*	H	α-helix	trans	-62.8	-28.8	176.9	-178.9	0	0	0	0	112.2	I5 F9 E10	I5-V7 VanDerWaalsContact C-N 3.25Å; I5-V7 PolarHBondContact O-N 3.39Å; V7-F9 PolarHBondContact O-N 3.04Å; V7-E10 PolarHBondContact O-N 3.4Å
8	L	82.4	Confident	81.7	Confident	142 Å²	142	132.1 Å²	132.1	74%	0.743	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-19.1	175.1	-63.3	170.7	0	0	0	113	I5 A6	I5-L8 WeakPolarHBondContact O-CB 3.37Å; I5-L8 PolarHBondContact O-N 3.25Å; A6-L8 PolarHBondContact O-N 3.2Å
9	F	87.6	Confident	81.8	Confident	171 Å²	171	128.3 Å²	128.3	75%	0.75	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.7	9.8	177.9	-62.5	-76.6	0	0	0	112.5	I5 A6 V7	I5-F9 HydrophobicContact CG2-CD2 4.23Å; I5-F9 HydrophobicContact CG2-CE2 3.75Å; I5-F9 WeakPolarHBondContact O-CD2 3.39Å; A6-F9 CarbonylContact O-C 3.6Å; A6-F9 PolarHBondContact O-N 3.44Å; V7-F9 PolarHBondContact O-N 3.04Å
10	E	88.9	Confident	81.9	Confident	128 Å²	128	127.6 Å²	127.6	60%	0.598	67%	0.668	S	S	*	*			trans	-78.2	125.3	171.8	-73.3	175.1	-174.5	0	0	109.5	A6 V7	A6-E10 PolarHBondContact O-N 3.04Å; V7-E10 PolarHBondContact O-N 3.4Å
11	Y	88.4	Confident	82.1	Confident	201 Å²	201	123.3 Å²	123.3	79%	0.788	65%	0.645	S	S	*	*			trans	-109.1	110	176.1	176	-115.8	0	0	0	109.1	T13	Y11-T13 HydrophobicContact CD1-CG2 3.61Å; Y11-T13 HydrophobicContact CE1-CG2 3.1Å
12	E	88.9	Confident	83.7	Confident	179 Å²	179	119.4 Å²	119.4	84%	0.836	63%	0.627	S	S	*	*			trans	-79.9	131.4	178.5	-64.3	-175.5	169	0	0	110.7
13	T	90.5	Very high	84.8	Confident	94 Å²	94	120.3 Å²	120.3	58%	0.577	62%	0.621	S	S	*	*			trans	-127.8	140.2	172.9	55.1	0	0	0	0	110.3	Y11	Y11-T13 HydrophobicContact CD1-CG2 3.61Å; Y11-T13 HydrophobicContact CE1-CG2 3.1Å
14	P	90	Very high	85.9	Confident	105 Å²	105	112.1 Å²	112.1	68%	0.682	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-71.7	137.3	176.4	29.1	-33.5	0	0	0	110.8	L16	P14-L16 HydrophobicContact CG-CD2 4.47Å; P14-L16 PolarHBondContact O-N 2.99Å
15	K	88.1	Confident	86.6	Confident	170 Å²	170	111.2 Å²	111.2	74%	0.739	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-68.1	120.2	167.7	-174.1	-178.1	176.5	-170.9	0	108.6	E374	K15-E374 IonicContact NZ-OE1 2.67Å; K15-E374 PolarHBondContact NZ-OE1 2.9Å
16	L	88	Confident	87.4	Confident	152 Å²	152	111 Å²	111	80%	0.796	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-101.8	143	-177.9	-63.5	173.2	0	0	0	111.1	P14	P14-L16 HydrophobicContact CG-CD2 4.47Å; P14-L16 PolarHBondContact O-N 2.99Å
17	V	85.9	Confident	87.9	Confident	71 Å²	71	110.7 Å²	110.7	43%	0.43	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-101.2	117.7	174	-179.6	0	0	0	0	109	I19 A371	V17-I19 HydrophobicContact CG1-CG1 4.26Å; V17-A371 HydrophobicContact CG1-CB 4.12Å; V17-A371 WeakPolarHBondContact CG2-O 3.37Å
18	Q	86.1	Confident	88.3	Confident	146 Å²	146	109.6 Å²	109.6	68%	0.682	56%	0.562	S	S	*	*			trans	-87.9	116	176.1	-175	173.8	-22.8	0	0	110.6
19	I	84.4	Confident	88.9	Confident	60 Å²	60	110.9 Å²	110.9	31%	0.308	56%	0.557	S	S	.	*			trans	-102.2	110.7	178.6	-62.5	167.8	0	0	0	110	V17 N21 I24 Y368	V17-I19 HydrophobicContact CG1-CG1 4.26Å; I19-N21 VanDerWaalsContact C-N 3.25Å; I19-N21 HydrophobicContact CG2-CB 3.84Å; I19-N21 PolarHBondContact O-N 3.14Å; I19-I24 HydrophobicContact CG2-CD1 3.82Å; I19-Y368 HydrophobicContact CB-CE1 4.33Å; I19-Y368 HydrophobicContact CD1-CD1 3.78Å; I19-Y368 HydrophobicContact CD1-CE1 4.08Å; I19-Y368 HydrophobicContact CG1-CD1 4.06Å; I19-Y368 HydrophobicContact CG1-CE1 4.06Å; I19-Y368 HydrophobicContact CG2-CD1 4.18Å; I19-Y368 HydrophobicContact CG2-CE1 3.36Å
20	S	83.8	Confident	89.3	Confident	114 Å²	114	107.8 Å²	107.8	80%	0.797	55%	0.548	S	S	*	.			trans	-83.8	52.8	177.6	51	0	0	0	0	113
21	N	86.6	Confident	89.6	Confident	37 Å²	37	104 Å²	104	20%	0.198	53%	0.531	C	S	.	.			trans	-110.9	118.4	176.3	-172.6	-28.6	0	0	0	111.7	I19 K23 I24 G25 Y368	I19-N21 VanDerWaalsContact C-N 3.25Å; I19-N21 HydrophobicContact CG2-CB 3.84Å; I19-N21 PolarHBondContact O-N 3.14Å; N21-K23 VanDerWaalsContact C-N 3.29Å; N21-K23 PolarHBondContact O-N 3.05Å; N21-K23 PolarHBondContact OD1-N 3.42Å; N21-I24 HydrophobicContact CB-CB 4.37Å; N21-I24 HydrophobicContact CB-CD1 4.01Å; N21-I24 HydrophobicContact CB-CG1 4.17Å; N21-I24 PolarHBondContact O-N 3.32Å; N21-G25 PolarHBondContact O-N 3.1Å; N21-Y368 PolarHBondContact ND2-OH 3.47Å
22	I	89.2	Confident	89.9	Confident	137 Å²	137	96.6 Å²	96.6	70%	0.703	50%	0.504	S	S	*	.	H	α-helix	trans	-56.7	-37.8	-178.2	-163.9	165.5	0	0	0	113.2	G25 V26	I22-G25 PolarHBondContact O-N 3.39Å; I22-V26 HydrophobicContact CG1-CG2 4.27Å; I22-V26 WeakPolarHBondContact O-CB 2.69Å; I22-V26 VanDerWaalsContact O-CG2 3.25Å; I22-V26 WeakPolarHBondContact O-CG2 3.09Å; I22-V26 PolarHBondContact O-N 3.47Å
23	K	87.7	Confident	90.3	Very high	147 Å²	147	92.4 Å²	92.4	64%	0.639	49%	0.487	S	S	*	.	H	α-helix	trans	-67.1	-43.8	-178.5	-66	-176.1	179	-178	0	111.6	N21 T27	N21-K23 VanDerWaalsContact C-N 3.29Å; N21-K23 PolarHBondContact O-N 3.05Å; N21-K23 PolarHBondContact OD1-N 3.42Å; K23-T27 WeakPolarHBondContact O-CB 3.19Å; K23-T27 PolarHBondContact O-N 3.38Å; K23-T27 PolarHBondContact O-OG1 3.29Å
24	I	89.7	Confident	90.5	Very high	16 Å²	16	92 Å²	92	8%	0.082	48%	0.484	C	S	.	.	H	α-helix	trans	-67.7	-46.5	177.2	-59	175.1	0	0	0	109.5	I19 N21 V26 T27 Q28 C354 A358 L362 Y368	I19-I24 HydrophobicContact CG2-CD1 3.82Å; N21-I24 HydrophobicContact CB-CB 4.37Å; N21-I24 HydrophobicContact CB-CD1 4.01Å; N21-I24 HydrophobicContact CB-CG1 4.17Å; N21-I24 PolarHBondContact O-N 3.32Å; I24-V26 PolarHBondContact O-N 3.02Å; I24-T27 PolarHBondContact O-N 3.01Å; I24-T27 VanDerWaalsContact O-N 3.16Å; I24-Q28 WeakPolarHBondContact O-CB 3.44Å; I24-Q28 PolarHBondContact O-N 2.89Å; I24-C354 HydrophobicContact CG2-CB 4.28Å; I24-A358 HydrophobicContact CD1-CB 3.93Å; I24-L362 HydrophobicContact CD1-CD1 3.42Å; I24-L362 VanDerWaalsContact CD1-CD1 3.42Å; I24-L362 HydrophobicContact CG1-CD1 3.55Å; I24-Y368 HydrophobicContact CD1-CE1 4.48Å; I24-Y368 HydrophobicContact CD1-CE2 4.33Å
25	G	91.2	Very high	90.8	Very high	30 Å²	30	88.3 Å²	88.3	31%	0.309	46%	0.458	S	S	.	.	H	α-helix	trans	-57.5	-47.2	178.9	0	0	0	0	0	112.6	N21 I22 Q28 R29	N21-G25 PolarHBondContact O-N 3.1Å; I22-G25 PolarHBondContact O-N 3.39Å; G25-Q28 PolarHBondContact O-N 3.01Å; G25-R29 VanDerWaalsContact O-CG 3.32Å; G25-R29 WeakPolarHBondContact O-CG 3.38Å; G25-R29 PolarHBondContact O-N 3.3Å
26	V	92.9	Very high	91.1	Very high	92 Å²	92	84.7 Å²	84.7	56%	0.558	45%	0.446	S	S	*	.	H	α-helix	trans	-62.2	-44.1	175.6	170.9	0	0	0	0	111.1	I22 I24 Q28 R29 L30	I22-V26 HydrophobicContact CG1-CG2 4.27Å; I22-V26 WeakPolarHBondContact O-CB 2.69Å; I22-V26 VanDerWaalsContact O-CG2 3.25Å; I22-V26 WeakPolarHBondContact O-CG2 3.09Å; I22-V26 PolarHBondContact O-N 3.47Å; I24-V26 PolarHBondContact O-N 3.02Å; V26-Q28 PolarHBondContact O-N 3Å; V26-R29 PolarHBondContact O-N 3.01Å; V26-L30 VanDerWaalsContact O-CB 3.3Å; V26-L30 WeakPolarHBondContact O-CB 3.47Å; V26-L30 PolarHBondContact O-N 2.9Å
27	T	91.6	Very high	91.5	Very high	47 Å²	47	81.6 Å²	81.6	29%	0.288	43%	0.429	S	S	.	.	H	α-helix	trans	-61.5	-44.8	178.6	-55.3	0	0	0	0	111.6	K23 I24 L30 L31 I357	K23-T27 WeakPolarHBondContact O-CB 3.19Å; K23-T27 PolarHBondContact O-N 3.38Å; K23-T27 PolarHBondContact O-OG1 3.29Å; I24-T27 PolarHBondContact O-N 3.01Å; I24-T27 VanDerWaalsContact O-N 3.16Å; T27-L30 PolarHBondContact O-N 2.92Å; T27-L31 HydrophobicContact CG2-CD1 4.17Å; T27-L31 WeakPolarHBondContact O-CG 3.37Å; T27-L31 PolarHBondContact O-N 3.03Å; T27-I357 HydrophobicContact CG2-CD1 3.94Å
28	Q	93.2	Very high	92	Very high	63 Å²	63	83.9 Å²	83.9	29%	0.294	43%	0.431	S	S	.	.	H	α-helix	trans	-62.1	-47.3	177.6	-175.3	-179.1	-4.5	0	0	111.7	I24 G25 V26 L30 L31 Q32 C354	I24-Q28 WeakPolarHBondContact O-CB 3.44Å; I24-Q28 PolarHBondContact O-N 2.89Å; G25-Q28 PolarHBondContact O-N 3.01Å; V26-Q28 PolarHBondContact O-N 3Å; Q28-L30 VanDerWaalsContact C-N 3.34Å; Q28-L31 PolarHBondContact O-N 3.42Å; Q28-Q32 WeakPolarHBondContact O-CB 3.48Å; Q28-Q32 VanDerWaalsContact O-CG 3.32Å; Q28-Q32 WeakPolarHBondContact O-CG 3.38Å; Q28-Q32 PolarHBondContact O-N 2.86Å; Q28-C354 VanDerWaalsContact CA-SG 3.52Å; Q28-C354 VanDerWaalsContact CB-SG 3.59Å
29	R	94.8	Very high	92.4	Very high	169 Å²	169	77.7 Å²	77.7	64%	0.638	40%	0.403	S	S	*	.	H	α-helix	trans	-66.2	-36.9	179.2	-66.3	-55.2	-176.1	-177.2	4.6	112.1	G25 V26 L33	G25-R29 VanDerWaalsContact O-CG 3.32Å; G25-R29 WeakPolarHBondContact O-CG 3.38Å; G25-R29 PolarHBondContact O-N 3.3Å; V26-R29 PolarHBondContact O-N 3.01Å; R29-L33 VanDerWaalsContact O-CB 3.26Å; R29-L33 WeakPolarHBondContact O-CB 3.39Å; R29-L33 PolarHBondContact O-N 3.21Å
30	L	95.5	Very high	92.9	Very high	106 Å²	106	77.9 Å²	77.9	56%	0.555	41%	0.407	S	S	*	.	H	α-helix	trans	-63.1	-47.7	173.9	-172.1	77.3	0	0	0	111.2	V26 T27 Q28 Q32 L33 V34	V26-L30 VanDerWaalsContact O-CB 3.3Å; V26-L30 WeakPolarHBondContact O-CB 3.47Å; V26-L30 PolarHBondContact O-N 2.9Å; T27-L30 PolarHBondContact O-N 2.92Å; Q28-L30 VanDerWaalsContact C-N 3.34Å; L30-Q32 PolarHBondContact O-N 3.39Å; L30-L33 PolarHBondContact O-N 3.2Å; L30-V34 VanDerWaalsContact O-CG2 3.32Å; L30-V34 WeakPolarHBondContact O-CG2 3.41Å; L30-V34 PolarHBondContact O-N 3.04Å
31	L	95.1	Very high	93.5	Very high	49 Å²	49	75.6 Å²	75.6	26%	0.257	39%	0.391	S	S	.	.	H	α-helix	trans	-61.2	-45.4	177.3	-74.6	169.9	0	0	0	111.8	T27 Q28 L33 V34 I35 A350 V353	T27-L31 HydrophobicContact CG2-CD1 4.17Å; T27-L31 WeakPolarHBondContact O-CG 3.37Å; T27-L31 PolarHBondContact O-N 3.03Å; Q28-L31 PolarHBondContact O-N 3.42Å; L31-L33 VanDerWaalsContact C-N 3.32Å; L31-L33 PolarHBondContact O-N 2.95Å; L31-V34 PolarHBondContact O-N 3.03Å; L31-I35 WeakPolarHBondContact O-CD1 3.37Å; L31-I35 VanDerWaalsContact O-CG1 3.28Å; L31-I35 WeakPolarHBondContact O-CG1 3.44Å; L31-I35 PolarHBondContact O-N 3.2Å; L31-A350 HydrophobicContact CB-CB 3.95Å; L31-V353 HydrophobicContact CD1-CB 3.96Å; L31-V353 HydrophobicContact CD1-CG1 3.72Å
32	Q	95.4	Very high	93.9	Very high	45 Å²	45	79.7 Å²	79.7	21%	0.21	40%	0.403	C	S	.	.	H	α-helix	trans	-59.6	-43.1	175	-74.5	178	-18	0	0	111.8	Q28 L30 I35 L36 L347 A350	Q28-Q32 WeakPolarHBondContact O-CB 3.48Å; Q28-Q32 VanDerWaalsContact O-CG 3.32Å; Q28-Q32 WeakPolarHBondContact O-CG 3.38Å; Q28-Q32 PolarHBondContact O-N 2.86Å; L30-Q32 PolarHBondContact O-N 3.39Å; Q32-I35 PolarHBondContact O-N 3.06Å; Q32-L36 VanDerWaalsContact O-CB 3.25Å; Q32-L36 WeakPolarHBondContact O-CB 3.33Å; Q32-L36 PolarHBondContact O-N 3.17Å; Q32-L347 HydrophobicContact CB-CD2 4.45Å; Q32-L347 HydrophobicContact CG-CD2 4.47Å; Q32-A350 HydrophobicContact CG-CB 3.81Å
33	L	95.9	Very high	94.2	Very high	91 Å²	91	74.5 Å²	74.5	48%	0.476	38%	0.378	S	S	.	.	H	α-helix	trans	-63.8	-43.7	177.6	-178.6	64.8	0	0	0	111.6	R29 L30 L31 L36 I37	R29-L33 VanDerWaalsContact O-CB 3.26Å; R29-L33 WeakPolarHBondContact O-CB 3.39Å; R29-L33 PolarHBondContact O-N 3.21Å; L30-L33 PolarHBondContact O-N 3.2Å; L31-L33 VanDerWaalsContact C-N 3.32Å; L31-L33 PolarHBondContact O-N 2.95Å; L33-L36 PolarHBondContact O-N 3.17Å; L33-I37 HydrophobicContact CD1-CD1 4.08Å; L33-I37 HydrophobicContact CD1-CG1 4.32Å; L33-I37 HydrophobicContact CG-CD1 3.88Å; L33-I37 HydrophobicContact CG-CG1 4.49Å; L33-I37 WeakPolarHBondContact O-CB 3.37Å; L33-I37 VanDerWaalsContact O-CG1 3.24Å; L33-I37 WeakPolarHBondContact O-CG1 3.46Å; L33-I37 PolarHBondContact O-N 3.28Å
34	V	96	Very high	94.5	Very high	86 Å²	86	68.9 Å²	68.9	52%	0.521	35%	0.354	S	S	.	.	H	α-helix	trans	-61.3	-46.6	176.7	169.6	0	0	0	0	111	L30 L31 I37 Y38	L30-V34 VanDerWaalsContact O-CG2 3.32Å; L30-V34 WeakPolarHBondContact O-CG2 3.41Å; L30-V34 PolarHBondContact O-N 3.04Å; L31-V34 PolarHBondContact O-N 3.03Å; V34-I37 PolarHBondContact O-N 3Å; V34-Y38 WeakPolarHBondContact O-CB 3.27Å; V34-Y38 PolarHBondContact O-N 2.83Å
35	I	95.4	Very high	94.7	Very high	27 Å²	27	73.4 Å²	73.4	14%	0.138	38%	0.377	C	S	.	.	H	α-helix	trans	-63	-44.6	177.6	-66.1	163.2	0	0	0	110.4	L31 Q32 I37 Y38 V39 L346 L347 A350	L31-I35 WeakPolarHBondContact O-CD1 3.37Å; L31-I35 VanDerWaalsContact O-CG1 3.28Å; L31-I35 WeakPolarHBondContact O-CG1 3.44Å; L31-I35 PolarHBondContact O-N 3.2Å; Q32-I35 PolarHBondContact O-N 3.06Å; I35-I37 PolarHBondContact O-N 3.11Å; I35-Y38 WeakPolarHBondContact O-CB 3.47Å; I35-Y38 PolarHBondContact O-N 3.35Å; I35-V39 HydrophobicContact CG2-CG2 4.37Å; I35-V39 WeakPolarHBondContact O-CG2 3.48Å; I35-V39 PolarHBondContact O-N 3.37Å; I35-L346 HydrophobicContact CG2-CB 3.91Å; I35-L347 HydrophobicContact CB-CD2 4Å; I35-L347 HydrophobicContact CG2-CD2 3.71Å; I35-L347 HydrophobicContact CG2-CG 4.29Å; I35-A350 HydrophobicContact CD1-CB 4.37Å
36	L	95.1	Very high	94.9	Very high	93 Å²	93	79.4 Å²	79.4	49%	0.487	39%	0.392	S	S	.	.	H	α-helix	trans	-61.3	-45.4	178.1	-176.1	70.4	0	0	0	111.6	Q32 L33 Y38 V39 V40	Q32-L36 VanDerWaalsContact O-CB 3.25Å; Q32-L36 WeakPolarHBondContact O-CB 3.33Å; Q32-L36 PolarHBondContact O-N 3.17Å; L33-L36 PolarHBondContact O-N 3.17Å; L36-Y38 VanDerWaalsContact C-N 3.33Å; L36-Y38 PolarHBondContact O-N 2.83Å; L36-V39 PolarHBondContact O-N 3.11Å; L36-V40 HydrophobicContact CD1-CG2 4.06Å; L36-V40 HydrophobicContact CG-CG2 4.37Å; L36-V40 WeakPolarHBondContact O-CB 3.34Å; L36-V40 WeakPolarHBondContact O-CG2 3.25Å; L36-V40 PolarHBondContact O-N 3.33Å
37	I	96.2	Very high	94.9	Very high	87 Å²	87	80.2 Å²	80.2	45%	0.446	39%	0.39	S	S	.	.	H	α-helix	trans	-60.3	-44.5	175.7	-72	168.3	0	0	0	110.2	L33 V34 I35 C41	L33-I37 HydrophobicContact CD1-CD1 4.08Å; L33-I37 HydrophobicContact CD1-CG1 4.32Å; L33-I37 HydrophobicContact CG-CD1 3.88Å; L33-I37 HydrophobicContact CG-CG1 4.49Å; L33-I37 WeakPolarHBondContact O-CB 3.37Å; L33-I37 VanDerWaalsContact O-CG1 3.24Å; L33-I37 WeakPolarHBondContact O-CG1 3.46Å; L33-I37 PolarHBondContact O-N 3.28Å; V34-I37 PolarHBondContact O-N 3Å; I35-I37 PolarHBondContact O-N 3.11Å; I37-C41 HydrophobicContact CG2-CB 4.42Å; I37-C41 WeakPolarHBondContact O-CA 3.23Å; I37-C41 WeakPolarHBondContact O-CB 3.41Å; I37-C41 PolarHBondContact O-N 3.4Å
38	Y	95.4	Very high	95.1	Very high	119 Å²	119	81.3 Å²	81.3	47%	0.467	39%	0.391	S	S	.	.	I	π-helix	trans	-59.5	-51.3	176.4	169	-98.9	0	0	0	111.8	V34 I35 L36 V40 W42 V43 L346	V34-Y38 WeakPolarHBondContact O-CB 3.27Å; V34-Y38 PolarHBondContact O-N 2.83Å; I35-Y38 WeakPolarHBondContact O-CB 3.47Å; I35-Y38 PolarHBondContact O-N 3.35Å; L36-Y38 VanDerWaalsContact C-N 3.33Å; L36-Y38 PolarHBondContact O-N 2.83Å; Y38-V40 PolarHBondContact O-N 3.18Å; Y38-W42 HydrophobicContact CD2-CB 4.07Å; Y38-W42 HydrophobicContact CD2-CG 4.36Å; Y38-W42 HydrophobicContact CE2-CB 4.27Å; Y38-W42 AromaticContact CE2-CD1 3.84Å; Y38-W42 HydrophobicContact CE2-CG 4.12Å; Y38-W42 WeakPolarHBondContact O-CA 3.49Å; Y38-W42 WeakPolarHBondContact O-CB 3.3Å; Y38-W42 PolarHBondContact O-N 3.4Å; Y38-V43 HydrophobicContact CD1-CG2 4.43Å; Y38-V43 HydrophobicContact CE1-CG2 3.85Å; Y38-V43 PolarHBondContact O-N 2.98Å; Y38-L346 HydrophobicContact CE1-CD1 4.39Å
39	V	95.5	Very high	95.2	Very high	16 Å²	16	79 Å²	79	10%	0.097	38%	0.384	C	S	.	.	I	π-helix	trans	-62.6	-46.7	-178.9	174.4	0	0	0	0	111.1	I35 L36 V43 M44 L346	I35-V39 HydrophobicContact CG2-CG2 4.37Å; I35-V39 WeakPolarHBondContact O-CG2 3.48Å; I35-V39 PolarHBondContact O-N 3.37Å; L36-V39 PolarHBondContact O-N 3.11Å; V39-V43 WeakPolarHBondContact O-CB 3.31Å; V39-V43 PolarHBondContact O-N 3.46Å; V39-M44 VanDerWaalsContact O-CG 3.27Å; V39-M44 WeakPolarHBondContact O-CG 3.41Å; V39-M44 PolarHBondContact O-N 2.93Å; V39-L346 HydrophobicContact CG2-CD1 4.34Å
40	V	94.9	Very high	95.2	Very high	64 Å²	64	73.4 Å²	73.4	39%	0.388	36%	0.363	S	S	.	.	I	π-helix	trans	-76.4	-49.8	-175.4	177.1	0	0	0	0	111.8	L36 Y38 M44 I45	L36-V40 HydrophobicContact CD1-CG2 4.06Å; L36-V40 HydrophobicContact CG-CG2 4.37Å; L36-V40 WeakPolarHBondContact O-CB 3.34Å; L36-V40 WeakPolarHBondContact O-CG2 3.25Å; L36-V40 PolarHBondContact O-N 3.33Å; Y38-V40 PolarHBondContact O-N 3.18Å; V40-M44 WeakPolarHBondContact O-CB 3.36Å; V40-I45 HydrophobicContact CG1-CD1 4.27Å; V40-I45 WeakPolarHBondContact O-CG1 3.46Å; V40-I45 PolarHBondContact O-N 3.13Å
41	C	95.8	Very high	95.3	Very high	67 Å²	67	69.1 Å²	69.1	45%	0.453	34%	0.34	S	S	.	.	I	π-helix	trans	-78.9	-43.1	-174.2	-59.9	0	0	0	0	112.5	I37 Y46	I37-C41 HydrophobicContact CG2-CB 4.42Å; I37-C41 WeakPolarHBondContact O-CA 3.23Å; I37-C41 WeakPolarHBondContact O-CB 3.41Å; I37-C41 PolarHBondContact O-N 3.4Å; C41-Y46 WeakPolarHBondContact O-CB 3.36Å; C41-Y46 PolarHBondContact O-N 3.39Å
42	W	96	Very high	95.3	Very high	122 Å²	122	69.5 Å²	69.5	46%	0.462	34%	0.341	S	S	.	.	I	π-helix	trans	-84.7	-62.9	-177	-174.7	-90.3	0	0	0	111.6	Y38 Y46 E47	Y38-W42 HydrophobicContact CD2-CB 4.07Å; Y38-W42 HydrophobicContact CD2-CG 4.36Å; Y38-W42 HydrophobicContact CE2-CB 4.27Å; Y38-W42 AromaticContact CE2-CD1 3.84Å; Y38-W42 HydrophobicContact CE2-CG 4.12Å; Y38-W42 WeakPolarHBondContact O-CA 3.49Å; Y38-W42 WeakPolarHBondContact O-CB 3.3Å; Y38-W42 PolarHBondContact O-N 3.4Å; W42-Y46 HydrophobicContact CD2-CD1 4.28Å; W42-Y46 HydrophobicContact CE3-CD1 4.11Å; W42-Y46 HydrophobicContact CE3-CG 4.41Å; W42-Y46 HydrophobicContact CH2-CD1 4.02Å; W42-Y46 AromaticContact CH2-CE1 3.78Å; W42-Y46 HydrophobicContact CH2-CE1 3.78Å; W42-Y46 HydrophobicContact CZ2-CD1 4.18Å; W42-Y46 HydrophobicContact CZ2-CE1 4.14Å; W42-Y46 AromaticContact CZ3-CD1 3.98Å; W42-Y46 HydrophobicContact CZ3-CD1 3.98Å; W42-Y46 HydrophobicContact CZ3-CE1 4.04Å; W42-Y46 HydrophobicContact CZ3-CG 4.47Å; W42-Y46 WeakPolarHBondContact O-CB 3.24Å; W42-Y46 PolarHBondContact O-N 2.78Å; W42-E47 PolarHBondContact O-N 3.04Å
43	V	95.5	Very high	95.4	Very high	28 Å²	28	71 Å²	71	17%	0.17	35%	0.35	C	S	.	.	I	π-helix	trans	-69	-45.7	-172.3	-178.6	0	0	0	0	111.3	Y38 V39 G49 N339	Y38-V43 HydrophobicContact CD1-CG2 4.43Å; Y38-V43 HydrophobicContact CE1-CG2 3.85Å; Y38-V43 PolarHBondContact O-N 2.98Å; V39-V43 WeakPolarHBondContact O-CB 3.31Å; V39-V43 PolarHBondContact O-N 3.46Å; V43-G49 WeakPolarHBondContact O-CA 3.28Å; V43-G49 PolarHBondContact O-N 3.21Å; V43-N339 HydrophobicContact CG1-CB 4.41Å
44	M	93.8	Very high	95.4	Very high	30 Å²	30	68.1 Å²	68.1	15%	0.148	34%	0.335	C	S	.	.	I	π-helix	trans	-82.7	-50	-175	-65.6	-74	-72.9	0	0	112.4	V39 V40 K48 Y50 L336 N339	V39-M44 VanDerWaalsContact O-CG 3.27Å; V39-M44 WeakPolarHBondContact O-CG 3.41Å; V39-M44 PolarHBondContact O-N 2.93Å; V40-M44 WeakPolarHBondContact O-CB 3.36Å; M44-K48 VanDerWaalsContact O-CA 3.24Å; M44-K48 WeakPolarHBondContact O-CA 3.39Å; M44-K48 PolarHBondContact O-N 3.07Å; M44-Y50 WeakPolarHBondContact O-CD1 3.28Å; M44-Y50 WeakPolarHBondContact O-CE1 3.25Å; M44-L336 HydrophobicContact CE-CD1 3.14Å; M44-L336 HydrophobicContact SD-CD1 4.25Å; M44-N339 HydrophobicContact SD-CB 4.18Å
45	I	94.2	Very high	95.4	Very high	110 Å²	110	70.4 Å²	70.4	56%	0.564	34%	0.343	S	S	*	.	I	π-helix	trans	-86.3	-51.1	-174	-64.7	168.1	0	0	0	112.5	V40	V40-I45 HydrophobicContact CG1-CD1 4.27Å; V40-I45 WeakPolarHBondContact O-CG1 3.46Å; V40-I45 PolarHBondContact O-N 3.13Å
46	Y	94.5	Very high	95.5	Very high	156 Å²	156	70 Å²	70	61%	0.612	34%	0.343	S	S	*	.	I	π-helix	trans	-74.2	-51.3	-173.4	-177.8	-94.6	0	0	0	112.6	C41 W42 K48	C41-Y46 WeakPolarHBondContact O-CB 3.36Å; C41-Y46 PolarHBondContact O-N 3.39Å; W42-Y46 HydrophobicContact CD2-CD1 4.28Å; W42-Y46 HydrophobicContact CE3-CD1 4.11Å; W42-Y46 HydrophobicContact CE3-CG 4.41Å; W42-Y46 HydrophobicContact CH2-CD1 4.02Å; W42-Y46 AromaticContact CH2-CE1 3.78Å; W42-Y46 HydrophobicContact CH2-CE1 3.78Å; W42-Y46 HydrophobicContact CZ2-CD1 4.18Å; W42-Y46 HydrophobicContact CZ2-CE1 4.14Å; W42-Y46 AromaticContact CZ3-CD1 3.98Å; W42-Y46 HydrophobicContact CZ3-CD1 3.98Å; W42-Y46 HydrophobicContact CZ3-CE1 4.04Å; W42-Y46 HydrophobicContact CZ3-CG 4.47Å; W42-Y46 WeakPolarHBondContact O-CB 3.24Å; W42-Y46 PolarHBondContact O-N 2.78Å; Y46-K48 VanDerWaalsContact C-N 3.28Å; Y46-K48 PolarHBondContact O-N 3.33Å
47	E	94.2	Very high	95.5	Very high	110 Å²	110	71.3 Å²	71.3	51%	0.514	35%	0.345	S	S	.	.	S	Bend	trans	-81.6	-6	177.6	-66.9	-64.4	161.6	0	0	113.2	W42 G49	W42-E47 PolarHBondContact O-N 3.04Å; E47-G49 VanDerWaalsContact C-N 3.27Å; E47-G49 PolarHBondContact O-N 3.41Å
48	K	95.4	Very high	95.5	Very high	70 Å²	70	69.7 Å²	69.7	30%	0.304	34%	0.342	S	S	.	.			trans	51.5	41.9	-177.2	-55.9	-171.9	-172.4	-176.4	0	113.6	M44 Y46 Y50 Q51 D266	M44-K48 VanDerWaalsContact O-CA 3.24Å; M44-K48 WeakPolarHBondContact O-CA 3.39Å; M44-K48 PolarHBondContact O-N 3.07Å; Y46-K48 VanDerWaalsContact C-N 3.28Å; Y46-K48 PolarHBondContact O-N 3.33Å; K48-Y50 HydrophobicContact CB-CE1 4.11Å; K48-Y50 HydrophobicContact CG-CE1 4.39Å; K48-Y50 PolarHBondContact O-N 3.27Å; K48-Q51 HydrophobicContact CB-CB 4.49Å; K48-Q51 HydrophobicContact CB-CG 4.11Å; K48-Q51 WeakPolarHBondContact O-CB 3.37Å; K48-Q51 PolarHBondContact O-N 3.11Å; K48-D266 IonicContact NZ-OD2 2.88Å; K48-D266 PolarHBondContact NZ-OD2 2.94Å
49	G	94.3	Very high	95.5	Very high	15 Å²	15	66.7 Å²	66.7	16%	0.155	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-4.7	-177.8	0	0	0	0	0	115.6	V43 E47 Q51 P335 N339	V43-G49 WeakPolarHBondContact O-CA 3.28Å; V43-G49 PolarHBondContact O-N 3.21Å; E47-G49 VanDerWaalsContact C-N 3.27Å; E47-G49 PolarHBondContact O-N 3.41Å; G49-Q51 VanDerWaalsContact C-N 3.35Å; G49-P335 CarbonylContact O-C 3.58Å; G49-P335 WeakPolarHBondContact O-CB 3.41Å; G49-N339 WeakPolarHBondContact CA-ND2 3.39Å; G49-N339 PolarHBondContact O-ND2 3.12Å
50	Y	96.1	Very high	95.6	Very high	50 Å²	50	66.8 Å²	66.8	20%	0.196	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-7.6	171.4	63.2	-92.2	0	0	0	113.4	M44 K48 D268 F331 H332	M44-Y50 WeakPolarHBondContact O-CD1 3.28Å; M44-Y50 WeakPolarHBondContact O-CE1 3.25Å; K48-Y50 HydrophobicContact CB-CE1 4.11Å; K48-Y50 HydrophobicContact CG-CE1 4.39Å; K48-Y50 PolarHBondContact O-N 3.27Å; Y50-D268 WeakPolarHBondContact CE2-OD2 3.24Å; Y50-F331 AromaticContact CD2-CD2 3.78Å; Y50-F331 HydrophobicContact CD2-CD2 3.78Å; Y50-F331 HydrophobicContact CE2-CD2 4.46Å; Y50-H332 PolarHBondContact O-N 3.06Å; Y50-H332 VanDerWaalsContact O-N 3.1Å
51	Q	96.6	Very high	95.6	Very high	16 Å²	16	67.6 Å²	67.6	8%	0.075	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	146.9	178.2	-62.4	-172.3	-28.5	0	0	110.8	K48 G49 D266 D268 K330	K48-Q51 HydrophobicContact CB-CB 4.49Å; K48-Q51 HydrophobicContact CB-CG 4.11Å; K48-Q51 WeakPolarHBondContact O-CB 3.37Å; K48-Q51 PolarHBondContact O-N 3.11Å; G49-Q51 VanDerWaalsContact C-N 3.35Å; Q51-D266 PolarHBondContact NE2-OD1 3.32Å; Q51-D268 PolarHBondContact NE2-OD2 2.9Å; Q51-K330 CarbonylContact C-O 3.53Å; Q51-K330 VanDerWaalsContact CA-O 3.3Å; Q51-K330 WeakPolarHBondContact CA-O 3.44Å
52	E	96.3	Very high	95.5	Very high	58 Å²	58	66.5 Å²	66.5	27%	0.271	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	134.2	160.7	-175.9	169.3	-142.4	0	0	108.1	K200 F201 G329 K330 H332 P335	E52-K200 HydrophobicContact CG-CD 4.45Å; E52-K200 WeakPolarHBondContact OE1-CE 3.32Å; E52-K200 IonicContact OE1-NZ 2.66Å; E52-K200 PolarHBondContact OE1-NZ 2.97Å; E52-K200 WeakPolarHBondContact OE2-CE 3.37Å; E52-K200 IonicContact OE2-NZ 2.83Å; E52-F201 VanDerWaalsContact O-CZ 3.23Å; E52-F201 WeakPolarHBondContact O-CZ 3.3Å; E52-G329 WeakPolarHBondContact O-CA 3.36Å; E52-K330 PolarHBondContact N-O 3.01Å; E52-K330 PolarHBondContact O-N 2.98Å; E52-H332 HydrophobicContact CB-CB 3.64Å; E52-H332 IonicContact OE2-CD2 3.64Å; E52-H332 IonicContact OE2-CG 2.69Å; E52-P335 HydrophobicContact CB-CG 4.36Å
53	N	95.5	Very high	95.5	Very high	76 Å²	76	66.6 Å²	66.6	41%	0.406	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	152.9	-176.8	-62.8	-6.7	0	0	0	111.8	E327 A328 G329	N53-E327 PolarHBondContact ND2-OE1 2.6Å; N53-E327 VanDerWaalsContact ND2-OE1 3.13Å; N53-A328 CarbonylContact C-O 3.58Å; N53-A328 WeakPolarHBondContact CA-O 3.35Å; N53-G329 WeakPolarHBondContact OD1-CA 3.48Å
54	D	96.6	Very high	95.5	Very high	30 Å²	30	65.7 Å²	65.7	16%	0.16	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	149.2	171.1	-168.6	22.6	0	0	0	110.5	F198 E199 K200 F201 A328	D54-F198 HydrophobicContact CB-CD1 4.33Å; D54-F198 VanDerWaalsContact OD2-CA 3.3Å; D54-F198 WeakPolarHBondContact OD2-CA 3.46Å; D54-F198 WeakPolarHBondContact OD2-CB 3.45Å; D54-E199 PolarHBondContact OD2-N 2.92Å; D54-E199 VanDerWaalsContact OD2-N 3.1Å; D54-K200 HydrophobicContact CB-CB 3.84Å; D54-K200 HydrophobicContact CB-CD 4.21Å; D54-K200 WeakPolarHBondContact OD2-CB 3.13Å; D54-K200 PolarHBondContact OD2-N 3.35Å; D54-F201 HydrophobicContact CB-CD2 3.81Å; D54-F201 HydrophobicContact CB-CE2 3.33Å; D54-F201 HydrophobicContact CB-CZ 4Å; D54-A328 PolarHBondContact N-O 3.46Å; D54-A328 PolarHBondContact O-N 3.45Å
55	I	96.8	Very high	95.5	Very high	135 Å²	135	70.4 Å²	70.4	69%	0.692	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	129.4	178.5	-59.7	173.7	0	0	0	108.4	G326	I55-G326 CarbonylContact C-O 3.49Å; I55-G326 WeakPolarHBondContact CA-O 3.02Å
56	A	96.3	Very high	95.5	Very high	17 Å²	17	66.1 Å²	66.1	14%	0.14	34%	0.34	C	S	.	.			trans	-70.4	140.6	-178.3	0	0	0	0	0	112.5	I196 N197 F198 G326	A56-I196 HydrophobicContact CB-CB 4.05Å; A56-I196 HydrophobicContact CB-CG2 4.45Å; A56-N197 WeakPolarHBondContact CA-O 3.5Å; A56-F198 HydrophobicContact CB-CD1 3.86Å; A56-F198 HydrophobicContact CB-CE1 3.51Å; A56-F198 HydrophobicContact CB-CZ 3.93Å; A56-G326 PolarHBondContact N-O 3.4Å
57	K	96.2	Very high	95.5	Very high	122 Å²	122	64 Å²	64	53%	0.53	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	136.2	155.5	-64.8	-172.8	-173	168.7	0	109	I196 N197 E199	K57-I196 CarbonylContact O-C 3.51Å; K57-I196 VanDerWaalsContact O-CA 3.28Å; K57-I196 WeakPolarHBondContact O-CA 3.38Å; K57-N197 PolarHBondContact N-O 3.34Å; K57-N197 PolarHBondContact O-N 3.26Å; K57-E199 HydrophobicContact CD-CG 4.47Å; K57-E199 VanDerWaalsContact CD-OE1 3.27Å; K57-E199 WeakPolarHBondContact CD-OE1 3.45Å; K57-E199 WeakPolarHBondContact CE-OE1 3.27Å; K57-E199 WeakPolarHBondContact CE-OE2 3.34Å; K57-E199 IonicContact NZ-OE1 2.83Å; K57-E199 PolarHBondContact NZ-OE1 3.35Å; K57-E199 IonicContact NZ-OE2 2.72Å; K57-E199 PolarHBondContact NZ-OE2 2.82Å
58	S	95.9	Very high	95.5	Very high	53 Å²	53	59 Å²	59	37%	0.371	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	149.1	-175.5	66	0	0	0	0	112.7	D195	S58-D195 CarbonylContact C-O 3.6Å; S58-D195 WeakPolarHBondContact CA-O 3.25Å
59	A	95.4	Very high	95.3	Very high	56 Å²	56	61.4 Å²	61.4	46%	0.463	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	137.1	168.4	0	0	0	0	0	108.9	N194 D195	A59-N194 WeakPolarHBondContact O-CA 3.3Å; A59-N194 PolarHBondContact O-ND2 2.86Å; A59-N194 VanDerWaalsContact O-ND2 3.09Å; A59-D195 PolarHBondContact N-O 3.1Å; A59-D195 PolarHBondContact O-N 3.33Å
60	V	96.5	Very high	95.2	Very high	17 Å²	17	60.9 Å²	60.9	10%	0.103	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	134.1	-179.7	-177.8	0	0	0	0	109.4	T62 I192 K193 N194 I322 V324	V60-T62 HydrophobicContact CG1-CG2 4.21Å; V60-I192 HydrophobicContact CG1-CG2 3.87Å; V60-K193 CarbonylContact C-O 3.58Å; V60-K193 WeakPolarHBondContact CA-O 3.49Å; V60-N194 HydrophobicContact CG2-CB 4.4Å; V60-I322 HydrophobicContact CG1-CB 4.4Å; V60-I322 HydrophobicContact CG1-CD1 3.74Å; V60-I322 HydrophobicContact CG1-CG2 4.04Å; V60-I322 HydrophobicContact CG2-CG2 4.15Å; V60-V324 HydrophobicContact CG2-CG2 3.47Å; V60-V324 VanDerWaalsContact CG2-CG2 3.47Å
61	T	94.8	Very high	94.9	Very high	81 Å²	81	63.1 Å²	63.1	50%	0.497	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138.5	166.9	59.8	0	0	0	0	109.8	K193	T61-K193 PolarHBondContact N-O 2.69Å; T61-K193 PolarHBondContact O-N 3.11Å; T61-K193 WeakPolarHBondContact OG1-CB 3.43Å
62	T	95.4	Very high	94.4	Very high	45 Å²	45	64.5 Å²	64.5	28%	0.276	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	149.8	-175	56.3	0	0	0	0	110.2	V60 L98 L190 L191 I322	V60-T62 HydrophobicContact CG1-CG2 4.21Å; T62-L98 HydrophobicContact CG2-CD2 3.87Å; T62-L190 HydrophobicContact CG2-CD1 4.31Å; T62-L191 CarbonylContact C-O 3.42Å; T62-L191 WeakPolarHBondContact CA-O 3.39Å; T62-I322 HydrophobicContact CG2-CD1 3.22Å
63	K	94.8	Very high	93.9	Very high	124 Å²	124	66.2 Å²	66.2	54%	0.539	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	114.7	170.7	-176.8	169.5	-174.4	164.1	0	109.9	L191	K63-L191 HydrophobicContact CB-CB 4.33Å; K63-L191 PolarHBondContact N-O 2.96Å; K63-L191 PolarHBondContact O-N 2.91Å
64	V	95.7	Very high	93.4	Very high	9 Å²	9	69.2 Å²	69.2	6%	0.055	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	144.8	173.8	-177.4	0	0	0	0	109.8	V85 Y88 I89 L98 T189 L190 F237	V64-V85 WeakPolarHBondContact O-CG2 3.32Å; V64-Y88 HydrophobicContact CG1-CE2 4Å; V64-I89 HydrophobicContact CB-CD1 4.1Å; V64-I89 HydrophobicContact CB-CG1 4.25Å; V64-I89 HydrophobicContact CG1-CD1 4.2Å; V64-I89 HydrophobicContact CG2-CD1 3.9Å; V64-I89 HydrophobicContact CG2-CG1 4.44Å; V64-L98 HydrophobicContact CG2-CD1 3.89Å; V64-T189 CarbonylContact C-O 3.49Å; V64-T189 WeakPolarHBondContact CA-O 3.32Å; V64-L190 HydrophobicContact CG2-CD1 3.95Å; V64-F237 HydrophobicContact CG1-CE2 4.25Å; V64-F237 HydrophobicContact CG1-CZ 4.16Å; V64-F237 HydrophobicContact CG2-CZ 4.04Å
65	K	94.9	Very high	92.8	Very high	128 Å²	128	68.9 Å²	68.9	56%	0.557	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.9	134.2	168.9	-71.1	-173.7	174.6	-173.6	0	110	T189	K65-T189 PolarHBondContact N-O 2.93Å; K65-T189 PolarHBondContact O-N 2.96Å; K65-T189 PolarHBondContact O-OG1 3.29Å
66	G	94.1	Very high	92.1	Very high	21 Å²	21	67.3 Å²	67.3	22%	0.216	37%	0.372	C	S	.	.			trans	168.6	147.5	178.6	0	0	0	0	0	108.9	Y88 Y188	G66-Y88 PolarHBondContact N-OH 3.24Å; G66-Y88 PolarHBondContact O-OH 3.41Å; G66-Y188 VanDerWaalsContact CA-CD1 3.48Å
67	V	94.9	Very high	91.3	Very high	111 Å²	111	67.1 Å²	67.1	67%	0.673	37%	0.372	S	S	*	.			trans	-125.9	142	169.1	-67.2	0	0	0	0	107.9	W83	V67-W83 WeakPolarHBondContact CA-O 3.25Å
68	G	92.4	Very high	90.8	Very high	5 Å²	5	61.6 Å²	61.6	5%	0.052	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	155.8	-177.5	0	0	0	0	0	111.1	S82 W83 Y188	G68-S82 CarbonylContact O-C 3.5Å; G68-S82 WeakPolarHBondContact O-CA 3.28Å; G68-W83 PolarHBondContact N-O 2.93Å; G68-W83 PolarHBondContact O-N 2.88Å; G68-Y188 WeakPolarHBondContact CA-OH 3.5Å; G68-Y188 PolarHBondContact N-OH 3.34Å
69	F	92.7	Very high	90.3	Very high	121 Å²	121	60 Å²	60	53%	0.531	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	129.9	174	178.9	-101.2	0	0	0	109.2	N71 M80	F69-N71 HydrophobicContact CE1-CB 3.86Å; F69-N71 HydrophobicContact CZ-CB 4.3Å; F69-M80 HydrophobicContact CE2-CG 3.69Å; F69-M80 HydrophobicContact CE2-SD 4.4Å; F69-M80 HydrophobicContact CZ-CG 3.45Å; F69-M80 VanDerWaalsContact CZ-CG 3.45Å; F69-M80 HydrophobicContact CZ-SD 3.91Å
70	T	90.8	Very high	90.1	Very high	4 Å²	4	63.6 Å²	63.6	3%	0.025	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	138.3	171.9	58.9	0	0	0	0	109.6	F72 M80 R81 W83 F182 M184	T70-F72 HydrophobicContact CG2-CD2 4.22Å; T70-F72 HydrophobicContact CG2-CE2 4.13Å; T70-M80 VanDerWaalsContact O-CA 3.31Å; T70-M80 WeakPolarHBondContact O-CA 3.32Å; T70-R81 PolarHBondContact N-O 3.45Å; T70-R81 PolarHBondContact O-N 3.07Å; T70-W83 PolarHBondContact OG1-NE1 2.8Å; T70-F182 HydrophobicContact CG2-CD1 3.8Å; T70-F182 HydrophobicContact CG2-CE1 3.7Å; T70-M184 HydrophobicContact CG2-CE 3.87Å
71	N	90	Very high	89.8	Confident	96 Å²	96	67.8 Å²	67.8	51%	0.513	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	77.1	171.9	-172	0.9	0	0	0	109.5	F69 S73	F69-N71 HydrophobicContact CE1-CB 3.86Å; F69-N71 HydrophobicContact CZ-CB 4.3Å; N71-S73 PolarHBondContact OD1-OG 2.9Å
72	F	87.4	Confident	89.7	Confident	46 Å²	46	67.6 Å²	67.6	20%	0.202	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	61	179.6	-64	-59.4	0	0	0	110.6	T70 H74 I75 I78 G79 L175 L181	T70-F72 HydrophobicContact CG2-CD2 4.22Å; T70-F72 HydrophobicContact CG2-CE2 4.13Å; F72-H74 AromaticContact CD1-CE1 3.71Å; F72-H74 PolarHBondContact O-N 3.24Å; F72-I75 HydrophobicContact CB-CB 4.29Å; F72-I75 HydrophobicContact CB-CD1 3.8Å; F72-I75 HydrophobicContact CB-CG1 4.03Å; F72-I75 HydrophobicContact CD1-CD1 4.33Å; F72-I75 HydrophobicContact CG-CD1 4.05Å; F72-I75 PolarHBondContact O-N 3.43Å; F72-I78 HydrophobicContact CB-CG2 4.27Å; F72-I78 HydrophobicContact CD2-CG2 4.26Å; F72-G79 PolarHBondContact N-O 3.24Å; F72-G79 WeakPolarHBondContact O-CA 3.32Å; F72-G79 PolarHBondContact O-N 2.98Å; F72-L175 HydrophobicContact CD1-CD2 4.24Å; F72-L175 HydrophobicContact CE1-CD1 4.18Å; F72-L175 HydrophobicContact CE1-CD2 3.95Å; F72-L175 HydrophobicContact CE2-CD1 4.18Å; F72-L175 HydrophobicContact CZ-CD1 3.74Å; F72-L175 HydrophobicContact CZ-CD2 4.33Å; F72-L181 HydrophobicContact CD2-CD2 3.76Å; F72-L181 HydrophobicContact CE2-CD2 3.78Å
73	S	84.4	Confident	89.6	Confident	93 Å²	93	66.1 Å²	66.1	65%	0.65	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-19.1	179.9	-55.7	0	0	0	0	114.5	N71 I75	N71-S73 PolarHBondContact OD1-OG 2.9Å; S73-I75 VanDerWaalsContact C-N 3.34Å
74	H	84.9	Confident	89.6	Confident	140 Å²	140	63.9 Å²	63.9	65%	0.648	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-10.8	176.1	63.2	-88.4	0	0	0	113.7	F72	F72-H74 AromaticContact CD1-CE1 3.71Å; F72-H74 PolarHBondContact O-N 3.24Å
75	I	84.8	Confident	89.5	Confident	22 Å²	22	66 Å²	66	11%	0.113	36%	0.362	C	S	.	.	S	Bend	trans	-106.2	111	-177.8	-50.5	178.2	0	0	0	108.6	F72 S73 G77 I78 G79 P174 L175	F72-I75 HydrophobicContact CB-CB 4.29Å; F72-I75 HydrophobicContact CB-CD1 3.8Å; F72-I75 HydrophobicContact CB-CG1 4.03Å; F72-I75 HydrophobicContact CD1-CD1 4.33Å; F72-I75 HydrophobicContact CG-CD1 4.05Å; F72-I75 PolarHBondContact O-N 3.43Å; S73-I75 VanDerWaalsContact C-N 3.34Å; I75-G77 PolarHBondContact O-N 3.46Å; I75-I78 HydrophobicContact CB-CB 4.39Å; I75-I78 HydrophobicContact CB-CD1 4.38Å; I75-I78 HydrophobicContact CG2-CB 4.41Å; I75-I78 HydrophobicContact CG2-CD1 3.74Å; I75-I78 HydrophobicContact CG2-CG1 4.03Å; I75-I78 PolarHBondContact O-N 2.71Å; I75-G79 PolarHBondContact O-N 3.16Å; I75-P174 HydrophobicContact CD1-CB 3.73Å; I75-P174 HydrophobicContact CG2-CB 3.89Å; I75-L175 HydrophobicContact CD1-CD2 3.81Å; I75-L175 HydrophobicContact CD1-CG 4.46Å
76	P	81.4	Confident	89.5	Confident	102 Å²	102	63.7 Å²	63.7	66%	0.662	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	136.5	176.9	-25.8	34.6	0	0	0	111.5	I78	P76-I78 VanDerWaalsContact C-N 3.26Å; P76-I78 PolarHBondContact O-N 2.84Å
77	G	80.3	Confident	89.4	Confident	14 Å²	14	65.2 Å²	65.2	14%	0.144	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	-13.1	176.9	0	0	0	0	0	117.9	I75 E108	I75-G77 PolarHBondContact O-N 3.46Å; G77-E108 WeakPolarHBondContact CA-OE1 3.17Å; G77-E108 VanDerWaalsContact CA-OE2 3.29Å; G77-E108 WeakPolarHBondContact CA-OE2 3.43Å; G77-E108 PolarHBondContact N-OE2 3.44Å; G77-E108 VanDerWaalsContact N-OE2 3.1Å
78	I	85.3	Confident	89.3	Confident	5 Å²	5	60 Å²	60	3%	0.026	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-59.3	173.4	-56.2	-175	0	0	0	109.5	F72 I75 P76 W83 L104 P174 L181	F72-I78 HydrophobicContact CB-CG2 4.27Å; F72-I78 HydrophobicContact CD2-CG2 4.26Å; I75-I78 HydrophobicContact CB-CB 4.39Å; I75-I78 HydrophobicContact CB-CD1 4.38Å; I75-I78 HydrophobicContact CG2-CB 4.41Å; I75-I78 HydrophobicContact CG2-CD1 3.74Å; I75-I78 HydrophobicContact CG2-CG1 4.03Å; I75-I78 PolarHBondContact O-N 2.71Å; P76-I78 VanDerWaalsContact C-N 3.26Å; P76-I78 PolarHBondContact O-N 2.84Å; I78-W83 HydrophobicContact CG2-CZ2 4.29Å; I78-L104 HydrophobicContact CD1-CD1 4.09Å; I78-L104 HydrophobicContact CG1-CD1 4.04Å; I78-P174 HydrophobicContact CD1-CB 4.24Å; I78-P174 HydrophobicContact CD1-CG 4.25Å; I78-L181 HydrophobicContact CD1-CD1 3.5Å; I78-L181 VanDerWaalsContact CD1-CD1 3.5Å; I78-L181 HydrophobicContact CD1-CD2 3.69Å; I78-L181 HydrophobicContact CD1-CG 4.26Å
79	G	85.1	Confident	89.4	Confident	21 Å²	21	60.3 Å²	60.3	22%	0.216	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	55.1	-155.7	176.3	0	0	0	0	0	114.8	F72 I75	F72-G79 PolarHBondContact N-O 3.24Å; F72-G79 WeakPolarHBondContact O-CA 3.32Å; F72-G79 PolarHBondContact O-N 2.98Å; I75-G79 PolarHBondContact O-N 3.16Å
80	M	90.9	Very high	89.3	Confident	131 Å²	131	55.9 Å²	55.9	65%	0.645	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	112.9	167.2	-168.8	178.3	102.4	0	0	108.9	F69 T70	F69-M80 HydrophobicContact CE2-CG 3.69Å; F69-M80 HydrophobicContact CE2-SD 4.4Å; F69-M80 HydrophobicContact CZ-CG 3.45Å; F69-M80 VanDerWaalsContact CZ-CG 3.45Å; F69-M80 HydrophobicContact CZ-SD 3.91Å; T70-M80 VanDerWaalsContact O-CA 3.31Å; T70-M80 WeakPolarHBondContact O-CA 3.32Å
81	R	90.7	Very high	89.4	Confident	104 Å²	104	58.5 Å²	58.5	39%	0.392	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	142	-174.9	-178.1	172.9	-68.5	-169.9	-1	111.9	T70 W83	T70-R81 PolarHBondContact N-O 3.45Å; T70-R81 PolarHBondContact O-N 3.07Å; R81-W83 HydrophobicContact CG-CZ2 4.37Å
82	S	93	Very high	89.4	Confident	78 Å²	78	59.8 Å²	59.8	55%	0.545	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	132.7	164.2	-177.3	0	0	0	0	108.9	G68	G68-S82 CarbonylContact O-C 3.5Å; G68-S82 WeakPolarHBondContact O-CA 3.28Å
83	W	93.7	Very high	89.5	Confident	13 Å²	13	64.2 Å²	64.2	5%	0.049	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	120.5	-180	-62.4	86.2	0	0	0	109.1	V67 G68 T70 I78 R81 D87 Y88 L104 F182 M184	V67-W83 WeakPolarHBondContact CA-O 3.25Å; G68-W83 PolarHBondContact N-O 2.93Å; G68-W83 PolarHBondContact O-N 2.88Å; T70-W83 PolarHBondContact OG1-NE1 2.8Å; I78-W83 HydrophobicContact CG2-CZ2 4.29Å; R81-W83 HydrophobicContact CG-CZ2 4.37Å; W83-D87 WeakPolarHBondContact CA-OD2 3.46Å; W83-D87 HydrophobicContact CE3-CB 3.51Å; W83-D87 HydrophobicContact CZ3-CB 4.04Å; W83-Y88 HydrophobicContact CB-CD1 4.27Å; W83-L104 HydrophobicContact CH2-CD2 3.55Å; W83-L104 HydrophobicContact CZ2-CD2 4.24Å; W83-L104 HydrophobicContact CZ3-CD2 3.81Å; W83-F182 AromaticContact CD1-CE1 3.91Å; W83-F182 AromaticContact CD2-CE1 3.77Å; W83-F182 HydrophobicContact CD2-CE1 3.77Å; W83-F182 AromaticContact CD2-CZ 3.64Å; W83-F182 HydrophobicContact CD2-CZ 3.64Å; W83-F182 AromaticContact CE2-CE1 3.62Å; W83-F182 AromaticContact CE2-CZ 3.72Å; W83-F182 HydrophobicContact CE3-CE1 4.36Å; W83-F182 AromaticContact CE3-CZ 3.76Å; W83-F182 HydrophobicContact CE3-CZ 3.76Å; W83-F182 AromaticContact CG-CE1 3.99Å; W83-F182 HydrophobicContact CG-CE1 3.99Å; W83-F182 HydrophobicContact CG-CZ 4.24Å; W83-F182 HydrophobicContact CH2-CZ 4.13Å; W83-F182 HydrophobicContact CZ2-CE1 4.15Å; W83-F182 AromaticContact CZ2-CZ 3.97Å; W83-F182 HydrophobicContact CZ2-CZ 3.97Å; W83-F182 HydrophobicContact CZ3-CZ 4.02Å; W83-F182 AromaticContact NE1-CE1 3.66Å; W83-M184 HydrophobicContact CG-CE 4.49Å
84	D	94.8	Very high	89.8	Confident	77 Å²	77	61.9 Å²	61.9	41%	0.412	36%	0.356	S	S	.	.			trans	-110.6	-179.4	174.7	81.6	15.8	0	0	0	112.1	A86 D87 Y88	D84-A86 PolarHBondContact O-N 3.36Å; D84-A86 VanDerWaalsContact O-N 3.15Å; D84-A86 WeakPolarHBondContact OD1-CA 3.35Å; D84-A86 WeakPolarHBondContact OD1-CB 3.36Å; D84-A86 PolarHBondContact OD1-N 2.94Å; D84-D87 PolarHBondContact N-OD2 3.28Å; D84-D87 PolarHBondContact O-N 2.98Å; D84-Y88 WeakPolarHBondContact O-CD1 3.47Å; D84-Y88 WeakPolarHBondContact O-CE1 3.25Å; D84-Y88 PolarHBondContact O-N 3.09Å
85	V	94.2	Very high	90.1	Very high	54 Å²	54	61.8 Å²	61.8	33%	0.327	36%	0.36	S	S	.	.	H	α-helix	trans	-55.2	-33	-176.2	-178.4	0	0	0	0	112.1	V64 D87 Y88 I89	V64-V85 WeakPolarHBondContact O-CG2 3.32Å; V85-D87 VanDerWaalsContact C-N 3.29Å; V85-D87 PolarHBondContact O-N 3.41Å; V85-Y88 WeakPolarHBondContact CG2-OH 3.4Å; V85-I89 HydrophobicContact CG1-CB 4.37Å; V85-I89 HydrophobicContact CG1-CG1 3.81Å; V85-I89 VanDerWaalsContact O-CB 3.25Å; V85-I89 WeakPolarHBondContact O-CB 3.37Å; V85-I89 WeakPolarHBondContact O-CG1 3.47Å; V85-I89 PolarHBondContact O-N 2.77Å; V85-I89 VanDerWaalsContact O-N 3.17Å
86	A	93.5	Very high	90.4	Very high	79 Å²	79	64 Å²	64	65%	0.653	37%	0.372	S	S	*	.	H	α-helix	trans	-74.9	-19.9	-179.7	0	0	0	0	0	112.8	D84	D84-A86 PolarHBondContact O-N 3.36Å; D84-A86 VanDerWaalsContact O-N 3.15Å; D84-A86 WeakPolarHBondContact OD1-CA 3.35Å; D84-A86 WeakPolarHBondContact OD1-CB 3.36Å; D84-A86 PolarHBondContact OD1-N 2.94Å
87	D	93.3	Very high	91.1	Very high	53 Å²	53	59.3 Å²	59.3	28%	0.283	34%	0.342	S	S	.	.	H	α-helix	trans	-86.4	-41.8	179.2	-57.7	-56.7	0	0	0	112.7	W83 D84 V85	W83-D87 WeakPolarHBondContact CA-OD2 3.46Å; W83-D87 HydrophobicContact CE3-CB 3.51Å; W83-D87 HydrophobicContact CZ3-CB 4.04Å; D84-D87 PolarHBondContact N-OD2 3.28Å; D84-D87 PolarHBondContact O-N 2.98Å; V85-D87 VanDerWaalsContact C-N 3.29Å; V85-D87 PolarHBondContact O-N 3.41Å
88	Y	92	Very high	91.8	Very high	1 Å²	1	58.9 Å²	58.9	0%	0.004	34%	0.336	C	S	.	.	H	α-helix	trans	-103.9	-7.7	-171.8	63.3	-108	0	0	0	114.9	V64 G66 W83 D84 V85 V100 I101 Y188	V64-Y88 HydrophobicContact CG1-CE2 4Å; G66-Y88 PolarHBondContact N-OH 3.24Å; G66-Y88 PolarHBondContact O-OH 3.41Å; W83-Y88 HydrophobicContact CB-CD1 4.27Å; D84-Y88 WeakPolarHBondContact O-CD1 3.47Å; D84-Y88 WeakPolarHBondContact O-CE1 3.25Å; D84-Y88 PolarHBondContact O-N 3.09Å; V85-Y88 WeakPolarHBondContact CG2-OH 3.4Å; Y88-V100 HydrophobicContact CD2-CG1 4.15Å; Y88-I101 WeakPolarHBondContact O-CG1 3.26Å; Y88-I101 PolarHBondContact O-N 2.87Å; Y88-Y188 AromaticContact CD1-CE2 3.93Å; Y88-Y188 HydrophobicContact CD1-CE2 3.93Å; Y88-Y188 HydrophobicContact CD2-CD2 4.4Å; Y88-Y188 AromaticContact CD2-CE2 3.92Å; Y88-Y188 HydrophobicContact CD2-CE2 3.92Å; Y88-Y188 HydrophobicContact CE1-CD2 4.41Å; Y88-Y188 AromaticContact CE1-CE2 3.48Å; Y88-Y188 HydrophobicContact CE1-CE2 3.48Å; Y88-Y188 VanDerWaalsContact CE1-CE2 3.48Å; Y88-Y188 AromaticContact CE1-CZ 3.72Å; Y88-Y188 WeakPolarHBondContact CE1-OH 3.41Å; Y88-Y188 AromaticContact CE2-CD2 3.74Å; Y88-Y188 HydrophobicContact CE2-CD2 3.74Å; Y88-Y188 AromaticContact CE2-CE2 3.49Å; Y88-Y188 HydrophobicContact CE2-CE2 3.49Å; Y88-Y188 VanDerWaalsContact CE2-CE2 3.49Å; Y88-Y188 HydrophobicContact CG-CE2 4.16Å; Y88-Y188 AromaticContact CZ-CD2 3.76Å; Y88-Y188 AromaticContact CZ-CE2 3.27Å; Y88-Y188 AromaticContact CZ-CZ 3.87Å
89	I	93.8	Very high	92.4	Very high	12 Å²	12	58.8 Å²	58.8	6%	0.062	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-104.1	110.1	173	-54.8	-60.6	0	0	0	110	V64 V85 F99 V100	V64-I89 HydrophobicContact CB-CD1 4.1Å; V64-I89 HydrophobicContact CB-CG1 4.25Å; V64-I89 HydrophobicContact CG1-CD1 4.2Å; V64-I89 HydrophobicContact CG2-CD1 3.9Å; V64-I89 HydrophobicContact CG2-CG1 4.44Å; V85-I89 HydrophobicContact CG1-CB 4.37Å; V85-I89 HydrophobicContact CG1-CG1 3.81Å; V85-I89 VanDerWaalsContact O-CB 3.25Å; V85-I89 WeakPolarHBondContact O-CB 3.37Å; V85-I89 WeakPolarHBondContact O-CG1 3.47Å; V85-I89 PolarHBondContact O-N 2.77Å; V85-I89 VanDerWaalsContact O-N 3.17Å; I89-F99 WeakPolarHBondContact CA-O 3.49Å; I89-F99 WeakPolarHBondContact CD1-O 3.33Å; I89-V100 HydrophobicContact CD1-CB 4.25Å; I89-V100 HydrophobicContact CD1-CG1 4.43Å; I89-V100 HydrophobicContact CD1-CG2 3.59Å
90	V	91.1	Very high	92.9	Very high	28 Å²	28	57.8 Å²	57.8	17%	0.17	33%	0.325	C	S	.	.	S	Bend	trans	-138.2	119.4	-176.1	-177.9	0	0	0	0	110.2	F99 I101 F296	V90-F99 WeakPolarHBondContact O-CB 3.41Å; V90-F99 VanDerWaalsContact O-CD1 3.28Å; V90-F99 WeakPolarHBondContact O-CD1 3.39Å; V90-I101 HydrophobicContact CG2-CD1 4.13Å; V90-F296 HydrophobicContact CB-CZ 3.98Å; V90-F296 HydrophobicContact CG1-CE2 3.88Å; V90-F296 HydrophobicContact CG1-CZ 3.79Å
91	P	93.4	Very high	93.1	Very high	60 Å²	60	51.5 Å²	51.5	39%	0.39	29%	0.294	S	S	.	.	S	Bend	cis	-70.8	161.2	-6.2	32.2	-35.6	0	0	0	111.9	L93 E94	P91-L93 PolarHBondContact O-N 3.4Å; P91-E94 HydrophobicContact CG-CB 4.16Å
92	P	89.8	Confident	93.3	Very high	122 Å²	122	46.6 Å²	46.6	79%	0.792	28%	0.276	S	S	*	.	S	Bend	trans	-67.5	-18.1	178.6	27.6	-35.9	0	0	0	113.6
93	L	89.7	Confident	93.3	Very high	139 Å²	139	42.9 Å²	42.9	73%	0.728	25%	0.25	S	C	*	.			trans	-135.8	120.2	175.6	-178.7	66.2	0	0	0	109.2	P91	P91-L93 PolarHBondContact O-N 3.4Å
94	E	90.4	Very high	93.3	Very high	44 Å²	44	42.5 Å²	42.5	21%	0.206	25%	0.249	C	C	.	.			trans	-135.3	135.1	171.9	-166.7	-179.2	173.9	0	0	108.1	P91 N96 A97 R319	P91-E94 HydrophobicContact CG-CB 4.16Å; E94-N96 PolarHBondContact O-N 2.83Å; E94-A97 HydrophobicContact CB-CB 4.48Å; E94-A97 WeakPolarHBondContact CB-O 3.24Å; E94-A97 VanDerWaalsContact CD-CB 3.46Å; E94-A97 HydrophobicContact CG-CB 3.88Å; E94-A97 VanDerWaalsContact O-O 3.07Å; E94-A97 WeakPolarHBondContact OE1-CB 3.35Å; E94-R319 IonicContact OE1-CZ 3.56Å; E94-R319 IonicContact OE1-NE 3.64Å; E94-R319 PolarHBondContact OE1-NE 3.33Å; E94-R319 VanDerWaalsContact OE1-NE 3.14Å; E94-R319 IonicContact OE1-NH2 3.37Å; E94-R319 PolarHBondContact OE1-NH2 3.07Å
95	N	90.4	Very high	93.2	Very high	138 Å²	138	39.1 Å²	39.1	74%	0.738	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	128.1	179.7	-72.6	-19	0	0	0	109.6	A97	N95-A97 PolarHBondContact O-N 3.35Å
96	N	92.8	Very high	93.2	Very high	69 Å²	69	38.2 Å²	38.2	37%	0.369	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	20.8	178	-58.1	-13.2	0	0	0	114.2	E94 I322	E94-N96 PolarHBondContact O-N 2.83Å; N96-I322 PolarHBondContact O-N 3.07Å
97	A	95.4	Very high	93.3	Very high	3 Å²	3	34.9 Å²	34.9	3%	0.025	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	168.2	178.9	0	0	0	0	0	110.2	E94 N95 F320	E94-A97 HydrophobicContact CB-CB 4.48Å; E94-A97 WeakPolarHBondContact CB-O 3.24Å; E94-A97 VanDerWaalsContact CD-CB 3.46Å; E94-A97 HydrophobicContact CG-CB 3.88Å; E94-A97 VanDerWaalsContact O-O 3.07Å; E94-A97 WeakPolarHBondContact OE1-CB 3.35Å; N95-A97 PolarHBondContact O-N 3.35Å; A97-F320 CarbonylContact C-O 3.58Å; A97-F320 WeakPolarHBondContact CA-O 3.04Å; A97-F320 VanDerWaalsContact CB-O 3.3Å; A97-F320 WeakPolarHBondContact CB-O 3.18Å
98	L	95.4	Very high	93.3	Very high	5 Å²	5	35.9 Å²	35.9	3%	0.026	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	154.6	166.1	66.2	106.3	0	0	0	108.6	T62 V64 V100 L190 F237 R319 F320	T62-L98 HydrophobicContact CG2-CD2 3.87Å; V64-L98 HydrophobicContact CG2-CD1 3.89Å; L98-V100 HydrophobicContact CD1-CG2 3.52Å; L98-L190 HydrophobicContact CD2-CD1 3.44Å; L98-L190 VanDerWaalsContact CD2-CD1 3.44Å; L98-L190 HydrophobicContact CD2-CD2 3.89Å; L98-L190 HydrophobicContact CD2-CG 4.32Å; L98-F237 HydrophobicContact CD1-CZ 4.31Å; L98-R319 CarbonylContact O-C 3.59Å; L98-R319 WeakPolarHBondContact O-CA 3.42Å; L98-F320 HydrophobicContact CD1-CD2 3.59Å; L98-F320 HydrophobicContact CD1-CE2 4.22Å; L98-F320 HydrophobicContact CD1-CG 4.38Å; L98-F320 HydrophobicContact CD2-CB 4.36Å; L98-F320 HydrophobicContact CG-CB 4.06Å; L98-F320 HydrophobicContact CG-CD2 4.05Å; L98-F320 HydrophobicContact CG-CG 4.43Å; L98-F320 PolarHBondContact N-O 2.99Å; L98-F320 PolarHBondContact O-N 2.91Å
99	F	96.1	Very high	93.4	Very high	3 Å²	3	41.9 Å²	41.9	1%	0.013	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	134	176.3	172.4	-97.4	0	0	0	110.5	I89 V90 I101 F294 F296 A315 G317 I318 R319	I89-F99 WeakPolarHBondContact CA-O 3.49Å; I89-F99 WeakPolarHBondContact CD1-O 3.33Å; V90-F99 WeakPolarHBondContact O-CB 3.41Å; V90-F99 VanDerWaalsContact O-CD1 3.28Å; V90-F99 WeakPolarHBondContact O-CD1 3.39Å; F99-I101 HydrophobicContact CD1-CG1 4.2Å; F99-I101 HydrophobicContact CE1-CB 4.46Å; F99-I101 HydrophobicContact CE1-CD1 4.45Å; F99-I101 HydrophobicContact CE1-CG1 3.47Å; F99-I101 VanDerWaalsContact CE1-CG1 3.47Å; F99-I101 HydrophobicContact CZ-CG1 4.26Å; F99-F294 AromaticContact CD2-CD1 3.96Å; F99-F294 HydrophobicContact CD2-CD1 3.96Å; F99-F294 AromaticContact CD2-CE1 3.72Å; F99-F294 HydrophobicContact CD2-CE1 3.72Å; F99-F294 AromaticContact CE2-CD1 3.55Å; F99-F294 HydrophobicContact CE2-CD1 3.55Å; F99-F294 AromaticContact CE2-CE1 3.67Å; F99-F294 HydrophobicContact CE2-CE1 3.67Å; F99-F296 AromaticContact CD1-CE1 3.41Å; F99-F296 HydrophobicContact CD1-CE1 3.41Å; F99-F296 VanDerWaalsContact CD1-CE1 3.41Å; F99-F296 AromaticContact CD1-CZ 3.77Å; F99-F296 HydrophobicContact CD1-CZ 3.77Å; F99-F296 HydrophobicContact CD2-CE1 4.16Å; F99-F296 HydrophobicContact CE1-CD1 4.16Å; F99-F296 AromaticContact CE1-CE1 3.13Å; F99-F296 HydrophobicContact CE1-CE1 3.13Å; F99-F296 AromaticContact CE1-CZ 3.59Å; F99-F296 HydrophobicContact CE1-CZ 3.59Å; F99-F296 HydrophobicContact CE2-CD1 4.43Å; F99-F296 AromaticContact CE2-CE1 3.97Å; F99-F296 HydrophobicContact CE2-CE1 3.97Å; F99-F296 AromaticContact CG-CE1 3.89Å; F99-F296 HydrophobicContact CG-CE1 3.89Å; F99-F296 HydrophobicContact CZ-CD1 4.05Å; F99-F296 AromaticContact CZ-CE1 3.44Å; F99-F296 HydrophobicContact CZ-CE1 3.44Å; F99-F296 VanDerWaalsContact CZ-CE1 3.44Å; F99-F296 HydrophobicContact CZ-CZ 4.3Å; F99-A315 HydrophobicContact CE1-CB 4.21Å; F99-A315 HydrophobicContact CZ-CB 4.34Å; F99-G317 VanDerWaalsContact CE2-C 3.41Å; F99-I318 WeakPolarHBondContact CA-O 3.46Å; F99-R319 HydrophobicContact CD2-CB 4.2Å
100	V	96	Very high	93.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	118.5	178.8	-176.4	0	0	0	0	108.9	Y88 I89 L98 T102 V185 F237 G317 I318 F320	Y88-V100 HydrophobicContact CD2-CG1 4.15Å; I89-V100 HydrophobicContact CD1-CB 4.25Å; I89-V100 HydrophobicContact CD1-CG1 4.43Å; I89-V100 HydrophobicContact CD1-CG2 3.59Å; L98-V100 HydrophobicContact CD1-CG2 3.52Å; V100-T102 PolarHBondContact O-N 3.47Å; V100-V185 HydrophobicContact CG1-CG1 3.78Å; V100-V185 HydrophobicContact CG1-CG2 4.03Å; V100-F237 HydrophobicContact CB-CE2 4.35Å; V100-F237 HydrophobicContact CG1-CE2 4.09Å; V100-F237 HydrophobicContact CG2-CE2 3.53Å; V100-F237 HydrophobicContact CG2-CZ 3.63Å; V100-G317 CarbonylContact O-C 3.5Å; V100-G317 WeakPolarHBondContact O-CA 3.34Å; V100-I318 PolarHBondContact N-O 3.48Å; V100-I318 PolarHBondContact O-N 2.86Å; V100-F320 HydrophobicContact CB-CE2 4.31Å; V100-F320 HydrophobicContact CG2-CD2 4.18Å; V100-F320 HydrophobicContact CG2-CE2 3.7Å
101	I	95.6	Very high	93.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	134.3	173.1	-57.9	177.5	0	0	0	108.8	Y88 V90 F99 N103 L104 F182 Y298 A315	Y88-I101 WeakPolarHBondContact O-CG1 3.26Å; Y88-I101 PolarHBondContact O-N 2.87Å; V90-I101 HydrophobicContact CG2-CD1 4.13Å; F99-I101 HydrophobicContact CD1-CG1 4.2Å; F99-I101 HydrophobicContact CE1-CB 4.46Å; F99-I101 HydrophobicContact CE1-CD1 4.45Å; F99-I101 HydrophobicContact CE1-CG1 3.47Å; F99-I101 VanDerWaalsContact CE1-CG1 3.47Å; F99-I101 HydrophobicContact CZ-CG1 4.26Å; I101-N103 WeakPolarHBondContact CG2-O 3.46Å; I101-L104 HydrophobicContact CG2-CB 4.14Å; I101-L104 HydrophobicContact CG2-CD2 4.42Å; I101-F182 HydrophobicContact CB-CD2 4.42Å; I101-F182 HydrophobicContact CB-CE2 4.14Å; I101-F182 HydrophobicContact CG2-CD2 4.01Å; I101-F182 HydrophobicContact CG2-CE2 3.57Å; I101-F182 WeakPolarHBondContact O-CD2 3.31Å; I101-Y298 HydrophobicContact CD1-CE1 4.47Å; I101-A315 HydrophobicContact CD1-CB 3.89Å; I101-A315 HydrophobicContact CG1-CB 3.99Å; I101-A315 HydrophobicContact CG2-CB 4.42Å
102	T	94.7	Very high	93.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	-26.7	174.7	54.7	0	0	0	0	111.9	V100 L181 F182 V185 F251 Y316 G317 I318	V100-T102 PolarHBondContact O-N 3.47Å; T102-L181 PolarHBondContact O-N 3.49Å; T102-F182 WeakPolarHBondContact O-CB 3.03Å; T102-F182 PolarHBondContact O-N 3.48Å; T102-F182 VanDerWaalsContact O-N 3.11Å; T102-V185 HydrophobicContact CG2-CG1 4.26Å; T102-V185 HydrophobicContact CG2-CG2 4.47Å; T102-F251 WeakPolarHBondContact CB-O 3.37Å; T102-F251 HydrophobicContact CG2-CD1 3.87Å; T102-F251 PolarHBondContact OG1-O 3.32Å; T102-Y316 PolarHBondContact N-O 3.37Å; T102-Y316 PolarHBondContact OG1-O 3.4Å; T102-G317 WeakPolarHBondContact OG1-CA 3.36Å; T102-I318 HydrophobicContact CG2-CD1 3.94Å; T102-I318 HydrophobicContact CG2-CG1 3.92Å
103	N	93.6	Very high	94.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	150.6	177.3	-163.2	7.6	0	0	0	109.3	I101 L181 Y316	I101-N103 WeakPolarHBondContact CG2-O 3.46Å; N103-L181 WeakPolarHBondContact OD1-CD1 3.5Å; N103-L181 WeakPolarHBondContact OD1-CG 3.36Å; N103-Y316 PolarHBondContact N-O 2.95Å; N103-Y316 WeakPolarHBondContact O-CA 3.42Å; N103-Y316 PolarHBondContact O-N 3.23Å
104	L	93.2	Very high	94.4	Very high	5 Å²	5	38 Å²	38	3%	0.026	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	149.4	-176.7	71.5	86	0	0	0	111	I78 W83 I101 K106 P174 L181 F182 I313 K314	I78-L104 HydrophobicContact CD1-CD1 4.09Å; I78-L104 HydrophobicContact CG1-CD1 4.04Å; W83-L104 HydrophobicContact CH2-CD2 3.55Å; W83-L104 HydrophobicContact CZ2-CD2 4.24Å; W83-L104 HydrophobicContact CZ3-CD2 3.81Å; I101-L104 HydrophobicContact CG2-CB 4.14Å; I101-L104 HydrophobicContact CG2-CD2 4.42Å; L104-K106 HydrophobicContact CD1-CB 4.26Å; L104-P174 WeakPolarHBondContact O-CG 3.41Å; L104-L181 HydrophobicContact CB-CD1 4.43Å; L104-L181 HydrophobicContact CD1-CD1 4.37Å; L104-L181 HydrophobicContact CG-CD1 3.71Å; L104-L181 WeakPolarHBondContact O-CD1 3.4Å; L104-F182 HydrophobicContact CD2-CE2 3.78Å; L104-F182 HydrophobicContact CD2-CZ 3.48Å; L104-F182 VanDerWaalsContact CD2-CZ 3.48Å; L104-F182 HydrophobicContact CG-CZ 4.39Å; L104-I313 HydrophobicContact CB-CG2 4.43Å; L104-K314 CarbonylContact C-O 3.55Å; L104-K314 VanDerWaalsContact CA-O 3.31Å; L104-K314 WeakPolarHBondContact CA-O 3.41Å
105	V	93.6	Very high	94.6	Very high	7 Å²	7	37 Å²	37	4%	0.042	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	124.2	170.1	-166.1	0	0	0	0	107.7	N170 L173 I313 K314 Y316	V105-N170 HydrophobicContact CG1-CB 4.22Å; V105-N170 WeakPolarHBondContact CG1-O 3.48Å; V105-L173 HydrophobicContact CG2-CD2 4.43Å; V105-I313 WeakPolarHBondContact O-CA 3.38Å; V105-K314 HydrophobicContact CB-CB 4.37Å; V105-K314 PolarHBondContact N-O 2.91Å; V105-K314 PolarHBondContact O-N 2.92Å; V105-Y316 HydrophobicContact CG2-CE2 4.11Å
106	K	93.7	Very high	94.8	Very high	34 Å²	34	33.4 Å²	33.4	15%	0.148	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	126.9	179.8	-167	-178.8	-177.6	-152.1	0	109.6	L104 E108 D311 L312 I313	L104-K106 HydrophobicContact CD1-CB 4.26Å; K106-E108 HydrophobicContact CD-CG 3.79Å; K106-E108 HydrophobicContact CG-CG 3.92Å; K106-E108 IonicContact NZ-OE1 3.54Å; K106-E108 PolarHBondContact NZ-OE1 3.22Å; K106-D311 VanDerWaalsContact CE-CG 3.5Å; K106-D311 WeakPolarHBondContact CE-OD2 3.45Å; K106-D311 IonicContact NZ-OD2 2.71Å; K106-D311 PolarHBondContact NZ-OD2 3.4Å; K106-L312 WeakPolarHBondContact CA-O 3.15Å; K106-I313 HydrophobicContact CG-CG1 4.17Å
107	T	94.9	Very high	94.8	Very high	10 Å²	10	30.3 Å²	30.3	6%	0.061	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	103.3	169.1	-52.8	0	0	0	0	107.7	Q110 P167 N170 L312	T107-Q110 HydrophobicContact CG2-CG 3.96Å; T107-P167 HydrophobicContact CG2-CG 4.33Å; T107-N170 PolarHBondContact OG1-N 3.05Å; T107-L312 PolarHBondContact N-O 2.99Å; T107-L312 PolarHBondContact O-N 3.13Å
108	E	93.6	Very high	94.7	Very high	74 Å²	74	31.8 Å²	31.8	35%	0.346	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	154.2	-173.2	-58	-168.1	112.4	0	0	112.6	G77 K106 Q110 D311	G77-E108 WeakPolarHBondContact CA-OE1 3.17Å; G77-E108 VanDerWaalsContact CA-OE2 3.29Å; G77-E108 WeakPolarHBondContact CA-OE2 3.43Å; G77-E108 PolarHBondContact N-OE2 3.44Å; G77-E108 VanDerWaalsContact N-OE2 3.1Å; K106-E108 HydrophobicContact CD-CG 3.79Å; K106-E108 HydrophobicContact CG-CG 3.92Å; K106-E108 IonicContact NZ-OE1 3.54Å; K106-E108 PolarHBondContact NZ-OE1 3.22Å; E108-Q110 VanDerWaalsContact C-N 3.32Å; E108-Q110 PolarHBondContact O-N 2.99Å; E108-D311 VanDerWaalsContact CA-OD1 3.25Å; E108-D311 WeakPolarHBondContact CA-OD1 3.39Å
109	R	94.1	Very high	94.3	Very high	126 Å²	126	36.3 Å²	36.3	48%	0.475	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	54.7	40.7	168.7	-51	-173.7	64.2	108.9	10.5	114.4	S111 Y302 E304 Y309 D311	R109-S111 PolarHBondContact O-N 3.25Å; R109-Y302 WeakPolarHBondContact CA-OH 3.25Å; R109-Y302 WeakPolarHBondContact CG-OH 3.49Å; R109-E304 IonicContact CZ-OE2 2.75Å; R109-E304 IonicContact NH1-OE1 3.14Å; R109-E304 IonicContact NH1-OE2 3.93Å; R109-E304 IonicContact NH2-OE2 3.59Å; R109-E304 PolarHBondContact NH2-OE2 3.12Å; R109-Y309 HydrophobicContact CB-CD1 4.34Å; R109-D311 PolarHBondContact N-OD1 3.48Å
110	Q	96	Very high	93.9	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.009	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	132.8	170.1	-63.8	-169.2	-41.3	0	0	110.1	T107 E108 W165 C166 P167 Y309 R310	T107-Q110 HydrophobicContact CG2-CG 3.96Å; E108-Q110 VanDerWaalsContact C-N 3.32Å; E108-Q110 PolarHBondContact O-N 2.99Å; Q110-W165 HydrophobicContact CB-CB 4.11Å; Q110-W165 HydrophobicContact CB-CE3 4Å; Q110-W165 WeakPolarHBondContact O-CZ3 3.34Å; Q110-C166 CarbonylContact C-O 3.6Å; Q110-C166 VanDerWaalsContact CA-O 3.27Å; Q110-C166 WeakPolarHBondContact CA-O 3.32Å; Q110-P167 WeakPolarHBondContact CG-O 3.23Å; Q110-P167 PolarHBondContact NE2-O 2.99Å; Q110-Y309 CarbonylContact O-C 3.47Å; Q110-Y309 WeakPolarHBondContact O-CA 3.39Å; Q110-R310 HydrophobicContact CB-CG 3.87Å; Q110-R310 WeakPolarHBondContact CB-O 3.27Å; Q110-R310 PolarHBondContact N-O 3.45Å; Q110-R310 PolarHBondContact O-N 2.9Å; Q110-R310 VanDerWaalsContact OE1-CZ 3.27Å
111	S	96.5	Very high	93.7	Very high	24 Å²	24	47.6 Å²	47.6	17%	0.168	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	150	171	57.4	0	0	0	0	110.7	R109 S113 C166	R109-S111 PolarHBondContact O-N 3.25Å; S111-S113 PolarHBondContact O-N 2.66Å; S111-S113 PolarHBondContact O-OG 3.5Å; S111-S113 VanDerWaalsContact O-OG 3.11Å; S111-C166 PolarHBondContact N-O 3.43Å; S111-C166 PolarHBondContact O-N 3.04Å
112	L	95.5	Very high	93.3	Very high	86 Å²	86	52.4 Å²	52.4	45%	0.45	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	107.8	172.4	-71.3	175.9	0	0	0	109.9	S164 W165	L112-S164 WeakPolarHBondContact CA-O 3.33Å; L112-W165 HydrophobicContact CD1-CZ2 4.35Å; L112-W165 HydrophobicContact CD2-CD2 3.86Å; L112-W165 HydrophobicContact CD2-CE3 4.43Å; L112-W165 HydrophobicContact CD2-CG 4.08Å; L112-W165 HydrophobicContact CD2-CZ2 4.16Å; L112-W165 HydrophobicContact CG-CD2 4.18Å; L112-W165 HydrophobicContact CG-CE3 4.3Å; L112-W165 HydrophobicContact CG-CH2 4.15Å; L112-W165 HydrophobicContact CG-CZ2 4.01Å; L112-W165 HydrophobicContact CG-CZ3 4.29Å
113	S	95.2	Very high	93	Very high	39 Å²	39	56.8 Å²	56.8	27%	0.273	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	-172.3	-176.1	57.4	0	0	0	0	110.1	S111 Y163 S164 C166	S111-S113 PolarHBondContact O-N 2.66Å; S111-S113 PolarHBondContact O-OG 3.5Å; S111-S113 VanDerWaalsContact O-OG 3.11Å; S113-Y163 WeakPolarHBondContact O-CA 3.46Å; S113-S164 PolarHBondContact N-O 3.35Å; S113-S164 PolarHBondContact O-N 3.21Å; S113-S164 VanDerWaalsContact O-O 3.06Å; S113-C166 PolarHBondContact O-SG 2.93Å; S113-C166 VanDerWaalsContact O-SG 3.38Å; S113-C166 WeakPolarHBondContact OG-CB 3.19Å
114	K	95.6	Very high	92.8	Very high	128 Å²	128	56.8 Å²	56.8	56%	0.557	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.8	129.6	-178.9	-60.1	177	-175.7	-179.2	0	109.9	T146 E161 I162 Y163	K114-T146 HydrophobicContact CD-CG2 4.24Å; K114-T146 HydrophobicContact CG-CG2 4.19Å; K114-E161 HydrophobicContact CB-CG 3.95Å; K114-I162 VanDerWaalsContact CA-O 3.28Å; K114-I162 WeakPolarHBondContact CA-O 3.49Å; K114-Y163 HydrophobicContact CG-CD2 4.08Å
115	C	95	Very high	92.9	Very high	23 Å²	23	59.7 Å²	59.7	16%	0.155	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	165.9	174.7	53.7	0	0	0	0	111.8	E161 I162 C166	C115-E161 WeakPolarHBondContact O-CA 3.34Å; C115-I162 PolarHBondContact N-O 2.92Å; C115-I162 VanDerWaalsContact O-CG1 3.27Å; C115-I162 WeakPolarHBondContact O-CG1 3.39Å; C115-I162 PolarHBondContact O-N 3.39Å; C115-C166 HydrophobicContact CB-CB 3.57Å; C115-C166 WeakPolarHBondContact CB-SG 3.32Å; C115-C166 PolarHBondContact N-SG 2.97Å; C115-C166 VanDerWaalsContact N-SG 3.42Å; C115-C166 WeakPolarHBondContact SG-CB 3.33Å; C115-C166 CovalentContact SG-SG 2.03Å; C115-C166 PolarHBondContact SG-SG 3.32Å
116	Q	94	Very high	92.9	Very high	63 Å²	63	59.4 Å²	59.4	29%	0.294	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	133.5	177	-174.4	-180	-12.5	0	0	110.5	I150 L168	Q116-I150 HydrophobicContact CB-CD1 4.21Å; Q116-I150 HydrophobicContact CG-CB 4.47Å; Q116-L168 VanDerWaalsContact O-CD1 3.24Å; Q116-L168 WeakPolarHBondContact O-CD1 3.08Å
117	E	94.3	Very high	92.9	Very high	4 Å²	4	64.9 Å²	64.9	2%	0.019	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-67.9	151.2	175.3	-176.3	58.6	-77.1	0	0	111.3	S119 V121 A124 N142 S159 C160 I162	E117-S119 PolarHBondContact O-N 2.89Å; E117-V121 HydrophobicContact CG-CB 4.29Å; E117-V121 HydrophobicContact CG-CG2 4.28Å; E117-A124 HydrophobicContact CB-CB 3.92Å; E117-A124 HydrophobicContact CG-CB 3.51Å; E117-N142 WeakPolarHBondContact OE1-CB 3.4Å; E117-N142 PolarHBondContact OE1-ND2 2.86Å; E117-N142 PolarHBondContact OE2-N 3.35Å; E117-S159 PolarHBondContact O-OG 3.05Å; E117-C160 WeakPolarHBondContact CB-O 3.08Å; E117-C160 PolarHBondContact N-O 3.45Å; E117-I162 HydrophobicContact CB-CD1 4.28Å; E117-I162 HydrophobicContact CB-CG1 4.22Å; E117-I162 HydrophobicContact CB-CG2 3.89Å; E117-I162 HydrophobicContact CG-CG2 4.34Å; E117-I162 WeakPolarHBondContact OE2-CD1 3.24Å
118	S	92.3	Very high	92.8	Very high	35 Å²	35	70.2 Å²	70.2	25%	0.245	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-61.1	131.7	177	177.9	0	0	0	0	111.4	W120 V121 A124	S118-W120 PolarHBondContact O-N 3.24Å; S118-W120 VanDerWaalsContact OG-CD1 3.29Å; S118-W120 PolarHBondContact OG-N 3.36Å; S118-V121 PolarHBondContact O-N 2.89Å; S118-V121 VanDerWaalsContact O-N 3.12Å; S118-A124 WeakPolarHBondContact O-CB 3.49Å
119	S	88.2	Confident	92.8	Very high	100 Å²	100	70.8 Å²	70.8	70%	0.699	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-13.2	178	57	0	0	0	0	113.9	E117 V121	E117-S119 PolarHBondContact O-N 2.89Å; S119-V121 VanDerWaalsContact C-N 3.29Å
120	W	86.9	Confident	92.7	Very high	229 Å²	229	68.4 Å²	68.4	87%	0.867	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-12.6	178	-57	111.4	0	0	0	113.2	S118	S118-W120 PolarHBondContact O-N 3.24Å; S118-W120 VanDerWaalsContact OG-CD1 3.29Å; S118-W120 PolarHBondContact OG-N 3.36Å
121	V	91.4	Very high	92.6	Very high	11 Å²	11	71.4 Å²	71.4	7%	0.067	38%	0.375	C	S	.	.	S	Bend	trans	-84.5	123.6	179.6	-179.3	0	0	0	0	108.8	E117 S118 S119 E123 A124 L140	E117-V121 HydrophobicContact CG-CB 4.29Å; E117-V121 HydrophobicContact CG-CG2 4.28Å; S118-V121 PolarHBondContact O-N 2.89Å; S118-V121 VanDerWaalsContact O-N 3.12Å; S119-V121 VanDerWaalsContact C-N 3.29Å; V121-E123 PolarHBondContact O-N 3.25Å; V121-A124 HydrophobicContact CB-CB 3.97Å; V121-A124 WeakPolarHBondContact O-CB 3.46Å; V121-A124 PolarHBondContact O-N 3.27Å; V121-L140 WeakPolarHBondContact CG2-O 3.23Å
122	P	88.1	Confident	92.4	Very high	100 Å²	100	70.3 Å²	70.3	65%	0.649	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-24.6	-172.1	-29.2	35.5	0	0	0	116	L140	P122-L140 HydrophobicContact CG-CD1 4.46Å
123	E	87.1	Confident	92.4	Very high	93 Å²	93	73.1 Å²	73.1	44%	0.435	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	10.7	-175.4	-63.4	168.9	143.5	0	0	113.1	V121 F136 S138	V121-E123 PolarHBondContact O-N 3.25Å; E123-F136 HydrophobicContact CB-CE1 4.16Å; E123-F136 WeakPolarHBondContact OE2-CE1 3.49Å; E123-F136 WeakPolarHBondContact OE2-CZ 3.41Å; E123-S138 VanDerWaalsContact OE2-CB 3.26Å; E123-S138 WeakPolarHBondContact OE2-CB 3.2Å; E123-S138 PolarHBondContact OE2-OG 3.48Å
124	A	91	Very high	92.3	Very high	0 Å²	0	75 Å²	75	0%	0	39%	0.388	C	S	.	.			trans	-83.6	-29.1	-179	0	0	0	0	0	113.4	E117 S118 V121 S159 C160	E117-A124 HydrophobicContact CB-CB 3.92Å; E117-A124 HydrophobicContact CG-CB 3.51Å; S118-A124 WeakPolarHBondContact O-CB 3.49Å; V121-A124 HydrophobicContact CB-CB 3.97Å; V121-A124 WeakPolarHBondContact O-CB 3.46Å; V121-A124 PolarHBondContact O-N 3.27Å; A124-S159 CarbonylContact O-C 3.53Å; A124-S159 WeakPolarHBondContact O-CA 3.31Å; A124-S159 PolarHBondContact O-OG 3.48Å; A124-C160 PolarHBondContact O-N 3.25Å
125	A	93.3	Very high	92.2	Very high	66 Å²	66	78.6 Å²	78.6	55%	0.545	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	132.9	-176.3	0	0	0	0	0	111.5	I157	A125-I157 HydrophobicContact CB-CG2 4.1Å
126	C	93.8	Very high	92.1	Very high	0 Å²	0	80.6 Å²	80.6	0%	0	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	150.3	-179	61.2	0	0	0	0	111.4	D131 C132 C149 G158 S159 C160	C126-D131 HydrophobicContact CB-CB 3.93Å; C126-C132 VanDerWaalsContact CB-SG 3.53Å; C126-C132 VanDerWaalsContact SG-SG 3.66Å; C126-C149 HydrophobicContact CB-CB 3.81Å; C126-C149 WeakPolarHBondContact CB-SG 3.31Å; C126-C149 PolarHBondContact O-SG 3.44Å; C126-C149 VanDerWaalsContact O-SG 3.33Å; C126-C149 WeakPolarHBondContact SG-CA 3.36Å; C126-C149 WeakPolarHBondContact SG-CB 3.48Å; C126-C149 CovalentContact SG-SG 2.03Å; C126-C149 PolarHBondContact SG-SG 3.3Å; C126-G158 PolarHBondContact N-O 3.39Å; C126-G158 VanDerWaalsContact N-O 3.14Å; C126-G158 WeakPolarHBondContact O-CA 3.48Å; C126-G158 PolarHBondContact O-N 3.43Å; C126-S159 VanDerWaalsContact SG-CA 3.59Å; C126-C160 PolarHBondContact SG-N 3.36Å
127	Y	93.4	Very high	92	Very high	149 Å²	149	83.3 Å²	83.3	58%	0.584	42%	0.42	S	S	*	.	S	Bend	trans	-108.4	-23.1	172.3	-63.1	-89.9	0	0	0	111.7	D131 I151 D156 I157	Y127-D131 PolarHBondContact N-OD2 2.96Å; Y127-I151 WeakPolarHBondContact O-CD1 3.21Å; Y127-D156 WeakPolarHBondContact CD1-O 3.37Å; Y127-I157 HydrophobicContact CD1-CG1 4.35Å; Y127-I157 HydrophobicContact CE1-CD1 4.28Å; Y127-I157 HydrophobicContact CE1-CG1 3.55Å
128	K	93.3	Very high	91.8	Very high	123 Å²	123	83.3 Å²	83.3	54%	0.535	42%	0.421	S	S	.	.	S	Bend	trans	-151.3	160.7	-180	51.7	177.2	175.9	168.1	0	110.3	S130 D131	K128-S130 WeakPolarHBondContact CD-OG 3.3Å; K128-S130 WeakPolarHBondContact CE-OG 3.2Å; K128-S130 WeakPolarHBondContact CG-OG 3.34Å; K128-S130 PolarHBondContact O-N 3Å; K128-S130 VanDerWaalsContact O-N 3.11Å; K128-D131 VanDerWaalsContact CE-OD1 3.23Å; K128-D131 WeakPolarHBondContact CE-OD1 3.42Å; K128-D131 WeakPolarHBondContact CG-OD1 3.23Å; K128-D131 WeakPolarHBondContact CG-OD2 3.38Å; K128-D131 PolarHBondContact N-OD2 3Å; K128-D131 VanDerWaalsContact N-OD2 3.08Å; K128-D131 WeakPolarHBondContact O-CB 3.32Å; K128-D131 PolarHBondContact O-N 3.27Å
129	D	94.1	Very high	91.7	Very high	85 Å²	85	89.6 Å²	89.6	46%	0.455	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-54.2	-34.1	-178.8	-73.1	0.1	0	0	0	113.3	D131 C132 G147 C149	D129-D131 PolarHBondContact O-N 3.3Å; D129-C132 PolarHBondContact O-N 3.29Å; D129-C132 VanDerWaalsContact O-N 3.07Å; D129-G147 WeakPolarHBondContact CB-O 3.41Å; D129-C149 PolarHBondContact OD1-N 3.36Å
130	S	92.6	Very high	91.8	Very high	77 Å²	77	89.8 Å²	89.8	54%	0.538	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-64.9	-20.1	179.3	64.4	0	0	0	0	114.5	K128 C132	K128-S130 WeakPolarHBondContact CD-OG 3.3Å; K128-S130 WeakPolarHBondContact CE-OG 3.2Å; K128-S130 WeakPolarHBondContact CG-OG 3.34Å; K128-S130 PolarHBondContact O-N 3Å; K128-S130 VanDerWaalsContact O-N 3.11Å; S130-C132 VanDerWaalsContact C-N 3.25Å
131	D	93	Very high	91.9	Very high	64 Å²	64	79.9 Å²	79.9	34%	0.342	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-73.7	-25.8	178.1	-54.1	-21.9	0	0	0	110.3	C126 Y127 K128 D129 K133	C126-D131 HydrophobicContact CB-CB 3.93Å; Y127-D131 PolarHBondContact N-OD2 2.96Å; K128-D131 VanDerWaalsContact CE-OD1 3.23Å; K128-D131 WeakPolarHBondContact CE-OD1 3.42Å; K128-D131 WeakPolarHBondContact CG-OD1 3.23Å; K128-D131 WeakPolarHBondContact CG-OD2 3.38Å; K128-D131 PolarHBondContact N-OD2 3Å; K128-D131 VanDerWaalsContact N-OD2 3.08Å; K128-D131 WeakPolarHBondContact O-CB 3.32Å; K128-D131 PolarHBondContact O-N 3.27Å; D129-D131 PolarHBondContact O-N 3.3Å; D131-K133 PolarHBondContact O-N 3.31Å
132	C	93.6	Very high	92.1	Very high	2 Å²	2	82.6 Å²	82.6	1%	0.014	42%	0.422	C	S	.	.	S	Bend	trans	-91.5	95.8	177.4	-56.5	0	0	0	0	110.1	C126 D129 S130 P134 G147 C160	C126-C132 VanDerWaalsContact CB-SG 3.53Å; C126-C132 VanDerWaalsContact SG-SG 3.66Å; D129-C132 PolarHBondContact O-N 3.29Å; D129-C132 VanDerWaalsContact O-N 3.07Å; S130-C132 VanDerWaalsContact C-N 3.25Å; C132-P134 WeakPolarHBondContact O-CD 3.37Å; C132-G147 VanDerWaalsContact O-CA 3.31Å; C132-G147 WeakPolarHBondContact O-CA 3.43Å; C132-C160 VanDerWaalsContact CA-SG 3.5Å; C132-C160 HydrophobicContact CB-CB 3.84Å; C132-C160 WeakPolarHBondContact CB-SG 3.37Å; C132-C160 WeakPolarHBondContact SG-CA 3.37Å; C132-C160 WeakPolarHBondContact SG-CB 3.16Å; C132-C160 CovalentContact SG-SG 2.04Å; C132-C160 PolarHBondContact SG-SG 2.91Å
133	K	94	Very high	92.3	Very high	144 Å²	144	78.4 Å²	78.4	63%	0.626	40%	0.397	S	S	*	.			trans	-65.3	123.2	176.1	-67.8	178.2	-174.8	173	0	110.8	D131 F136 H145	D131-K133 PolarHBondContact O-N 3.31Å; K133-F136 HydrophobicContact CB-CB 3.88Å; K133-F136 WeakPolarHBondContact O-CB 3.2Å; K133-F136 PolarHBondContact O-N 3.34Å; K133-H145 WeakPolarHBondContact O-CB 3.35Å
134	P	93.6	Very high	92.7	Very high	79 Å²	79	75.3 Å²	75.3	51%	0.513	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	140.7	177.7	-23.2	32.3	0	0	0	112	C132 F136	C132-P134 WeakPolarHBondContact O-CD 3.37Å; P134-F136 PolarHBondContact O-N 3.1Å; P134-F136 VanDerWaalsContact O-N 3.11Å
135	Y	93	Very high	92.9	Very high	203 Å²	203	75.6 Å²	75.6	80%	0.796	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	9.9	-179.2	-45.6	-73	0	0	0	115.4	H145	Y135-H145 PolarHBondContact N-O 3.43Å
136	F	93.2	Very high	93	Very high	66 Å²	66	74.4 Å²	74.4	29%	0.289	38%	0.375	S	S	.	.			trans	-68.8	135.8	171.8	-178.7	-102.4	0	0	0	110.3	E123 K133 P134 A144 H145	E123-F136 HydrophobicContact CB-CE1 4.16Å; E123-F136 WeakPolarHBondContact OE2-CE1 3.49Å; E123-F136 WeakPolarHBondContact OE2-CZ 3.41Å; K133-F136 HydrophobicContact CB-CB 3.88Å; K133-F136 WeakPolarHBondContact O-CB 3.2Å; K133-F136 PolarHBondContact O-N 3.34Å; P134-F136 PolarHBondContact O-N 3.1Å; P134-F136 VanDerWaalsContact O-N 3.11Å; F136-A144 WeakPolarHBondContact O-CA 3.49Å; F136-H145 HydrophobicContact CB-CB 4.32Å; F136-H145 AromaticContact CD1-CE1 3.84Å; F136-H145 PolarHBondContact O-N 3.28Å
137	I	91.9	Very high	93	Very high	119 Å²	119	75.1 Å²	75.1	61%	0.61	38%	0.382	S	S	*	.	B	Isolated β-bridge	trans	-124.7	117.7	178.3	-60.8	171.2	0	0	0	107	A144	I137-A144 HydrophobicContact CD1-CB 4.38Å; I137-A144 HydrophobicContact CG1-CB 3.89Å
138	S	90.5	Very high	93.1	Very high	5 Å²	5	73.5 Å²	73.5	4%	0.035	38%	0.378	C	S	.	.			trans	-84.4	143.8	172.5	-164.8	0	0	0	0	110.3	E123 L140 G141	E123-S138 VanDerWaalsContact OE2-CB 3.26Å; E123-S138 WeakPolarHBondContact OE2-CB 3.2Å; E123-S138 PolarHBondContact OE2-OG 3.48Å; S138-L140 PolarHBondContact O-N 2.94Å; S138-G141 PolarHBondContact O-N 3.4Å
139	H	89.5	Confident	93.2	Very high	167 Å²	167	68.5 Å²	68.5	77%	0.773	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-26.5	177.5	67.8	-67.2	0	0	0	113.9
140	L	90.4	Very high	93.2	Very high	104 Å²	104	67 Å²	67	55%	0.545	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-0.6	173	-64.8	169.4	0	0	0	112.4	V121 P122 S138	V121-L140 WeakPolarHBondContact CG2-O 3.23Å; P122-L140 HydrophobicContact CG-CD1 4.46Å; S138-L140 PolarHBondContact O-N 2.94Å
141	G	90.2	Very high	93.2	Very high	21 Å²	21	67 Å²	67	22%	0.216	34%	0.343	C	S	.	.			trans	-76.9	159.2	-177.4	0	0	0	0	0	112.6	S138	S138-G141 PolarHBondContact O-N 3.4Å
142	N	93.9	Very high	93	Very high	67 Å²	67	69.6 Å²	69.6	36%	0.358	35%	0.351	S	S	.	.	S	Bend	trans	-94.3	-12.4	179.7	-64.4	-75.9	0	0	0	112.6	E117 I162 S164 L168	E117-N142 WeakPolarHBondContact OE1-CB 3.4Å; E117-N142 PolarHBondContact OE1-ND2 2.86Å; E117-N142 PolarHBondContact OE2-N 3.35Å; N142-I162 HydrophobicContact CB-CD1 3.88Å; N142-S164 WeakPolarHBondContact O-CB 3.06Å; N142-S164 PolarHBondContact O-OG 3.03Å; N142-L168 HydrophobicContact CB-CD1 4.39Å; N142-L168 HydrophobicContact CB-CD2 3.7Å
143	G	93.8	Very high	92.6	Very high	13 Å²	13	76 Å²	76	13%	0.134	39%	0.393	C	S	.	.	S	Bend	trans	-171.6	-175	-179.4	0	0	0	0	0	114.6
144	A	94.9	Very high	92.3	Very high	28 Å²	28	73.1 Å²	73.1	23%	0.231	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	131.9	178.6	0	0	0	0	0	111	F136 I137 I162 Y163	F136-A144 WeakPolarHBondContact O-CA 3.49Å; I137-A144 HydrophobicContact CD1-CB 4.38Å; I137-A144 HydrophobicContact CG1-CB 3.89Å; A144-I162 CarbonylContact O-C 3.44Å; A144-I162 VanDerWaalsContact O-CA 3.24Å; A144-I162 WeakPolarHBondContact O-CA 3.41Å; A144-Y163 PolarHBondContact N-O 3.45Å; A144-Y163 PolarHBondContact O-N 3.29Å
145	H	95.1	Very high	91.9	Very high	5 Å²	5	73.9 Å²	73.9	2%	0.023	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	137.6	177.7	-73.6	-158.6	0	0	0	111.4	K133 Y135 F136 E161	K133-H145 WeakPolarHBondContact O-CB 3.35Å; Y135-H145 PolarHBondContact N-O 3.43Å; F136-H145 HydrophobicContact CB-CB 4.32Å; F136-H145 AromaticContact CD1-CE1 3.84Å; F136-H145 PolarHBondContact O-N 3.28Å; H145-E161 CarbonylContact C-O 3.5Å; H145-E161 WeakPolarHBondContact CA-O 3.44Å
146	T	95.3	Very high	91.6	Very high	41 Å²	41	71.3 Å²	71.3	25%	0.252	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-16.6	177.8	66.8	0	0	0	0	113.2	K114 K148 E161	K114-T146 HydrophobicContact CD-CG2 4.24Å; K114-T146 HydrophobicContact CG-CG2 4.19Å; T146-K148 PolarHBondContact OG1-N 2.86Å; T146-E161 WeakPolarHBondContact CB-OE2 3.48Å; T146-E161 HydrophobicContact CG2-CB 4.47Å; T146-E161 HydrophobicContact CG2-CG 3.92Å; T146-E161 PolarHBondContact N-O 3.5Å; T146-E161 VanDerWaalsContact OG1-CB 3.32Å; T146-E161 WeakPolarHBondContact OG1-CB 3.26Å; T146-E161 WeakPolarHBondContact OG1-CG 3.37Å; T146-E161 PolarHBondContact OG1-O 2.89Å; T146-E161 PolarHBondContact OG1-OE2 2.84Å
147	G	94.3	Very high	91.5	Very high	15 Å²	15	72.1 Å²	72.1	16%	0.155	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	101.4	-0.4	-172.9	0	0	0	0	0	115.3	D129 C132	D129-G147 WeakPolarHBondContact CB-O 3.41Å; C132-G147 VanDerWaalsContact O-CA 3.31Å; C132-G147 WeakPolarHBondContact O-CA 3.43Å
148	K	95.4	Very high	91.5	Very high	116 Å²	116	66.7 Å²	66.7	50%	0.504	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	144.8	-179	-67.2	-172.9	174.7	-171.1	0	112	T146 E161	T146-K148 PolarHBondContact OG1-N 2.86Å; K148-E161 HydrophobicContact CB-CB 4.14Å; K148-E161 PolarHBondContact O-N 2.79Å
149	C	94.9	Very high	91.7	Very high	17 Å²	17	66.7 Å²	66.7	12%	0.115	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	121.5	172.8	-176.6	0	0	0	0	110.3	C126 D129	C126-C149 HydrophobicContact CB-CB 3.81Å; C126-C149 WeakPolarHBondContact CB-SG 3.31Å; C126-C149 PolarHBondContact O-SG 3.44Å; C126-C149 VanDerWaalsContact O-SG 3.33Å; C126-C149 WeakPolarHBondContact SG-CA 3.36Å; C126-C149 WeakPolarHBondContact SG-CB 3.48Å; C126-C149 CovalentContact SG-SG 2.03Å; C126-C149 PolarHBondContact SG-SG 3.3Å; D129-C149 PolarHBondContact OD1-N 3.36Å
150	I	94.1	Very high	92	Very high	55 Å²	55	58.7 Å²	58.7	28%	0.282	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	107.2	177.3	-61.4	172.6	0	0	0	108.7	Q116 G158 S159 E161	Q116-I150 HydrophobicContact CB-CD1 4.21Å; Q116-I150 HydrophobicContact CG-CB 4.47Å; I150-G158 CarbonylContact O-C 3.53Å; I150-G158 WeakPolarHBondContact O-CA 3.36Å; I150-S159 PolarHBondContact N-O 3.08Å; I150-S159 PolarHBondContact O-N 3.19Å; I150-E161 HydrophobicContact CD1-CB 3.68Å; I150-E161 HydrophobicContact CD1-CG 3.88Å; I150-E161 HydrophobicContact CG1-CB 4.01Å
151	I	92.1	Very high	92.2	Very high	76 Å²	76	55.1 Å²	55.1	39%	0.39	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-103.1	120	174.6	-53.1	174.1	0	0	0	108.4	Y127 N155	Y127-I151 WeakPolarHBondContact O-CD1 3.21Å; I151-N155 WeakPolarHBondContact CG2-O 3.03Å
152	K	88.4	Confident	92.5	Very high	119 Å²	119	54.1 Å²	54.1	52%	0.517	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-72.3	142.5	175.7	-70.5	-176.1	-179.4	176.8	0	109.9	G154 N155	K152-G154 PolarHBondContact O-N 3.14Å; K152-N155 PolarHBondContact O-N 3.15Å; K152-N155 VanDerWaalsContact O-N 3.08Å
153	P	86.7	Confident	92.7	Very high	136 Å²	136	56.8 Å²	56.8	88%	0.883	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	123.4	176	-23.9	32.8	0	0	0	111.2
154	G	86.1	Confident	92.7	Very high	84 Å²	84	57 Å²	57	87%	0.866	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.7	-3.9	-179.2	0	0	0	0	0	115.9	K152	K152-G154 PolarHBondContact O-N 3.14Å
155	N	86.5	Confident	92.8	Very high	95 Å²	95	57.9 Å²	57.9	51%	0.508	32%	0.32	S	S	.	.			trans	-108.2	140.9	173.1	-70.8	4.8	0	0	0	110.8	I151 K152	I151-N155 WeakPolarHBondContact CG2-O 3.03Å; K152-N155 PolarHBondContact O-N 3.15Å; K152-N155 VanDerWaalsContact O-N 3.08Å
156	D	86.1	Confident	92.8	Very high	148 Å²	148	58 Å²	58	79%	0.791	32%	0.321	S	S	*	.	S	Bend	trans	-81	-20.1	173.1	-63.5	-34.1	0	0	0	112.7	Y127	Y127-D156 WeakPolarHBondContact CD1-O 3.37Å
157	I	91.2	Very high	92.8	Very high	83 Å²	83	59.7 Å²	59.7	43%	0.426	33%	0.333	S	S	.	.			trans	-116.7	124.5	-176.3	-57.1	174	0	0	0	108.9	A125 Y127	A125-I157 HydrophobicContact CB-CG2 4.1Å; Y127-I157 HydrophobicContact CD1-CG1 4.35Å; Y127-I157 HydrophobicContact CE1-CD1 4.28Å; Y127-I157 HydrophobicContact CE1-CG1 3.55Å
158	G	92.2	Very high	92.8	Very high	6 Å²	6	60.7 Å²	60.7	6%	0.062	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-173.1	172.3	0	0	0	0	0	112.8	C126 I150	C126-G158 PolarHBondContact N-O 3.39Å; C126-G158 VanDerWaalsContact N-O 3.14Å; C126-G158 WeakPolarHBondContact O-CA 3.48Å; C126-G158 PolarHBondContact O-N 3.43Å; I150-G158 CarbonylContact O-C 3.53Å; I150-G158 WeakPolarHBondContact O-CA 3.36Å
159	S	94.4	Very high	92.7	Very high	4 Å²	4	57.4 Å²	57.4	3%	0.028	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	147.9	167.8	172.2	0	0	0	0	110.7	E117 A124 C126 I150	E117-S159 PolarHBondContact O-OG 3.05Å; A124-S159 CarbonylContact O-C 3.53Å; A124-S159 WeakPolarHBondContact O-CA 3.31Å; A124-S159 PolarHBondContact O-OG 3.48Å; C126-S159 VanDerWaalsContact SG-CA 3.59Å; I150-S159 PolarHBondContact N-O 3.08Å; I150-S159 PolarHBondContact O-N 3.19Å
160	C	95.4	Very high	92.4	Very high	0 Å²	0	60 Å²	60	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	137	-177.9	-68.9	0	0	0	0	111.3	E117 A124 C126 C132	E117-C160 WeakPolarHBondContact CB-O 3.08Å; E117-C160 PolarHBondContact N-O 3.45Å; A124-C160 PolarHBondContact O-N 3.25Å; C126-C160 PolarHBondContact SG-N 3.36Å; C132-C160 VanDerWaalsContact CA-SG 3.5Å; C132-C160 HydrophobicContact CB-CB 3.84Å; C132-C160 WeakPolarHBondContact CB-SG 3.37Å; C132-C160 WeakPolarHBondContact SG-CA 3.37Å; C132-C160 WeakPolarHBondContact SG-CB 3.16Å; C132-C160 CovalentContact SG-SG 2.04Å; C132-C160 PolarHBondContact SG-SG 2.91Å
161	E	96.1	Very high	92.1	Very high	28 Å²	28	61.7 Å²	61.7	13%	0.131	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	130.7	168.8	-176.4	-173.4	-120.5	0	0	108.9	K114 C115 H145 T146 K148 I150	K114-E161 HydrophobicContact CB-CG 3.95Å; C115-E161 WeakPolarHBondContact O-CA 3.34Å; H145-E161 CarbonylContact C-O 3.5Å; H145-E161 WeakPolarHBondContact CA-O 3.44Å; T146-E161 WeakPolarHBondContact CB-OE2 3.48Å; T146-E161 HydrophobicContact CG2-CB 4.47Å; T146-E161 HydrophobicContact CG2-CG 3.92Å; T146-E161 PolarHBondContact N-O 3.5Å; T146-E161 VanDerWaalsContact OG1-CB 3.32Å; T146-E161 WeakPolarHBondContact OG1-CB 3.26Å; T146-E161 WeakPolarHBondContact OG1-CG 3.37Å; T146-E161 PolarHBondContact OG1-O 2.89Å; T146-E161 PolarHBondContact OG1-OE2 2.84Å; K148-E161 HydrophobicContact CB-CB 4.14Å; K148-E161 PolarHBondContact O-N 2.79Å; I150-E161 HydrophobicContact CD1-CB 3.68Å; I150-E161 HydrophobicContact CD1-CG 3.88Å; I150-E161 HydrophobicContact CG1-CB 4.01Å
162	I	96.6	Very high	91.9	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	150	177.5	54.7	160.9	0	0	0	111	K114 C115 E117 N142 A144 L168	K114-I162 VanDerWaalsContact CA-O 3.28Å; K114-I162 WeakPolarHBondContact CA-O 3.49Å; C115-I162 PolarHBondContact N-O 2.92Å; C115-I162 VanDerWaalsContact O-CG1 3.27Å; C115-I162 WeakPolarHBondContact O-CG1 3.39Å; C115-I162 PolarHBondContact O-N 3.39Å; E117-I162 HydrophobicContact CB-CD1 4.28Å; E117-I162 HydrophobicContact CB-CG1 4.22Å; E117-I162 HydrophobicContact CB-CG2 3.89Å; E117-I162 HydrophobicContact CG-CG2 4.34Å; E117-I162 WeakPolarHBondContact OE2-CD1 3.24Å; N142-I162 HydrophobicContact CB-CD1 3.88Å; A144-I162 CarbonylContact O-C 3.44Å; A144-I162 VanDerWaalsContact O-CA 3.24Å; A144-I162 WeakPolarHBondContact O-CA 3.41Å; I162-L168 HydrophobicContact CD1-CD1 4.25Å; I162-L168 HydrophobicContact CD1-CD2 3.86Å
163	Y	96.3	Very high	92	Very high	123 Å²	123	58.7 Å²	58.7	48%	0.482	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	109.8	166.6	-173.2	-103.5	0	0	0	109.2	S113 K114 A144	S113-Y163 WeakPolarHBondContact O-CA 3.46Å; K114-Y163 HydrophobicContact CG-CD2 4.08Å; A144-Y163 PolarHBondContact N-O 3.45Å; A144-Y163 PolarHBondContact O-N 3.29Å
164	S	95.6	Very high	91.8	Very high	17 Å²	17	53.8 Å²	53.8	12%	0.119	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	-170.6	-177.6	-164	0	0	0	0	111.7	L112 S113 N142 C166	L112-S164 WeakPolarHBondContact CA-O 3.33Å; S113-S164 PolarHBondContact N-O 3.35Å; S113-S164 PolarHBondContact O-N 3.21Å; S113-S164 VanDerWaalsContact O-O 3.06Å; N142-S164 WeakPolarHBondContact O-CB 3.06Å; N142-S164 PolarHBondContact O-OG 3.03Å; S164-C166 PolarHBondContact O-N 3.24Å; S164-C166 PolarHBondContact O-SG 3.26Å
165	W	96.1	Very high	91.9	Very high	48 Å²	48	51.8 Å²	51.8	18%	0.182	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	103.8	166.7	-70.9	100.9	0	0	0	109.9	Q110 L112 F301 R310	Q110-W165 HydrophobicContact CB-CB 4.11Å; Q110-W165 HydrophobicContact CB-CE3 4Å; Q110-W165 WeakPolarHBondContact O-CZ3 3.34Å; L112-W165 HydrophobicContact CD1-CZ2 4.35Å; L112-W165 HydrophobicContact CD2-CD2 3.86Å; L112-W165 HydrophobicContact CD2-CE3 4.43Å; L112-W165 HydrophobicContact CD2-CG 4.08Å; L112-W165 HydrophobicContact CD2-CZ2 4.16Å; L112-W165 HydrophobicContact CG-CD2 4.18Å; L112-W165 HydrophobicContact CG-CE3 4.3Å; L112-W165 HydrophobicContact CG-CH2 4.15Å; L112-W165 HydrophobicContact CG-CZ2 4.01Å; L112-W165 HydrophobicContact CG-CZ3 4.29Å; W165-F301 HydrophobicContact CH2-CD1 4.3Å; W165-F301 HydrophobicContact CH2-CE1 4.14Å; W165-F301 AromaticContact CZ2-CE1 3.95Å; W165-F301 HydrophobicContact CZ2-CE1 3.95Å; W165-R310 VanDerWaalsContact CB-NH2 3.3Å; W165-R310 VanDerWaalsContact CD1-NH1 3.31Å; W165-R310 HydrophobicContact CD2-CG 4.03Å; W165-R310 VanDerWaalsContact CD2-NE 3.33Å; W165-R310 HydrophobicContact CE3-CB 4.5Å; W165-R310 HydrophobicContact CE3-CG 3.62Å; W165-R310 VanDerWaalsContact CG-NE 3.3Å; W165-R310 VanDerWaalsContact CG-NH2 3.34Å; W165-R310 HydrophobicContact CH2-CB 4.44Å; W165-R310 HydrophobicContact CH2-CG 4.28Å; W165-R310 HydrophobicContact CZ3-CB 4.14Å; W165-R310 HydrophobicContact CZ3-CG 3.75Å
166	C	95.7	Very high	92	Very high	8 Å²	8	48.8 Å²	48.8	5%	0.054	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	143.6	-178.3	-53.9	0	0	0	0	110.6	Q110 S111 S113 C115 S164	Q110-C166 CarbonylContact C-O 3.6Å; Q110-C166 VanDerWaalsContact CA-O 3.27Å; Q110-C166 WeakPolarHBondContact CA-O 3.32Å; S111-C166 PolarHBondContact N-O 3.43Å; S111-C166 PolarHBondContact O-N 3.04Å; S113-C166 PolarHBondContact O-SG 2.93Å; S113-C166 VanDerWaalsContact O-SG 3.38Å; S113-C166 WeakPolarHBondContact OG-CB 3.19Å; C115-C166 HydrophobicContact CB-CB 3.57Å; C115-C166 WeakPolarHBondContact CB-SG 3.32Å; C115-C166 PolarHBondContact N-SG 2.97Å; C115-C166 VanDerWaalsContact N-SG 3.42Å; C115-C166 WeakPolarHBondContact SG-CB 3.33Å; C115-C166 CovalentContact SG-SG 2.03Å; C115-C166 PolarHBondContact SG-SG 3.32Å; S164-C166 PolarHBondContact O-N 3.24Å; S164-C166 PolarHBondContact O-SG 3.26Å
167	P	95	Very high	91.8	Very high	76 Å²	76	52.3 Å²	52.3	49%	0.494	27%	0.268	S	S	.	.	S	Bend	cis	-66.6	152.2	0.8	29.9	-36.2	0	0	0	112.1	T107 Q110	T107-P167 HydrophobicContact CG2-CG 4.33Å; Q110-P167 WeakPolarHBondContact CG-O 3.23Å; Q110-P167 PolarHBondContact NE2-O 2.99Å
168	L	94.2	Very high	91.5	Very high	36 Å²	36	58 Å²	58	19%	0.188	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-60.3	160.6	177.2	-65.4	-175.5	0	0	0	111.4	Q116 N142 I162 N170	Q116-L168 VanDerWaalsContact O-CD1 3.24Å; Q116-L168 WeakPolarHBondContact O-CD1 3.08Å; N142-L168 HydrophobicContact CB-CD1 4.39Å; N142-L168 HydrophobicContact CB-CD2 3.7Å; I162-L168 HydrophobicContact CD1-CD1 4.25Å; I162-L168 HydrophobicContact CD1-CD2 3.86Å; L168-N170 PolarHBondContact O-N 2.94Å
169	E	93	Very high	91.3	Very high	47 Å²	47	60.2 Å²	60.2	22%	0.22	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-53.9	131.6	179.9	-178.8	-177.8	141.9	0	0	112	R297 L312 K314	E169-R297 IonicContact OE1-CZ 3.34Å; E169-R297 IonicContact OE1-NE 2.74Å; E169-R297 PolarHBondContact OE1-NE 3.47Å; E169-R297 IonicContact OE1-NH2 2.86Å; E169-R297 PolarHBondContact OE1-NH2 3.33Å; E169-R297 VanDerWaalsContact OE2-CD 3.3Å; E169-R297 WeakPolarHBondContact OE2-CD 3.14Å; E169-R297 IonicContact OE2-CZ 2.74Å; E169-R297 IonicContact OE2-NE 2.72Å; E169-R297 PolarHBondContact OE2-NE 2.98Å; E169-R297 IonicContact OE2-NH2 3.3Å; E169-L312 HydrophobicContact CB-CD2 3.81Å; E169-L312 HydrophobicContact CG-CD2 3.83Å; E169-K314 WeakPolarHBondContact OE1-CD 3.09Å
170	N	89.2	Confident	91.1	Very high	72 Å²	72	62.1 Å²	62.1	39%	0.385	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-80.4	116.9	165.5	-175.1	7	0	0	0	109.6	V105 T107 L168 T172	V105-N170 HydrophobicContact CG1-CB 4.22Å; V105-N170 WeakPolarHBondContact CG1-O 3.48Å; T107-N170 PolarHBondContact OG1-N 3.05Å; L168-N170 PolarHBondContact O-N 2.94Å; N170-T172 VanDerWaalsContact CG-OG1 3.32Å; N170-T172 PolarHBondContact ND2-OG1 2.81Å; N170-T172 WeakPolarHBondContact OD1-CB 3.41Å; N170-T172 PolarHBondContact OD1-N 2.85Å; N170-T172 PolarHBondContact OD1-OG1 2.93Å
171	D	86.7	Confident	90.8	Very high	90 Å²	90	62.1 Å²	62.1	48%	0.481	31%	0.312	S	S	.	.			trans	-102.9	17.7	175.9	-156.7	8.6	0	0	0	113.4	K314 Y316	D171-K314 IonicContact OD1-NZ 3.77Å; D171-K314 PolarHBondContact OD1-NZ 3.27Å; D171-K314 IonicContact OD2-NZ 2.82Å; D171-K314 PolarHBondContact OD2-NZ 3.07Å; D171-K314 VanDerWaalsContact OD2-NZ 3.13Å; D171-Y316 PolarHBondContact OD1-OH 3.48Å
172	T	88.8	Confident	90.7	Very high	89 Å²	89	60.9 Å²	60.9	55%	0.546	31%	0.306	S	S	.	.	S	Bend	trans	-87.5	125.9	176	61.1	0	0	0	0	110.7	N170	N170-T172 VanDerWaalsContact CG-OG1 3.32Å; N170-T172 PolarHBondContact ND2-OG1 2.81Å; N170-T172 WeakPolarHBondContact OD1-CB 3.41Å; N170-T172 PolarHBondContact OD1-N 2.85Å; N170-T172 PolarHBondContact OD1-OG1 2.93Å
173	L	89.3	Confident	90.4	Very high	42 Å²	42	64.8 Å²	64.8	22%	0.22	33%	0.331	C	S	.	.			trans	-65.4	127.5	174.8	-68.2	176.2	0	0	0	109.8	V105 L175 G176 R177 I252 Y316	V105-L173 HydrophobicContact CG2-CD2 4.43Å; L173-L175 VanDerWaalsContact C-N 3.31Å; L173-L175 PolarHBondContact O-N 3.45Å; L173-G176 PolarHBondContact O-N 2.87Å; L173-R177 HydrophobicContact CD1-CG 4.13Å; L173-I252 HydrophobicContact CD1-CG2 3.95Å; L173-Y316 HydrophobicContact CD2-CD2 4.2Å; L173-Y316 HydrophobicContact CD2-CE2 3.73Å
174	P	84.5	Confident	90.2	Very high	34 Å²	34	60.3 Å²	60.3	22%	0.221	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-33	-168.6	22.5	-34.5	0	0	0	113.8	I75 I78 L104 L181	I75-P174 HydrophobicContact CD1-CB 3.73Å; I75-P174 HydrophobicContact CG2-CB 3.89Å; I78-P174 HydrophobicContact CD1-CB 4.24Å; I78-P174 HydrophobicContact CD1-CG 4.25Å; L104-P174 WeakPolarHBondContact O-CG 3.41Å; P174-L181 HydrophobicContact CB-CD2 4.45Å; P174-L181 HydrophobicContact CG-CD1 3.88Å; P174-L181 HydrophobicContact CG-CD2 4Å; P174-L181 HydrophobicContact CG-CG 4.01Å
175	L	87.6	Confident	90.1	Very high	41 Å²	41	59.5 Å²	59.5	22%	0.215	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	16.2	177.5	-57.9	178.8	0	0	0	112.7	F72 I75 L173 L181	F72-L175 HydrophobicContact CD1-CD2 4.24Å; F72-L175 HydrophobicContact CE1-CD1 4.18Å; F72-L175 HydrophobicContact CE1-CD2 3.95Å; F72-L175 HydrophobicContact CE2-CD1 4.18Å; F72-L175 HydrophobicContact CZ-CD1 3.74Å; F72-L175 HydrophobicContact CZ-CD2 4.33Å; I75-L175 HydrophobicContact CD1-CD2 3.81Å; I75-L175 HydrophobicContact CD1-CG 4.46Å; L173-L175 VanDerWaalsContact C-N 3.31Å; L173-L175 PolarHBondContact O-N 3.45Å; L175-L181 HydrophobicContact CD1-CD2 3.91Å; L175-L181 HydrophobicContact CG-CD2 4.07Å
176	G	87.2	Confident	90	Very high	32 Å²	32	61.1 Å²	61.1	33%	0.33	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	-161.7	-174.1	0	0	0	0	0	113.7	L173 K178	L173-G176 PolarHBondContact O-N 2.87Å; G176-K178 VanDerWaalsContact C-N 3.35Å
177	R	83.5	Confident	89.9	Confident	222 Å²	222	65.9 Å²	65.9	84%	0.838	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	9.1	-177.3	-64.6	-175.4	-178.2	173.5	0.6	114.4	L173 I252	L173-R177 HydrophobicContact CD1-CG 4.13Å; R177-I252 VanDerWaalsContact O-CD1 3.25Å; R177-I252 WeakPolarHBondContact O-CD1 3.44Å
178	K	83.9	Confident	90	Very high	204 Å²	204	62.5 Å²	62.5	89%	0.887	32%	0.318	S	S	*	.	S	Bend	trans	-106.3	-19.5	-176.9	-67.4	-173.2	178.2	-177.3	0	113.3	G176	G176-K178 VanDerWaalsContact C-N 3.35Å
179	S	88.1	Confident	90.1	Very high	52 Å²	52	62.5 Å²	62.5	36%	0.364	32%	0.32	S	S	.	.			trans	-143	160.4	-175	-169.4	0	0	0	0	109.9
180	F	90.8	Very high	90.3	Very high	43 Å²	43	60.3 Å²	60.3	19%	0.189	31%	0.31	C	S	.	.			trans	-127.3	159.3	179.3	51.1	-82	0	0	0	109.2	P183 F251 I252	F180-P183 VanDerWaalsContact CE2-CA 3.48Å; F180-P183 HydrophobicContact CE2-CB 4.05Å; F180-P183 HydrophobicContact CZ-CB 4.47Å; F180-F251 HydrophobicContact CB-CB 4.04Å; F180-F251 WeakPolarHBondContact CB-O 3.44Å; F180-F251 HydrophobicContact CD1-CB 3.65Å; F180-F251 HydrophobicContact CD1-CG 4.49Å; F180-F251 HydrophobicContact CD2-CB 3.55Å; F180-F251 HydrophobicContact CD2-CD1 4.42Å; F180-F251 HydrophobicContact CD2-CG 4.15Å; F180-F251 HydrophobicContact CE1-CB 3.89Å; F180-F251 HydrophobicContact CE1-CD2 4.33Å; F180-F251 HydrophobicContact CE1-CG 4.26Å; F180-F251 HydrophobicContact CE2-CB 3.69Å; F180-F251 AromaticContact CE2-CD1 4Å; F180-F251 HydrophobicContact CE2-CD1 4Å; F180-F251 HydrophobicContact CE2-CD2 4.41Å; F180-F251 AromaticContact CE2-CG 3.79Å; F180-F251 HydrophobicContact CE2-CG 3.79Å; F180-F251 HydrophobicContact CG-CB 3.49Å; F180-F251 VanDerWaalsContact CG-CB 3.49Å; F180-F251 HydrophobicContact CG-CG 4.46Å; F180-F251 HydrophobicContact CZ-CB 3.91Å; F180-F251 HydrophobicContact CZ-CD1 4.45Å; F180-F251 HydrophobicContact CZ-CD2 4.08Å; F180-F251 AromaticContact CZ-CG 3.9Å; F180-F251 HydrophobicContact CZ-CG 3.9Å; F180-I252 HydrophobicContact CB-CG1 4.19Å; F180-I252 HydrophobicContact CD1-CG1 4.26Å
181	L	89.6	Confident	90.6	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.005	30%	0.301	C	S	.	.	S	Bend	trans	-75.7	-32.7	-171.5	-71.3	170.3	0	0	0	113.1	F72 I78 T102 N103 L104 P174 L175 P183	F72-L181 HydrophobicContact CD2-CD2 3.76Å; F72-L181 HydrophobicContact CE2-CD2 3.78Å; I78-L181 HydrophobicContact CD1-CD1 3.5Å; I78-L181 VanDerWaalsContact CD1-CD1 3.5Å; I78-L181 HydrophobicContact CD1-CD2 3.69Å; I78-L181 HydrophobicContact CD1-CG 4.26Å; T102-L181 PolarHBondContact O-N 3.49Å; N103-L181 WeakPolarHBondContact OD1-CD1 3.5Å; N103-L181 WeakPolarHBondContact OD1-CG 3.36Å; L104-L181 HydrophobicContact CB-CD1 4.43Å; L104-L181 HydrophobicContact CD1-CD1 4.37Å; L104-L181 HydrophobicContact CG-CD1 3.71Å; L104-L181 WeakPolarHBondContact O-CD1 3.4Å; P174-L181 HydrophobicContact CB-CD2 4.45Å; P174-L181 HydrophobicContact CG-CD1 3.88Å; P174-L181 HydrophobicContact CG-CD2 4Å; P174-L181 HydrophobicContact CG-CG 4.01Å; L175-L181 HydrophobicContact CD1-CD2 3.91Å; L175-L181 HydrophobicContact CG-CD2 4.07Å; L181-P183 WeakPolarHBondContact O-CD 3.45Å
182	F	92.2	Very high	91.1	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.009	28%	0.278	C	S	.	.			trans	-117.6	68.6	-166.8	-54.3	-35.8	0	0	0	113.8	T70 W83 I101 T102 L104 M184 V185	T70-F182 HydrophobicContact CG2-CD1 3.8Å; T70-F182 HydrophobicContact CG2-CE1 3.7Å; W83-F182 AromaticContact CD1-CE1 3.91Å; W83-F182 AromaticContact CD2-CE1 3.77Å; W83-F182 HydrophobicContact CD2-CE1 3.77Å; W83-F182 AromaticContact CD2-CZ 3.64Å; W83-F182 HydrophobicContact CD2-CZ 3.64Å; W83-F182 AromaticContact CE2-CE1 3.62Å; W83-F182 AromaticContact CE2-CZ 3.72Å; W83-F182 HydrophobicContact CE3-CE1 4.36Å; W83-F182 AromaticContact CE3-CZ 3.76Å; W83-F182 HydrophobicContact CE3-CZ 3.76Å; W83-F182 AromaticContact CG-CE1 3.99Å; W83-F182 HydrophobicContact CG-CE1 3.99Å; W83-F182 HydrophobicContact CG-CZ 4.24Å; W83-F182 HydrophobicContact CH2-CZ 4.13Å; W83-F182 HydrophobicContact CZ2-CE1 4.15Å; W83-F182 AromaticContact CZ2-CZ 3.97Å; W83-F182 HydrophobicContact CZ2-CZ 3.97Å; W83-F182 HydrophobicContact CZ3-CZ 4.02Å; W83-F182 AromaticContact NE1-CE1 3.66Å; I101-F182 HydrophobicContact CB-CD2 4.42Å; I101-F182 HydrophobicContact CB-CE2 4.14Å; I101-F182 HydrophobicContact CG2-CD2 4.01Å; I101-F182 HydrophobicContact CG2-CE2 3.57Å; I101-F182 WeakPolarHBondContact O-CD2 3.31Å; T102-F182 WeakPolarHBondContact O-CB 3.03Å; T102-F182 PolarHBondContact O-N 3.48Å; T102-F182 VanDerWaalsContact O-N 3.11Å; L104-F182 HydrophobicContact CD2-CE2 3.78Å; L104-F182 HydrophobicContact CD2-CZ 3.48Å; L104-F182 VanDerWaalsContact CD2-CZ 3.48Å; L104-F182 HydrophobicContact CG-CZ 4.39Å; F182-M184 VanDerWaalsContact CA-SD 3.58Å; F182-M184 HydrophobicContact CB-CE 3.96Å; F182-M184 HydrophobicContact CB-SD 4.05Å; F182-M184 HydrophobicContact CD1-CE 3.28Å; F182-M184 HydrophobicContact CD1-SD 4.31Å; F182-M184 HydrophobicContact CE1-CE 3.99Å; F182-M184 HydrophobicContact CG-CE 3.92Å; F182-M184 PolarHBondContact O-N 2.71Å; F182-V185 HydrophobicContact CB-CG2 3.75Å; F182-V185 WeakPolarHBondContact O-CB 3.44Å; F182-V185 WeakPolarHBondContact O-CG2 3.39Å; F182-V185 PolarHBondContact O-N 3.36Å
183	P	90.9	Very high	91.5	Very high	81 Å²	81	54 Å²	54	53%	0.526	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-60.8	-27.3	173.5	27.3	-34.3	0	0	0	113.5	F180 L181 V185 Y186	F180-P183 VanDerWaalsContact CE2-CA 3.48Å; F180-P183 HydrophobicContact CE2-CB 4.05Å; F180-P183 HydrophobicContact CZ-CB 4.47Å; L181-P183 WeakPolarHBondContact O-CD 3.45Å; P183-V185 PolarHBondContact O-N 2.92Å; P183-V185 VanDerWaalsContact O-N 3.14Å; P183-Y186 PolarHBondContact O-N 2.85Å
184	M	92.7	Very high	91.8	Very high	30 Å²	30	52 Å²	52	15%	0.148	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-61.1	-20.3	177.3	54.6	-87.6	-154.7	0	0	114.3	T70 W83 F182 Y186 N187 Y188	T70-M184 HydrophobicContact CG2-CE 3.87Å; W83-M184 HydrophobicContact CG-CE 4.49Å; F182-M184 VanDerWaalsContact CA-SD 3.58Å; F182-M184 HydrophobicContact CB-CE 3.96Å; F182-M184 HydrophobicContact CB-SD 4.05Å; F182-M184 HydrophobicContact CD1-CE 3.28Å; F182-M184 HydrophobicContact CD1-SD 4.31Å; F182-M184 HydrophobicContact CE1-CE 3.99Å; F182-M184 HydrophobicContact CG-CE 3.92Å; F182-M184 PolarHBondContact O-N 2.71Å; M184-Y186 PolarHBondContact O-N 3.26Å; M184-Y186 VanDerWaalsContact O-N 3.12Å; M184-N187 PolarHBondContact O-N 3.35Å; M184-Y188 HydrophobicContact CB-CE1 3.95Å; M184-Y188 HydrophobicContact CG-CE1 3.91Å; M184-Y188 VanDerWaalsContact CG-OH 3.25Å; M184-Y188 WeakPolarHBondContact CG-OH 3.38Å; M184-Y188 WeakPolarHBondContact O-CD1 3.21Å; M184-Y188 WeakPolarHBondContact O-CE1 3.14Å
185	V	94.1	Very high	92.4	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-55.3	-31.5	177.9	171.5	0	0	0	0	111.2	V100 T102 F182 P183 N187 Y188 F237 F241	V100-V185 HydrophobicContact CG1-CG1 3.78Å; V100-V185 HydrophobicContact CG1-CG2 4.03Å; T102-V185 HydrophobicContact CG2-CG1 4.26Å; T102-V185 HydrophobicContact CG2-CG2 4.47Å; F182-V185 HydrophobicContact CB-CG2 3.75Å; F182-V185 WeakPolarHBondContact O-CB 3.44Å; F182-V185 WeakPolarHBondContact O-CG2 3.39Å; F182-V185 PolarHBondContact O-N 3.36Å; P183-V185 PolarHBondContact O-N 2.92Å; P183-V185 VanDerWaalsContact O-N 3.14Å; V185-N187 PolarHBondContact O-N 3.47Å; V185-N187 VanDerWaalsContact O-N 3.16Å; V185-Y188 HydrophobicContact CB-CD2 4.38Å; V185-Y188 HydrophobicContact CB-CE2 4.47Å; V185-Y188 HydrophobicContact CG2-CD2 4.17Å; V185-Y188 HydrophobicContact CG2-CE2 3.85Å; V185-Y188 WeakPolarHBondContact O-CB 3.36Å; V185-Y188 PolarHBondContact O-N 3.42Å; V185-Y188 VanDerWaalsContact O-N 3.12Å; V185-F237 HydrophobicContact CG1-CD2 3.79Å; V185-F237 HydrophobicContact CG1-CE2 4.34Å; V185-F237 WeakPolarHBondContact O-CB 3.04Å; V185-F237 VanDerWaalsContact O-CD2 3.31Å; V185-F237 WeakPolarHBondContact O-CD2 3.49Å; V185-F241 HydrophobicContact CG1-CE2 4.47Å; V185-F241 HydrophobicContact CG1-CZ 4.35Å
186	Y	93.1	Very high	92.8	Very high	81 Å²	81	50.6 Å²	50.6	32%	0.318	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-55.4	-33.4	175.6	-158.6	-92.7	0	0	0	113.7	P183 M184 G238 F241 E242 F251	P183-Y186 PolarHBondContact O-N 2.85Å; M184-Y186 PolarHBondContact O-N 3.26Å; M184-Y186 VanDerWaalsContact O-N 3.12Å; Y186-G238 VanDerWaalsContact CE1-CA 3.48Å; Y186-G238 PolarHBondContact O-N 2.84Å; Y186-F241 AromaticContact CD2-CD2 3.93Å; Y186-F241 HydrophobicContact CD2-CD2 3.93Å; Y186-F241 HydrophobicContact CD2-CE2 4.48Å; Y186-F241 HydrophobicContact CE2-CD2 4.18Å; Y186-E242 WeakPolarHBondContact OH-CG 3.43Å; Y186-E242 PolarHBondContact OH-OE1 2.9Å; Y186-F251 HydrophobicContact CD2-CZ 4.43Å
187	N	94.7	Very high	93.3	Very high	108 Å²	108	51.7 Å²	51.7	58%	0.578	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-97.5	4.3	-175.6	-65.5	-28.3	0	0	0	113.2	M184 V185 Q236	M184-N187 PolarHBondContact O-N 3.35Å; V185-N187 PolarHBondContact O-N 3.47Å; V185-N187 VanDerWaalsContact O-N 3.16Å; N187-Q236 PolarHBondContact OD1-NE2 2.98Å
188	Y	96.2	Very high	93.9	Very high	5 Å²	5	41.1 Å²	41.1	2%	0.02	21%	0.207	C	C	.	.			trans	-74.9	154.8	176	-66.5	-2.3	0	0	0	110.4	G66 G68 Y88 M184 V185 Q236 F237	G66-Y188 VanDerWaalsContact CA-CD1 3.48Å; G68-Y188 WeakPolarHBondContact CA-OH 3.5Å; G68-Y188 PolarHBondContact N-OH 3.34Å; Y88-Y188 AromaticContact CD1-CE2 3.93Å; Y88-Y188 HydrophobicContact CD1-CE2 3.93Å; Y88-Y188 HydrophobicContact CD2-CD2 4.4Å; Y88-Y188 AromaticContact CD2-CE2 3.92Å; Y88-Y188 HydrophobicContact CD2-CE2 3.92Å; Y88-Y188 HydrophobicContact CE1-CD2 4.41Å; Y88-Y188 AromaticContact CE1-CE2 3.48Å; Y88-Y188 HydrophobicContact CE1-CE2 3.48Å; Y88-Y188 VanDerWaalsContact CE1-CE2 3.48Å; Y88-Y188 AromaticContact CE1-CZ 3.72Å; Y88-Y188 WeakPolarHBondContact CE1-OH 3.41Å; Y88-Y188 AromaticContact CE2-CD2 3.74Å; Y88-Y188 HydrophobicContact CE2-CD2 3.74Å; Y88-Y188 AromaticContact CE2-CE2 3.49Å; Y88-Y188 HydrophobicContact CE2-CE2 3.49Å; Y88-Y188 VanDerWaalsContact CE2-CE2 3.49Å; Y88-Y188 HydrophobicContact CG-CE2 4.16Å; Y88-Y188 AromaticContact CZ-CD2 3.76Å; Y88-Y188 AromaticContact CZ-CE2 3.27Å; Y88-Y188 AromaticContact CZ-CZ 3.87Å; M184-Y188 HydrophobicContact CB-CE1 3.95Å; M184-Y188 HydrophobicContact CG-CE1 3.91Å; M184-Y188 VanDerWaalsContact CG-OH 3.25Å; M184-Y188 WeakPolarHBondContact CG-OH 3.38Å; M184-Y188 WeakPolarHBondContact O-CD1 3.21Å; M184-Y188 WeakPolarHBondContact O-CE1 3.14Å; V185-Y188 HydrophobicContact CB-CD2 4.38Å; V185-Y188 HydrophobicContact CB-CE2 4.47Å; V185-Y188 HydrophobicContact CG2-CD2 4.17Å; V185-Y188 HydrophobicContact CG2-CE2 3.85Å; V185-Y188 WeakPolarHBondContact O-CB 3.36Å; V185-Y188 PolarHBondContact O-N 3.42Å; V185-Y188 VanDerWaalsContact O-N 3.12Å; Y188-Q236 WeakPolarHBondContact O-CA 3.34Å; Y188-F237 HydrophobicContact CD2-CE2 4.37Å; Y188-F237 PolarHBondContact O-N 2.88Å
189	T	96.8	Very high	94.5	Very high	37 Å²	37	36.7 Å²	36.7	23%	0.227	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	139	-179	55.4	0	0	0	0	110.3	V64 K65 L221 I234 F235	V64-T189 CarbonylContact C-O 3.49Å; V64-T189 WeakPolarHBondContact CA-O 3.32Å; K65-T189 PolarHBondContact N-O 2.93Å; K65-T189 PolarHBondContact O-N 2.96Å; K65-T189 PolarHBondContact O-OG1 3.29Å; T189-L221 HydrophobicContact CG2-CD2 4.19Å; T189-I234 HydrophobicContact CG2-CG2 4.27Å; T189-F235 CarbonylContact C-O 3.57Å; T189-F235 VanDerWaalsContact CA-O 3.28Å; T189-F235 WeakPolarHBondContact CA-O 3.27Å
190	L	96.5	Very high	94.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	116.2	177.1	170.1	63.3	0	0	0	109	T62 V64 L98 I192 I234 F235 F237 I240 I259	T62-L190 HydrophobicContact CG2-CD1 4.31Å; V64-L190 HydrophobicContact CG2-CD1 3.95Å; L98-L190 HydrophobicContact CD2-CD1 3.44Å; L98-L190 VanDerWaalsContact CD2-CD1 3.44Å; L98-L190 HydrophobicContact CD2-CD2 3.89Å; L98-L190 HydrophobicContact CD2-CG 4.32Å; L190-I192 HydrophobicContact CD1-CG1 4.33Å; L190-I192 HydrophobicContact CD2-CD1 3.88Å; L190-I192 HydrophobicContact CD2-CG1 3.89Å; L190-I192 HydrophobicContact CG-CD1 4.31Å; L190-I192 HydrophobicContact CG-CG1 3.78Å; L190-I234 CarbonylContact O-C 3.57Å; L190-I234 WeakPolarHBondContact O-CA 3.32Å; L190-F235 PolarHBondContact N-O 2.9Å; L190-F235 PolarHBondContact O-N 3.19Å; L190-F237 HydrophobicContact CB-CD1 4.17Å; L190-F237 HydrophobicContact CB-CE1 3.52Å; L190-F237 HydrophobicContact CB-CZ 4.28Å; L190-F237 HydrophobicContact CD2-CE1 4.06Å; L190-F237 HydrophobicContact CG-CE1 4.32Å; L190-I240 HydrophobicContact CD2-CD1 4.41Å; L190-I259 HydrophobicContact CD2-CD1 3.76Å
191	L	96.1	Very high	94.9	Very high	39 Å²	39	39 Å²	39	20%	0.204	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	121.6	166.8	173.1	67.4	0	0	0	108.9	T62 K63 K193 P233 I234	T62-L191 CarbonylContact C-O 3.42Å; T62-L191 WeakPolarHBondContact CA-O 3.39Å; K63-L191 HydrophobicContact CB-CB 4.33Å; K63-L191 PolarHBondContact N-O 2.96Å; K63-L191 PolarHBondContact O-N 2.91Å; L191-K193 HydrophobicContact CG-CG 4.41Å; L191-P233 WeakPolarHBondContact CA-O 3.26Å; L191-P233 HydrophobicContact CD1-CB 3.91Å; L191-P233 HydrophobicContact CD1-CG 3.78Å; L191-I234 HydrophobicContact CB-CG1 4.49Å; L191-I234 HydrophobicContact CD1-CG1 3.81Å
192	I	96.9	Very high	95.2	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	121.5	171.8	-53.7	-179.2	0	0	0	108.6	V60 L190 N207 P233 F235 I259 I261 I322	V60-I192 HydrophobicContact CG1-CG2 3.87Å; L190-I192 HydrophobicContact CD1-CG1 4.33Å; L190-I192 HydrophobicContact CD2-CD1 3.88Å; L190-I192 HydrophobicContact CD2-CG1 3.89Å; L190-I192 HydrophobicContact CG-CD1 4.31Å; L190-I192 HydrophobicContact CG-CG1 3.78Å; I192-N207 PolarHBondContact O-ND2 3.14Å; I192-P233 PolarHBondContact N-O 3.2Å; I192-P233 VanDerWaalsContact O-CB 3.32Å; I192-P233 WeakPolarHBondContact O-CB 3.09Å; I192-F235 HydrophobicContact CB-CE2 4.13Å; I192-F235 HydrophobicContact CD1-CD2 3.86Å; I192-F235 HydrophobicContact CD1-CE2 3.74Å; I192-F235 HydrophobicContact CG1-CD2 3.98Å; I192-F235 HydrophobicContact CG1-CE2 3.94Å; I192-I259 HydrophobicContact CD1-CD1 3.98Å; I192-I259 HydrophobicContact CD1-CG2 4Å; I192-I261 HydrophobicContact CG2-CD1 3.95Å; I192-I322 HydrophobicContact CD1-CD1 4.13Å; I192-I322 HydrophobicContact CG1-CD1 4.4Å; I192-I322 HydrophobicContact CG2-CD1 4.38Å
193	K	95.9	Very high	95.3	Very high	79 Å²	79	43.2 Å²	43.2	34%	0.343	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	119.9	166.7	-56.2	171.7	-178.7	176.1	0	107.1	V60 T61 L191 I208	V60-K193 CarbonylContact C-O 3.58Å; V60-K193 WeakPolarHBondContact CA-O 3.49Å; T61-K193 PolarHBondContact N-O 2.69Å; T61-K193 PolarHBondContact O-N 3.11Å; T61-K193 WeakPolarHBondContact OG1-CB 3.43Å; L191-K193 HydrophobicContact CG-CG 4.41Å; K193-I208 HydrophobicContact CG-CD1 4.32Å
194	N	97.3	Very high	95.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	128.8	177.8	171.9	-124.9	0	0	0	109.5	A59 V60 R206 N207 I261 W263	A59-N194 WeakPolarHBondContact O-CA 3.3Å; A59-N194 PolarHBondContact O-ND2 2.86Å; A59-N194 VanDerWaalsContact O-ND2 3.09Å; V60-N194 HydrophobicContact CG2-CB 4.4Å; N194-R206 WeakPolarHBondContact O-CA 3.43Å; N194-R206 WeakPolarHBondContact O-CG 3.17Å; N194-N207 HydrophobicContact CB-CB 4.34Å; N194-N207 PolarHBondContact N-OD1 3.03Å; N194-N207 PolarHBondContact O-N 3.08Å; N194-N207 PolarHBondContact O-OD1 2.97Å; N194-I261 HydrophobicContact CB-CD1 4.14Å; N194-W263 PolarHBondContact OD1-NE1 3.19Å
195	D	96	Very high	95.6	Very high	46 Å²	46	44 Å²	44	25%	0.246	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	127.6	-178.4	-73	-83.8	0	0	0	107.1	S58 A59 H204 R206	S58-D195 CarbonylContact C-O 3.6Å; S58-D195 WeakPolarHBondContact CA-O 3.25Å; A59-D195 PolarHBondContact N-O 3.1Å; A59-D195 PolarHBondContact O-N 3.33Å; D195-H204 IonicContact OD1-CE1 3.73Å; D195-H204 PolarHBondContact OD1-CE1 3.42Å; D195-H204 IonicContact OD1-NE2 3.49Å; D195-R206 WeakPolarHBondContact OD1-CD 3.11Å; D195-R206 WeakPolarHBondContact OD1-CG 3.09Å; D195-R206 IonicContact OD1-NE 2.61Å; D195-R206 IonicContact OD2-NE 3.76Å
196	I	96.7	Very high	95.6	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	148.7	179	61.7	155.2	0	0	0	110.6	A56 K57 F198 H204 R205 W263 V324	A56-I196 HydrophobicContact CB-CB 4.05Å; A56-I196 HydrophobicContact CB-CG2 4.45Å; K57-I196 CarbonylContact O-C 3.51Å; K57-I196 VanDerWaalsContact O-CA 3.28Å; K57-I196 WeakPolarHBondContact O-CA 3.38Å; I196-F198 HydrophobicContact CD1-CD2 4.48Å; I196-F198 HydrophobicContact CD1-CE2 3.61Å; I196-F198 HydrophobicContact CD1-CZ 3.9Å; I196-H204 WeakPolarHBondContact O-CA 3.47Å; I196-H204 PolarHBondContact O-ND1 2.65Å; I196-R205 HydrophobicContact CD1-CB 4.04Å; I196-R205 HydrophobicContact CG1-CB 3.73Å; I196-R205 PolarHBondContact N-O 3.43Å; I196-R205 PolarHBondContact O-N 3.16Å; I196-W263 HydrophobicContact CD1-CB 3.85Å; I196-W263 HydrophobicContact CD1-CD2 3.39Å; I196-W263 HydrophobicContact CD1-CE3 3.64Å; I196-W263 HydrophobicContact CD1-CG 3.52Å; I196-W263 HydrophobicContact CD1-CZ2 4.45Å; I196-W263 HydrophobicContact CD1-CZ3 4.25Å; I196-W263 HydrophobicContact CG1-CD2 4.12Å; I196-W263 HydrophobicContact CG1-CE3 4.44Å; I196-W263 HydrophobicContact CG1-CG 4.46Å; I196-W263 HydrophobicContact CG1-CZ2 4.32Å; I196-W263 HydrophobicContact CG2-CG 4.46Å; I196-V324 HydrophobicContact CG2-CG1 3.94Å
197	N	97	Very high	95.8	Very high	54 Å²	54	44.3 Å²	44.3	29%	0.289	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	121.1	177.9	-172.2	49	0	0	0	110.7	A56 K57 E199 I203	A56-N197 WeakPolarHBondContact CA-O 3.5Å; K57-N197 PolarHBondContact N-O 3.34Å; K57-N197 PolarHBondContact O-N 3.26Å; N197-E199 WeakPolarHBondContact ND2-CG 3.47Å; N197-I203 PolarHBondContact OD1-O 2.83Å
198	F	96.9	Very high	95.7	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	95.6	169.3	-62	-71.9	0	0	0	108	D54 A56 I196 K200 F201 G202 I203 C265 A328	D54-F198 HydrophobicContact CB-CD1 4.33Å; D54-F198 VanDerWaalsContact OD2-CA 3.3Å; D54-F198 WeakPolarHBondContact OD2-CA 3.46Å; D54-F198 WeakPolarHBondContact OD2-CB 3.45Å; A56-F198 HydrophobicContact CB-CD1 3.86Å; A56-F198 HydrophobicContact CB-CE1 3.51Å; A56-F198 HydrophobicContact CB-CZ 3.93Å; I196-F198 HydrophobicContact CD1-CD2 4.48Å; I196-F198 HydrophobicContact CD1-CE2 3.61Å; I196-F198 HydrophobicContact CD1-CZ 3.9Å; F198-K200 VanDerWaalsContact C-N 3.27Å; F198-K200 PolarHBondContact O-N 3.48Å; F198-F201 HydrophobicContact CB-CD2 4.15Å; F198-F201 PolarHBondContact O-N 2.74Å; F198-G202 PolarHBondContact O-N 3.13Å; F198-I203 HydrophobicContact CD2-CG2 4.5Å; F198-I203 PolarHBondContact N-O 2.8Å; F198-I203 PolarHBondContact O-N 3.13Å; F198-C265 HydrophobicContact CE2-CB 4.38Å; F198-C265 HydrophobicContact CZ-CB 4.46Å; F198-A328 HydrophobicContact CD1-CB 3.48Å; F198-A328 VanDerWaalsContact CD1-CB 3.48Å; F198-A328 HydrophobicContact CD2-CB 3.85Å; F198-A328 HydrophobicContact CE1-CB 3.35Å; F198-A328 HydrophobicContact CE2-CB 3.74Å; F198-A328 HydrophobicContact CG-CB 3.73Å; F198-A328 HydrophobicContact CZ-CB 3.5Å
199	E	95.4	Very high	95.5	Very high	111 Å²	111	40.4 Å²	40.4	52%	0.519	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-36.6	-173	-72.2	-172.8	162.8	0	0	112.4	D54 K57 N197 F201 G202	D54-E199 PolarHBondContact OD2-N 2.92Å; D54-E199 VanDerWaalsContact OD2-N 3.1Å; K57-E199 HydrophobicContact CD-CG 4.47Å; K57-E199 VanDerWaalsContact CD-OE1 3.27Å; K57-E199 WeakPolarHBondContact CD-OE1 3.45Å; K57-E199 WeakPolarHBondContact CE-OE1 3.27Å; K57-E199 WeakPolarHBondContact CE-OE2 3.34Å; K57-E199 IonicContact NZ-OE1 2.83Å; K57-E199 PolarHBondContact NZ-OE1 3.35Å; K57-E199 IonicContact NZ-OE2 2.72Å; K57-E199 PolarHBondContact NZ-OE2 2.82Å; N197-E199 WeakPolarHBondContact ND2-CG 3.47Å; E199-F201 VanDerWaalsContact C-N 3.29Å; E199-F201 PolarHBondContact O-N 2.68Å; E199-G202 PolarHBondContact O-N 2.7Å
200	K	94.4	Very high	95.1	Very high	107 Å²	107	45.8 Å²	45.8	47%	0.465	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-35.7	-177.6	-167.8	173.3	-173.1	171.1	0	112.4	E52 D54 F198	E52-K200 HydrophobicContact CG-CD 4.45Å; E52-K200 WeakPolarHBondContact OE1-CE 3.32Å; E52-K200 IonicContact OE1-NZ 2.66Å; E52-K200 PolarHBondContact OE1-NZ 2.97Å; E52-K200 WeakPolarHBondContact OE2-CE 3.37Å; E52-K200 IonicContact OE2-NZ 2.83Å; D54-K200 HydrophobicContact CB-CB 3.84Å; D54-K200 HydrophobicContact CB-CD 4.21Å; D54-K200 WeakPolarHBondContact OD2-CB 3.13Å; D54-K200 PolarHBondContact OD2-N 3.35Å; F198-K200 VanDerWaalsContact C-N 3.27Å; F198-K200 PolarHBondContact O-N 3.48Å
201	F	94.2	Very high	94.8	Very high	38 Å²	38	52 Å²	52	17%	0.167	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-6.4	-179.8	-52.6	-53	0	0	0	113.4	E52 D54 F198 E199 I203 L267 A328 K330	E52-F201 VanDerWaalsContact O-CZ 3.23Å; E52-F201 WeakPolarHBondContact O-CZ 3.3Å; D54-F201 HydrophobicContact CB-CD2 3.81Å; D54-F201 HydrophobicContact CB-CE2 3.33Å; D54-F201 HydrophobicContact CB-CZ 4Å; F198-F201 HydrophobicContact CB-CD2 4.15Å; F198-F201 PolarHBondContact O-N 2.74Å; E199-F201 VanDerWaalsContact C-N 3.29Å; E199-F201 PolarHBondContact O-N 2.68Å; F201-I203 VanDerWaalsContact C-N 3.26Å; F201-I203 HydrophobicContact CB-CD1 3.89Å; F201-I203 HydrophobicContact CB-CG1 4.26Å; F201-I203 PolarHBondContact O-N 2.95Å; F201-L267 HydrophobicContact CB-CD1 4.04Å; F201-L267 HydrophobicContact CD2-CD1 3.36Å; F201-L267 HydrophobicContact CE2-CD1 4Å; F201-L267 HydrophobicContact CG-CD1 3.8Å; F201-A328 HydrophobicContact CD2-CB 4.17Å; F201-A328 HydrophobicContact CE2-CB 4.09Å; F201-K330 HydrophobicContact CD1-CB 4.13Å; F201-K330 HydrophobicContact CD1-CD 4.11Å; F201-K330 HydrophobicContact CE1-CB 3.78Å; F201-K330 HydrophobicContact CE2-CB 4.45Å; F201-K330 HydrophobicContact CZ-CB 3.98Å
202	G	94.3	Very high	94.6	Very high	64 Å²	64	51.1 Å²	51.1	66%	0.66	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	29.2	-176.1	0	0	0	0	0	113.4	F198 E199	F198-G202 PolarHBondContact O-N 3.13Å; E199-G202 PolarHBondContact O-N 2.7Å
203	I	94.6	Very high	94.4	Very high	26 Å²	26	54 Å²	54	13%	0.133	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	120	-175.1	-69.4	163.8	0	0	0	110.1	N197 F198 F201 R205 L267 V271	N197-I203 PolarHBondContact OD1-O 2.83Å; F198-I203 HydrophobicContact CD2-CG2 4.5Å; F198-I203 PolarHBondContact N-O 2.8Å; F198-I203 PolarHBondContact O-N 3.13Å; F201-I203 VanDerWaalsContact C-N 3.26Å; F201-I203 HydrophobicContact CB-CD1 3.89Å; F201-I203 HydrophobicContact CB-CG1 4.26Å; F201-I203 PolarHBondContact O-N 2.95Å; I203-R205 HydrophobicContact CG2-CG 4.16Å; I203-L267 HydrophobicContact CD1-CD1 3.61Å; I203-L267 HydrophobicContact CD1-CD2 3.93Å; I203-L267 HydrophobicContact CD1-CG 4.28Å; I203-V271 HydrophobicContact CD1-CG2 4.19Å; I203-V271 HydrophobicContact CG2-CG1 4.02Å
204	H	94.9	Very high	94.2	Very high	109 Å²	109	59 Å²	59	51%	0.505	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	133.9	172.7	172.6	59.1	0	0	0	110.6	D195 I196	D195-H204 IonicContact OD1-CE1 3.73Å; D195-H204 PolarHBondContact OD1-CE1 3.42Å; D195-H204 IonicContact OD1-NE2 3.49Å; I196-H204 WeakPolarHBondContact O-CA 3.47Å; I196-H204 PolarHBondContact O-ND1 2.65Å
205	R	95.2	Very high	94	Very high	18 Å²	18	67 Å²	67	7%	0.068	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	157.4	175.6	-69.6	-68.5	-75.5	161.1	1.3	111.4	I196 I203 W263 V271 C274 N275	I196-R205 HydrophobicContact CD1-CB 4.04Å; I196-R205 HydrophobicContact CG1-CB 3.73Å; I196-R205 PolarHBondContact N-O 3.43Å; I196-R205 PolarHBondContact O-N 3.16Å; I203-R205 HydrophobicContact CG2-CG 4.16Å; R205-W263 HydrophobicContact CB-CH2 4.22Å; R205-W263 HydrophobicContact CB-CZ3 4.01Å; R205-V271 HydrophobicContact CG-CG1 4.23Å; R205-V271 PolarHBondContact NE-O 3.4Å; R205-C274 PolarHBondContact NE-O 2.92Å; R205-C274 VanDerWaalsContact NE-O 3.13Å; R205-C274 PolarHBondContact NH2-O 3.14Å; R205-N275 PolarHBondContact NH2-OD1 2.96Å
206	R	95.2	Very high	93.9	Very high	88 Å²	88	66 Å²	66	33%	0.332	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	144.1	179.6	-171.2	177	-178.7	-140.9	-5.6	109.6	N194 D195 I208	N194-R206 WeakPolarHBondContact O-CA 3.43Å; N194-R206 WeakPolarHBondContact O-CG 3.17Å; D195-R206 WeakPolarHBondContact OD1-CD 3.11Å; D195-R206 WeakPolarHBondContact OD1-CG 3.09Å; D195-R206 IonicContact OD1-NE 2.61Å; D195-R206 IonicContact OD2-NE 3.76Å; R206-I208 VanDerWaalsContact C-N 3.27Å; R206-I208 PolarHBondContact O-N 3.42Å
207	N	95.8	Very high	93.7	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	34%	0.339	C	S	.	.	S	Bend	trans	-65.9	-30.4	-178.6	72.4	-41.6	0	0	0	113.9	I192 N194 Q209 W263 P276 Y278	I192-N207 PolarHBondContact O-ND2 3.14Å; N194-N207 HydrophobicContact CB-CB 4.34Å; N194-N207 PolarHBondContact N-OD1 3.03Å; N194-N207 PolarHBondContact O-N 3.08Å; N194-N207 PolarHBondContact O-OD1 2.97Å; N207-Q209 PolarHBondContact O-N 3.45Å; N207-W263 HydrophobicContact CB-CH2 4.44Å; N207-W263 HydrophobicContact CB-CZ2 3.98Å; N207-P276 HydrophobicContact CB-CG 3.96Å; N207-Y278 VanDerWaalsContact CB-OH 3.29Å; N207-Y278 WeakPolarHBondContact CB-OH 3.18Å; N207-Y278 PolarHBondContact ND2-OH 3.15Å; N207-Y278 VanDerWaalsContact ND2-OH 3.14Å
208	I	94.4	Very high	93.5	Very high	18 Å²	18	76.4 Å²	76.4	9%	0.092	36%	0.364	C	S	.	.	S	Bend	trans	-73.7	109.4	172.5	-50.6	-162.2	0	0	0	108.5	K193 R206 A212 L217 P233	K193-I208 HydrophobicContact CG-CD1 4.32Å; R206-I208 VanDerWaalsContact C-N 3.27Å; R206-I208 PolarHBondContact O-N 3.42Å; I208-A212 HydrophobicContact CG2-CB 3.94Å; I208-L217 HydrophobicContact CG2-CD1 4.41Å; I208-L217 HydrophobicContact CG2-CD2 4.36Å; I208-P233 HydrophobicContact CD1-CB 4.47Å; I208-P233 HydrophobicContact CD1-CG 4.04Å; I208-P233 HydrophobicContact CG1-CB 4.13Å; I208-P233 HydrophobicContact CG1-CG 3.96Å
209	Q	91.2	Very high	93.3	Very high	14 Å²	14	81.5 Å²	81.5	7%	0.065	40%	0.395	C	S	.	.			trans	-61.8	149.1	-177.4	-60.6	-61.6	-29.9	0	0	112.8	N207 W211 A212 F231 N275	N207-Q209 PolarHBondContact O-N 3.45Å; Q209-W211 HydrophobicContact CB-CD2 3.98Å; Q209-W211 VanDerWaalsContact CB-CE2 3.45Å; Q209-W211 HydrophobicContact CB-CG 4.14Å; Q209-W211 HydrophobicContact CB-CZ2 3.88Å; Q209-W211 VanDerWaalsContact CB-NE1 3.31Å; Q209-W211 HydrophobicContact CG-CZ2 3.78Å; Q209-W211 PolarHBondContact O-N 2.81Å; Q209-A212 WeakPolarHBondContact O-CB 3.45Å; Q209-A212 PolarHBondContact O-N 2.01Å; Q209-F231 HydrophobicContact CG-CB 3.9Å; Q209-F231 HydrophobicContact CG-CG 4.23Å; Q209-N275 PolarHBondContact NE2-OD1 2.81Å; Q209-N275 PolarHBondContact OE1-OD1 2.86Å
210	N	88.6	Confident	93.3	Very high	150 Å²	150	76.4 Å²	76.4	80%	0.802	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-28.1	-178.6	-70.3	-15.5	0	0	0	113.3	A212	N210-A212 VanDerWaalsContact C-N 3.31Å
211	W	90.4	Very high	93.4	Very high	129 Å²	129	75 Å²	75	49%	0.489	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-10.1	176.1	55.8	-102.5	0	0	0	113.4	Q209 S213 F216 E228 F231	Q209-W211 HydrophobicContact CB-CD2 3.98Å; Q209-W211 VanDerWaalsContact CB-CE2 3.45Å; Q209-W211 HydrophobicContact CB-CG 4.14Å; Q209-W211 HydrophobicContact CB-CZ2 3.88Å; Q209-W211 VanDerWaalsContact CB-NE1 3.31Å; Q209-W211 HydrophobicContact CG-CZ2 3.78Å; Q209-W211 PolarHBondContact O-N 2.81Å; W211-S213 PolarHBondContact O-N 2.88Å; W211-F216 HydrophobicContact CH2-CE1 4.37Å; W211-F216 HydrophobicContact CH2-CE2 4.32Å; W211-F216 HydrophobicContact CH2-CZ 4.01Å; W211-F216 HydrophobicContact CZ3-CD1 4.44Å; W211-F216 HydrophobicContact CZ3-CD2 4.3Å; W211-F216 HydrophobicContact CZ3-CE1 4.26Å; W211-F216 HydrophobicContact CZ3-CE2 4.12Å; W211-F216 HydrophobicContact CZ3-CG 4.46Å; W211-F216 HydrophobicContact CZ3-CZ 4.09Å; W211-E228 HydrophobicContact CH2-CB 4.38Å; W211-F231 HydrophobicContact CZ2-CB 4.31Å; W211-F231 HydrophobicContact CZ2-CD2 4Å
212	A	91.2	Very high	93.5	Very high	22 Å²	22	73.8 Å²	73.8	18%	0.182	36%	0.364	C	S	.	.			trans	-68.9	114.8	-176.5	0	0	0	0	0	111.1	I208 Q209 N210 F216	I208-A212 HydrophobicContact CG2-CB 3.94Å; Q209-A212 WeakPolarHBondContact O-CB 3.45Å; Q209-A212 PolarHBondContact O-N 2.01Å; N210-A212 VanDerWaalsContact C-N 3.31Å; A212-F216 HydrophobicContact CB-CD1 3.88Å; A212-F216 HydrophobicContact CB-CE1 4.28Å
213	S	92.8	Very high	93.6	Very high	60 Å²	60	74.1 Å²	74.1	42%	0.42	35%	0.35	S	S	.	.			trans	-85.1	163.2	178	72.3	0	0	0	0	112.5	W211 K215 F216 L217	W211-S213 PolarHBondContact O-N 2.88Å; S213-K215 PolarHBondContact O-N 3.49Å; S213-K215 PolarHBondContact OG-N 3.32Å; S213-F216 WeakPolarHBondContact O-CB 3.29Å; S213-F216 PolarHBondContact O-N 3.26Å; S213-F216 PolarHBondContact OG-N 2.91Å; S213-F216 VanDerWaalsContact OG-N 3.12Å; S213-L217 PolarHBondContact O-N 3.19Å
214	K	92	Very high	93.5	Very high	184 Å²	184	78.9 Å²	78.9	80%	0.8	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-28.8	170.2	-69.3	-178	-177.6	174.9	0	112.6	R218	K214-R218 WeakPolarHBondContact O-CG 3.45Å; K214-R218 PolarHBondContact O-N 3.34Å
215	K	93.5	Very high	93.4	Very high	168 Å²	168	79.6 Å²	79.6	73%	0.73	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-44.2	176.7	-175.1	-178.5	177	-175	0	110.8	S213 R218 T219	S213-K215 PolarHBondContact O-N 3.49Å; S213-K215 PolarHBondContact OG-N 3.32Å; K215-R218 PolarHBondContact O-N 3.37Å; K215-T219 PolarHBondContact O-OG1 3.34Å
216	F	93.1	Very high	93.3	Very high	26 Å²	26	81.2 Å²	81.2	11%	0.114	39%	0.392	C	S	.	.	H	α-helix	trans	-57.4	-52.5	173.5	174.4	-101.5	0	0	0	110.7	W211 A212 S213 R218 T219 C220 C232	W211-F216 HydrophobicContact CH2-CE1 4.37Å; W211-F216 HydrophobicContact CH2-CE2 4.32Å; W211-F216 HydrophobicContact CH2-CZ 4.01Å; W211-F216 HydrophobicContact CZ3-CD1 4.44Å; W211-F216 HydrophobicContact CZ3-CD2 4.3Å; W211-F216 HydrophobicContact CZ3-CE1 4.26Å; W211-F216 HydrophobicContact CZ3-CE2 4.12Å; W211-F216 HydrophobicContact CZ3-CG 4.46Å; W211-F216 HydrophobicContact CZ3-CZ 4.09Å; A212-F216 HydrophobicContact CB-CD1 3.88Å; A212-F216 HydrophobicContact CB-CE1 4.28Å; S213-F216 WeakPolarHBondContact O-CB 3.29Å; S213-F216 PolarHBondContact O-N 3.26Å; S213-F216 PolarHBondContact OG-N 2.91Å; S213-F216 VanDerWaalsContact OG-N 3.12Å; F216-R218 PolarHBondContact O-N 2.88Å; F216-T219 PolarHBondContact O-N 2.97Å; F216-T219 PolarHBondContact O-OG1 2.9Å; F216-C220 HydrophobicContact CD1-CB 4.22Å; F216-C220 HydrophobicContact CD2-CB 3.87Å; F216-C220 HydrophobicContact CE1-CB 3.92Å; F216-C220 VanDerWaalsContact CE1-SG 3.53Å; F216-C220 HydrophobicContact CE2-CB 3.53Å; F216-C220 HydrophobicContact CG-CB 4.2Å; F216-C220 HydrophobicContact CZ-CB 3.57Å; F216-C220 WeakPolarHBondContact O-CB 3.25Å; F216-C220 PolarHBondContact O-N 3.1Å; F216-C232 HydrophobicContact CE1-CB 4.44Å; F216-C232 HydrophobicContact CZ-CB 4.06Å
217	L	92.9	Very high	93.1	Very high	53 Å²	53	81 Å²	81	28%	0.277	40%	0.402	S	S	.	.	H	α-helix	trans	-63.7	-12	179.7	-67	178.5	0	0	0	115.2	I208 S213 P233 I234	I208-L217 HydrophobicContact CG2-CD1 4.41Å; I208-L217 HydrophobicContact CG2-CD2 4.36Å; S213-L217 PolarHBondContact O-N 3.19Å; L217-P233 HydrophobicContact CD2-CG 3.69Å; L217-I234 WeakPolarHBondContact O-CD1 3.28Å
218	R	92.1	Very high	92.9	Very high	219 Å²	219	86.7 Å²	86.7	83%	0.826	43%	0.429	S	S	*	.	H	α-helix	trans	-89.1	-18.9	174.4	-79.4	178.1	175.8	-173.4	-1.2	113.3	K214 K215 F216	K214-R218 WeakPolarHBondContact O-CG 3.45Å; K214-R218 PolarHBondContact O-N 3.34Å; K215-R218 PolarHBondContact O-N 3.37Å; F216-R218 PolarHBondContact O-N 2.88Å
219	T	93.5	Very high	92.9	Very high	107 Å²	107	87.9 Å²	87.9	66%	0.656	44%	0.435	S	S	*	.	H	α-helix	trans	-126.8	-22.3	-168.3	50.7	0	0	0	0	113.3	K215 F216	K215-T219 PolarHBondContact O-OG1 3.34Å; F216-T219 PolarHBondContact O-N 2.97Å; F216-T219 PolarHBondContact O-OG1 2.9Å
220	C	95.7	Very high	93	Very high	5 Å²	5	92.9 Å²	92.9	3%	0.034	45%	0.454	C	S	.	.			trans	-68.1	142.3	-179.7	82.5	0	0	0	0	110.8	F216 C232	F216-C220 HydrophobicContact CD1-CB 4.22Å; F216-C220 HydrophobicContact CD2-CB 3.87Å; F216-C220 HydrophobicContact CE1-CB 3.92Å; F216-C220 VanDerWaalsContact CE1-SG 3.53Å; F216-C220 HydrophobicContact CE2-CB 3.53Å; F216-C220 HydrophobicContact CG-CB 4.2Å; F216-C220 HydrophobicContact CZ-CB 3.57Å; F216-C220 WeakPolarHBondContact O-CB 3.25Å; F216-C220 PolarHBondContact O-N 3.1Å; C220-C232 HydrophobicContact CB-CB 3.7Å; C220-C232 WeakPolarHBondContact CB-SG 3.5Å; C220-C232 PolarHBondContact O-SG 2.74Å; C220-C232 VanDerWaalsContact O-SG 3.33Å; C220-C232 WeakPolarHBondContact SG-CB 3.44Å; C220-C232 CovalentContact SG-SG 2.05Å; C220-C232 PolarHBondContact SG-SG 3.12Å
221	L	95.8	Very high	93.3	Very high	77 Å²	77	87.2 Å²	87.2	40%	0.403	42%	0.422	S	S	.	.			trans	-131.1	135.4	167.3	-70.5	173.6	0	0	0	106.5	T189 N223 N229 I234	T189-L221 HydrophobicContact CG2-CD2 4.19Å; L221-N223 PolarHBondContact O-N 3.29Å; L221-N229 WeakPolarHBondContact O-CB 3.03Å; L221-I234 HydrophobicContact CD2-CG2 4.18Å
222	Y	96.8	Very high	93.6	Very high	13 Å²	13	81.1 Å²	81.1	5%	0.051	40%	0.399	C	S	.	.			trans	-54.2	129.4	-180	174.1	-98.2	0	0	0	111.3	K224 N229 R230 I234 F235 Y278 F280	Y222-K224 HydrophobicContact CE1-CB 4.34Å; Y222-N229 WeakPolarHBondContact CA-O 3.4Å; Y222-R230 WeakPolarHBondContact CE2-O 3.33Å; Y222-I234 WeakPolarHBondContact CB-O 3.42Å; Y222-I234 PolarHBondContact N-O 2.97Å; Y222-F235 VanDerWaalsContact CB-CD1 3.43Å; Y222-F235 AromaticContact CD1-CD1 3.68Å; Y222-F235 HydrophobicContact CD1-CD1 3.68Å; Y222-F235 AromaticContact CD1-CE1 3.78Å; Y222-F235 HydrophobicContact CD1-CE1 3.78Å; Y222-F235 HydrophobicContact CD2-CD1 4.1Å; Y222-F235 AromaticContact CD2-CE1 3.46Å; Y222-F235 HydrophobicContact CD2-CE1 3.46Å; Y222-F235 VanDerWaalsContact CD2-CE1 3.46Å; Y222-F235 HydrophobicContact CD2-CZ 4.25Å; Y222-F235 HydrophobicContact CE1-CD1 4.48Å; Y222-F235 HydrophobicContact CE1-CE1 4.29Å; Y222-F235 HydrophobicContact CE2-CE1 4.01Å; Y222-F235 AromaticContact CG-CD1 3.44Å; Y222-F235 HydrophobicContact CG-CD1 3.44Å; Y222-F235 VanDerWaalsContact CG-CD1 3.44Å; Y222-F235 AromaticContact CG-CE1 3.31Å; Y222-F235 HydrophobicContact CG-CE1 3.31Å; Y222-F235 HydrophobicContact CG-CZ 4.39Å; Y222-Y278 HydrophobicContact CD2-CD2 4.15Å; Y222-Y278 AromaticContact CE2-CD2 3.58Å; Y222-Y278 HydrophobicContact CE2-CD2 3.58Å; Y222-Y278 HydrophobicContact CE2-CE2 4.41Å; Y222-Y278 HydrophobicContact CE2-CG 4.22Å; Y222-F280 HydrophobicContact CD1-CE2 4.33Å; Y222-F280 HydrophobicContact CD1-CZ 4.37Å; Y222-F280 AromaticContact CE1-CE2 3.74Å; Y222-F280 HydrophobicContact CE1-CE2 3.74Å; Y222-F280 HydrophobicContact CE1-CZ 4.12Å
223	N	95.5	Very high	93.8	Very high	70 Å²	70	80.1 Å²	80.1	37%	0.374	39%	0.39	S	S	.	.			trans	-145.1	119	171	-178.6	-14.9	0	0	0	108.9	L221 T225 D226 N229 R230	L221-N223 PolarHBondContact O-N 3.29Å; N223-T225 VanDerWaalsContact C-N 3.26Å; N223-T225 PolarHBondContact O-N 3.09Å; N223-T225 PolarHBondContact OD1-N 3.28Å; N223-T225 PolarHBondContact OD1-OG1 3.22Å; N223-D226 HydrophobicContact CB-CB 4.14Å; N223-D226 PolarHBondContact O-N 3.35Å; N223-N229 HydrophobicContact CB-CB 4.19Å; N223-N229 PolarHBondContact N-O 3.1Å; N223-N229 CarbonylContact O-C 3.59Å; N223-R230 VanDerWaalsContact O-CA 3.26Å; N223-R230 WeakPolarHBondContact O-CA 3.4Å; N223-R230 PolarHBondContact O-N 3.44Å; N223-R230 VanDerWaalsContact O-N 3.09Å
224	K	92.4	Very high	94	Very high	127 Å²	127	78.4 Å²	78.4	55%	0.552	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-31.9	-177.9	-171.1	172.2	-175	169	0	114	Y222	Y222-K224 HydrophobicContact CE1-CB 4.34Å
225	T	92.6	Very high	94.3	Very high	124 Å²	124	69.7 Å²	69.7	76%	0.761	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-22	-175.6	60.8	0	0	0	0	113.4	N223	N223-T225 VanDerWaalsContact C-N 3.26Å; N223-T225 PolarHBondContact O-N 3.09Å; N223-T225 PolarHBondContact OD1-N 3.28Å; N223-T225 PolarHBondContact OD1-OG1 3.22Å
226	D	93.2	Very high	94.5	Very high	52 Å²	52	64.1 Å²	64.1	28%	0.278	32%	0.315	S	S	.	.	S	Bend	trans	-88.9	131.5	-174.6	-178.4	-98.8	0	0	0	111.6	N223 E228 N229 R230	N223-D226 HydrophobicContact CB-CB 4.14Å; N223-D226 PolarHBondContact O-N 3.35Å; D226-E228 VanDerWaalsContact C-N 3.3Å; D226-E228 PolarHBondContact O-N 2.81Å; D226-E228 PolarHBondContact OD1-N 2.94Å; D226-N229 HydrophobicContact CB-CB 3.98Å; D226-N229 VanDerWaalsContact OD1-CB 3.25Å; D226-N229 WeakPolarHBondContact OD1-CB 3.46Å; D226-N229 PolarHBondContact OD1-N 3.48Å; D226-N229 PolarHBondContact OD1-ND2 2.93Å; D226-R230 WeakPolarHBondContact O-CB 3.4Å; D226-R230 WeakPolarHBondContact O-CG 2.96Å; D226-R230 PolarHBondContact O-N 3.46Å; D226-R230 VanDerWaalsContact O-N 3.1Å
227	P	91.8	Very high	94.6	Very high	83 Å²	83	62.9 Å²	62.9	54%	0.539	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-30.6	-173.9	-26.1	34.5	0	0	0	115.7	R230 F231	P227-R230 PolarHBondContact O-NE 3.45Å; P227-R230 PolarHBondContact O-NH2 3.43Å; P227-F231 WeakPolarHBondContact O-CE2 3.17Å
228	E	91.4	Very high	94.7	Very high	119 Å²	119	60.3 Å²	60.3	56%	0.556	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-46.7	-179.4	-66.7	-171.4	173.5	0	0	111.4	W211 D226 R230 F231	W211-E228 HydrophobicContact CH2-CB 4.38Å; D226-E228 VanDerWaalsContact C-N 3.3Å; D226-E228 PolarHBondContact O-N 2.81Å; D226-E228 PolarHBondContact OD1-N 2.94Å; E228-R230 PolarHBondContact O-N 2.89Å; E228-F231 PolarHBondContact O-N 3.17Å; E228-F231 VanDerWaalsContact O-N 3.11Å
229	N	94.1	Very high	94.9	Very high	43 Å²	43	51.5 Å²	51.5	23%	0.23	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-71.5	-15.3	-175.8	-69.7	-56.7	0	0	0	113.5	L221 Y222 N223 D226 F231 C232	L221-N229 WeakPolarHBondContact O-CB 3.03Å; Y222-N229 WeakPolarHBondContact CA-O 3.4Å; N223-N229 HydrophobicContact CB-CB 4.19Å; N223-N229 PolarHBondContact N-O 3.1Å; N223-N229 CarbonylContact O-C 3.59Å; D226-N229 HydrophobicContact CB-CB 3.98Å; D226-N229 VanDerWaalsContact OD1-CB 3.25Å; D226-N229 WeakPolarHBondContact OD1-CB 3.46Å; D226-N229 PolarHBondContact OD1-N 3.48Å; D226-N229 PolarHBondContact OD1-ND2 2.93Å; N229-F231 PolarHBondContact O-N 3.25Å; N229-F231 VanDerWaalsContact O-N 3.14Å; N229-C232 VanDerWaalsContact O-CB 3.27Å; N229-C232 WeakPolarHBondContact O-CB 3.3Å; N229-C232 PolarHBondContact O-N 2.94Å
230	R	94.5	Very high	95	Very high	120 Å²	120	46.5 Å²	46.5	45%	0.453	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-59.4	-21	168.1	66.9	-179.7	161.1	175.2	-6.7	113.5	Y222 N223 D226 P227 E228	Y222-R230 WeakPolarHBondContact CE2-O 3.33Å; N223-R230 VanDerWaalsContact O-CA 3.26Å; N223-R230 WeakPolarHBondContact O-CA 3.4Å; N223-R230 PolarHBondContact O-N 3.44Å; N223-R230 VanDerWaalsContact O-N 3.09Å; D226-R230 WeakPolarHBondContact O-CB 3.4Å; D226-R230 WeakPolarHBondContact O-CG 2.96Å; D226-R230 PolarHBondContact O-N 3.46Å; D226-R230 VanDerWaalsContact O-N 3.1Å; P227-R230 PolarHBondContact O-NE 3.45Å; P227-R230 PolarHBondContact O-NH2 3.43Å; E228-R230 PolarHBondContact O-N 2.89Å
231	F	93.7	Very high	95	Very high	31 Å²	31	46.6 Å²	46.6	14%	0.136	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-100.4	2.3	175.9	-53.8	-64.2	0	0	0	113	Q209 W211 P227 E228 N229 P233 N275	Q209-F231 HydrophobicContact CG-CB 3.9Å; Q209-F231 HydrophobicContact CG-CG 4.23Å; W211-F231 HydrophobicContact CZ2-CB 4.31Å; W211-F231 HydrophobicContact CZ2-CD2 4Å; P227-F231 WeakPolarHBondContact O-CE2 3.17Å; E228-F231 PolarHBondContact O-N 3.17Å; E228-F231 VanDerWaalsContact O-N 3.11Å; N229-F231 PolarHBondContact O-N 3.25Å; N229-F231 VanDerWaalsContact O-N 3.14Å; F231-P233 WeakPolarHBondContact O-CD 3.44Å; F231-N275 HydrophobicContact CD1-CB 4.34Å; F231-N275 HydrophobicContact CE1-CB 3.71Å
232	C	96.6	Very high	95	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.244	C	C	.	.			trans	-67.3	126.3	177.5	179.6	0	0	0	0	109.6	F216 C220 N229 I234	F216-C232 HydrophobicContact CE1-CB 4.44Å; F216-C232 HydrophobicContact CZ-CB 4.06Å; C220-C232 HydrophobicContact CB-CB 3.7Å; C220-C232 WeakPolarHBondContact CB-SG 3.5Å; C220-C232 PolarHBondContact O-SG 2.74Å; C220-C232 VanDerWaalsContact O-SG 3.33Å; C220-C232 WeakPolarHBondContact SG-CB 3.44Å; C220-C232 CovalentContact SG-SG 2.05Å; C220-C232 PolarHBondContact SG-SG 3.12Å; N229-C232 VanDerWaalsContact O-CB 3.27Å; N229-C232 WeakPolarHBondContact O-CB 3.3Å; N229-C232 PolarHBondContact O-N 2.94Å; C232-I234 PolarHBondContact O-N 2.86Å
233	P	96.4	Very high	94.9	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.006	26%	0.256	C	S	.	.	S	Bend	trans	-80.9	6.2	-179.2	35.5	-39.2	0	0	0	113.3	L191 I192 I208 L217 F231 F235	L191-P233 WeakPolarHBondContact CA-O 3.26Å; L191-P233 HydrophobicContact CD1-CB 3.91Å; L191-P233 HydrophobicContact CD1-CG 3.78Å; I192-P233 PolarHBondContact N-O 3.2Å; I192-P233 VanDerWaalsContact O-CB 3.32Å; I192-P233 WeakPolarHBondContact O-CB 3.09Å; I208-P233 HydrophobicContact CD1-CB 4.47Å; I208-P233 HydrophobicContact CD1-CG 4.04Å; I208-P233 HydrophobicContact CG1-CB 4.13Å; I208-P233 HydrophobicContact CG1-CG 3.96Å; L217-P233 HydrophobicContact CD2-CG 3.69Å; F231-P233 WeakPolarHBondContact O-CD 3.44Å; P233-F235 WeakPolarHBondContact O-CE2 3.22Å
234	I	97.3	Very high	94.9	Very high	25 Å²	25	48.5 Å²	48.5	13%	0.128	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	114.4	-176	-57.5	175.4	0	0	0	108.5	T189 L190 L191 L217 L221 Y222 C232	T189-I234 HydrophobicContact CG2-CG2 4.27Å; L190-I234 CarbonylContact O-C 3.57Å; L190-I234 WeakPolarHBondContact O-CA 3.32Å; L191-I234 HydrophobicContact CB-CG1 4.49Å; L191-I234 HydrophobicContact CD1-CG1 3.81Å; L217-I234 WeakPolarHBondContact O-CD1 3.28Å; L221-I234 HydrophobicContact CD2-CG2 4.18Å; Y222-I234 WeakPolarHBondContact CB-O 3.42Å; Y222-I234 PolarHBondContact N-O 2.97Å; C232-I234 PolarHBondContact O-N 2.86Å
235	F	97.6	Very high	94.9	Very high	1 Å²	1	49.5 Å²	49.5	0%	0.004	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	132	-177.5	-56.1	-89	0	0	0	109.5	T189 L190 I192 Y222 P233 I240 Y278 F280	T189-F235 CarbonylContact C-O 3.57Å; T189-F235 VanDerWaalsContact CA-O 3.28Å; T189-F235 WeakPolarHBondContact CA-O 3.27Å; L190-F235 PolarHBondContact N-O 2.9Å; L190-F235 PolarHBondContact O-N 3.19Å; I192-F235 HydrophobicContact CB-CE2 4.13Å; I192-F235 HydrophobicContact CD1-CD2 3.86Å; I192-F235 HydrophobicContact CD1-CE2 3.74Å; I192-F235 HydrophobicContact CG1-CD2 3.98Å; I192-F235 HydrophobicContact CG1-CE2 3.94Å; Y222-F235 VanDerWaalsContact CB-CD1 3.43Å; Y222-F235 AromaticContact CD1-CD1 3.68Å; Y222-F235 HydrophobicContact CD1-CD1 3.68Å; Y222-F235 AromaticContact CD1-CE1 3.78Å; Y222-F235 HydrophobicContact CD1-CE1 3.78Å; Y222-F235 HydrophobicContact CD2-CD1 4.1Å; Y222-F235 AromaticContact CD2-CE1 3.46Å; Y222-F235 HydrophobicContact CD2-CE1 3.46Å; Y222-F235 VanDerWaalsContact CD2-CE1 3.46Å; Y222-F235 HydrophobicContact CD2-CZ 4.25Å; Y222-F235 HydrophobicContact CE1-CD1 4.48Å; Y222-F235 HydrophobicContact CE1-CE1 4.29Å; Y222-F235 HydrophobicContact CE2-CE1 4.01Å; Y222-F235 AromaticContact CG-CD1 3.44Å; Y222-F235 HydrophobicContact CG-CD1 3.44Å; Y222-F235 VanDerWaalsContact CG-CD1 3.44Å; Y222-F235 AromaticContact CG-CE1 3.31Å; Y222-F235 HydrophobicContact CG-CE1 3.31Å; Y222-F235 HydrophobicContact CG-CZ 4.39Å; P233-F235 WeakPolarHBondContact O-CE2 3.22Å; F235-I240 HydrophobicContact CB-CD1 3.82Å; F235-I240 HydrophobicContact CB-CG1 4.11Å; F235-Y278 HydrophobicContact CE1-CD1 4.25Å; F235-Y278 HydrophobicContact CE1-CD2 4.22Å; F235-Y278 HydrophobicContact CE1-CG 4.03Å; F235-Y278 HydrophobicContact CE2-CE1 4.47Å; F235-Y278 AromaticContact CZ-CD1 3.74Å; F235-Y278 HydrophobicContact CZ-CD1 3.74Å; F235-Y278 HydrophobicContact CZ-CD2 4.04Å; F235-Y278 AromaticContact CZ-CE1 3.73Å; F235-Y278 HydrophobicContact CZ-CE1 3.73Å; F235-Y278 HydrophobicContact CZ-CE2 4.01Å; F235-Y278 AromaticContact CZ-CG 3.89Å; F235-Y278 HydrophobicContact CZ-CG 3.89Å; F235-Y278 AromaticContact CZ-CZ 3.86Å; F235-F280 HydrophobicContact CD1-CE1 4.13Å; F235-F280 AromaticContact CD1-CZ 3.58Å; F235-F280 HydrophobicContact CD1-CZ 3.58Å; F235-F280 HydrophobicContact CE1-CE1 4.36Å; F235-F280 AromaticContact CE1-CZ 3.69Å; F235-F280 HydrophobicContact CE1-CZ 3.69Å
236	Q	96.7	Very high	94.8	Very high	50 Å²	50	45 Å²	45	23%	0.234	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	134.7	166.6	-174.2	171.3	-3.2	0	0	108.7	N187 Y188 G238 T239 I240	N187-Q236 PolarHBondContact OD1-NE2 2.98Å; Y188-Q236 WeakPolarHBondContact O-CA 3.34Å; Q236-G238 VanDerWaalsContact C-N 3.27Å; Q236-G238 PolarHBondContact O-N 3.18Å; Q236-T239 WeakPolarHBondContact O-CB 3.38Å; Q236-T239 PolarHBondContact O-N 3.48Å; Q236-T239 VanDerWaalsContact O-N 3.1Å; Q236-I240 PolarHBondContact O-N 2.82Å
237	F	96.5	Very high	94.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59	-38.5	-179.2	-78.9	-9.9	0	0	0	112.8	V64 L98 V100 V185 Y188 L190 T239 I240 F241 F320	V64-F237 HydrophobicContact CG1-CE2 4.25Å; V64-F237 HydrophobicContact CG1-CZ 4.16Å; V64-F237 HydrophobicContact CG2-CZ 4.04Å; L98-F237 HydrophobicContact CD1-CZ 4.31Å; V100-F237 HydrophobicContact CB-CE2 4.35Å; V100-F237 HydrophobicContact CG1-CE2 4.09Å; V100-F237 HydrophobicContact CG2-CE2 3.53Å; V100-F237 HydrophobicContact CG2-CZ 3.63Å; V185-F237 HydrophobicContact CG1-CD2 3.79Å; V185-F237 HydrophobicContact CG1-CE2 4.34Å; V185-F237 WeakPolarHBondContact O-CB 3.04Å; V185-F237 VanDerWaalsContact O-CD2 3.31Å; V185-F237 WeakPolarHBondContact O-CD2 3.49Å; Y188-F237 HydrophobicContact CD2-CE2 4.37Å; Y188-F237 PolarHBondContact O-N 2.88Å; L190-F237 HydrophobicContact CB-CD1 4.17Å; L190-F237 HydrophobicContact CB-CE1 3.52Å; L190-F237 HydrophobicContact CB-CZ 4.28Å; L190-F237 HydrophobicContact CD2-CE1 4.06Å; L190-F237 HydrophobicContact CG-CE1 4.32Å; F237-T239 VanDerWaalsContact C-N 3.32Å; F237-T239 PolarHBondContact O-N 2.51Å; F237-I240 HydrophobicContact CD1-CD1 4.08Å; F237-I240 WeakPolarHBondContact O-CB 3.45Å; F237-I240 PolarHBondContact O-N 3.3Å; F237-I240 VanDerWaalsContact O-N 3.09Å; F237-F241 HydrophobicContact CB-CD2 4.39Å; F237-F241 HydrophobicContact CB-CE2 3.66Å; F237-F241 HydrophobicContact CB-CZ 3.78Å; F237-F241 HydrophobicContact CD2-CZ 4.49Å; F237-F241 HydrophobicContact CG-CZ 4.27Å; F237-F241 WeakPolarHBondContact O-CD2 3.19Å; F237-F241 WeakPolarHBondContact O-CG 3.16Å; F237-F241 PolarHBondContact O-N 2.86Å; F237-F320 HydrophobicContact CD1-CE1 4.39Å; F237-F320 AromaticContact CD1-CZ 3.96Å; F237-F320 HydrophobicContact CD1-CZ 3.96Å; F237-F320 HydrophobicContact CD2-CZ 4.47Å; F237-F320 HydrophobicContact CE1-CE1 4.35Å; F237-F320 AromaticContact CE1-CE2 4Å; F237-F320 HydrophobicContact CE1-CE2 4Å; F237-F320 AromaticContact CE1-CZ 3.82Å; F237-F320 HydrophobicContact CE1-CZ 3.82Å; F237-F320 HydrophobicContact CE2-CE2 4.32Å; F237-F320 HydrophobicContact CE2-CZ 4.45Å; F237-F320 HydrophobicContact CG-CZ 4.27Å; F237-F320 AromaticContact CZ-CE2 3.91Å; F237-F320 HydrophobicContact CZ-CE2 3.91Å; F237-F320 HydrophobicContact CZ-CZ 4.12Å
238	G	95.3	Very high	94.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-51.4	-47.2	172.1	0	0	0	0	0	113.7	Y186 Q236 I240 F241 E242	Y186-G238 VanDerWaalsContact CE1-CA 3.48Å; Y186-G238 PolarHBondContact O-N 2.84Å; Q236-G238 VanDerWaalsContact C-N 3.27Å; Q236-G238 PolarHBondContact O-N 3.18Å; G238-I240 PolarHBondContact O-N 2.96Å; G238-F241 WeakPolarHBondContact O-CB 3.28Å; G238-F241 PolarHBondContact O-N 3.13Å; G238-E242 WeakPolarHBondContact O-CG 3.31Å; G238-E242 PolarHBondContact O-N 3.4Å
239	T	95.6	Very high	94.2	Very high	34 Å²	34	45.2 Å²	45.2	21%	0.209	23%	0.226	C	C	.	.	H	α-helix	trans	-62.9	-40.6	176.9	-50.6	0	0	0	0	112.1	Q236 F237 F241 E242 E243	Q236-T239 WeakPolarHBondContact O-CB 3.38Å; Q236-T239 PolarHBondContact O-N 3.48Å; Q236-T239 VanDerWaalsContact O-N 3.1Å; F237-T239 VanDerWaalsContact C-N 3.32Å; F237-T239 PolarHBondContact O-N 2.51Å; T239-F241 VanDerWaalsContact C-N 3.32Å; T239-F241 PolarHBondContact O-N 2.61Å; T239-E242 PolarHBondContact O-N 2.76Å; T239-E243 WeakPolarHBondContact O-CB 3.36Å; T239-E243 WeakPolarHBondContact O-CG 3.46Å; T239-E243 PolarHBondContact O-N 2.89Å
240	I	96.7	Very high	94.1	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-61.8	-42.9	175.7	-60.6	-179.9	0	0	0	110.5	L190 F235 Q236 F237 G238 A244 I257 I259 F280 F320	L190-I240 HydrophobicContact CD2-CD1 4.41Å; F235-I240 HydrophobicContact CB-CD1 3.82Å; F235-I240 HydrophobicContact CB-CG1 4.11Å; Q236-I240 PolarHBondContact O-N 2.82Å; F237-I240 HydrophobicContact CD1-CD1 4.08Å; F237-I240 WeakPolarHBondContact O-CB 3.45Å; F237-I240 PolarHBondContact O-N 3.3Å; F237-I240 VanDerWaalsContact O-N 3.09Å; G238-I240 PolarHBondContact O-N 2.96Å; I240-A244 WeakPolarHBondContact O-CB 3.32Å; I240-A244 PolarHBondContact O-N 2.99Å; I240-I257 HydrophobicContact CG2-CG2 3.9Å; I240-I259 HydrophobicContact CD1-CD1 4.07Å; I240-F280 HydrophobicContact CB-CD1 4.23Å; I240-F280 HydrophobicContact CD1-CD1 4.46Å; I240-F280 HydrophobicContact CD1-CE1 4.16Å; I240-F280 HydrophobicContact CG1-CD1 3.97Å; I240-F280 HydrophobicContact CG1-CE1 3.78Å; I240-F280 HydrophobicContact CG1-CZ 4.3Å; I240-F280 HydrophobicContact CG2-CB 4.2Å; I240-F280 HydrophobicContact CG2-CD1 3.68Å; I240-F280 HydrophobicContact CG2-CE1 4.37Å; I240-F280 HydrophobicContact CG2-CG 4.09Å; I240-F320 HydrophobicContact CD1-CE1 4.3Å; I240-F320 HydrophobicContact CG2-CD1 4.42Å; I240-F320 HydrophobicContact CG2-CE1 3.95Å
241	F	95.4	Very high	94	Very high	7 Å²	7	38.1 Å²	38.1	3%	0.031	20%	0.196	C	C	.	.	H	α-helix	trans	-66	-42.9	-179.9	-59	-31.4	0	0	0	112.3	V185 Y186 F237 G238 T239 N245 V246 F251 I257 I318 F320	V185-F241 HydrophobicContact CG1-CE2 4.47Å; V185-F241 HydrophobicContact CG1-CZ 4.35Å; Y186-F241 AromaticContact CD2-CD2 3.93Å; Y186-F241 HydrophobicContact CD2-CD2 3.93Å; Y186-F241 HydrophobicContact CD2-CE2 4.48Å; Y186-F241 HydrophobicContact CE2-CD2 4.18Å; F237-F241 HydrophobicContact CB-CD2 4.39Å; F237-F241 HydrophobicContact CB-CE2 3.66Å; F237-F241 HydrophobicContact CB-CZ 3.78Å; F237-F241 HydrophobicContact CD2-CZ 4.49Å; F237-F241 HydrophobicContact CG-CZ 4.27Å; F237-F241 WeakPolarHBondContact O-CD2 3.19Å; F237-F241 WeakPolarHBondContact O-CG 3.16Å; F237-F241 PolarHBondContact O-N 2.86Å; G238-F241 WeakPolarHBondContact O-CB 3.28Å; G238-F241 PolarHBondContact O-N 3.13Å; T239-F241 VanDerWaalsContact C-N 3.32Å; T239-F241 PolarHBondContact O-N 2.61Å; F241-N245 PolarHBondContact O-N 2.86Å; F241-N245 VanDerWaalsContact O-N 3.16Å; F241-V246 HydrophobicContact CB-CG2 3.57Å; F241-V246 HydrophobicContact CD1-CG2 4.18Å; F241-V246 HydrophobicContact CG-CG2 4.11Å; F241-V246 PolarHBondContact O-N 2.81Å; F241-F251 AromaticContact CD2-CE1 3.99Å; F241-F251 HydrophobicContact CD2-CE1 3.99Å; F241-F251 AromaticContact CD2-CZ 3.52Å; F241-F251 HydrophobicContact CD2-CZ 3.52Å; F241-F251 AromaticContact CE2-CE1 3.5Å; F241-F251 HydrophobicContact CE2-CE1 3.5Å; F241-F251 VanDerWaalsContact CE2-CE1 3.5Å; F241-F251 AromaticContact CE2-CZ 3.55Å; F241-F251 HydrophobicContact CE2-CZ 3.55Å; F241-F251 HydrophobicContact CG-CZ 4.17Å; F241-F251 AromaticContact CZ-CE1 3.95Å; F241-F251 HydrophobicContact CZ-CE1 3.95Å; F241-F251 HydrophobicContact CZ-CZ 4.25Å; F241-I257 HydrophobicContact CD1-CD1 3.54Å; F241-I257 HydrophobicContact CE1-CD1 3.65Å; F241-I318 HydrophobicContact CD1-CD1 4.43Å; F241-I318 HydrophobicContact CE1-CD1 3.48Å; F241-I318 VanDerWaalsContact CE1-CD1 3.48Å; F241-I318 HydrophobicContact CE1-CG2 4.44Å; F241-I318 HydrophobicContact CE2-CD1 4.43Å; F241-I318 HydrophobicContact CZ-CD1 3.48Å; F241-I318 VanDerWaalsContact CZ-CD1 3.48Å; F241-F320 AromaticContact CE1-CE1 3.96Å; F241-F320 HydrophobicContact CE1-CE1 3.96Å; F241-F320 AromaticContact CE1-CZ 3.66Å; F241-F320 HydrophobicContact CE1-CZ 3.66Å; F241-F320 HydrophobicContact CZ-CZ 4Å
242	E	94.7	Very high	93.9	Very high	124 Å²	124	37.9 Å²	37.9	58%	0.579	20%	0.196	S	C	*	.	H	α-helix	trans	-62.5	-48.6	175.1	-71.8	171.4	-164.9	0	0	111.5	Y186 G238 T239 A244 N245	Y186-E242 WeakPolarHBondContact OH-CG 3.43Å; Y186-E242 PolarHBondContact OH-OE1 2.9Å; G238-E242 WeakPolarHBondContact O-CG 3.31Å; G238-E242 PolarHBondContact O-N 3.4Å; T239-E242 PolarHBondContact O-N 2.76Å; E242-A244 PolarHBondContact O-N 3.1Å; E242-N245 PolarHBondContact O-N 2.83Å
243	E	94.6	Very high	93.6	Very high	66 Å²	66	39.3 Å²	39.3	31%	0.308	21%	0.206	S	C	.	.	H	α-helix	trans	-69.1	-32.5	-179.9	-72.9	-163.8	-141	0	0	113.2	T239 N245 F280	T239-E243 WeakPolarHBondContact O-CB 3.36Å; T239-E243 WeakPolarHBondContact O-CG 3.46Å; T239-E243 PolarHBondContact O-N 2.89Å; E243-N245 PolarHBondContact O-N 2.84Å; E243-F280 HydrophobicContact CB-CB 4.24Å; E243-F280 HydrophobicContact CB-CD2 3.7Å; E243-F280 HydrophobicContact CB-CG 4.37Å; E243-F280 HydrophobicContact CG-CD2 4.29Å; E243-F280 WeakPolarHBondContact OE2-CD2 3.39Å
244	A	95	Very high	93.5	Very high	10 Å²	10	39.3 Å²	39.3	8%	0.083	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-2.8	174.8	0	0	0	0	0	113.6	I240 E242 V246 I257 F280	I240-A244 WeakPolarHBondContact O-CB 3.32Å; I240-A244 PolarHBondContact O-N 2.99Å; E242-A244 PolarHBondContact O-N 3.1Å; A244-V246 HydrophobicContact CB-CG1 3.88Å; A244-V246 PolarHBondContact O-N 2.8Å; A244-I257 HydrophobicContact CB-CG2 4.35Å; A244-F280 HydrophobicContact CB-CB 4.07Å
245	N	93.1	Very high	93.4	Very high	149 Å²	149	38.1 Å²	38.1	80%	0.797	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	47.5	-179.1	-167.2	39.6	0	0	0	113.2	F241 E242 E243	F241-N245 PolarHBondContact O-N 2.86Å; F241-N245 VanDerWaalsContact O-N 3.16Å; E242-N245 PolarHBondContact O-N 2.83Å; E243-N245 PolarHBondContact O-N 2.84Å
246	V	91.3	Very high	93.3	Very high	28 Å²	28	39.2 Å²	39.2	17%	0.17	21%	0.207	C	C	.	.			trans	-83.1	147.9	-178	-54.6	0	0	0	0	112.2	F241 A244 I250 I257 R282	F241-V246 HydrophobicContact CB-CG2 3.57Å; F241-V246 HydrophobicContact CD1-CG2 4.18Å; F241-V246 HydrophobicContact CG-CG2 4.11Å; F241-V246 PolarHBondContact O-N 2.81Å; A244-V246 HydrophobicContact CB-CG1 3.88Å; A244-V246 PolarHBondContact O-N 2.8Å; V246-I250 HydrophobicContact CB-CD1 4.26Å; V246-I250 HydrophobicContact CB-CG2 4.32Å; V246-I250 HydrophobicContact CG1-CD1 4.1Å; V246-I250 HydrophobicContact CG2-CG2 4.06Å; V246-I257 HydrophobicContact CG1-CD1 3.98Å; V246-I257 HydrophobicContact CG1-CG1 4.38Å; V246-R282 HydrophobicContact CG1-CB 4.48Å
247	D	88.4	Confident	93.3	Very high	48 Å²	48	36.8 Å²	36.8	26%	0.257	20%	0.196	S	C	.	.			trans	-84.2	158.3	173.4	63.9	-20.3	0	0	0	111.6	S249 I250 R282	D247-S249 VanDerWaalsContact CG-OG 3.24Å; D247-S249 PolarHBondContact O-N 3.36Å; D247-S249 VanDerWaalsContact O-N 3.12Å; D247-S249 WeakPolarHBondContact OD2-CB 3.48Å; D247-S249 PolarHBondContact OD2-OG 3.41Å; D247-I250 VanDerWaalsContact O-CG2 3.23Å; D247-I250 WeakPolarHBondContact O-CG2 3.41Å; D247-I250 PolarHBondContact O-N 2.88Å; D247-R282 IonicContact OD1-CZ 3.6Å; D247-R282 IonicContact OD1-NH1 3.2Å; D247-R282 PolarHBondContact OD1-NH1 2.82Å
248	Q	87	Confident	93.3	Very high	157 Å²	157	36.8 Å²	36.8	73%	0.734	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-18.6	178.8	-69.5	-174.5	-15.4	0	0	113.4	I250 F251	Q248-I250 PolarHBondContact O-N 2.93Å; Q248-F251 PolarHBondContact O-N 2.88Å
249	S	87.8	Confident	93.4	Very high	55 Å²	55	36.8 Å²	36.8	39%	0.385	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-31.4	175.4	-31.9	0	0	0	0	112.5	D247 F251 I252 S253	D247-S249 VanDerWaalsContact CG-OG 3.24Å; D247-S249 PolarHBondContact O-N 3.36Å; D247-S249 VanDerWaalsContact O-N 3.12Å; D247-S249 WeakPolarHBondContact OD2-CB 3.48Å; D247-S249 PolarHBondContact OD2-OG 3.41Å; S249-F251 PolarHBondContact O-N 2.94Å; S249-F251 VanDerWaalsContact O-N 3.14Å; S249-I252 WeakPolarHBondContact O-CA 3.37Å; S249-I252 PolarHBondContact O-N 3.34Å; S249-S253 PolarHBondContact O-N 3.4Å; S249-S253 PolarHBondContact O-OG 3.18Å
250	I	92	Very high	93.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59.2	-29.1	-176.4	-154.6	179.2	0	0	0	112.3	V246 D247 Q248 I252 G254 I257 I318	V246-I250 HydrophobicContact CB-CD1 4.26Å; V246-I250 HydrophobicContact CB-CG2 4.32Å; V246-I250 HydrophobicContact CG1-CD1 4.1Å; V246-I250 HydrophobicContact CG2-CG2 4.06Å; D247-I250 VanDerWaalsContact O-CG2 3.23Å; D247-I250 WeakPolarHBondContact O-CG2 3.41Å; D247-I250 PolarHBondContact O-N 2.88Å; Q248-I250 PolarHBondContact O-N 2.93Å; I250-I252 VanDerWaalsContact C-N 3.31Å; I250-G254 CarbonylContact O-C 3.6Å; I250-G254 WeakPolarHBondContact O-CA 3.08Å; I250-G254 PolarHBondContact O-N 3.35Å; I250-I257 HydrophobicContact CD1-CD1 3.98Å; I250-I257 HydrophobicContact CD1-CG1 4.02Å; I250-I318 HydrophobicContact CD1-CD1 4.32Å; I250-I318 HydrophobicContact CD1-CG1 4.23Å; I250-I318 HydrophobicContact CD1-CG2 4.37Å; I250-I318 HydrophobicContact CG1-CD1 4.4Å; I250-I318 HydrophobicContact CG1-CG1 4.12Å; I250-I318 HydrophobicContact CG2-CD1 4.12Å
251	F	92.1	Very high	93.6	Very high	14 Å²	14	36.1 Å²	36.1	6%	0.061	19%	0.191	C	C	.	.	H	α-helix	trans	-79.1	-14.8	176.8	-59	-78.2	0	0	0	113.4	T102 F180 Y186 F241 Q248 S249 I318	T102-F251 WeakPolarHBondContact CB-O 3.37Å; T102-F251 HydrophobicContact CG2-CD1 3.87Å; T102-F251 PolarHBondContact OG1-O 3.32Å; F180-F251 HydrophobicContact CB-CB 4.04Å; F180-F251 WeakPolarHBondContact CB-O 3.44Å; F180-F251 HydrophobicContact CD1-CB 3.65Å; F180-F251 HydrophobicContact CD1-CG 4.49Å; F180-F251 HydrophobicContact CD2-CB 3.55Å; F180-F251 HydrophobicContact CD2-CD1 4.42Å; F180-F251 HydrophobicContact CD2-CG 4.15Å; F180-F251 HydrophobicContact CE1-CB 3.89Å; F180-F251 HydrophobicContact CE1-CD2 4.33Å; F180-F251 HydrophobicContact CE1-CG 4.26Å; F180-F251 HydrophobicContact CE2-CB 3.69Å; F180-F251 AromaticContact CE2-CD1 4Å; F180-F251 HydrophobicContact CE2-CD1 4Å; F180-F251 HydrophobicContact CE2-CD2 4.41Å; F180-F251 AromaticContact CE2-CG 3.79Å; F180-F251 HydrophobicContact CE2-CG 3.79Å; F180-F251 HydrophobicContact CG-CB 3.49Å; F180-F251 VanDerWaalsContact CG-CB 3.49Å; F180-F251 HydrophobicContact CG-CG 4.46Å; F180-F251 HydrophobicContact CZ-CB 3.91Å; F180-F251 HydrophobicContact CZ-CD1 4.45Å; F180-F251 HydrophobicContact CZ-CD2 4.08Å; F180-F251 AromaticContact CZ-CG 3.9Å; F180-F251 HydrophobicContact CZ-CG 3.9Å; Y186-F251 HydrophobicContact CD2-CZ 4.43Å; F241-F251 AromaticContact CD2-CE1 3.99Å; F241-F251 HydrophobicContact CD2-CE1 3.99Å; F241-F251 AromaticContact CD2-CZ 3.52Å; F241-F251 HydrophobicContact CD2-CZ 3.52Å; F241-F251 AromaticContact CE2-CE1 3.5Å; F241-F251 HydrophobicContact CE2-CE1 3.5Å; F241-F251 VanDerWaalsContact CE2-CE1 3.5Å; F241-F251 AromaticContact CE2-CZ 3.55Å; F241-F251 HydrophobicContact CE2-CZ 3.55Å; F241-F251 HydrophobicContact CG-CZ 4.17Å; F241-F251 AromaticContact CZ-CE1 3.95Å; F241-F251 HydrophobicContact CZ-CE1 3.95Å; F241-F251 HydrophobicContact CZ-CZ 4.25Å; Q248-F251 PolarHBondContact O-N 2.88Å; S249-F251 PolarHBondContact O-N 2.94Å; S249-F251 VanDerWaalsContact O-N 3.14Å; F251-I318 HydrophobicContact CD1-CD1 4.15Å; F251-I318 HydrophobicContact CE1-CD1 3.99Å
252	I	92	Very high	93.7	Very high	25 Å²	25	38.3 Å²	38.3	13%	0.128	20%	0.203	C	C	.	.	H	α-helix	trans	-97.4	-52.7	-178.2	-58.6	178	0	0	0	110	L173 R177 F180 S249 I250	L173-I252 HydrophobicContact CD1-CG2 3.95Å; R177-I252 VanDerWaalsContact O-CD1 3.25Å; R177-I252 WeakPolarHBondContact O-CD1 3.44Å; F180-I252 HydrophobicContact CB-CG1 4.19Å; F180-I252 HydrophobicContact CD1-CG1 4.26Å; S249-I252 WeakPolarHBondContact O-CA 3.37Å; S249-I252 PolarHBondContact O-N 3.34Å; I250-I252 VanDerWaalsContact C-N 3.31Å
253	S	90.7	Very high	93.8	Very high	31 Å²	31	32.4 Å²	32.4	22%	0.217	18%	0.175	C	C	.	.	H	α-helix	trans	-95	-11.1	-177.2	56.5	0	0	0	0	113.8	S249 G293 F294	S249-S253 PolarHBondContact O-N 3.4Å; S249-S253 PolarHBondContact O-OG 3.18Å; S253-G293 CarbonylContact O-C 3.59Å; S253-G293 WeakPolarHBondContact O-CA 3.19Å; S253-F294 PolarHBondContact O-N 3.29Å
254	G	93.7	Very high	93.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.195	C	C	.	.			trans	78.2	176.8	-167	0	0	0	0	0	112.9	I250 G293 G317	I250-G254 CarbonylContact O-C 3.6Å; I250-G254 WeakPolarHBondContact O-CA 3.08Å; I250-G254 PolarHBondContact O-N 3.35Å; G254-G293 WeakPolarHBondContact O-CA 3.08Å; G254-G317 CarbonylContact C-O 3.57Å; G254-G317 WeakPolarHBondContact CA-O 3.06Å
255	G	94.5	Very high	93.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.7	-174.6	176.9	0	0	0	0	0	112.1	D284 G317 I318 R319	G255-D284 WeakPolarHBondContact CA-OD2 3.35Å; G255-G317 PolarHBondContact N-O 2.87Å; G255-I318 WeakPolarHBondContact O-CA 3.47Å; G255-R319 PolarHBondContact O-N 2.82Å
256	V	95.7	Very high	94	Very high	24 Å²	24	31.5 Å²	31.5	15%	0.145	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	123.4	-177.2	-170.6	0	0	0	0	109.6	L283 D284 F294 R319 V321	V256-L283 HydrophobicContact CB-CB 4.21Å; V256-L283 HydrophobicContact CG1-CB 4.01Å; V256-L283 HydrophobicContact CG1-CD1 3.99Å; V256-L283 HydrophobicContact CG1-CG 4.4Å; V256-L283 PolarHBondContact O-N 2.8Å; V256-D284 HydrophobicContact CB-CB 4.17Å; V256-D284 HydrophobicContact CG2-CB 4.23Å; V256-D284 VanDerWaalsContact N-CG 3.35Å; V256-D284 PolarHBondContact N-OD1 2.78Å; V256-D284 VanDerWaalsContact O-OD1 3.09Å; V256-F294 HydrophobicContact CG2-CD2 4.11Å; V256-R319 CarbonylContact C-O 3.56Å; V256-R319 WeakPolarHBondContact CA-O 3.32Å; V256-R319 HydrophobicContact CG1-CB 4.47Å; V256-R319 HydrophobicContact CG2-CB 4.46Å; V256-V321 HydrophobicContact CG1-CG2 3.84Å
257	I	97	Very high	94.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	133.5	178.9	-62.2	-179.1	0	0	0	109.4	I240 F241 A244 V246 I250 R281 I318 R319 F320 V321	I240-I257 HydrophobicContact CG2-CG2 3.9Å; F241-I257 HydrophobicContact CD1-CD1 3.54Å; F241-I257 HydrophobicContact CE1-CD1 3.65Å; A244-I257 HydrophobicContact CB-CG2 4.35Å; V246-I257 HydrophobicContact CG1-CD1 3.98Å; V246-I257 HydrophobicContact CG1-CG1 4.38Å; I250-I257 HydrophobicContact CD1-CD1 3.98Å; I250-I257 HydrophobicContact CD1-CG1 4.02Å; I257-R281 CarbonylContact C-O 3.57Å; I257-I318 HydrophobicContact CB-CG2 4.38Å; I257-I318 HydrophobicContact CD1-CG2 3.7Å; I257-I318 HydrophobicContact CG1-CG2 3.85Å; I257-R319 PolarHBondContact N-O 2.74Å; I257-F320 HydrophobicContact CB-CD1 3.98Å; I257-F320 HydrophobicContact CB-CE1 4.28Å; I257-F320 HydrophobicContact CD1-CE1 4.06Å; I257-F320 HydrophobicContact CG2-CD1 4.1Å; I257-F320 HydrophobicContact CG2-CE1 4.37Å; I257-F320 CarbonylContact O-C 3.54Å; I257-F320 VanDerWaalsContact O-CA 3.26Å; I257-F320 WeakPolarHBondContact O-CA 3.34Å; I257-V321 PolarHBondContact O-N 2.88Å
258	G	97.2	Very high	94.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	131.8	172.8	0	0	0	0	0	110.3	F280 R281 V321	G258-F280 WeakPolarHBondContact O-CA 3.15Å; G258-R281 PolarHBondContact N-O 2.92Å; G258-R281 PolarHBondContact O-N 2.82Å; G258-R281 VanDerWaalsContact O-N 3.1Å; G258-V321 CarbonylContact C-O 3.48Å; G258-V321 WeakPolarHBondContact CA-O 3.5Å
259	I	97.9	Very high	94.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	104.5	168.2	-53.5	-178.4	0	0	0	106.4	L190 I192 I240 I261 F280 F320 V321 I322 H323	L190-I259 HydrophobicContact CD2-CD1 3.76Å; I192-I259 HydrophobicContact CD1-CD1 3.98Å; I192-I259 HydrophobicContact CD1-CG2 4Å; I240-I259 HydrophobicContact CD1-CD1 4.07Å; I259-I261 HydrophobicContact CG2-CG1 4.49Å; I259-F280 HydrophobicContact CB-CD1 4.39Å; I259-F280 HydrophobicContact CG1-CD1 4.04Å; I259-F280 HydrophobicContact CG1-CE1 4.29Å; I259-F280 HydrophobicContact CG2-CD1 4.09Å; I259-F280 HydrophobicContact CG2-CE1 3.78Å; I259-F320 HydrophobicContact CD1-CB 4.22Å; I259-F320 HydrophobicContact CD1-CD1 4.01Å; I259-F320 HydrophobicContact CD1-CG 4.49Å; I259-F320 HydrophobicContact CG1-CD1 4.38Å; I259-V321 PolarHBondContact N-O 2.79Å; I259-I322 HydrophobicContact CB-CG1 4.26Å; I259-I322 HydrophobicContact CD1-CG1 4.38Å; I259-I322 CarbonylContact O-C 3.6Å; I259-I322 WeakPolarHBondContact O-CA 3.14Å; I259-H323 PolarHBondContact O-N 3.22Å
260	D	97.3	Very high	95.1	Very high	21 Å²	21	34.1 Å²	34.1	11%	0.112	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	126.7	-179.8	-58.4	-52.3	0	0	0	108.9	Y278 S279 R281 H323	D260-Y278 WeakPolarHBondContact O-CA 3.37Å; D260-S279 PolarHBondContact N-O 2.95Å; D260-S279 PolarHBondContact O-N 2.97Å; D260-R281 IonicContact OD1-NH2 3.75Å; D260-R281 IonicContact OD2-CZ 3.48Å; D260-R281 IonicContact OD2-NE 2.6Å; D260-R281 PolarHBondContact OD2-NE 3.29Å; D260-R281 IonicContact OD2-NH2 3.13Å; D260-H323 CarbonylContact C-O 3.55Å; D260-H323 WeakPolarHBondContact CA-O 3.3Å; D260-H323 VanDerWaalsContact OD1-CB 3.31Å; D260-H323 WeakPolarHBondContact OD1-CB 3.49Å; D260-H323 IonicContact OD1-CD2 3.66Å; D260-H323 PolarHBondContact OD1-CD2 2.57Å; D260-H323 IonicContact OD1-CG 2.73Å
261	I	97.7	Very high	95.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	101.4	177.6	-49.1	-179.3	0	0	0	107.9	I192 N194 I259 P276 T277 Y278 I322 H323 V324 S325	I192-I261 HydrophobicContact CG2-CD1 3.95Å; N194-I261 HydrophobicContact CB-CD1 4.14Å; I259-I261 HydrophobicContact CG2-CG1 4.49Å; I261-P276 HydrophobicContact CG2-CB 3.74Å; I261-T277 WeakPolarHBondContact CA-O 3.42Å; I261-Y278 HydrophobicContact CB-CD1 4.43Å; I261-Y278 HydrophobicContact CB-CE1 4.32Å; I261-Y278 HydrophobicContact CD1-CD1 4.44Å; I261-Y278 HydrophobicContact CD1-CE1 3.94Å; I261-Y278 HydrophobicContact CG1-CD1 3.86Å; I261-Y278 HydrophobicContact CG1-CE1 3.79Å; I261-Y278 HydrophobicContact CG2-CD1 4.24Å; I261-Y278 HydrophobicContact CG2-CE1 3.78Å; I261-I322 HydrophobicContact CD1-CG2 3.73Å; I261-I322 HydrophobicContact CG1-CG2 4.21Å; I261-H323 PolarHBondContact N-O 3.35Å; I261-V324 HydrophobicContact CB-CG1 4.49Å; I261-V324 HydrophobicContact CB-CG2 4.26Å; I261-V324 HydrophobicContact CD1-CG2 4.26Å; I261-V324 WeakPolarHBondContact O-CA 3.39Å; I261-S325 PolarHBondContact O-N 3.11Å
262	D	97.2	Very high	95.1	Very high	52 Å²	52	40.9 Å²	40.9	28%	0.278	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	124.9	-176.5	-69.7	-30.6	0	0	0	111.1	P276 T277 S325	D262-P276 CarbonylContact O-C 3.56Å; D262-T277 WeakPolarHBondContact CB-OG1 3.23Å; D262-T277 PolarHBondContact N-O 2.87Å; D262-T277 PolarHBondContact O-N 2.99Å; D262-T277 PolarHBondContact O-OG1 3.14Å; D262-T277 VanDerWaalsContact O-OG1 3.08Å; D262-S325 VanDerWaalsContact OD1-CB 3.31Å; D262-S325 WeakPolarHBondContact OD1-CB 3.48Å
263	W	97.1	Very high	95.1	Very high	1 Å²	1	47 Å²	47	0%	0.004	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	99	173.8	-65.2	88.1	0	0	0	109.4	N194 I196 R205 N207 C274 P276 S325 G326 E327	N194-W263 PolarHBondContact OD1-NE1 3.19Å; I196-W263 HydrophobicContact CD1-CB 3.85Å; I196-W263 HydrophobicContact CD1-CD2 3.39Å; I196-W263 HydrophobicContact CD1-CE3 3.64Å; I196-W263 HydrophobicContact CD1-CG 3.52Å; I196-W263 HydrophobicContact CD1-CZ2 4.45Å; I196-W263 HydrophobicContact CD1-CZ3 4.25Å; I196-W263 HydrophobicContact CG1-CD2 4.12Å; I196-W263 HydrophobicContact CG1-CE3 4.44Å; I196-W263 HydrophobicContact CG1-CG 4.46Å; I196-W263 HydrophobicContact CG1-CZ2 4.32Å; I196-W263 HydrophobicContact CG2-CG 4.46Å; R205-W263 HydrophobicContact CB-CH2 4.22Å; R205-W263 HydrophobicContact CB-CZ3 4.01Å; N207-W263 HydrophobicContact CB-CH2 4.44Å; N207-W263 HydrophobicContact CB-CZ2 3.98Å; W263-C274 WeakPolarHBondContact CZ3-O 3.39Å; W263-P276 HydrophobicContact CD2-CB 4.01Å; W263-P276 HydrophobicContact CE3-CB 4.39Å; W263-P276 HydrophobicContact CH2-CB 4.13Å; W263-P276 VanDerWaalsContact CH2-CD 3.46Å; W263-P276 HydrophobicContact CH2-CG 3.88Å; W263-P276 HydrophobicContact CZ2-CB 3.71Å; W263-P276 HydrophobicContact CZ2-CG 3.82Å; W263-P276 HydrophobicContact CZ3-CB 4.45Å; W263-P276 HydrophobicContact CZ3-CG 4.38Å; W263-S325 PolarHBondContact N-O 3.34Å; W263-G326 CarbonylContact O-C 3.54Å; W263-G326 WeakPolarHBondContact O-CA 3.5Å; W263-E327 PolarHBondContact O-N 3.1Å; W263-E327 VanDerWaalsContact O-O 3.13Å
264	K	95.7	Very high	95.3	Very high	169 Å²	169	45.6 Å²	45.6	74%	0.735	21%	0.212	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-105.3	98.9	172.7	-67	-174	178.4	-175.9	0	108.6
265	C	96.4	Very high	95.4	Very high	7 Å²	7	47.3 Å²	47.3	5%	0.047	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	118.2	-168.8	-63	0	0	0	0	111.2	F198 L267 C274 E327 A328 G329	F198-C265 HydrophobicContact CE2-CB 4.38Å; F198-C265 HydrophobicContact CZ-CB 4.46Å; C265-L267 HydrophobicContact CB-CD2 4.25Å; C265-C274 HydrophobicContact CB-CB 3.59Å; C265-C274 WeakPolarHBondContact CB-SG 3.02Å; C265-C274 WeakPolarHBondContact SG-CA 3.4Å; C265-C274 WeakPolarHBondContact SG-CB 3.47Å; C265-C274 CovalentContact SG-SG 2.01Å; C265-C274 PolarHBondContact SG-SG 3.45Å; C265-E327 PolarHBondContact N-O 3.13Å; C265-A328 HydrophobicContact CB-CB 4.19Å; C265-A328 CarbonylContact O-C 3.46Å; C265-A328 WeakPolarHBondContact O-CA 3.47Å; C265-G329 PolarHBondContact O-N 2.73Å
266	D	96.1	Very high	95.4	Very high	29 Å²	29	47.5 Å²	47.5	16%	0.155	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	104.5	169.1	-174	-13.5	0	0	0	108.4	K48 Q51 D268 W269	K48-D266 IonicContact NZ-OD2 2.88Å; K48-D266 PolarHBondContact NZ-OD2 2.94Å; Q51-D266 PolarHBondContact NE2-OD1 3.32Å; D266-D268 PolarHBondContact O-N 2.91Å; D266-D268 WeakPolarHBondContact OD1-CB 3.4Å; D266-D268 PolarHBondContact OD1-N 3.23Å; D266-D268 VanDerWaalsContact OD1-N 3.13Å; D266-W269 VanDerWaalsContact CG-CD1 3.48Å; D266-W269 PolarHBondContact O-N 3.09Å; D266-W269 PolarHBondContact OD2-NE1 3.25Å
267	L	95.8	Very high	95.4	Very high	13 Å²	13	50.3 Å²	50.3	7%	0.068	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	7.5	-174.8	-57.9	177.8	0	0	0	113.3	F201 I203 C265 W269 A328 G329 K330	F201-L267 HydrophobicContact CB-CD1 4.04Å; F201-L267 HydrophobicContact CD2-CD1 3.36Å; F201-L267 HydrophobicContact CE2-CD1 4Å; F201-L267 HydrophobicContact CG-CD1 3.8Å; I203-L267 HydrophobicContact CD1-CD1 3.61Å; I203-L267 HydrophobicContact CD1-CD2 3.93Å; I203-L267 HydrophobicContact CD1-CG 4.28Å; C265-L267 HydrophobicContact CB-CD2 4.25Å; L267-W269 VanDerWaalsContact C-N 3.26Å; L267-W269 CarbonylContact C-O 3.47Å; L267-A328 HydrophobicContact CD1-CB 3.64Å; L267-A328 HydrophobicContact CG-CB 3.99Å; L267-G329 WeakPolarHBondContact CB-O 3.36Å; L267-G329 PolarHBondContact N-O 3.06Å; L267-K330 HydrophobicContact CB-CB 4Å; L267-K330 HydrophobicContact CB-CD 4.35Å; L267-K330 HydrophobicContact CB-CG 4.13Å; L267-K330 HydrophobicContact CD1-CB 4.47Å
268	D	94.5	Very high	95.5	Very high	63 Å²	63	50.9 Å²	50.9	34%	0.337	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-26.4	162.9	-63.9	-22.2	0	0	0	111.4	Y50 Q51 D266 F331	Y50-D268 WeakPolarHBondContact CE2-OD2 3.24Å; Q51-D268 PolarHBondContact NE2-OD2 2.9Å; D266-D268 PolarHBondContact O-N 2.91Å; D266-D268 WeakPolarHBondContact OD1-CB 3.4Å; D266-D268 PolarHBondContact OD1-N 3.23Å; D266-D268 VanDerWaalsContact OD1-N 3.13Å; D268-F331 WeakPolarHBondContact OD1-CA 3.35Å; D268-F331 WeakPolarHBondContact OD1-CB 3.05Å; D268-F331 PolarHBondContact OD1-N 3.12Å
269	W	93.8	Very high	95.4	Very high	171 Å²	171	52.9 Å²	52.9	65%	0.648	26%	0.257	S	S	*	.	S	Bend	trans	-87.6	167.5	168.8	-55.6	97.5	0	0	0	110.6	D266 L267 V271 Y273	D266-W269 VanDerWaalsContact CG-CD1 3.48Å; D266-W269 PolarHBondContact O-N 3.09Å; D266-W269 PolarHBondContact OD2-NE1 3.25Å; L267-W269 VanDerWaalsContact C-N 3.26Å; L267-W269 CarbonylContact C-O 3.47Å; W269-V271 PolarHBondContact O-N 2.85Å; W269-Y273 HydrophobicContact CB-CD2 4.02Å
270	D	92.9	Very high	95.4	Very high	96 Å²	96	53.6 Å²	53.6	51%	0.513	26%	0.26	S	S	.	.			trans	-59.1	138.9	176	-169.6	-72.2	0	0	0	111.2	Q272 Y273	D270-Q272 HydrophobicContact CB-CG 3.97Å; D270-Q272 PolarHBondContact O-N 2.97Å; D270-Q272 VanDerWaalsContact OD1-CB 3.32Å; D270-Q272 WeakPolarHBondContact OD1-CB 3.45Å; D270-Q272 WeakPolarHBondContact OD1-CG 3.38Å; D270-Q272 PolarHBondContact OD1-N 3.14Å; D270-Y273 HydrophobicContact CB-CD2 4.12Å; D270-Y273 HydrophobicContact CB-CE2 4.15Å; D270-Y273 WeakPolarHBondContact O-CD2 3.35Å; D270-Y273 PolarHBondContact O-N 2.82Å
271	V	92.4	Very high	95.3	Very high	50 Å²	50	58.1 Å²	58.1	30%	0.303	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-55.1	-21.9	-178.4	176	0	0	0	0	112.7	I203 R205 W269 Y273 C274	I203-V271 HydrophobicContact CD1-CG2 4.19Å; I203-V271 HydrophobicContact CG2-CG1 4.02Å; R205-V271 HydrophobicContact CG-CG1 4.23Å; R205-V271 PolarHBondContact NE-O 3.4Å; W269-V271 PolarHBondContact O-N 2.85Å; V271-Y273 PolarHBondContact O-N 3.21Å; V271-C274 VanDerWaalsContact O-CB 3.31Å; V271-C274 WeakPolarHBondContact O-CB 3.26Å; V271-C274 PolarHBondContact O-N 3.18Å; V271-C274 VanDerWaalsContact O-N 3.14Å
272	Q	91.4	Very high	95.2	Very high	106 Å²	106	60.4 Å²	60.4	50%	0.495	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-60.3	-24.7	173.2	73	-169.5	-19.5	0	0	114.4	D270 N275	D270-Q272 HydrophobicContact CB-CG 3.97Å; D270-Q272 PolarHBondContact O-N 2.97Å; D270-Q272 VanDerWaalsContact OD1-CB 3.32Å; D270-Q272 WeakPolarHBondContact OD1-CB 3.45Å; D270-Q272 WeakPolarHBondContact OD1-CG 3.38Å; D270-Q272 PolarHBondContact OD1-N 3.14Å; Q272-N275 PolarHBondContact O-ND2 2.84Å; Q272-N275 PolarHBondContact O-OD1 3.19Å
273	Y	92.6	Very high	95	Very high	153 Å²	153	60.9 Å²	60.9	60%	0.6	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-82.4	-16.2	178.2	-63	-66.9	0	0	0	112.8	W269 D270 V271 N275	W269-Y273 HydrophobicContact CB-CD2 4.02Å; D270-Y273 HydrophobicContact CB-CD2 4.12Å; D270-Y273 HydrophobicContact CB-CE2 4.15Å; D270-Y273 WeakPolarHBondContact O-CD2 3.35Å; D270-Y273 PolarHBondContact O-N 2.82Å; V271-Y273 PolarHBondContact O-N 3.21Å; Y273-N275 PolarHBondContact O-N 3.25Å; Y273-N275 PolarHBondContact O-ND2 3.37Å
274	C	94.9	Very high	94.8	Very high	3 Å²	3	62.3 Å²	62.3	2%	0.02	29%	0.294	C	S	.	.			trans	-72.4	96	171.5	177	0	0	0	0	109.3	R205 W263 C265 V271	R205-C274 PolarHBondContact NE-O 2.92Å; R205-C274 VanDerWaalsContact NE-O 3.13Å; R205-C274 PolarHBondContact NH2-O 3.14Å; W263-C274 WeakPolarHBondContact CZ3-O 3.39Å; C265-C274 HydrophobicContact CB-CB 3.59Å; C265-C274 WeakPolarHBondContact CB-SG 3.02Å; C265-C274 WeakPolarHBondContact SG-CA 3.4Å; C265-C274 WeakPolarHBondContact SG-CB 3.47Å; C265-C274 CovalentContact SG-SG 2.01Å; C265-C274 PolarHBondContact SG-SG 3.45Å; V271-C274 VanDerWaalsContact O-CB 3.31Å; V271-C274 WeakPolarHBondContact O-CB 3.26Å; V271-C274 PolarHBondContact O-N 3.18Å; V271-C274 VanDerWaalsContact O-N 3.14Å
275	N	94.5	Very high	94.4	Very high	35 Å²	35	59.2 Å²	59.2	19%	0.187	29%	0.285	C	S	.	.			trans	-131.8	150.9	-175.2	-67.5	-46.9	0	0	0	111	R205 Q209 F231 Q272 Y273	R205-N275 PolarHBondContact NH2-OD1 2.96Å; Q209-N275 PolarHBondContact NE2-OD1 2.81Å; Q209-N275 PolarHBondContact OE1-OD1 2.86Å; F231-N275 HydrophobicContact CD1-CB 4.34Å; F231-N275 HydrophobicContact CE1-CB 3.71Å; Q272-N275 PolarHBondContact O-ND2 2.84Å; Q272-N275 PolarHBondContact O-OD1 3.19Å; Y273-N275 PolarHBondContact O-N 3.25Å; Y273-N275 PolarHBondContact O-ND2 3.37Å
276	P	96.2	Very high	93.8	Very high	4 Å²	4	60.3 Å²	60.3	3%	0.026	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	150	-178.7	29.8	-29.6	0	0	0	110.9	N207 I261 D262 W263 Y278	N207-P276 HydrophobicContact CB-CG 3.96Å; I261-P276 HydrophobicContact CG2-CB 3.74Å; D262-P276 CarbonylContact O-C 3.56Å; W263-P276 HydrophobicContact CD2-CB 4.01Å; W263-P276 HydrophobicContact CE3-CB 4.39Å; W263-P276 HydrophobicContact CH2-CB 4.13Å; W263-P276 VanDerWaalsContact CH2-CD 3.46Å; W263-P276 HydrophobicContact CH2-CG 3.88Å; W263-P276 HydrophobicContact CZ2-CB 3.71Å; W263-P276 HydrophobicContact CZ2-CG 3.82Å; W263-P276 HydrophobicContact CZ3-CB 4.45Å; W263-P276 HydrophobicContact CZ3-CG 4.38Å; P276-Y278 HydrophobicContact CB-CE1 4.47Å; P276-Y278 HydrophobicContact CB-CE2 4.38Å; P276-Y278 HydrophobicContact CG-CE2 4.08Å
277	T	95.7	Very high	93.2	Very high	84 Å²	84	66.4 Å²	66.4	52%	0.515	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	136.4	165.4	53.9	0	0	0	0	109	I261 D262	I261-T277 WeakPolarHBondContact CA-O 3.42Å; D262-T277 WeakPolarHBondContact CB-OG1 3.23Å; D262-T277 PolarHBondContact N-O 2.87Å; D262-T277 PolarHBondContact O-N 2.99Å; D262-T277 PolarHBondContact O-OG1 3.14Å; D262-T277 VanDerWaalsContact O-OG1 3.08Å
278	Y	97.1	Very high	92.8	Very high	11 Å²	11	67.2 Å²	67.2	4%	0.043	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	139.1	-175.9	-60.7	-73.4	0	0	0	110.2	N207 Y222 F235 D260 I261 P276	N207-Y278 VanDerWaalsContact CB-OH 3.29Å; N207-Y278 WeakPolarHBondContact CB-OH 3.18Å; N207-Y278 PolarHBondContact ND2-OH 3.15Å; N207-Y278 VanDerWaalsContact ND2-OH 3.14Å; Y222-Y278 HydrophobicContact CD2-CD2 4.15Å; Y222-Y278 AromaticContact CE2-CD2 3.58Å; Y222-Y278 HydrophobicContact CE2-CD2 3.58Å; Y222-Y278 HydrophobicContact CE2-CE2 4.41Å; Y222-Y278 HydrophobicContact CE2-CG 4.22Å; F235-Y278 HydrophobicContact CE1-CD1 4.25Å; F235-Y278 HydrophobicContact CE1-CD2 4.22Å; F235-Y278 HydrophobicContact CE1-CG 4.03Å; F235-Y278 HydrophobicContact CE2-CE1 4.47Å; F235-Y278 AromaticContact CZ-CD1 3.74Å; F235-Y278 HydrophobicContact CZ-CD1 3.74Å; F235-Y278 HydrophobicContact CZ-CD2 4.04Å; F235-Y278 AromaticContact CZ-CE1 3.73Å; F235-Y278 HydrophobicContact CZ-CE1 3.73Å; F235-Y278 HydrophobicContact CZ-CE2 4.01Å; F235-Y278 AromaticContact CZ-CG 3.89Å; F235-Y278 HydrophobicContact CZ-CG 3.89Å; F235-Y278 AromaticContact CZ-CZ 3.86Å; D260-Y278 WeakPolarHBondContact O-CA 3.37Å; I261-Y278 HydrophobicContact CB-CD1 4.43Å; I261-Y278 HydrophobicContact CB-CE1 4.32Å; I261-Y278 HydrophobicContact CD1-CD1 4.44Å; I261-Y278 HydrophobicContact CD1-CE1 3.94Å; I261-Y278 HydrophobicContact CG1-CD1 3.86Å; I261-Y278 HydrophobicContact CG1-CE1 3.79Å; I261-Y278 HydrophobicContact CG2-CD1 4.24Å; I261-Y278 HydrophobicContact CG2-CE1 3.78Å; P276-Y278 HydrophobicContact CB-CE1 4.47Å; P276-Y278 HydrophobicContact CB-CE2 4.38Å; P276-Y278 HydrophobicContact CG-CE2 4.08Å
279	S	96.5	Very high	92.2	Very high	43 Å²	43	74.3 Å²	74.3	30%	0.301	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	154.7	167.8	66.8	0	0	0	0	111.3	D260	D260-S279 PolarHBondContact N-O 2.95Å; D260-S279 PolarHBondContact O-N 2.97Å
280	F	97.3	Very high	91.6	Very high	15 Å²	15	73.2 Å²	73.2	7%	0.066	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	136.3	-174.2	-48.8	-80	0	0	0	109.1	Y222 F235 I240 E243 A244 G258 I259	Y222-F280 HydrophobicContact CD1-CE2 4.33Å; Y222-F280 HydrophobicContact CD1-CZ 4.37Å; Y222-F280 AromaticContact CE1-CE2 3.74Å; Y222-F280 HydrophobicContact CE1-CE2 3.74Å; Y222-F280 HydrophobicContact CE1-CZ 4.12Å; F235-F280 HydrophobicContact CD1-CE1 4.13Å; F235-F280 AromaticContact CD1-CZ 3.58Å; F235-F280 HydrophobicContact CD1-CZ 3.58Å; F235-F280 HydrophobicContact CE1-CE1 4.36Å; F235-F280 AromaticContact CE1-CZ 3.69Å; F235-F280 HydrophobicContact CE1-CZ 3.69Å; I240-F280 HydrophobicContact CB-CD1 4.23Å; I240-F280 HydrophobicContact CD1-CD1 4.46Å; I240-F280 HydrophobicContact CD1-CE1 4.16Å; I240-F280 HydrophobicContact CG1-CD1 3.97Å; I240-F280 HydrophobicContact CG1-CE1 3.78Å; I240-F280 HydrophobicContact CG1-CZ 4.3Å; I240-F280 HydrophobicContact CG2-CB 4.2Å; I240-F280 HydrophobicContact CG2-CD1 3.68Å; I240-F280 HydrophobicContact CG2-CE1 4.37Å; I240-F280 HydrophobicContact CG2-CG 4.09Å; E243-F280 HydrophobicContact CB-CB 4.24Å; E243-F280 HydrophobicContact CB-CD2 3.7Å; E243-F280 HydrophobicContact CB-CG 4.37Å; E243-F280 HydrophobicContact CG-CD2 4.29Å; E243-F280 WeakPolarHBondContact OE2-CD2 3.39Å; A244-F280 HydrophobicContact CB-CB 4.07Å; G258-F280 WeakPolarHBondContact O-CA 3.15Å; I259-F280 HydrophobicContact CB-CD1 4.39Å; I259-F280 HydrophobicContact CG1-CD1 4.04Å; I259-F280 HydrophobicContact CG1-CE1 4.29Å; I259-F280 HydrophobicContact CG2-CD1 4.09Å; I259-F280 HydrophobicContact CG2-CE1 3.78Å
281	R	95.5	Very high	91	Very high	116 Å²	116	73.2 Å²	73.2	44%	0.438	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	152.3	177.7	60.9	-175.3	174.7	97.5	8.9	111	I257 G258 D260 L283	I257-R281 CarbonylContact C-O 3.57Å; G258-R281 PolarHBondContact N-O 2.92Å; G258-R281 PolarHBondContact O-N 2.82Å; G258-R281 VanDerWaalsContact O-N 3.1Å; D260-R281 IonicContact OD1-NH2 3.75Å; D260-R281 IonicContact OD2-CZ 3.48Å; D260-R281 IonicContact OD2-NE 2.6Å; D260-R281 PolarHBondContact OD2-NE 3.29Å; D260-R281 IonicContact OD2-NH2 3.13Å; R281-L283 HydrophobicContact CG-CD2 4.06Å
282	R	95	Very high	90.5	Very high	48 Å²	48	73.7 Å²	73.7	18%	0.181	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	135.6	167.4	-167.9	177.7	-176.2	155.7	0.2	110.4	V246 D247 D284	V246-R282 HydrophobicContact CG1-CB 4.48Å; D247-R282 IonicContact OD1-CZ 3.6Å; D247-R282 IonicContact OD1-NH1 3.2Å; D247-R282 PolarHBondContact OD1-NH1 2.82Å; R282-D284 WeakPolarHBondContact CG-OD1 3.08Å; R282-D284 IonicContact CZ-OD1 3.67Å; R282-D284 IonicContact CZ-OD2 2.65Å; R282-D284 VanDerWaalsContact NE-CG 3.31Å; R282-D284 PolarHBondContact NE-O 2.89Å; R282-D284 IonicContact NE-OD1 2.81Å; R282-D284 PolarHBondContact NE-OD1 3.02Å; R282-D284 IonicContact NE-OD2 3.65Å; R282-D284 PolarHBondContact NE-OD2 2.94Å; R282-D284 IonicContact NH2-OD1 3.68Å; R282-D284 IonicContact NH2-OD2 3.54Å; R282-D284 PolarHBondContact NH2-OD2 2.97Å
283	L	93.7	Very high	90.4	Very high	61 Å²	61	69.6 Å²	69.6	32%	0.319	37%	0.369	S	S	.	.			trans	-101.2	-30.9	179.4	-58.8	-176.1	0	0	0	112.9	V256 R281 V321	V256-L283 HydrophobicContact CB-CB 4.21Å; V256-L283 HydrophobicContact CG1-CB 4.01Å; V256-L283 HydrophobicContact CG1-CD1 3.99Å; V256-L283 HydrophobicContact CG1-CG 4.4Å; V256-L283 PolarHBondContact O-N 2.8Å; R281-L283 HydrophobicContact CG-CD2 4.06Å; L283-V321 HydrophobicContact CD1-CB 4.06Å; L283-V321 HydrophobicContact CD1-CG2 4.28Å
284	D	91.9	Very high	90.4	Very high	32 Å²	32	64.9 Å²	64.9	17%	0.171	35%	0.352	C	S	.	.	S	Bend	trans	-85.5	153.6	177.6	68	-55.3	0	0	0	112.3	G255 V256 R282 A286	G255-D284 WeakPolarHBondContact CA-OD2 3.35Å; V256-D284 HydrophobicContact CB-CB 4.17Å; V256-D284 HydrophobicContact CG2-CB 4.23Å; V256-D284 VanDerWaalsContact N-CG 3.35Å; V256-D284 PolarHBondContact N-OD1 2.78Å; V256-D284 VanDerWaalsContact O-OD1 3.09Å; R282-D284 WeakPolarHBondContact CG-OD1 3.08Å; R282-D284 IonicContact CZ-OD1 3.67Å; R282-D284 IonicContact CZ-OD2 2.65Å; R282-D284 VanDerWaalsContact NE-CG 3.31Å; R282-D284 PolarHBondContact NE-O 2.89Å; R282-D284 IonicContact NE-OD1 2.81Å; R282-D284 PolarHBondContact NE-OD1 3.02Å; R282-D284 IonicContact NE-OD2 3.65Å; R282-D284 PolarHBondContact NE-OD2 2.94Å; R282-D284 IonicContact NH2-OD1 3.68Å; R282-D284 IonicContact NH2-OD2 3.54Å; R282-D284 PolarHBondContact NH2-OD2 2.97Å; D284-A286 PolarHBondContact O-N 2.83Å
285	D	88.8	Confident	90.4	Very high	104 Å²	104	67.6 Å²	67.6	56%	0.556	37%	0.366	S	S	*	.			trans	-80.4	108	172.3	179.7	8.8	0	0	0	110.4	H287 A288	D285-H287 PolarHBondContact O-N 3.09Å; D285-H287 PolarHBondContact OD1-N 2.86Å; D285-A288 HydrophobicContact CB-CB 4.2Å; D285-A288 WeakPolarHBondContact O-CB 3.36Å; D285-A288 PolarHBondContact O-N 2.71Å; D285-A288 PolarHBondContact OD2-N 3.14Å
286	A	83.9	Confident	90.4	Very high	29 Å²	29	68.5 Å²	68.5	24%	0.24	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-29.2	177	0	0	0	0	0	113.7	D284	D284-A286 PolarHBondContact O-N 2.83Å
287	H	83.4	Confident	90.3	Very high	157 Å²	157	73.8 Å²	73.8	73%	0.727	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	13	-171.3	-57.4	-49.2	0	0	0	112.7	D285 K289	D285-H287 PolarHBondContact O-N 3.09Å; D285-H287 PolarHBondContact OD1-N 2.86Å; H287-K289 PolarHBondContact O-N 2.84Å
288	A	86.6	Confident	90.3	Very high	31 Å²	31	72 Å²	72	26%	0.256	37%	0.372	S	S	.	.			trans	-54.9	127.1	174.9	0	0	0	0	0	110.5	D285 I290	D285-A288 HydrophobicContact CB-CB 4.2Å; D285-A288 WeakPolarHBondContact O-CB 3.36Å; D285-A288 PolarHBondContact O-N 2.71Å; D285-A288 PolarHBondContact OD2-N 3.14Å; A288-I290 PolarHBondContact O-N 2.67Å
289	K	81.2	Confident	90.3	Very high	211 Å²	211	72.8 Å²	72.8	92%	0.917	38%	0.38	S	S	*	.	S	Bend	trans	-68.3	-25.3	-178	-66.6	-177.6	-179.7	178.5	0	113.3	H287	H287-K289 PolarHBondContact O-N 2.84Å
290	I	81.7	Confident	90.2	Very high	148 Å²	148	75.5 Å²	75.5	76%	0.759	39%	0.388	S	S	*	.	S	Bend	trans	-128	136.3	-174.6	-59.1	174	0	0	0	107.4	A288 S292	A288-I290 PolarHBondContact O-N 2.67Å; I290-S292 VanDerWaalsContact C-N 3.28Å; I290-S292 PolarHBondContact O-N 3.33Å
291	A	80	Confident	90.2	Very high	96 Å²	96	81.3 Å²	81.3	79%	0.793	41%	0.414	S	S	*	.	S	Bend	trans	53.9	40.4	176.7	0	0	0	0	0	114
292	S	83.6	Confident	90.2	Very high	60 Å²	60	79 Å²	79	42%	0.42	41%	0.405	S	S	.	.			trans	-62.5	137.5	175.1	59.3	0	0	0	0	111.8	I290	I290-S292 VanDerWaalsContact C-N 3.28Å; I290-S292 PolarHBondContact O-N 3.33Å
293	G	88.1	Confident	90.3	Very high	20 Å²	20	80.1 Å²	80.1	21%	0.206	42%	0.42	C	S	.	.	S	Bend	trans	87.1	-160.9	177.6	0	0	0	0	0	113.8	S253 G254	S253-G293 CarbonylContact O-C 3.59Å; S253-G293 WeakPolarHBondContact O-CA 3.19Å; G254-G293 WeakPolarHBondContact O-CA 3.08Å
294	F	93.2	Very high	90.3	Very high	55 Å²	55	80.7 Å²	80.7	24%	0.241	42%	0.421	C	S	.	.			trans	-143.2	122.9	-176.6	-172.7	-86	0	0	0	110.9	F99 S253 V256 F296 G317 R319	F99-F294 AromaticContact CD2-CD1 3.96Å; F99-F294 HydrophobicContact CD2-CD1 3.96Å; F99-F294 AromaticContact CD2-CE1 3.72Å; F99-F294 HydrophobicContact CD2-CE1 3.72Å; F99-F294 AromaticContact CE2-CD1 3.55Å; F99-F294 HydrophobicContact CE2-CD1 3.55Å; F99-F294 AromaticContact CE2-CE1 3.67Å; F99-F294 HydrophobicContact CE2-CE1 3.67Å; S253-F294 PolarHBondContact O-N 3.29Å; V256-F294 HydrophobicContact CG2-CD2 4.11Å; F294-F296 AromaticContact CE1-CD1 3.97Å; F294-F296 HydrophobicContact CE1-CD1 3.97Å; F294-F296 HydrophobicContact CE1-CE1 4.43Å; F294-G317 PolarHBondContact O-N 2.89Å; F294-R319 HydrophobicContact CE1-CB 4.38Å
295	N	93.8	Very high	90.3	Very high	60 Å²	60	87.6 Å²	87.6	32%	0.321	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	156.3	176.2	67.5	93.1	0	0	0	111.8	K314 A315 Y316	N295-K314 WeakPolarHBondContact OD1-CE 3.31Å; N295-A315 WeakPolarHBondContact CA-O 3.34Å; N295-A315 VanDerWaalsContact CB-O 3.3Å; N295-A315 WeakPolarHBondContact CB-O 3.28Å; N295-Y316 HydrophobicContact CB-CD1 3.49Å; N295-Y316 VanDerWaalsContact CB-CD1 3.49Å; N295-Y316 HydrophobicContact CB-CE1 3.67Å; N295-Y316 HydrophobicContact CB-CG 4.04Å
296	F	95	Very high	90.5	Very high	54 Å²	54	86.1 Å²	86.1	24%	0.237	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	172.6	168.5	67.1	-89.4	0	0	0	110.7	V90 F99 F294 Y298 A315	V90-F296 HydrophobicContact CB-CZ 3.98Å; V90-F296 HydrophobicContact CG1-CE2 3.88Å; V90-F296 HydrophobicContact CG1-CZ 3.79Å; F99-F296 AromaticContact CD1-CE1 3.41Å; F99-F296 HydrophobicContact CD1-CE1 3.41Å; F99-F296 VanDerWaalsContact CD1-CE1 3.41Å; F99-F296 AromaticContact CD1-CZ 3.77Å; F99-F296 HydrophobicContact CD1-CZ 3.77Å; F99-F296 HydrophobicContact CD2-CE1 4.16Å; F99-F296 HydrophobicContact CE1-CD1 4.16Å; F99-F296 AromaticContact CE1-CE1 3.13Å; F99-F296 HydrophobicContact CE1-CE1 3.13Å; F99-F296 AromaticContact CE1-CZ 3.59Å; F99-F296 HydrophobicContact CE1-CZ 3.59Å; F99-F296 HydrophobicContact CE2-CD1 4.43Å; F99-F296 AromaticContact CE2-CE1 3.97Å; F99-F296 HydrophobicContact CE2-CE1 3.97Å; F99-F296 AromaticContact CG-CE1 3.89Å; F99-F296 HydrophobicContact CG-CE1 3.89Å; F99-F296 HydrophobicContact CZ-CD1 4.05Å; F99-F296 AromaticContact CZ-CE1 3.44Å; F99-F296 HydrophobicContact CZ-CE1 3.44Å; F99-F296 VanDerWaalsContact CZ-CE1 3.44Å; F99-F296 HydrophobicContact CZ-CZ 4.3Å; F294-F296 AromaticContact CE1-CD1 3.97Å; F294-F296 HydrophobicContact CE1-CD1 3.97Å; F294-F296 HydrophobicContact CE1-CE1 4.43Å; F296-Y298 HydrophobicContact CD2-CD1 4.18Å; F296-Y298 AromaticContact CE2-CD1 3.62Å; F296-Y298 HydrophobicContact CE2-CD1 3.62Å; F296-Y298 HydrophobicContact CE2-CE1 4.26Å; F296-Y298 HydrophobicContact CE2-CG 4.39Å; F296-A315 HydrophobicContact CZ-CB 4.46Å; F296-A315 PolarHBondContact N-O 2.88Å; F296-A315 PolarHBondContact O-N 3.01Å
297	R	95.2	Very high	90.9	Very high	115 Å²	115	87.8 Å²	87.8	43%	0.434	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	140.3	-179.6	-66.4	168.2	178.8	90.8	-7.9	110.8	E169 L312 I313 K314	E169-R297 IonicContact OE1-CZ 3.34Å; E169-R297 IonicContact OE1-NE 2.74Å; E169-R297 PolarHBondContact OE1-NE 3.47Å; E169-R297 IonicContact OE1-NH2 2.86Å; E169-R297 PolarHBondContact OE1-NH2 3.33Å; E169-R297 VanDerWaalsContact OE2-CD 3.3Å; E169-R297 WeakPolarHBondContact OE2-CD 3.14Å; E169-R297 IonicContact OE2-CZ 2.74Å; E169-R297 IonicContact OE2-NE 2.72Å; E169-R297 PolarHBondContact OE2-NE 2.98Å; E169-R297 IonicContact OE2-NH2 3.3Å; R297-L312 HydrophobicContact CB-CD1 4.3Å; R297-I313 VanDerWaalsContact CA-O 3.26Å; R297-I313 WeakPolarHBondContact CA-O 3.43Å; R297-K314 HydrophobicContact CG-CB 4.15Å; R297-K314 HydrophobicContact CG-CG 4.1Å; R297-K314 VanDerWaalsContact NH2-CE 3.33Å; R297-K314 VanDerWaalsContact NH2-NZ 3.11Å
298	Y	95.9	Very high	91.5	Very high	47 Å²	47	85.4 Å²	85.4	18%	0.184	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	167.5	169.4	68	-79.5	0	0	0	109.2	I101 F296 H300 I313 A315	I101-Y298 HydrophobicContact CD1-CE1 4.47Å; F296-Y298 HydrophobicContact CD2-CD1 4.18Å; F296-Y298 AromaticContact CE2-CD1 3.62Å; F296-Y298 HydrophobicContact CE2-CD1 3.62Å; F296-Y298 HydrophobicContact CE2-CE1 4.26Å; F296-Y298 HydrophobicContact CE2-CG 4.39Å; Y298-H300 AromaticContact CE2-CE1 3.82Å; Y298-H300 AromaticContact CE2-NE2 3.52Å; Y298-I313 HydrophobicContact CD1-CB 4.17Å; Y298-I313 HydrophobicContact CD1-CG2 4.28Å; Y298-I313 HydrophobicContact CD2-CD1 4.49Å; Y298-I313 HydrophobicContact CE1-CB 3.76Å; Y298-I313 HydrophobicContact CE1-CD1 4.45Å; Y298-I313 HydrophobicContact CE1-CG2 3.5Å; Y298-I313 VanDerWaalsContact CE1-CG2 3.5Å; Y298-I313 HydrophobicContact CE2-CB 4.23Å; Y298-I313 HydrophobicContact CE2-CD1 3.64Å; Y298-I313 HydrophobicContact CE2-CG1 4.47Å; Y298-I313 PolarHBondContact N-O 2.86Å; Y298-I313 PolarHBondContact O-N 3.21Å; Y298-I313 WeakPolarHBondContact OH-CD1 3.1Å; Y298-A315 HydrophobicContact CE1-CB 4.04Å
299	A	95.8	Very high	92	Very high	26 Å²	26	86 Å²	86	22%	0.215	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	146.2	-177.5	0	0	0	0	0	112.3	F301 R310 D311 L312	A299-F301 HydrophobicContact CB-CD2 4.48Å; A299-F301 HydrophobicContact CB-CE2 3.89Å; A299-F301 HydrophobicContact CB-CZ 4.01Å; A299-R310 HydrophobicContact CB-CB 4.33Å; A299-R310 HydrophobicContact CB-CG 4.45Å; A299-D311 CarbonylContact C-O 3.5Å; A299-D311 WeakPolarHBondContact CA-O 3.39Å; A299-L312 HydrophobicContact CB-CD1 4.43Å
300	H	94.9	Very high	92.8	Very high	101 Å²	101	78.2 Å²	78.2	47%	0.468	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	115.8	167.7	-61.9	-65.3	0	0	0	109.1	Y298 R310 D311 I313	Y298-H300 AromaticContact CE2-CE1 3.82Å; Y298-H300 AromaticContact CE2-NE2 3.52Å; H300-R310 CarbonylContact O-C 3.52Å; H300-R310 WeakPolarHBondContact O-CA 3.34Å; H300-D311 HydrophobicContact CB-CB 4.47Å; H300-D311 PolarHBondContact N-O 2.05Å; H300-D311 PolarHBondContact O-N 2.85Å; H300-I313 VanDerWaalsContact CD2-CD1 3.41Å; H300-I313 WeakPolarHBondContact CD2-CD1 3.42Å; H300-I313 WeakPolarHBondContact NE2-CD1 3.41Å
301	F	96.6	Very high	93.4	Very high	137 Å²	137	72.1 Å²	72.1	60%	0.601	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	139.7	-179.5	-63.1	-90.8	0	0	0	110.8	W165 A299 Y309 R310	W165-F301 HydrophobicContact CH2-CD1 4.3Å; W165-F301 HydrophobicContact CH2-CE1 4.14Å; W165-F301 AromaticContact CZ2-CE1 3.95Å; W165-F301 HydrophobicContact CZ2-CE1 3.95Å; A299-F301 HydrophobicContact CB-CD2 4.48Å; A299-F301 HydrophobicContact CB-CE2 3.89Å; A299-F301 HydrophobicContact CB-CZ 4.01Å; F301-Y309 WeakPolarHBondContact CA-O 3.45Å; F301-R310 HydrophobicContact CD1-CB 3.63Å; F301-R310 HydrophobicContact CE1-CB 3.86Å; F301-R310 HydrophobicContact CE1-CG 4.35Å; F301-R310 HydrophobicContact CG-CB 4.22Å
302	Y	96.7	Very high	94.2	Very high	68 Å²	68	68.3 Å²	68.3	27%	0.267	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	166.9	176.4	61	-83.2	0	0	0	110.4	R109 E304 Y309 D311	R109-Y302 WeakPolarHBondContact CA-OH 3.25Å; R109-Y302 WeakPolarHBondContact CG-OH 3.49Å; Y302-E304 HydrophobicContact CD2-CG 4.13Å; Y302-E304 HydrophobicContact CE2-CG 4.17Å; Y302-E304 WeakPolarHBondContact CE2-OE1 3.37Å; Y302-Y309 VanDerWaalsContact CE2-CB 3.46Å; Y302-Y309 HydrophobicContact CE2-CD2 4.26Å; Y302-Y309 HydrophobicContact CE2-CG 4.04Å; Y302-Y309 VanDerWaalsContact CZ-CB 3.43Å; Y302-Y309 PolarHBondContact N-O 2.78Å; Y302-Y309 PolarHBondContact O-N 2.95Å; Y302-D311 PolarHBondContact OH-OD1 2.97Å
303	S	95.5	Very high	94.7	Very high	71 Å²	71	66 Å²	66	50%	0.497	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	131.8	-178.6	-165.4	0	0	0	0	110	T307 N308	S303-T307 WeakPolarHBondContact CA-O 3.33Å; S303-T307 PolarHBondContact OG-O 2.94Å; S303-N308 PolarHBondContact OG-OD1 3.16Å
304	E	93.9	Very high	95.1	Very high	73 Å²	73	65.7 Å²	65.7	34%	0.341	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	125.8	175.4	-68.8	179.1	-170.8	0	0	108.4	R109 Y302 G306 T307 Y309	R109-E304 IonicContact CZ-OE2 2.75Å; R109-E304 IonicContact NH1-OE1 3.14Å; R109-E304 IonicContact NH1-OE2 3.93Å; R109-E304 IonicContact NH2-OE2 3.59Å; R109-E304 PolarHBondContact NH2-OE2 3.12Å; Y302-E304 HydrophobicContact CD2-CG 4.13Å; Y302-E304 HydrophobicContact CE2-CG 4.17Å; Y302-E304 WeakPolarHBondContact CE2-OE1 3.37Å; E304-G306 PolarHBondContact O-N 3.18Å; E304-G306 VanDerWaalsContact O-N 3.17Å; E304-T307 PolarHBondContact N-O 2.81Å; E304-T307 PolarHBondContact O-N 3.28Å; E304-Y309 HydrophobicContact CB-CD2 4.08Å; E304-Y309 HydrophobicContact CB-CE2 3.92Å; E304-Y309 HydrophobicContact CG-CD2 4.45Å
305	N	93.3	Very high	95.2	Very high	176 Å²	176	63 Å²	63	94%	0.941	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	38.4	178.3	-60.1	-20.5	0	0	0	114.3	T307	N305-T307 PolarHBondContact O-N 3.14Å
306	G	91.3	Very high	95.2	Very high	73 Å²	73	61.3 Å²	61.3	75%	0.753	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	-1.2	-179	0	0	0	0	0	115	E304	E304-G306 PolarHBondContact O-N 3.18Å; E304-G306 VanDerWaalsContact O-N 3.17Å
307	T	93.7	Very high	95.2	Very high	65 Å²	65	58.8 Å²	58.8	40%	0.399	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	129.8	173.8	-56.1	0	0	0	0	109.9	S303 E304 N305 Y309	S303-T307 WeakPolarHBondContact CA-O 3.33Å; S303-T307 PolarHBondContact OG-O 2.94Å; E304-T307 PolarHBondContact N-O 2.81Å; E304-T307 PolarHBondContact O-N 3.28Å; N305-T307 PolarHBondContact O-N 3.14Å; T307-Y309 HydrophobicContact CG2-CD2 4.37Å; T307-Y309 HydrophobicContact CG2-CE1 4.48Å; T307-Y309 HydrophobicContact CG2-CE2 3.71Å; T307-Y309 VanDerWaalsContact O-CD2 3.3Å; T307-Y309 WeakPolarHBondContact O-CD2 3.38Å
308	N	96	Very high	95.3	Very high	106 Å²	106	53.3 Å²	53.3	57%	0.567	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	127.8	177.8	-66.2	-28.6	0	0	0	110.7	S303	S303-N308 PolarHBondContact OG-OD1 3.16Å
309	Y	97.2	Very high	95.3	Very high	45 Å²	45	55.1 Å²	55.1	18%	0.176	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	160.4	176.2	-67.5	-85.4	0	0	0	110.9	R109 Q110 F301 Y302 E304 T307	R109-Y309 HydrophobicContact CB-CD1 4.34Å; Q110-Y309 CarbonylContact O-C 3.47Å; Q110-Y309 WeakPolarHBondContact O-CA 3.39Å; F301-Y309 WeakPolarHBondContact CA-O 3.45Å; Y302-Y309 VanDerWaalsContact CE2-CB 3.46Å; Y302-Y309 HydrophobicContact CE2-CD2 4.26Å; Y302-Y309 HydrophobicContact CE2-CG 4.04Å; Y302-Y309 VanDerWaalsContact CZ-CB 3.43Å; Y302-Y309 PolarHBondContact N-O 2.78Å; Y302-Y309 PolarHBondContact O-N 2.95Å; E304-Y309 HydrophobicContact CB-CD2 4.08Å; E304-Y309 HydrophobicContact CB-CE2 3.92Å; E304-Y309 HydrophobicContact CG-CD2 4.45Å; T307-Y309 HydrophobicContact CG2-CD2 4.37Å; T307-Y309 HydrophobicContact CG2-CE1 4.48Å; T307-Y309 HydrophobicContact CG2-CE2 3.71Å; T307-Y309 VanDerWaalsContact O-CD2 3.3Å; T307-Y309 WeakPolarHBondContact O-CD2 3.38Å
310	R	96.9	Very high	95.3	Very high	46 Å²	46	53.9 Å²	53.9	17%	0.174	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	148.2	164.9	75.2	-178.9	-168.7	177.6	1.7	111.5	Q110 W165 A299 H300 F301	Q110-R310 HydrophobicContact CB-CG 3.87Å; Q110-R310 WeakPolarHBondContact CB-O 3.27Å; Q110-R310 PolarHBondContact N-O 3.45Å; Q110-R310 PolarHBondContact O-N 2.9Å; Q110-R310 VanDerWaalsContact OE1-CZ 3.27Å; W165-R310 VanDerWaalsContact CB-NH2 3.3Å; W165-R310 VanDerWaalsContact CD1-NH1 3.31Å; W165-R310 HydrophobicContact CD2-CG 4.03Å; W165-R310 VanDerWaalsContact CD2-NE 3.33Å; W165-R310 HydrophobicContact CE3-CB 4.5Å; W165-R310 HydrophobicContact CE3-CG 3.62Å; W165-R310 VanDerWaalsContact CG-NE 3.3Å; W165-R310 VanDerWaalsContact CG-NH2 3.34Å; W165-R310 HydrophobicContact CH2-CB 4.44Å; W165-R310 HydrophobicContact CH2-CG 4.28Å; W165-R310 HydrophobicContact CZ3-CB 4.14Å; W165-R310 HydrophobicContact CZ3-CG 3.75Å; A299-R310 HydrophobicContact CB-CB 4.33Å; A299-R310 HydrophobicContact CB-CG 4.45Å; H300-R310 CarbonylContact O-C 3.52Å; H300-R310 WeakPolarHBondContact O-CA 3.34Å; F301-R310 HydrophobicContact CD1-CB 3.63Å; F301-R310 HydrophobicContact CE1-CB 3.86Å; F301-R310 HydrophobicContact CE1-CG 4.35Å; F301-R310 HydrophobicContact CG-CB 4.22Å
311	D	95.4	Very high	95.4	Very high	21 Å²	21	50.3 Å²	50.3	11%	0.112	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	113.9	164.3	-73.9	-12.6	0	0	0	108.4	K106 E108 R109 A299 H300 Y302	K106-D311 VanDerWaalsContact CE-CG 3.5Å; K106-D311 WeakPolarHBondContact CE-OD2 3.45Å; K106-D311 IonicContact NZ-OD2 2.71Å; K106-D311 PolarHBondContact NZ-OD2 3.4Å; E108-D311 VanDerWaalsContact CA-OD1 3.25Å; E108-D311 WeakPolarHBondContact CA-OD1 3.39Å; R109-D311 PolarHBondContact N-OD1 3.48Å; A299-D311 CarbonylContact C-O 3.5Å; A299-D311 WeakPolarHBondContact CA-O 3.39Å; H300-D311 HydrophobicContact CB-CB 4.47Å; H300-D311 PolarHBondContact N-O 2.05Å; H300-D311 PolarHBondContact O-N 2.85Å; Y302-D311 PolarHBondContact OH-OD1 2.97Å
312	L	96.3	Very high	95.5	Very high	15 Å²	15	44 Å²	44	8%	0.079	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	129.7	176.7	179.5	69.5	0	0	0	109.6	K106 T107 E169 R297 A299	K106-L312 WeakPolarHBondContact CA-O 3.15Å; T107-L312 PolarHBondContact N-O 2.99Å; T107-L312 PolarHBondContact O-N 3.13Å; E169-L312 HydrophobicContact CB-CD2 3.81Å; E169-L312 HydrophobicContact CG-CD2 3.83Å; R297-L312 HydrophobicContact CB-CD1 4.3Å; A299-L312 HydrophobicContact CB-CD1 4.43Å
313	I	94.8	Very high	95.5	Very high	13 Å²	13	44.4 Å²	44.4	7%	0.067	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	122.2	177.8	-61.3	169.4	0	0	0	108.4	L104 V105 K106 R297 Y298 H300 A315	L104-I313 HydrophobicContact CB-CG2 4.43Å; V105-I313 WeakPolarHBondContact O-CA 3.38Å; K106-I313 HydrophobicContact CG-CG1 4.17Å; R297-I313 VanDerWaalsContact CA-O 3.26Å; R297-I313 WeakPolarHBondContact CA-O 3.43Å; Y298-I313 HydrophobicContact CD1-CB 4.17Å; Y298-I313 HydrophobicContact CD1-CG2 4.28Å; Y298-I313 HydrophobicContact CD2-CD1 4.49Å; Y298-I313 HydrophobicContact CE1-CB 3.76Å; Y298-I313 HydrophobicContact CE1-CD1 4.45Å; Y298-I313 HydrophobicContact CE1-CG2 3.5Å; Y298-I313 VanDerWaalsContact CE1-CG2 3.5Å; Y298-I313 HydrophobicContact CE2-CB 4.23Å; Y298-I313 HydrophobicContact CE2-CD1 3.64Å; Y298-I313 HydrophobicContact CE2-CG1 4.47Å; Y298-I313 PolarHBondContact N-O 2.86Å; Y298-I313 PolarHBondContact O-N 3.21Å; Y298-I313 WeakPolarHBondContact OH-CD1 3.1Å; H300-I313 VanDerWaalsContact CD2-CD1 3.41Å; H300-I313 WeakPolarHBondContact CD2-CD1 3.42Å; H300-I313 WeakPolarHBondContact NE2-CD1 3.41Å; I313-A315 HydrophobicContact CG2-CB 4.49Å
314	K	95.3	Very high	95.6	Very high	12 Å²	12	42.6 Å²	42.6	5%	0.052	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	109.5	164.6	-173	179.1	-170	175.3	0	108.1	L104 V105 E169 D171 N295 R297 Y316	L104-K314 CarbonylContact C-O 3.55Å; L104-K314 VanDerWaalsContact CA-O 3.31Å; L104-K314 WeakPolarHBondContact CA-O 3.41Å; V105-K314 HydrophobicContact CB-CB 4.37Å; V105-K314 PolarHBondContact N-O 2.91Å; V105-K314 PolarHBondContact O-N 2.92Å; E169-K314 WeakPolarHBondContact OE1-CD 3.09Å; D171-K314 IonicContact OD1-NZ 3.77Å; D171-K314 PolarHBondContact OD1-NZ 3.27Å; D171-K314 IonicContact OD2-NZ 2.82Å; D171-K314 PolarHBondContact OD2-NZ 3.07Å; D171-K314 VanDerWaalsContact OD2-NZ 3.13Å; N295-K314 WeakPolarHBondContact OD1-CE 3.31Å; R297-K314 HydrophobicContact CG-CB 4.15Å; R297-K314 HydrophobicContact CG-CG 4.1Å; R297-K314 VanDerWaalsContact NH2-CE 3.33Å; R297-K314 VanDerWaalsContact NH2-NZ 3.11Å; K314-Y316 HydrophobicContact CD-CE2 3.91Å; K314-Y316 WeakPolarHBondContact CD-OH 3.26Å; K314-Y316 WeakPolarHBondContact CE-OH 3.3Å; K314-Y316 HydrophobicContact CG-CE2 3.94Å; K314-Y316 PolarHBondContact NZ-OH 2.86Å; K314-Y316 VanDerWaalsContact NZ-OH 3.07Å
315	A	95.2	Very high	95.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	128.7	-177.6	0	0	0	0	0	110.8	F99 I101 N295 F296 Y298 I313	F99-A315 HydrophobicContact CE1-CB 4.21Å; F99-A315 HydrophobicContact CZ-CB 4.34Å; I101-A315 HydrophobicContact CD1-CB 3.89Å; I101-A315 HydrophobicContact CG1-CB 3.99Å; I101-A315 HydrophobicContact CG2-CB 4.42Å; N295-A315 WeakPolarHBondContact CA-O 3.34Å; N295-A315 VanDerWaalsContact CB-O 3.3Å; N295-A315 WeakPolarHBondContact CB-O 3.28Å; F296-A315 HydrophobicContact CZ-CB 4.46Å; F296-A315 PolarHBondContact N-O 2.88Å; F296-A315 PolarHBondContact O-N 3.01Å; Y298-A315 HydrophobicContact CE1-CB 4.04Å; I313-A315 HydrophobicContact CG2-CB 4.49Å
316	Y	95.2	Very high	95.8	Very high	24 Å²	24	34.2 Å²	34.2	9%	0.094	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	136.6	169.2	-61.5	-95.1	0	0	0	108.5	T102 N103 V105 D171 L173 N295 K314	T102-Y316 PolarHBondContact N-O 3.37Å; T102-Y316 PolarHBondContact OG1-O 3.4Å; N103-Y316 PolarHBondContact N-O 2.95Å; N103-Y316 WeakPolarHBondContact O-CA 3.42Å; N103-Y316 PolarHBondContact O-N 3.23Å; V105-Y316 HydrophobicContact CG2-CE2 4.11Å; D171-Y316 PolarHBondContact OD1-OH 3.48Å; L173-Y316 HydrophobicContact CD2-CD2 4.2Å; L173-Y316 HydrophobicContact CD2-CE2 3.73Å; N295-Y316 HydrophobicContact CB-CD1 3.49Å; N295-Y316 VanDerWaalsContact CB-CD1 3.49Å; N295-Y316 HydrophobicContact CB-CE1 3.67Å; N295-Y316 HydrophobicContact CB-CG 4.04Å; K314-Y316 HydrophobicContact CD-CE2 3.91Å; K314-Y316 WeakPolarHBondContact CD-OH 3.26Å; K314-Y316 WeakPolarHBondContact CE-OH 3.3Å; K314-Y316 HydrophobicContact CG-CE2 3.94Å; K314-Y316 PolarHBondContact NZ-OH 2.86Å; K314-Y316 VanDerWaalsContact NZ-OH 3.07Å
317	G	95	Very high	96	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174	179.3	-170.8	0	0	0	0	0	114.6	F99 V100 T102 G254 G255 F294	F99-G317 VanDerWaalsContact CE2-C 3.41Å; V100-G317 CarbonylContact O-C 3.5Å; V100-G317 WeakPolarHBondContact O-CA 3.34Å; T102-G317 WeakPolarHBondContact OG1-CA 3.36Å; G254-G317 CarbonylContact C-O 3.57Å; G254-G317 WeakPolarHBondContact CA-O 3.06Å; G255-G317 PolarHBondContact N-O 2.87Å; F294-G317 PolarHBondContact O-N 2.89Å
318	I	95.9	Very high	96.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	119.5	-177.6	-55.3	173.4	0	0	0	107.4	F99 V100 T102 F241 I250 F251 G255 I257 F320	F99-I318 WeakPolarHBondContact CA-O 3.46Å; V100-I318 PolarHBondContact N-O 3.48Å; V100-I318 PolarHBondContact O-N 2.86Å; T102-I318 HydrophobicContact CG2-CD1 3.94Å; T102-I318 HydrophobicContact CG2-CG1 3.92Å; F241-I318 HydrophobicContact CD1-CD1 4.43Å; F241-I318 HydrophobicContact CE1-CD1 3.48Å; F241-I318 VanDerWaalsContact CE1-CD1 3.48Å; F241-I318 HydrophobicContact CE1-CG2 4.44Å; F241-I318 HydrophobicContact CE2-CD1 4.43Å; F241-I318 HydrophobicContact CZ-CD1 3.48Å; F241-I318 VanDerWaalsContact CZ-CD1 3.48Å; I250-I318 HydrophobicContact CD1-CD1 4.32Å; I250-I318 HydrophobicContact CD1-CG1 4.23Å; I250-I318 HydrophobicContact CD1-CG2 4.37Å; I250-I318 HydrophobicContact CG1-CD1 4.4Å; I250-I318 HydrophobicContact CG1-CG1 4.12Å; I250-I318 HydrophobicContact CG2-CD1 4.12Å; F251-I318 HydrophobicContact CD1-CD1 4.15Å; F251-I318 HydrophobicContact CE1-CD1 3.99Å; G255-I318 WeakPolarHBondContact O-CA 3.47Å; I257-I318 HydrophobicContact CB-CG2 4.38Å; I257-I318 HydrophobicContact CD1-CG2 3.7Å; I257-I318 HydrophobicContact CG1-CG2 3.85Å; I318-F320 HydrophobicContact CB-CE2 4.04Å; I318-F320 HydrophobicContact CB-CZ 4.33Å; I318-F320 HydrophobicContact CG2-CD2 4.17Å; I318-F320 HydrophobicContact CG2-CE1 4.16Å; I318-F320 HydrophobicContact CG2-CE2 3.73Å; I318-F320 HydrophobicContact CG2-CZ 3.75Å
319	R	96.3	Very high	96.2	Very high	85 Å²	85	27.3 Å²	27.3	32%	0.321	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	116.1	170	-170.1	176.6	-177.5	-147.2	0.6	108.7	E94 L98 F99 G255 V256 I257 F294 V321	E94-R319 IonicContact OE1-CZ 3.56Å; E94-R319 IonicContact OE1-NE 3.64Å; E94-R319 PolarHBondContact OE1-NE 3.33Å; E94-R319 VanDerWaalsContact OE1-NE 3.14Å; E94-R319 IonicContact OE1-NH2 3.37Å; E94-R319 PolarHBondContact OE1-NH2 3.07Å; L98-R319 CarbonylContact O-C 3.59Å; L98-R319 WeakPolarHBondContact O-CA 3.42Å; F99-R319 HydrophobicContact CD2-CB 4.2Å; G255-R319 PolarHBondContact O-N 2.82Å; V256-R319 CarbonylContact C-O 3.56Å; V256-R319 WeakPolarHBondContact CA-O 3.32Å; V256-R319 HydrophobicContact CG1-CB 4.47Å; V256-R319 HydrophobicContact CG2-CB 4.46Å; I257-R319 PolarHBondContact N-O 2.74Å; F294-R319 HydrophobicContact CE1-CB 4.38Å; R319-V321 HydrophobicContact CG-CG2 4.43Å
320	F	96.9	Very high	96.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	127.8	171.1	-56.5	-97.7	0	0	0	108.6	A97 L98 V100 F237 I240 F241 I257 I259 I318	A97-F320 CarbonylContact C-O 3.58Å; A97-F320 WeakPolarHBondContact CA-O 3.04Å; A97-F320 VanDerWaalsContact CB-O 3.3Å; A97-F320 WeakPolarHBondContact CB-O 3.18Å; L98-F320 HydrophobicContact CD1-CD2 3.59Å; L98-F320 HydrophobicContact CD1-CE2 4.22Å; L98-F320 HydrophobicContact CD1-CG 4.38Å; L98-F320 HydrophobicContact CD2-CB 4.36Å; L98-F320 HydrophobicContact CG-CB 4.06Å; L98-F320 HydrophobicContact CG-CD2 4.05Å; L98-F320 HydrophobicContact CG-CG 4.43Å; L98-F320 PolarHBondContact N-O 2.99Å; L98-F320 PolarHBondContact O-N 2.91Å; V100-F320 HydrophobicContact CB-CE2 4.31Å; V100-F320 HydrophobicContact CG2-CD2 4.18Å; V100-F320 HydrophobicContact CG2-CE2 3.7Å; F237-F320 HydrophobicContact CD1-CE1 4.39Å; F237-F320 AromaticContact CD1-CZ 3.96Å; F237-F320 HydrophobicContact CD1-CZ 3.96Å; F237-F320 HydrophobicContact CD2-CZ 4.47Å; F237-F320 HydrophobicContact CE1-CE1 4.35Å; F237-F320 AromaticContact CE1-CE2 4Å; F237-F320 HydrophobicContact CE1-CE2 4Å; F237-F320 AromaticContact CE1-CZ 3.82Å; F237-F320 HydrophobicContact CE1-CZ 3.82Å; F237-F320 HydrophobicContact CE2-CE2 4.32Å; F237-F320 HydrophobicContact CE2-CZ 4.45Å; F237-F320 HydrophobicContact CG-CZ 4.27Å; F237-F320 AromaticContact CZ-CE2 3.91Å; F237-F320 HydrophobicContact CZ-CE2 3.91Å; F237-F320 HydrophobicContact CZ-CZ 4.12Å; I240-F320 HydrophobicContact CD1-CE1 4.3Å; I240-F320 HydrophobicContact CG2-CD1 4.42Å; I240-F320 HydrophobicContact CG2-CE1 3.95Å; F241-F320 AromaticContact CE1-CE1 3.96Å; F241-F320 HydrophobicContact CE1-CE1 3.96Å; F241-F320 AromaticContact CE1-CZ 3.66Å; F241-F320 HydrophobicContact CE1-CZ 3.66Å; F241-F320 HydrophobicContact CZ-CZ 4Å; I257-F320 HydrophobicContact CB-CD1 3.98Å; I257-F320 HydrophobicContact CB-CE1 4.28Å; I257-F320 HydrophobicContact CD1-CE1 4.06Å; I257-F320 HydrophobicContact CG2-CD1 4.1Å; I257-F320 HydrophobicContact CG2-CE1 4.37Å; I257-F320 CarbonylContact O-C 3.54Å; I257-F320 VanDerWaalsContact O-CA 3.26Å; I257-F320 WeakPolarHBondContact O-CA 3.34Å; I259-F320 HydrophobicContact CD1-CB 4.22Å; I259-F320 HydrophobicContact CD1-CD1 4.01Å; I259-F320 HydrophobicContact CD1-CG 4.49Å; I259-F320 HydrophobicContact CG1-CD1 4.38Å; I318-F320 HydrophobicContact CB-CE2 4.04Å; I318-F320 HydrophobicContact CB-CZ 4.33Å; I318-F320 HydrophobicContact CG2-CD2 4.17Å; I318-F320 HydrophobicContact CG2-CE1 4.16Å; I318-F320 HydrophobicContact CG2-CE2 3.73Å; I318-F320 HydrophobicContact CG2-CZ 3.75Å
321	V	97	Very high	96.1	Very high	27 Å²	27	32.3 Å²	32.3	16%	0.164	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	123.8	175	-173.8	0	0	0	0	107.7	V256 I257 G258 I259 L283 R319 H323	V256-V321 HydrophobicContact CG1-CG2 3.84Å; I257-V321 PolarHBondContact O-N 2.88Å; G258-V321 CarbonylContact C-O 3.48Å; G258-V321 WeakPolarHBondContact CA-O 3.5Å; I259-V321 PolarHBondContact N-O 2.79Å; L283-V321 HydrophobicContact CD1-CB 4.06Å; L283-V321 HydrophobicContact CD1-CG2 4.28Å; R319-V321 HydrophobicContact CG-CG2 4.43Å; V321-H323 VanDerWaalsContact CG1-CE1 3.44Å; V321-H323 WeakPolarHBondContact CG1-CE1 3.41Å; V321-H323 WeakPolarHBondContact CG1-NE2 2.98Å
322	I	97.5	Very high	96.2	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.021	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	113.3	-176.6	-56.2	169.6	0	0	0	108.3	V60 T62 N96 I192 I259 I261 V324	V60-I322 HydrophobicContact CG1-CB 4.4Å; V60-I322 HydrophobicContact CG1-CD1 3.74Å; V60-I322 HydrophobicContact CG1-CG2 4.04Å; V60-I322 HydrophobicContact CG2-CG2 4.15Å; T62-I322 HydrophobicContact CG2-CD1 3.22Å; N96-I322 PolarHBondContact O-N 3.07Å; I192-I322 HydrophobicContact CD1-CD1 4.13Å; I192-I322 HydrophobicContact CG1-CD1 4.4Å; I192-I322 HydrophobicContact CG2-CD1 4.38Å; I259-I322 HydrophobicContact CB-CG1 4.26Å; I259-I322 HydrophobicContact CD1-CG1 4.38Å; I259-I322 CarbonylContact O-C 3.6Å; I259-I322 WeakPolarHBondContact O-CA 3.14Å; I261-I322 HydrophobicContact CD1-CG2 3.73Å; I261-I322 HydrophobicContact CG1-CG2 4.21Å; I322-V324 HydrophobicContact CG2-CG2 4.25Å
323	H	97	Very high	96.1	Very high	77 Å²	77	38.9 Å²	38.9	36%	0.356	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	129.7	175.7	-59.3	-73.3	0	0	0	108.9	I259 D260 I261 V321	I259-H323 PolarHBondContact O-N 3.22Å; D260-H323 CarbonylContact C-O 3.55Å; D260-H323 WeakPolarHBondContact CA-O 3.3Å; D260-H323 VanDerWaalsContact OD1-CB 3.31Å; D260-H323 WeakPolarHBondContact OD1-CB 3.49Å; D260-H323 IonicContact OD1-CD2 3.66Å; D260-H323 PolarHBondContact OD1-CD2 2.57Å; D260-H323 IonicContact OD1-CG 2.73Å; I261-H323 PolarHBondContact N-O 3.35Å; V321-H323 VanDerWaalsContact CG1-CE1 3.44Å; V321-H323 WeakPolarHBondContact CG1-CE1 3.41Å; V321-H323 WeakPolarHBondContact CG1-NE2 2.98Å
324	V	97.2	Very high	96.1	Very high	33 Å²	33	43.9 Å²	43.9	20%	0.2	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	117.9	178.1	-174.3	0	0	0	0	108.2	V60 I196 I261 I322	V60-V324 HydrophobicContact CG2-CG2 3.47Å; V60-V324 VanDerWaalsContact CG2-CG2 3.47Å; I196-V324 HydrophobicContact CG2-CG1 3.94Å; I261-V324 HydrophobicContact CB-CG1 4.49Å; I261-V324 HydrophobicContact CB-CG2 4.26Å; I261-V324 HydrophobicContact CD1-CG2 4.26Å; I261-V324 WeakPolarHBondContact O-CA 3.39Å; I322-V324 HydrophobicContact CG2-CG2 4.25Å
325	S	96.3	Very high	96.1	Very high	67 Å²	67	44.4 Å²	44.4	47%	0.469	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	134.8	170.9	-170.6	0	0	0	0	108.6	I261 D262 W263	I261-S325 PolarHBondContact O-N 3.11Å; D262-S325 VanDerWaalsContact OD1-CB 3.31Å; D262-S325 WeakPolarHBondContact OD1-CB 3.48Å; W263-S325 PolarHBondContact N-O 3.34Å
326	G	94.9	Very high	96.1	Very high	5 Å²	5	45.9 Å²	45.9	5%	0.052	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	119.5	175.2	0	0	0	0	0	111.2	I55 A56 W263	I55-G326 CarbonylContact C-O 3.49Å; I55-G326 WeakPolarHBondContact CA-O 3.02Å; A56-G326 PolarHBondContact N-O 3.4Å; W263-G326 CarbonylContact O-C 3.54Å; W263-G326 WeakPolarHBondContact O-CA 3.5Å
327	E	96.3	Very high	96.2	Very high	96 Å²	96	48.1 Å²	48.1	45%	0.449	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	125.8	174.1	-175.9	175.5	-169.6	0	0	108	N53 W263 C265	N53-E327 PolarHBondContact ND2-OE1 2.6Å; N53-E327 VanDerWaalsContact ND2-OE1 3.13Å; W263-E327 PolarHBondContact O-N 3.1Å; W263-E327 VanDerWaalsContact O-O 3.13Å; C265-E327 PolarHBondContact N-O 3.13Å
328	A	96.7	Very high	96.2	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	135	172.2	0	0	0	0	0	110.4	N53 D54 F198 F201 C265 L267	N53-A328 CarbonylContact C-O 3.58Å; N53-A328 WeakPolarHBondContact CA-O 3.35Å; D54-A328 PolarHBondContact N-O 3.46Å; D54-A328 PolarHBondContact O-N 3.45Å; F198-A328 HydrophobicContact CD1-CB 3.48Å; F198-A328 VanDerWaalsContact CD1-CB 3.48Å; F198-A328 HydrophobicContact CD2-CB 3.85Å; F198-A328 HydrophobicContact CE1-CB 3.35Å; F198-A328 HydrophobicContact CE2-CB 3.74Å; F198-A328 HydrophobicContact CG-CB 3.73Å; F198-A328 HydrophobicContact CZ-CB 3.5Å; F201-A328 HydrophobicContact CD2-CB 4.17Å; F201-A328 HydrophobicContact CE2-CB 4.09Å; C265-A328 HydrophobicContact CB-CB 4.19Å; C265-A328 CarbonylContact O-C 3.46Å; C265-A328 WeakPolarHBondContact O-CA 3.47Å; L267-A328 HydrophobicContact CD1-CB 3.64Å; L267-A328 HydrophobicContact CG-CB 3.99Å
329	G	96.6	Very high	96.1	Very high	4 Å²	4	55.5 Å²	55.5	4%	0.041	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	138.6	170.7	0	0	0	0	0	110.5	E52 N53 C265 L267	E52-G329 WeakPolarHBondContact O-CA 3.36Å; N53-G329 WeakPolarHBondContact OD1-CA 3.48Å; C265-G329 PolarHBondContact O-N 2.73Å; L267-G329 WeakPolarHBondContact CB-O 3.36Å; L267-G329 PolarHBondContact N-O 3.06Å
330	K	96.4	Very high	96	Very high	90 Å²	90	55.1 Å²	55.1	39%	0.391	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	140.3	172.9	-167.7	174.2	-178.7	176.3	0	110.5	Q51 E52 F201 L267 H332	Q51-K330 CarbonylContact C-O 3.53Å; Q51-K330 VanDerWaalsContact CA-O 3.3Å; Q51-K330 WeakPolarHBondContact CA-O 3.44Å; E52-K330 PolarHBondContact N-O 3.01Å; E52-K330 PolarHBondContact O-N 2.98Å; F201-K330 HydrophobicContact CD1-CB 4.13Å; F201-K330 HydrophobicContact CD1-CD 4.11Å; F201-K330 HydrophobicContact CE1-CB 3.78Å; F201-K330 HydrophobicContact CE2-CB 4.45Å; F201-K330 HydrophobicContact CZ-CB 3.98Å; L267-K330 HydrophobicContact CB-CB 4Å; L267-K330 HydrophobicContact CB-CD 4.35Å; L267-K330 HydrophobicContact CB-CG 4.13Å; L267-K330 HydrophobicContact CD1-CB 4.47Å; K330-H332 PolarHBondContact O-N 3.48Å
331	F	96.5	Very high	95.9	Very high	105 Å²	105	57.1 Å²	57.1	46%	0.461	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.9	126.9	177.4	175.6	-87.8	0	0	0	111	Y50 D268 L336	Y50-F331 AromaticContact CD2-CD2 3.78Å; Y50-F331 HydrophobicContact CD2-CD2 3.78Å; Y50-F331 HydrophobicContact CE2-CD2 4.46Å; D268-F331 WeakPolarHBondContact OD1-CA 3.35Å; D268-F331 WeakPolarHBondContact OD1-CB 3.05Å; D268-F331 PolarHBondContact OD1-N 3.12Å; F331-L336 HydrophobicContact CE2-CD2 3.75Å; F331-L336 HydrophobicContact CZ-CD2 3.73Å
332	H	96.5	Very high	95.8	Very high	66 Å²	66	58.8 Å²	58.8	31%	0.306	32%	0.32	S	S	.	.			trans	-141.2	137.6	174.5	-165.1	-93.4	0	0	0	110.4	Y50 E52 K330 L334 P335 L336	Y50-H332 PolarHBondContact O-N 3.06Å; Y50-H332 VanDerWaalsContact O-N 3.1Å; E52-H332 HydrophobicContact CB-CB 3.64Å; E52-H332 IonicContact OE2-CD2 3.64Å; E52-H332 IonicContact OE2-CG 2.69Å; K330-H332 PolarHBondContact O-N 3.48Å; H332-L334 VanDerWaalsContact C-N 3.31Å; H332-L334 PolarHBondContact ND1-N 2.94Å; H332-L334 PolarHBondContact O-N 3.14Å; H332-P335 HydrophobicContact CB-CG 3.84Å; H332-P335 WeakPolarHBondContact ND1-CD 3.17Å; H332-P335 VanDerWaalsContact O-CD 3.23Å; H332-P335 WeakPolarHBondContact O-CD 3.13Å; H332-P335 WeakPolarHBondContact O-CG 3.44Å; H332-L336 PolarHBondContact O-N 3.43Å
333	L	95.2	Very high	95.7	Very high	108 Å²	108	58.9 Å²	58.9	57%	0.565	32%	0.321	S	S	*	.	H	α-helix	trans	-66.8	-31.5	-173.5	-176.7	62.2	0	0	0	113	L336 T337	L333-L336 HydrophobicContact CD1-CD2 4.14Å; L333-T337 HydrophobicContact CD1-CG2 3.81Å; L333-T337 HydrophobicContact CG-CG2 4.11Å; L333-T337 WeakPolarHBondContact O-CG2 3.14Å; L333-T337 PolarHBondContact O-N 3Å; L333-T337 PolarHBondContact O-OG1 2.67Å
334	L	94.9	Very high	95.5	Very high	119 Å²	119	60.4 Å²	60.4	62%	0.623	33%	0.332	S	S	*	.	H	α-helix	trans	-63.8	-56.8	-179.7	-65	179.2	0	0	0	113.3	H332 L336 T337 M338	H332-L334 VanDerWaalsContact C-N 3.31Å; H332-L334 PolarHBondContact ND1-N 2.94Å; H332-L334 PolarHBondContact O-N 3.14Å; L334-L336 VanDerWaalsContact C-N 3.26Å; L334-L336 PolarHBondContact O-N 3.38Å; L334-T337 PolarHBondContact O-N 3.22Å; L334-T337 PolarHBondContact O-OG1 3.25Å; L334-T337 VanDerWaalsContact O-OG1 3.11Å; L334-M338 WeakPolarHBondContact O-CB 3.39Å; L334-M338 PolarHBondContact O-N 3.36Å
335	P	95.6	Very high	95.4	Very high	22 Å²	22	62.3 Å²	62.3	14%	0.143	35%	0.351	C	S	.	.	H	α-helix	trans	-62.4	-34.8	178.1	25	-34.5	0	0	0	112.1	G49 E52 H332 N339	G49-P335 CarbonylContact O-C 3.58Å; G49-P335 WeakPolarHBondContact O-CB 3.41Å; E52-P335 HydrophobicContact CB-CG 4.36Å; H332-P335 HydrophobicContact CB-CG 3.84Å; H332-P335 WeakPolarHBondContact ND1-CD 3.17Å; H332-P335 VanDerWaalsContact O-CD 3.23Å; H332-P335 WeakPolarHBondContact O-CD 3.13Å; H332-P335 WeakPolarHBondContact O-CG 3.44Å; P335-N339 WeakPolarHBondContact O-CB 3.41Å; P335-N339 PolarHBondContact O-N 3.08Å; P335-N339 PolarHBondContact O-ND2 3.18Å
336	L	95.3	Very high	95.3	Very high	31 Å²	31	62.2 Å²	62.2	16%	0.162	35%	0.345	C	S	.	.	H	α-helix	trans	-56.9	-56.3	172.2	174	64.7	0	0	0	112.4	M44 F331 H332 L333 L334 M338 N339 I340	M44-L336 HydrophobicContact CE-CD1 3.14Å; M44-L336 HydrophobicContact SD-CD1 4.25Å; F331-L336 HydrophobicContact CE2-CD2 3.75Å; F331-L336 HydrophobicContact CZ-CD2 3.73Å; H332-L336 PolarHBondContact O-N 3.43Å; L333-L336 HydrophobicContact CD1-CD2 4.14Å; L334-L336 VanDerWaalsContact C-N 3.26Å; L334-L336 PolarHBondContact O-N 3.38Å; L336-M338 VanDerWaalsContact C-N 3.34Å; L336-M338 PolarHBondContact O-N 2.98Å; L336-N339 PolarHBondContact O-N 2.98Å; L336-I340 HydrophobicContact CD1-CD1 3.66Å; L336-I340 HydrophobicContact CD1-CG1 4.22Å; L336-I340 HydrophobicContact CG-CD1 3.93Å; L336-I340 WeakPolarHBondContact O-CG1 3.48Å; L336-I340 PolarHBondContact O-N 3.41Å
337	T	95.9	Very high	95.2	Very high	72 Å²	72	64.3 Å²	64.3	44%	0.442	36%	0.355	S	S	.	.	H	α-helix	trans	-67.7	-35.5	-176.6	51.7	0	0	0	0	111.9	L333 L334 G341	L333-T337 HydrophobicContact CD1-CG2 3.81Å; L333-T337 HydrophobicContact CG-CG2 4.11Å; L333-T337 WeakPolarHBondContact O-CG2 3.14Å; L333-T337 PolarHBondContact O-N 3Å; L333-T337 PolarHBondContact O-OG1 2.67Å; L334-T337 PolarHBondContact O-N 3.22Å; L334-T337 PolarHBondContact O-OG1 3.25Å; L334-T337 VanDerWaalsContact O-OG1 3.11Å; T337-G341 PolarHBondContact O-N 3.12Å
338	M	95.1	Very high	95	Very high	119 Å²	119	61.5 Å²	61.5	59%	0.586	35%	0.352	S	S	*	.	H	α-helix	trans	-62.2	-44.6	174.3	-173.2	-180	73.8	0	0	112.1	L334 L336 G341 S342	L334-M338 WeakPolarHBondContact O-CB 3.39Å; L334-M338 PolarHBondContact O-N 3.36Å; L336-M338 VanDerWaalsContact C-N 3.34Å; L336-M338 PolarHBondContact O-N 2.98Å; M338-G341 PolarHBondContact O-N 3.27Å; M338-S342 WeakPolarHBondContact O-CB 3.33Å; M338-S342 PolarHBondContact O-N 2.88Å; M338-S342 PolarHBondContact O-OG 3.42Å
339	N	94.8	Very high	94.8	Very high	36 Å²	36	66 Å²	66	19%	0.193	38%	0.375	C	S	.	.	H	α-helix	trans	-74.1	-34.4	179.3	-79.1	-34	0	0	0	112.8	V43 M44 G49 P335 L336 G343	V43-N339 HydrophobicContact CG1-CB 4.41Å; M44-N339 HydrophobicContact SD-CB 4.18Å; G49-N339 WeakPolarHBondContact CA-ND2 3.39Å; G49-N339 PolarHBondContact O-ND2 3.12Å; P335-N339 WeakPolarHBondContact O-CB 3.41Å; P335-N339 PolarHBondContact O-N 3.08Å; P335-N339 PolarHBondContact O-ND2 3.18Å; L336-N339 PolarHBondContact O-N 2.98Å; N339-G343 PolarHBondContact O-N 3.02Å
340	I	93.8	Very high	94.6	Very high	77 Å²	77	65.9 Å²	65.9	40%	0.395	37%	0.374	S	S	.	.	H	α-helix	trans	-62.9	-47.5	169.6	-69.8	171.3	0	0	0	110.4	L336 S342 G343 L344	L336-I340 HydrophobicContact CD1-CD1 3.66Å; L336-I340 HydrophobicContact CD1-CG1 4.22Å; L336-I340 HydrophobicContact CG-CD1 3.93Å; L336-I340 WeakPolarHBondContact O-CG1 3.48Å; L336-I340 PolarHBondContact O-N 3.41Å; I340-S342 PolarHBondContact O-N 3.22Å; I340-G343 PolarHBondContact O-N 3.26Å; I340-L344 HydrophobicContact CG2-CD1 4.03Å; I340-L344 HydrophobicContact CG2-CG 4.32Å; I340-L344 WeakPolarHBondContact O-CG 3.42Å; I340-L344 PolarHBondContact O-N 2.82Å
341	G	95.3	Very high	94.4	Very high	41 Å²	41	64.1 Å²	64.1	42%	0.423	37%	0.371	S	S	.	.	H	α-helix	trans	-59.2	-45.3	178	0	0	0	0	0	112.3	T337 M338 L344 A345	T337-G341 PolarHBondContact O-N 3.12Å; M338-G341 PolarHBondContact O-N 3.27Å; G341-L344 PolarHBondContact O-N 3.23Å; G341-A345 PolarHBondContact O-N 3.07Å
342	S	95	Very high	94.2	Very high	62 Å²	62	62.6 Å²	62.6	43%	0.434	37%	0.371	S	S	.	.	H	α-helix	trans	-63.8	-40.7	175.5	-56.7	0	0	0	0	112.1	M338 I340 A345 L346	M338-S342 WeakPolarHBondContact O-CB 3.33Å; M338-S342 PolarHBondContact O-N 2.88Å; M338-S342 PolarHBondContact O-OG 3.42Å; I340-S342 PolarHBondContact O-N 3.22Å; S342-A345 WeakPolarHBondContact O-CB 3.02Å; S342-A345 PolarHBondContact O-N 3.11Å; S342-L346 PolarHBondContact O-N 2.88Å; S342-L346 VanDerWaalsContact O-N 3.15Å
343	G	93.8	Very high	94	Very high	6 Å²	6	62.2 Å²	62.2	6%	0.062	37%	0.373	C	S	.	.	H	α-helix	trans	-64.9	-40.6	175.6	0	0	0	0	0	113.6	N339 I340 A345 L346 L347	N339-G343 PolarHBondContact O-N 3.02Å; I340-G343 PolarHBondContact O-N 3.26Å; G343-A345 VanDerWaalsContact C-N 3.35Å; G343-L346 WeakPolarHBondContact O-CB 3.44Å; G343-L346 PolarHBondContact O-N 3.22Å; G343-L347 PolarHBondContact O-N 2.61Å
344	L	93.2	Very high	93.8	Very high	110 Å²	110	57.5 Å²	57.5	58%	0.576	35%	0.349	S	S	*	.	H	α-helix	trans	-65.4	-38.3	174.4	-72.1	175.3	0	0	0	111.7	I340 G341 L346 L347	I340-L344 HydrophobicContact CG2-CD1 4.03Å; I340-L344 HydrophobicContact CG2-CG 4.32Å; I340-L344 WeakPolarHBondContact O-CG 3.42Å; I340-L344 PolarHBondContact O-N 2.82Å; G341-L344 PolarHBondContact O-N 3.23Å; L344-L346 VanDerWaalsContact C-N 3.3Å; L344-L346 PolarHBondContact O-N 3.17Å; L344-L347 HydrophobicContact CD2-CD1 3.96Å; L344-L347 WeakPolarHBondContact O-CB 3.45Å; L344-L347 PolarHBondContact O-N 2.87Å
345	A	95.1	Very high	93.6	Very high	73 Å²	73	54.5 Å²	54.5	60%	0.603	33%	0.334	S	S	*	.	H	α-helix	trans	-61.2	-39	174.5	0	0	0	0	0	112	G341 S342 G343 L347 G348	G341-A345 PolarHBondContact O-N 3.07Å; S342-A345 WeakPolarHBondContact O-CB 3.02Å; S342-A345 PolarHBondContact O-N 3.11Å; G343-A345 VanDerWaalsContact C-N 3.35Å; A345-L347 VanDerWaalsContact C-N 3.26Å; A345-L347 PolarHBondContact O-N 3.23Å; A345-G348 PolarHBondContact O-N 2.87Å; A345-G348 VanDerWaalsContact O-N 3.08Å
346	L	94.3	Very high	93.3	Very high	65 Å²	65	58 Å²	58	34%	0.34	35%	0.35	S	S	.	.	H	α-helix	trans	-61.8	-29.5	176.3	-74.2	169.1	0	0	0	113.2	I35 Y38 V39 S342 G343 L344 G348 L349	I35-L346 HydrophobicContact CG2-CB 3.91Å; Y38-L346 HydrophobicContact CE1-CD1 4.39Å; V39-L346 HydrophobicContact CG2-CD1 4.34Å; S342-L346 PolarHBondContact O-N 2.88Å; S342-L346 VanDerWaalsContact O-N 3.15Å; G343-L346 WeakPolarHBondContact O-CB 3.44Å; G343-L346 PolarHBondContact O-N 3.22Å; L344-L346 VanDerWaalsContact C-N 3.3Å; L344-L346 PolarHBondContact O-N 3.17Å; L346-G348 PolarHBondContact O-N 3.25Å; L346-G348 VanDerWaalsContact O-N 3.14Å; L346-L349 HydrophobicContact CD2-CD1 3.94Å; L346-L349 WeakPolarHBondContact O-CB 3.48Å; L346-L349 WeakPolarHBondContact O-CG 3.25Å; L346-L349 PolarHBondContact O-N 2.87Å
347	L	93.3	Very high	93.1	Very high	48 Å²	48	58.7 Å²	58.7	25%	0.251	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-20.6	175.7	-66	173.1	0	0	0	112.8	Q32 I35 G343 L344 A345 L349 A350 P351	Q32-L347 HydrophobicContact CB-CD2 4.45Å; Q32-L347 HydrophobicContact CG-CD2 4.47Å; I35-L347 HydrophobicContact CB-CD2 4Å; I35-L347 HydrophobicContact CG2-CD2 3.71Å; I35-L347 HydrophobicContact CG2-CG 4.29Å; G343-L347 PolarHBondContact O-N 2.61Å; L344-L347 HydrophobicContact CD2-CD1 3.96Å; L344-L347 WeakPolarHBondContact O-CB 3.45Å; L344-L347 PolarHBondContact O-N 2.87Å; A345-L347 VanDerWaalsContact C-N 3.26Å; A345-L347 PolarHBondContact O-N 3.23Å; L347-L349 PolarHBondContact O-N 2.98Å; L347-A350 PolarHBondContact O-N 3Å; L347-P351 VanDerWaalsContact O-CD 3.25Å; L347-P351 WeakPolarHBondContact O-CD 3.48Å
348	G	92.1	Very high	92.6	Very high	38 Å²	38	55.5 Å²	55.5	39%	0.392	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-15.4	172.3	0	0	0	0	0	114.4	A345 L346 P351 T352	A345-G348 PolarHBondContact O-N 2.87Å; A345-G348 VanDerWaalsContact O-N 3.08Å; L346-G348 PolarHBondContact O-N 3.25Å; L346-G348 VanDerWaalsContact O-N 3.14Å; G348-P351 WeakPolarHBondContact O-CD 3.46Å; G348-P351 WeakPolarHBondContact O-CG 2.9Å; G348-T352 PolarHBondContact O-OG1 2.68Å
349	L	92.7	Very high	92.2	Very high	94 Å²	94	51 Å²	51	49%	0.492	31%	0.313	S	S	.	.	H	α-helix	trans	-71.9	-33.5	173.6	-65.7	175.8	0	0	0	112.4	L346 L347 T352 V353	L346-L349 HydrophobicContact CD2-CD1 3.94Å; L346-L349 WeakPolarHBondContact O-CB 3.48Å; L346-L349 WeakPolarHBondContact O-CG 3.25Å; L346-L349 PolarHBondContact O-N 2.87Å; L347-L349 PolarHBondContact O-N 2.98Å; L349-T352 PolarHBondContact O-N 3.08Å; L349-V353 WeakPolarHBondContact O-CG2 3.48Å; L349-V353 PolarHBondContact O-N 3.42Å
350	A	92.8	Very high	91.9	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.008	33%	0.33	C	S	.	.	H	α-helix	trans	-58	-51.9	-178.9	0	0	0	0	0	113.5	L31 Q32 I35 L347 T352 V353 C354	L31-A350 HydrophobicContact CB-CB 3.95Å; Q32-A350 HydrophobicContact CG-CB 3.81Å; I35-A350 HydrophobicContact CD1-CB 4.37Å; L347-A350 PolarHBondContact O-N 3Å; A350-T352 VanDerWaalsContact C-N 3.34Å; A350-T352 PolarHBondContact O-N 2.72Å; A350-V353 PolarHBondContact O-N 2.83Å; A350-C354 WeakPolarHBondContact O-CB 3.42Å; A350-C354 PolarHBondContact O-N 2.79Å; A350-C354 PolarHBondContact O-SG 2.03Å
351	P	91.8	Very high	91.5	Very high	53 Å²	53	56.9 Å²	56.9	34%	0.344	34%	0.344	S	S	.	.	H	α-helix	trans	-64.5	-37.1	176	25.1	-33.6	0	0	0	112.2	L347 G348 V353 C354 D355	L347-P351 VanDerWaalsContact O-CD 3.25Å; L347-P351 WeakPolarHBondContact O-CD 3.48Å; G348-P351 WeakPolarHBondContact O-CD 3.46Å; G348-P351 WeakPolarHBondContact O-CG 2.9Å; P351-V353 PolarHBondContact O-N 2.73Å; P351-C354 CarbonylContact O-C 3.54Å; P351-C354 PolarHBondContact O-N 2.86Å; P351-D355 WeakPolarHBondContact O-CB 3.41Å; P351-D355 VanDerWaalsContact O-CG 3.31Å; P351-D355 PolarHBondContact O-N 2.86Å
352	T	91.9	Very high	91	Very high	74 Å²	74	56.6 Å²	56.6	45%	0.454	33%	0.333	S	S	.	.	H	α-helix	trans	-61	-44.3	177.7	-53.9	0	0	0	0	111.9	G348 L349 A350 D355 I356	G348-T352 PolarHBondContact O-OG1 2.68Å; L349-T352 PolarHBondContact O-N 3.08Å; A350-T352 VanDerWaalsContact C-N 3.34Å; A350-T352 PolarHBondContact O-N 2.72Å; T352-D355 WeakPolarHBondContact O-CB 3.39Å; T352-D355 PolarHBondContact O-N 3.45Å; T352-I356 WeakPolarHBondContact O-CG1 3.12Å; T352-I356 PolarHBondContact O-N 2.04Å; T352-I356 VanDerWaalsContact O-N 3.09Å
353	V	92	Very high	90.4	Very high	58 Å²	58	65.5 Å²	65.5	35%	0.352	36%	0.357	S	S	.	.	H	α-helix	trans	-67.2	-42.1	175.4	173	0	0	0	0	110.9	L31 L349 A350 P351 D355 I356 I357	L31-V353 HydrophobicContact CD1-CB 3.96Å; L31-V353 HydrophobicContact CD1-CG1 3.72Å; L349-V353 WeakPolarHBondContact O-CG2 3.48Å; L349-V353 PolarHBondContact O-N 3.42Å; A350-V353 PolarHBondContact O-N 2.83Å; P351-V353 PolarHBondContact O-N 2.73Å; V353-D355 VanDerWaalsContact C-N 3.29Å; V353-D355 PolarHBondContact O-N 2.83Å; V353-I356 PolarHBondContact O-N 3.07Å; V353-I357 HydrophobicContact CG1-CD1 3.87Å; V353-I357 HydrophobicContact CG1-CG1 4.5Å; V353-I357 VanDerWaalsContact O-CG1 3.28Å; V353-I357 WeakPolarHBondContact O-CG1 3.24Å; V353-I357 PolarHBondContact O-N 2.92Å
354	C	91.1	Very high	89.7	Confident	8 Å²	8	67.9 Å²	67.9	5%	0.054	37%	0.372	C	S	.	.	H	α-helix	trans	-63.1	-35.8	176.5	-67.6	0	0	0	0	112.3	I24 Q28 A350 P351 I357 A358	I24-C354 HydrophobicContact CG2-CB 4.28Å; Q28-C354 VanDerWaalsContact CA-SG 3.52Å; Q28-C354 VanDerWaalsContact CB-SG 3.59Å; A350-C354 WeakPolarHBondContact O-CB 3.42Å; A350-C354 PolarHBondContact O-N 2.79Å; A350-C354 PolarHBondContact O-SG 2.03Å; P351-C354 CarbonylContact O-C 3.54Å; P351-C354 PolarHBondContact O-N 2.86Å; C354-I357 PolarHBondContact O-N 3.33Å; C354-A358 VanDerWaalsContact O-CB 3.24Å; C354-A358 WeakPolarHBondContact O-CB 3.04Å; C354-A358 PolarHBondContact O-N 3.11Å
355	D	90.3	Very high	89.3	Confident	57 Å²	57	68.6 Å²	68.6	31%	0.305	37%	0.368	S	S	.	.	H	α-helix	trans	-63.2	-46.3	173.6	-83	-33.3	0	0	0	111.5	P351 T352 V353 I357 A358 L359 K372	P351-D355 WeakPolarHBondContact O-CB 3.41Å; P351-D355 VanDerWaalsContact O-CG 3.31Å; P351-D355 PolarHBondContact O-N 2.86Å; T352-D355 WeakPolarHBondContact O-CB 3.39Å; T352-D355 PolarHBondContact O-N 3.45Å; V353-D355 VanDerWaalsContact C-N 3.29Å; V353-D355 PolarHBondContact O-N 2.83Å; D355-I357 VanDerWaalsContact C-N 3.29Å; D355-I357 PolarHBondContact O-N 3.18Å; D355-A358 PolarHBondContact O-N 2.83Å; D355-L359 VanDerWaalsContact O-CB 3.28Å; D355-L359 WeakPolarHBondContact O-CB 3.46Å; D355-L359 VanDerWaalsContact O-CG 3.24Å; D355-L359 WeakPolarHBondContact O-CG 3.32Å; D355-L359 PolarHBondContact O-N 3.01Å; D355-K372 IonicContact OD1-NZ 3.89Å; D355-K372 PolarHBondContact OD1-NZ 2.99Å; D355-K372 IonicContact OD2-NZ 3.79Å; D355-K372 PolarHBondContact OD2-NZ 3.11Å
356	I	90.3	Very high	88.7	Confident	95 Å²	95	69 Å²	69	49%	0.487	36%	0.36	S	S	.	.	H	α-helix	trans	-59.1	-44	175.8	-67.6	165.4	0	0	0	110.1	T352 V353 N360	T352-I356 WeakPolarHBondContact O-CG1 3.12Å; T352-I356 PolarHBondContact O-N 2.04Å; T352-I356 VanDerWaalsContact O-N 3.09Å; V353-I356 PolarHBondContact O-N 3.07Å; I356-N360 VanDerWaalsContact O-CB 3.3Å; I356-N360 WeakPolarHBondContact O-CB 3.48Å; I356-N360 PolarHBondContact O-N 2.79Å; I356-N360 VanDerWaalsContact O-N 3.11Å; I356-N360 PolarHBondContact O-ND2 3.29Å
357	I	89.6	Confident	88.2	Confident	46 Å²	46	71 Å²	71	24%	0.236	37%	0.37	C	S	.	.	H	α-helix	trans	-65.4	-45.4	178	-65	166.2	0	0	0	110.9	T27 V353 C354 D355 L361 L362	T27-I357 HydrophobicContact CG2-CD1 3.94Å; V353-I357 HydrophobicContact CG1-CD1 3.87Å; V353-I357 HydrophobicContact CG1-CG1 4.5Å; V353-I357 VanDerWaalsContact O-CG1 3.28Å; V353-I357 WeakPolarHBondContact O-CG1 3.24Å; V353-I357 PolarHBondContact O-N 2.92Å; C354-I357 PolarHBondContact O-N 3.33Å; D355-I357 VanDerWaalsContact C-N 3.29Å; D355-I357 PolarHBondContact O-N 3.18Å; I357-L361 HydrophobicContact CB-CD1 4.36Å; I357-L361 HydrophobicContact CG1-CD1 4.1Å; I357-L361 HydrophobicContact CG2-CB 4.39Å; I357-L361 HydrophobicContact CG2-CD1 4.25Å; I357-L361 WeakPolarHBondContact O-CA 3.27Å; I357-L361 WeakPolarHBondContact O-CB 3.28Å; I357-L361 PolarHBondContact O-N 3.24Å; I357-L362 PolarHBondContact O-N 2.64Å
358	A	87.4	Confident	87.8	Confident	4 Å²	4	70.4 Å²	70.4	3%	0.033	36%	0.364	C	S	.	.	H	α-helix	trans	-68.3	-39.1	-176.1	0	0	0	0	0	113	I24 C354 D355 L362	I24-A358 HydrophobicContact CD1-CB 3.93Å; C354-A358 VanDerWaalsContact O-CB 3.24Å; C354-A358 WeakPolarHBondContact O-CB 3.04Å; C354-A358 PolarHBondContact O-N 3.11Å; D355-A358 PolarHBondContact O-N 2.83Å; A358-L362 HydrophobicContact CB-CD1 4.41Å
359	L	86.6	Confident	87.4	Confident	25 Å²	25	72.4 Å²	72.4	13%	0.131	36%	0.363	C	S	.	.	H	α-helix	trans	-82.9	-26	-176.7	-64.8	171	0	0	0	113.3	D355 Q369 K372 F373	D355-L359 VanDerWaalsContact O-CB 3.28Å; D355-L359 WeakPolarHBondContact O-CB 3.46Å; D355-L359 VanDerWaalsContact O-CG 3.24Å; D355-L359 WeakPolarHBondContact O-CG 3.32Å; D355-L359 PolarHBondContact O-N 3.01Å; L359-Q369 HydrophobicContact CD2-CG 3.68Å; L359-K372 HydrophobicContact CD1-CD 4.27Å; L359-K372 HydrophobicContact CD2-CD 4.5Å; L359-F373 HydrophobicContact CD1-CE2 4.03Å; L359-F373 HydrophobicContact CD1-CZ 4.24Å; L359-F373 HydrophobicContact CD2-CE2 4.04Å
360	N	88	Confident	87	Confident	106 Å²	106	77.4 Å²	77.4	57%	0.567	38%	0.376	S	S	*	.	H	α-helix	trans	-112.4	-33.8	-174.8	-60.7	-72.1	0	0	0	114.8	I356	I356-N360 VanDerWaalsContact O-CB 3.3Å; I356-N360 WeakPolarHBondContact O-CB 3.48Å; I356-N360 PolarHBondContact O-N 2.79Å; I356-N360 VanDerWaalsContact O-N 3.11Å; I356-N360 PolarHBondContact O-ND2 3.29Å
361	L	85.9	Confident	86.5	Confident	131 Å²	131	79.7 Å²	79.7	69%	0.686	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	-26.8	-167.8	-65	170.3	0	0	0	114.1	I357	I357-L361 HydrophobicContact CB-CD1 4.36Å; I357-L361 HydrophobicContact CG1-CD1 4.1Å; I357-L361 HydrophobicContact CG2-CB 4.39Å; I357-L361 HydrophobicContact CG2-CD1 4.25Å; I357-L361 WeakPolarHBondContact O-CA 3.27Å; I357-L361 WeakPolarHBondContact O-CB 3.28Å; I357-L361 PolarHBondContact O-N 3.24Å
362	L	84.8	Confident	86.2	Confident	35 Å²	35	81.1 Å²	81.1	18%	0.183	40%	0.395	C	S	.	.	S	Bend	trans	-79.1	140.5	-178.4	-76.3	173.7	0	0	0	112.2	I24 I357 A358 S364 R365 Y368	I24-L362 HydrophobicContact CD1-CD1 3.42Å; I24-L362 VanDerWaalsContact CD1-CD1 3.42Å; I24-L362 HydrophobicContact CG1-CD1 3.55Å; I357-L362 PolarHBondContact O-N 2.64Å; A358-L362 HydrophobicContact CB-CD1 4.41Å; L362-S364 PolarHBondContact O-N 3.39Å; L362-S364 VanDerWaalsContact O-N 3.17Å; L362-R365 WeakPolarHBondContact O-CB 3.24Å; L362-R365 PolarHBondContact O-N 2.85Å; L362-Y368 HydrophobicContact CB-CE2 4.27Å; L362-Y368 HydrophobicContact CD1-CE2 3.83Å
363	R	80.7	Confident	85.9	Confident	248 Å²	248	82.8 Å²	82.8	94%	0.936	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-29.7	177.3	-169.8	175	179.5	173.1	-0.3	112.8	R365	R363-R365 VanDerWaalsContact C-N 3.27Å; R363-R365 PolarHBondContact O-N 3.33Å
364	S	80.5	Confident	85.4	Confident	56 Å²	56	85.9 Å²	85.9	39%	0.392	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	22.2	178.3	-49	0	0	0	0	113.6	L362 D366 I367 Y368	L362-S364 PolarHBondContact O-N 3.39Å; L362-S364 VanDerWaalsContact O-N 3.17Å; S364-D366 PolarHBondContact O-N 3.48Å; S364-D366 VanDerWaalsContact O-N 3.17Å; S364-I367 PolarHBondContact O-N 2.96Å; S364-I367 VanDerWaalsContact O-N 3.11Å; S364-Y368 VanDerWaalsContact O-CD2 3.25Å; S364-Y368 WeakPolarHBondContact O-CD2 3.49Å; S364-Y368 PolarHBondContact O-N 3.15Å
365	R	83.5	Confident	84.7	Confident	126 Å²	126	88.7 Å²	88.7	48%	0.475	42%	0.424	S	S	.	.	H	α-helix	trans	-51.1	-38.3	-177.8	66	-176.6	-172.6	-171.2	-1.2	113.8	L362 R363 I367 Y368 Q369	L362-R365 WeakPolarHBondContact O-CB 3.24Å; L362-R365 PolarHBondContact O-N 2.85Å; R363-R365 VanDerWaalsContact C-N 3.27Å; R363-R365 PolarHBondContact O-N 3.33Å; R365-I367 VanDerWaalsContact C-N 3.29Å; R365-I367 PolarHBondContact O-N 2.82Å; R365-Y368 PolarHBondContact O-N 3.37Å; R365-Q369 WeakPolarHBondContact O-CB 3.31Å; R365-Q369 WeakPolarHBondContact O-CG 3.42Å; R365-Q369 PolarHBondContact O-N 2.96Å
366	D	82.8	Confident	84.2	Confident	81 Å²	81	91.6 Å²	91.6	43%	0.433	44%	0.438	S	S	.	.	H	α-helix	trans	-66	-35.1	-176.1	-59	-18	0	0	0	111.3	S364 R370	S364-D366 PolarHBondContact O-N 3.48Å; S364-D366 VanDerWaalsContact O-N 3.17Å; D366-R370 VanDerWaalsContact O-CG 3.31Å; D366-R370 WeakPolarHBondContact O-CG 3.31Å; D366-R370 PolarHBondContact O-N 2.82Å; D366-R370 VanDerWaalsContact O-N 3.13Å
367	I	84.9	Confident	83.6	Confident	107 Å²	107	90.4 Å²	90.4	55%	0.549	44%	0.443	S	S	.	.	H	α-helix	trans	-68.4	-44.1	176.1	-57.3	176.1	0	0	0	109.7	S364 R365 A371	S364-I367 PolarHBondContact O-N 2.96Å; S364-I367 VanDerWaalsContact O-N 3.11Å; R365-I367 VanDerWaalsContact C-N 3.29Å; R365-I367 PolarHBondContact O-N 2.82Å; I367-A371 WeakPolarHBondContact O-CB 3.33Å; I367-A371 PolarHBondContact O-N 2.84Å; I367-A371 VanDerWaalsContact O-N 3.11Å
368	Y	83.4	Confident	83	Confident	35 Å²	35	94 Å²	94	14%	0.137	46%	0.458	C	S	.	.	H	α-helix	trans	-66.5	-39.1	178	-64.2	-53.8	0	0	0	112.7	I19 N21 I24 L362 S364 R365 A371 K372	I19-Y368 HydrophobicContact CB-CE1 4.33Å; I19-Y368 HydrophobicContact CD1-CD1 3.78Å; I19-Y368 HydrophobicContact CD1-CE1 4.08Å; I19-Y368 HydrophobicContact CG1-CD1 4.06Å; I19-Y368 HydrophobicContact CG1-CE1 4.06Å; I19-Y368 HydrophobicContact CG2-CD1 4.18Å; I19-Y368 HydrophobicContact CG2-CE1 3.36Å; N21-Y368 PolarHBondContact ND2-OH 3.47Å; I24-Y368 HydrophobicContact CD1-CE1 4.48Å; I24-Y368 HydrophobicContact CD1-CE2 4.33Å; L362-Y368 HydrophobicContact CB-CE2 4.27Å; L362-Y368 HydrophobicContact CD1-CE2 3.83Å; S364-Y368 VanDerWaalsContact O-CD2 3.25Å; S364-Y368 WeakPolarHBondContact O-CD2 3.49Å; S364-Y368 PolarHBondContact O-N 3.15Å; R365-Y368 PolarHBondContact O-N 3.37Å; Y368-A371 PolarHBondContact O-N 2.98Å; Y368-K372 WeakPolarHBondContact O-CB 3.29Å; Y368-K372 PolarHBondContact O-N 2.75Å
369	Q	84.7	Confident	82.4	Confident	81 Å²	81	98.5 Å²	98.5	38%	0.379	48%	0.479	S	S	.	.	H	α-helix	trans	-62.7	-47.3	176.6	-78	179.6	-1.7	0	0	111.6	L359 R365 A371 K372 F373	L359-Q369 HydrophobicContact CD2-CG 3.68Å; R365-Q369 WeakPolarHBondContact O-CB 3.31Å; R365-Q369 WeakPolarHBondContact O-CG 3.42Å; R365-Q369 PolarHBondContact O-N 2.96Å; Q369-A371 VanDerWaalsContact C-N 3.3Å; Q369-A371 PolarHBondContact O-N 2.87Å; Q369-K372 PolarHBondContact O-N 3.18Å; Q369-F373 PolarHBondContact O-N 2.03Å
370	R	83.6	Confident	82	Confident	199 Å²	199	103.5 Å²	103.5	75%	0.751	50%	0.501	S	S	*	.	H	α-helix	trans	-64.7	-32.4	177.8	-70.6	177.5	-169	171.9	4.4	113.3	D366	D366-R370 VanDerWaalsContact O-CG 3.31Å; D366-R370 WeakPolarHBondContact O-CG 3.31Å; D366-R370 PolarHBondContact O-N 2.82Å; D366-R370 VanDerWaalsContact O-N 3.13Å
371	A	83.1	Confident	81.7	Confident	48 Å²	48	101 Å²	101	40%	0.397	50%	0.496	S	S	.	.	H	α-helix	trans	-76.1	-35.1	178	0	0	0	0	0	112.7	V17 I367 Y368 Q369	V17-A371 HydrophobicContact CG1-CB 4.12Å; V17-A371 WeakPolarHBondContact CG2-O 3.37Å; I367-A371 WeakPolarHBondContact O-CB 3.33Å; I367-A371 PolarHBondContact O-N 2.84Å; I367-A371 VanDerWaalsContact O-N 3.11Å; Y368-A371 PolarHBondContact O-N 2.98Å; Q369-A371 VanDerWaalsContact C-N 3.3Å; Q369-A371 PolarHBondContact O-N 2.87Å
372	K	84.9	Confident	81.5	Confident	83 Å²	83	100.8 Å²	100.8	36%	0.361	49%	0.491	S	S	.	.	H	α-helix	trans	-85.2	-37.7	-177.1	-174.2	174.2	-175.6	171.4	0	113.4	D355 L359 Y368 Q369	D355-K372 IonicContact OD1-NZ 3.89Å; D355-K372 PolarHBondContact OD1-NZ 2.99Å; D355-K372 IonicContact OD2-NZ 3.79Å; D355-K372 PolarHBondContact OD2-NZ 3.11Å; L359-K372 HydrophobicContact CD1-CD 4.27Å; L359-K372 HydrophobicContact CD2-CD 4.5Å; Y368-K372 WeakPolarHBondContact O-CB 3.29Å; Y368-K372 PolarHBondContact O-N 2.75Å; Q369-K372 PolarHBondContact O-N 3.18Å
373	F	86.3	Confident	81.4	Confident	110 Å²	110	102.8 Å²	102.8	48%	0.482	50%	0.502	S	S	.	.			trans	-112.7	111.3	-174.8	-58.4	-69.3	0	0	0	110.1	L359 Q369	L359-F373 HydrophobicContact CD1-CE2 4.03Å; L359-F373 HydrophobicContact CD1-CZ 4.24Å; L359-F373 HydrophobicContact CD2-CE2 4.04Å; Q369-F373 PolarHBondContact O-N 2.03Å
374	E	80.1	Confident	81.5	Confident	123 Å²	123	94.3 Å²	94.3	58%	0.575	48%	0.48	S	S	*	.			trans	-85.1	114.9	164.8	-70.4	175.3	-164.1	0	0	107.5	K15 I376	K15-E374 IonicContact NZ-OE1 2.67Å; K15-E374 PolarHBondContact NZ-OE1 2.9Å; E374-I376 PolarHBondContact O-N 2.58Å
375	T	78.3	Confident	81.8	Confident	66 Å²	66	94 Å²	94	41%	0.405	48%	0.478	S	S	.	.			trans	-77.6	124.8	176.5	68.6	0	0	0	0	109.1	A377 E378 E379	T375-A377 PolarHBondContact O-N 2.83Å; T375-E378 PolarHBondContact O-N 3.48Å; T375-E378 WeakPolarHBondContact OG1-CB 3.25Å; T375-E378 WeakPolarHBondContact OG1-CG 3.21Å; T375-E378 PolarHBondContact OG1-OE2 2.83Å; T375-E379 PolarHBondContact O-N 2.81Å
376	I	79.1	Confident	81.8	Confident	118 Å²	118	96.3 Å²	96.3	61%	0.605	49%	0.487	S	S	*	.	H	α-helix	trans	-54.3	-32.5	-176.9	-61.8	172.3	0	0	0	111.5	E374 E379 Q380	E374-I376 PolarHBondContact O-N 2.58Å; I376-E379 PolarHBondContact O-N 3.24Å; I376-Q380 HydrophobicContact CG2-CG 4.3Å; I376-Q380 WeakPolarHBondContact O-CB 3.2Å; I376-Q380 VanDerWaalsContact O-CG 3.23Å; I376-Q380 WeakPolarHBondContact O-CG 3.08Å; I376-Q380 PolarHBondContact O-N 2.83Å
377	A	77.5	Confident	82	Confident	71 Å²	71	101.6 Å²	101.6	59%	0.587	50%	0.501	S	S	*	.	H	α-helix	trans	-64.5	-41.9	177	0	0	0	0	0	112.9	T375 A381	T375-A377 PolarHBondContact O-N 2.83Å; A377-A381 WeakPolarHBondContact O-CB 3.43Å; A377-A381 PolarHBondContact O-N 3.06Å
378	E	76	Confident	82	Confident	120 Å²	120	99.1 Å²	99.1	56%	0.561	50%	0.496	S	S	*	.	H	α-helix	trans	-67.6	-39.8	176.9	-74.2	169.5	162.5	0	0	111.3	T375 A381 H382	T375-E378 PolarHBondContact O-N 3.48Å; T375-E378 WeakPolarHBondContact OG1-CB 3.25Å; T375-E378 WeakPolarHBondContact OG1-CG 3.21Å; T375-E378 PolarHBondContact OG1-OE2 2.83Å; E378-A381 PolarHBondContact O-N 2.8Å; E378-H382 WeakPolarHBondContact O-CB 2.99Å; E378-H382 PolarHBondContact O-N 2.96Å
379	E	75.1	Confident	82.1	Confident	100 Å²	100	101.8 Å²	101.8	47%	0.467	51%	0.513	S	S	.	.	H	α-helix	trans	-65.5	-43.6	176.9	-164.6	-171.9	178.7	0	0	111.5	T375 I376 A381 H382 L383	T375-E379 PolarHBondContact O-N 2.81Å; I376-E379 PolarHBondContact O-N 3.24Å; E379-A381 VanDerWaalsContact C-N 3.29Å; E379-A381 PolarHBondContact O-N 3.41Å; E379-H382 PolarHBondContact O-N 2.99Å; E379-L383 HydrophobicContact CG-CD1 4.09Å; E379-L383 HydrophobicContact CG-CG 4.5Å; E379-L383 WeakPolarHBondContact O-CB 3.27Å; E379-L383 WeakPolarHBondContact O-CG 3.19Å; E379-L383 PolarHBondContact O-N 2.78Å
380	Q	79.1	Confident	81.9	Confident	129 Å²	129	105.7 Å²	105.7	60%	0.603	53%	0.529	S	S	*	.	H	α-helix	trans	-60.4	-38.9	174.2	-74.3	176.8	-2.7	0	0	111.9	I376 S384	I376-Q380 HydrophobicContact CG2-CG 4.3Å; I376-Q380 WeakPolarHBondContact O-CB 3.2Å; I376-Q380 VanDerWaalsContact O-CG 3.23Å; I376-Q380 WeakPolarHBondContact O-CG 3.08Å; I376-Q380 PolarHBondContact O-N 2.83Å; Q380-S384 WeakPolarHBondContact O-CB 3.42Å; Q380-S384 PolarHBondContact O-N 3.46Å; Q380-S384 PolarHBondContact O-OG 3.31Å; Q380-S384 VanDerWaalsContact O-OG 3.1Å
381	A	81.4	Confident	81.8	Confident	55 Å²	55	99.2 Å²	99.2	46%	0.455	52%	0.518	S	S	.	.	H	α-helix	trans	-67.8	-40.1	174.5	0	0	0	0	0	112.3	A377 E378 E379 S384 S385	A377-A381 WeakPolarHBondContact O-CB 3.43Å; A377-A381 PolarHBondContact O-N 3.06Å; E378-A381 PolarHBondContact O-N 2.8Å; E379-A381 VanDerWaalsContact C-N 3.29Å; E379-A381 PolarHBondContact O-N 3.41Å; A381-S384 WeakPolarHBondContact CA-OG 3.38Å; A381-S384 PolarHBondContact O-N 3.05Å; A381-S384 PolarHBondContact O-OG 3.21Å; A381-S385 PolarHBondContact O-N 3.04Å; A381-S385 PolarHBondContact O-OG 3.41Å
382	H	81.8	Confident	81.6	Confident	125 Å²	125	103.6 Å²	103.6	58%	0.579	53%	0.53	S	S	*	.	H	α-helix	trans	-68.3	-38.2	176.3	-109	-70.5	0	0	0	112.9	E378 E379 S385 R386	E378-H382 WeakPolarHBondContact O-CB 2.99Å; E378-H382 PolarHBondContact O-N 2.96Å; E379-H382 PolarHBondContact O-N 2.99Å; H382-S385 WeakPolarHBondContact CA-OG 3.19Å; H382-S385 PolarHBondContact O-OG 2.74Å; H382-R386 WeakPolarHBondContact O-CB 3.47Å; H382-R386 WeakPolarHBondContact O-CG 3.37Å; H382-R386 PolarHBondContact O-N 2.86Å
383	L	82.9	Confident	81.2	Confident	78 Å²	78	109.5 Å²	109.5	41%	0.408	55%	0.55	S	S	.	.	H	α-helix	trans	-68.7	-39.7	175.8	-74.7	167.1	0	0	0	111.5	E379 R387	E379-L383 HydrophobicContact CG-CD1 4.09Å; E379-L383 HydrophobicContact CG-CG 4.5Å; E379-L383 WeakPolarHBondContact O-CB 3.27Å; E379-L383 WeakPolarHBondContact O-CG 3.19Å; E379-L383 PolarHBondContact O-N 2.78Å; L383-R387 WeakPolarHBondContact O-CB 3.33Å; L383-R387 VanDerWaalsContact O-CG 3.27Å; L383-R387 WeakPolarHBondContact O-CG 3.41Å; L383-R387 PolarHBondContact O-N 3.26Å
384	S	83.4	Confident	80.5	Confident	69 Å²	69	112.2 Å²	112.2	48%	0.483	56%	0.562	S	S	.	*	H	α-helix	trans	-67.1	-42.4	176.9	63.7	0	0	0	0	112.1	Q380 A381 R387 A388	Q380-S384 WeakPolarHBondContact O-CB 3.42Å; Q380-S384 PolarHBondContact O-N 3.46Å; Q380-S384 PolarHBondContact O-OG 3.31Å; Q380-S384 VanDerWaalsContact O-OG 3.1Å; A381-S384 WeakPolarHBondContact CA-OG 3.38Å; A381-S384 PolarHBondContact O-N 3.05Å; A381-S384 PolarHBondContact O-OG 3.21Å; S384-R387 PolarHBondContact O-N 2.87Å; S384-A388 PolarHBondContact O-N 3.34Å
385	S	85.2	Confident	80.2	Confident	51 Å²	51	114.8 Å²	114.8	36%	0.357	57%	0.571	S	S	.	*	H	α-helix	trans	-63.7	-44.6	173.7	55.2	0	0	0	0	112.8	A381 H382 R387 A388 D389	A381-S385 PolarHBondContact O-N 3.04Å; A381-S385 PolarHBondContact O-OG 3.41Å; H382-S385 WeakPolarHBondContact CA-OG 3.19Å; H382-S385 PolarHBondContact O-OG 2.74Å; S385-R387 VanDerWaalsContact C-N 3.27Å; S385-R387 PolarHBondContact O-N 3.43Å; S385-A388 WeakPolarHBondContact O-CA 3.46Å; S385-A388 WeakPolarHBondContact O-CB 3.35Å; S385-A388 PolarHBondContact O-N 3.1Å; S385-D389 PolarHBondContact O-N 2.72Å
386	R	85.3	Confident	79.5	Confident	173 Å²	173	120.8 Å²	120.8	65%	0.653	59%	0.587	S	S	*	*	H	α-helix	trans	-60.4	-35	174.4	-79.5	-178	169.3	-173.5	-0.2	113.2	H382 K390	H382-R386 WeakPolarHBondContact O-CB 3.47Å; H382-R386 WeakPolarHBondContact O-CG 3.37Å; H382-R386 PolarHBondContact O-N 2.86Å; R386-K390 PolarHBondContact O-N 3.46Å
387	R	86.1	Confident	78.6	Confident	192 Å²	192	117.1 Å²	117.1	73%	0.725	58%	0.579	S	S	*	*	H	α-helix	trans	-67.4	-39.7	173.5	-75.9	173.9	179.7	177.8	2	111.1	L383 S384 S385 A391	L383-R387 WeakPolarHBondContact O-CB 3.33Å; L383-R387 VanDerWaalsContact O-CG 3.27Å; L383-R387 WeakPolarHBondContact O-CG 3.41Å; L383-R387 PolarHBondContact O-N 3.26Å; S384-R387 PolarHBondContact O-N 2.87Å; S385-R387 VanDerWaalsContact C-N 3.27Å; S385-R387 PolarHBondContact O-N 3.43Å; R387-A391 PolarHBondContact O-N 2.83Å
388	A	85.6	Confident	77.6	Confident	55 Å²	55	120.2 Å²	120.2	46%	0.455	59%	0.585	S	S	.	*	H	α-helix	trans	-64.1	-45.1	175.5	0	0	0	0	0	112.4	S384 S385 K390 A391 Q392	S384-A388 PolarHBondContact O-N 3.34Å; S385-A388 WeakPolarHBondContact O-CA 3.46Å; S385-A388 WeakPolarHBondContact O-CB 3.35Å; S385-A388 PolarHBondContact O-N 3.1Å; A388-K390 PolarHBondContact O-N 2.95Å; A388-A391 WeakPolarHBondContact O-CB 3.41Å; A388-A391 PolarHBondContact O-N 3.4Å; A388-A391 VanDerWaalsContact O-N 3.14Å; A388-Q392 PolarHBondContact O-N 2.83Å
389	D	84.2	Confident	76.5	Confident	91 Å²	91	118.7 Å²	118.7	49%	0.487	59%	0.587	S	S	.	*	H	α-helix	trans	-63.8	-41.9	179.3	-73.9	-13.8	0	0	0	112.8	S385 A391 Q392 R393	S385-D389 PolarHBondContact O-N 2.72Å; D389-A391 VanDerWaalsContact C-N 3.26Å; D389-A391 PolarHBondContact O-N 2.95Å; D389-Q392 PolarHBondContact O-N 2.87Å; D389-R393 PolarHBondContact O-N 2.86Å
390	K	82	Confident	75.5	Confident	164 Å²	164	120.3 Å²	120.3	71%	0.713	59%	0.593	S	S	*	*	H	α-helix	trans	-62.5	-35.4	175	-79.9	-174.7	178.5	-179	0	111.8	R386 A388 K394	R386-K390 PolarHBondContact O-N 3.46Å; A388-K390 PolarHBondContact O-N 2.95Å; K390-K394 PolarHBondContact O-N 2.98Å
391	A	79.9	Confident	74.1	Confident	63 Å²	63	124.3 Å²	124.3	52%	0.521	60%	0.603	S	S	.	*	H	α-helix	trans	-67.8	-41	175.8	0	0	0	0	0	111.7	R387 A388 D389 K395	R387-A391 PolarHBondContact O-N 2.83Å; A388-A391 WeakPolarHBondContact O-CB 3.41Å; A388-A391 PolarHBondContact O-N 3.4Å; A388-A391 VanDerWaalsContact O-N 3.14Å; D389-A391 VanDerWaalsContact C-N 3.26Å; D389-A391 PolarHBondContact O-N 2.95Å; A391-K395 PolarHBondContact O-N 3.38Å
392	Q	79	Confident	72.5	Confident	139 Å²	139	128.8 Å²	128.8	65%	0.65	62%	0.619	S	S	*	*	H	α-helix	trans	-65	-44.4	175.4	-89.7	-176.1	-30.9	0	0	113	A388 D389 K394 K395 Y396	A388-Q392 PolarHBondContact O-N 2.83Å; D389-Q392 PolarHBondContact O-N 2.87Å; Q392-K394 VanDerWaalsContact C-N 3.34Å; Q392-K394 PolarHBondContact O-N 3.42Å; Q392-K395 WeakPolarHBondContact O-CB 3.49Å; Q392-K395 PolarHBondContact O-N 3.49Å; Q392-Y396 PolarHBondContact O-N 2.96Å; Q392-Y396 VanDerWaalsContact O-N 3.14Å
393	R	76.3	Confident	71.1	Confident	207 Å²	207	128.5 Å²	128.5	78%	0.781	63%	0.626	S	S	*	*	H	α-helix	trans	-61.3	-38.8	179.5	-77.7	-175.1	177.9	-176.3	0.3	113.2	D389 K395 Y396 G397	D389-R393 PolarHBondContact O-N 2.86Å; R393-K395 VanDerWaalsContact C-N 3.26Å; R393-K395 PolarHBondContact O-N 3.24Å; R393-Y396 PolarHBondContact O-N 3.11Å; R393-G397 PolarHBondContact O-N 2.98Å
394	K	73.2	Confident	69.4	Low	168 Å²	168	131.9 Å²	131.9	73%	0.73	64%	0.64	S	S	*	*	H	α-helix	trans	-61.4	-35.8	174	-93.2	-174.4	174.5	-177	0	112.3	K390 Q392 L398	K390-K394 PolarHBondContact O-N 2.98Å; Q392-K394 VanDerWaalsContact C-N 3.34Å; Q392-K394 PolarHBondContact O-N 3.42Å; K394-L398 PolarHBondContact O-N 3.01Å
395	K	72.7	Confident	67.4	Low	176 Å²	176	134.7 Å²	134.7	77%	0.765	65%	0.654	S	S	*	*	H	α-helix	trans	-69.8	-41.3	-179.9	-146.7	176.5	-175.5	-178	0	111.7	A391 Q392 R393	A391-K395 PolarHBondContact O-N 3.38Å; Q392-K395 WeakPolarHBondContact O-CB 3.49Å; Q392-K395 PolarHBondContact O-N 3.49Å; R393-K395 VanDerWaalsContact C-N 3.26Å; R393-K395 PolarHBondContact O-N 3.24Å
396	Y	64.8	Low	65.2	Low	192 Å²	192	139.7 Å²	139.7	75%	0.753	68%	0.675	S	S	*	*	H	α-helix	trans	-73.1	-36.3	178.9	-133.2	-93.1	0	0	0	113	Q392 R393 L398 S399 K400	Q392-Y396 PolarHBondContact O-N 2.96Å; Q392-Y396 VanDerWaalsContact O-N 3.14Å; R393-Y396 PolarHBondContact O-N 3.11Å; Y396-L398 VanDerWaalsContact C-N 3.34Å; Y396-L398 PolarHBondContact O-N 2.63Å; Y396-S399 PolarHBondContact O-N 2.94Å; Y396-K400 PolarHBondContact O-N 2.8Å
397	G	58.6	Low	62.7	Low	41 Å²	41	138.9 Å²	138.9	42%	0.423	68%	0.684	S	S	.	*	H	α-helix	trans	-68.2	-26.7	178.1	0	0	0	0	0	114.6	R393	R393-G397 PolarHBondContact O-N 2.98Å
398	L	56.7	Low	60.1	Low	136 Å²	136	138.2 Å²	138.2	71%	0.712	69%	0.689	S	S	*	*	H	α-helix	trans	-72.8	-31.7	171.7	-108.9	92.9	0	0	0	112.3	K394 Y396	K394-L398 PolarHBondContact O-N 3.01Å; Y396-L398 VanDerWaalsContact C-N 3.34Å; Y396-L398 PolarHBondContact O-N 2.63Å
399	S	54.2	Low	57.4	Low	88 Å²	88	142.6 Å²	142.6	62%	0.615	71%	0.705	S	S	*	*	H	α-helix	trans	-72.6	-30.8	-177.3	-166.5	0	0	0	0	113	Y396	Y396-S399 PolarHBondContact O-N 2.94Å
400	K	53.7	Low	54.8	Low	135 Å²	135	143.1 Å²	143.1	59%	0.587	72%	0.715	S	S	*	*	H	α-helix	trans	-80.5	-20.9	-176.6	-124	-173.5	178.5	-159.8	0	114	Y396 N402	Y396-K400 PolarHBondContact O-N 2.8Å; K400-N402 PolarHBondContact O-N 2.75Å
401	R	48.8	Very low	52.5	Low	213 Å²	213	142.6 Å²	142.6	80%	0.804	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-6.5	-175.3	-146.6	-180	-78.1	-169.4	-6.5	113.9
402	N	48.3	Very low	50.5	Low	149 Å²	149	148.5 Å²	148.5	80%	0.797	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97	-1.1	179.9	-78.9	-3	0	0	0	114.6	K400	K400-N402 PolarHBondContact O-N 2.75Å
403	T	52.8	Low	48.4	Very low	119 Å²	119	150.1 Å²	150.1	73%	0.73	75%	0.75	S	S	*	*	S	Bend	trans	-120.2	-2.9	-167.8	-39.1	0	0	0	0	114.7
404	E	47	Very low	46.4	Very low	148 Å²	148	144.1 Å²	144.1	69%	0.692	75%	0.753	S	S	*	*			trans	-113.3	76.8	-172.5	-70.7	171.9	-179.4	0	0	111.8
405	T	40.9	Very low	44.5	Very low	129 Å²	129	146.3 Å²	146.3	79%	0.791	76%	0.762	S	S	*	*			trans	-138.1	122.5	158.3	-4.9	0	0	0	0	106.6
406	I	39.3	Very low	42.3	Very low	155 Å²	155	145.3 Å²	145.3	80%	0.795	76%	0.764	S	S	*	*	S	Bend	trans	123.3	109.2	174.4	-63.6	159.6	0	0	0	112.3
407	N	33.2	Very low	40.7	Very low	157 Å²	157	144.3 Å²	144.3	84%	0.84	77%	0.77	S	S	*	*			trans	92.3	107.8	159.1	-63.1	-13.1	0	0	0	120.3
408	E	31.2	Very low	39.2	Very low	178 Å²	178	148.1 Å²	148.1	83%	0.832	78%	0.776	S	S	*	*			trans	-83	151.7	163.1	-90.7	178.6	150.8	0	0	112.6
409	N	28.6	Very low	37.9	Very low	147 Å²	147	151.2 Å²	151.2	79%	0.786	78%	0.779	S	S	*	*			trans	118.8	138.2	144.5	-69.7	-26.2	0	0	0	119.7
410	S	30.6	Very low	36.8	Very low	101 Å²	101	153.2 Å²	153.2	71%	0.706	78%	0.777	S	S	*	*			trans	93.1	98.5	165.8	67	0	0	0	0	119.2
411	D	32.9	Very low	36	Very low	153 Å²	153	154.9 Å²	154.9	82%	0.818	79%	0.792	S	S	*	*				80.3	136.6	115.8	-61.6	-20.5	0	0	0	124.1
412	E	37.7	Very low	35.3	Very low	188 Å²	188	150.4 Å²	150.4	88%	0.879	78%	0.784	S	S	*	*			trans	87	103.6	146.5	-78	-178	166.7	0	0	122.6
413	N	35.7	Very low	34.7	Very low	172 Å²	172	151.8 Å²	151.8	92%	0.92	79%	0.785	S	S	*	*			trans	-11.7	125.4	152.6	-73.5	-31.6	0	0	0	119.3
414	G	34.4	Very low	33.7	Very low	81 Å²	81	155 Å²	155	84%	0.835	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-100.9	148.2	171.4	0	0	0	0	0	115
415	K	32.8	Very low	33.2	Very low	214 Å²	214	154.7 Å²	154.7	93%	0.93	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-61.3	156.9	-176.5	-83.2	168.9	168.9	171.4	0	117.1
416	I	26.3	Very low	32.7	Very low	156 Å²	156	153.7 Å²	153.7	80%	0.8	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-65.9	141.5	168.8	-60.8	163.6	0	0	0	112.5
417	I	32	Very low	32.3	Very low	170 Å²	170	152 Å²	152	87%	0.872	78%	0.779	S	S	*	*			trans	-137	128	155.2	-58.1	179.7	0	0	0	109
418	Q	25.8	Very low	32.2	Very low	121 Å²	121	148.6 Å²	148.6	57%	0.565	77%	0.768	S	S	*	*			trans	-120.5	139.3	173.8	-163.2	-179.4	-3.4	0	0	107.5
419	W	30.7	Very low	32.2	Very low	202 Å²	202	147 Å²	147	77%	0.765	77%	0.765	S	S	*	*				147.3	152.9	113.8	-69.2	105.9	0	0	0	105.1
420	K	29.6	Very low	32.5	Very low	130 Å²	130	145.8 Å²	145.8	57%	0.565	76%	0.763	S	S	*	*			cis	178	131.1	-10.9	175.3	179.3	-177.9	176.5	0	104.6	D422	K420-D422 WeakPolarHBondContact CE-OD1 3.3Å; K420-D422 WeakPolarHBondContact CE-OD2 3.4Å; K420-D422 IonicContact NZ-OD2 3.01Å; K420-D422 PolarHBondContact NZ-OD2 3.17Å
421	D	37.5	Very low	32.6	Very low	170 Å²	170	149.8 Å²	149.8	91%	0.909	77%	0.771	S	S	*	*			trans	-144.8	106.1	158.1	-92.7	-31.6	0	0	0	107.5
422	D	34.1	Very low	32.6	Very low	119 Å²	119	148.2 Å²	148.2	64%	0.636	77%	0.767	S	S	*	*			trans	-88.8	109.8	-176.5	-66.8	-12.9	0	0	0	110.4	K420	K420-D422 WeakPolarHBondContact CE-OD1 3.3Å; K420-D422 WeakPolarHBondContact CE-OD2 3.4Å; K420-D422 IonicContact NZ-OD2 3.01Å; K420-D422 PolarHBondContact NZ-OD2 3.17Å
423	Q	35.8	Very low	32.4	Very low	177 Å²	177	146.2 Å²	146.2	83%	0.827	76%	0.761	S	S	*	*			trans	-151.5	92.5	138	-84.1	-157.8	-22.5	0	0	107.5	F425	Q423-F425 PolarHBondContact O-N 2.94Å
424	E	32.2	Very low	32.4	Very low	186 Å²	186	146.6 Å²	146.6	87%	0.869	76%	0.756	S	S	*	*			trans	-82.2	111.3	179.6	-129.2	173.2	-173.9	0	0	110
425	F	35.7	Very low	32.3	Very low	142 Å²	142	147.9 Å²	147.9	62%	0.623	75%	0.753	S	S	*	*			trans	-87.5	110	159.6	-90.9	-93.5	0	0	0	107.8	Q423 V427	Q423-F425 PolarHBondContact O-N 2.94Å; F425-V427 PolarHBondContact O-N 2.98Å
426	T	29.7	Very low	32.6	Very low	109 Å²	109	142.6 Å²	142.6	67%	0.669	74%	0.743	S	S	*	*			trans	-79.2	109.3	170.6	49.5	0	0	0	0	109.5	S428	T426-S428 PolarHBondContact O-N 3.18Å
427	V	32.1	Very low	32.9	Very low	119 Å²	119	145.8 Å²	145.8	72%	0.721	77%	0.77	S	S	*	*			trans	-81.5	100.1	160	-179.9	0	0	0	0	106.1	F425 D429	F425-V427 PolarHBondContact O-N 2.98Å; V427-D429 PolarHBondContact O-N 3.33Å
428	S	31.1	Very low	33	Very low	86 Å²	86	144.6 Å²	144.6	60%	0.601	77%	0.765	S	S	*	*			trans	-85.2	92.1	177.6	59.7	0	0	0	0	110.2	T426	T426-S428 PolarHBondContact O-N 3.18Å
429	D	31.2	Very low	33.4	Very low	145 Å²	145	145.8 Å²	145.8	78%	0.775	78%	0.775	S	S	*	*			trans	-88.3	91.1	158.3	-75	-29.1	0	0	0	107.8	V427	V427-D429 PolarHBondContact O-N 3.33Å
430	T	34.2	Very low	33.5	Very low	120 Å²	120	142.7 Å²	142.7	74%	0.736	78%	0.776	S	S	*	*			trans	-163.6	98.4	164.3	-0.3	0	0	0	0	111.1
431	Q	33.4	Very low	33.7	Very low	185 Å²	185	143.4 Å²	143.4	86%	0.864	79%	0.788	S	S	*	*			trans	-100.6	100.1	153.4	-82.1	-171.6	-8.7	0	0	108
432	T	31.9	Very low	33.5	Very low	120 Å²	120	141.8 Å²	141.8	74%	0.736	78%	0.78	S	S	*	*			trans	-83.7	108.7	158.7	26.6	0	0	0	0	108.4	H434	T432-H434 PolarHBondContact O-N 3.29Å
433	I	35	Very low	33.5	Very low	147 Å²	147	143.3 Å²	143.3	75%	0.754	79%	0.79	S	S	*	*			trans	-73.6	111.8	168.6	-63.6	168.8	0	0	0	107.3
434	H	34.3	Very low	33.3	Very low	179 Å²	179	140.9 Å²	140.9	83%	0.829	79%	0.787	S	S	*	*			trans	-89.5	107.7	158.5	-93.1	-70.7	0	0	0	108.1	T432	T432-H434 PolarHBondContact O-N 3.29Å
435	S	32.4	Very low	33.4	Very low	109 Å²	109	137.4 Å²	137.4	76%	0.762	78%	0.781	S	S	*	*			trans	-81.2	126.1	158.1	45.7	0	0	0	0	108.6
436	S	38.8	Very low	33.2	Very low	103 Å²	103	137 Å²	137	72%	0.72	79%	0.794	S	S	*	*			trans	-133.1	111.2	162.9	50.4	0	0	0	0	106.6
437	T	33.9	Very low	33.5	Very low	222 Å²	222	139.5 Å²	139.5	100%	1.362	81%	0.806	S	S	*	*			trans	39.2	0	161.2	14	0	0	0	0	119.9

Retrieved 437 of 437 residues in 161.6 ms (Link to these results)

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