A0A093JRH3_STRCA Loading...

Pleckstrin homology domain-containing family M member 3

AlphaFold DB , UniProt , Accession A0A093JRH3, Species STRCA (Struthio camelus australis), Gene n/a, Length 759 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	34	Very low	31.6	Very low	232 Å²	232	144 Å²	144	100%	1.143	79%	0.787	S	S	*	*				0	111.3	0	-159.4	160	72.6	0	0	104.8
2	E	29.3	Very low	31.5	Very low	174 Å²	174	137.8 Å²	137.8	81%	0.813	77%	0.77	S	S	*	*			trans	-69.8	152.7	-150.6	-70.2	88.5	137.5	0	0	113.4
3	A	28	Very low	31.8	Very low	90 Å²	90	133.4 Å²	133.4	74%	0.744	74%	0.743	S	S	*	*			trans	-70.2	141.2	159.4	0	0	0	0	0	108.8
4	L	30.6	Very low	32.2	Very low	164 Å²	164	132 Å²	132	86%	0.859	73%	0.728	S	S	*	*			trans	-106.1	108	163.4	-75	171.3	0	0	0	107.3
5	E	31	Very low	32.4	Very low	181 Å²	181	130.3 Å²	130.3	85%	0.846	72%	0.723	S	S	*	*			trans	-66.3	140.2	171.4	-65	167.4	158.6	0	0	108.9
6	V	36	Very low	33.2	Very low	127 Å²	127	124 Å²	124	77%	0.77	69%	0.689	S	S	*	*			trans	-119.6	50.9	-176.6	-166.2	0	0	0	0	109.9
7	D	34.2	Very low	34	Very low	161 Å²	161	117.5 Å²	117.5	86%	0.861	65%	0.652	S	S	*	*			trans	-103.1	71.8	173.1	-86.9	-51.3	0	0	0	110.6
8	D	32.8	Very low	34.5	Very low	141 Å²	141	116.9 Å²	116.9	75%	0.754	65%	0.647	S	S	*	*			trans	-154.9	58.6	165.9	-139.2	-17	0	0	0	113.3
9	I	30.9	Very low	35.1	Very low	147 Å²	147	115.8 Å²	115.8	75%	0.754	64%	0.636	S	S	*	*			trans	-90.5	102.4	166.6	-59.9	-178.4	0	0	0	108.1	L13	I9-L13 HydrophobicContact CG2-CD1 3.89Å
10	S	31.6	Very low	35.8	Very low	69 Å²	69	110.7 Å²	110.7	48%	0.483	61%	0.606	S	S	.	*			trans	-66.6	156.3	-160	-39.4	0	0	0	0	115.3	A12	S10-A12 PolarHBondContact O-N 3.48Å
11	P	29.6	Very low	36.2	Very low	98 Å²	98	107.7 Å²	107.7	64%	0.636	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.5	-6	178.5	-27.2	35.7	0	0	0	117.1	L13 E14	P11-L13 PolarHBondContact O-N 3.1Å; P11-E14 PolarHBondContact O-N 3.3Å
12	A	30.2	Very low	36.5	Very low	70 Å²	70	101.1 Å²	101.1	58%	0.579	57%	0.567	S	S	*	*	H	α-helix	trans	-61.5	-25.2	-179.6	0	0	0	0	0	113.8	S10	S10-A12 PolarHBondContact O-N 3.48Å
13	L	35.7	Very low	37.4	Very low	80 Å²	80	97.1 Å²	97.1	42%	0.419	55%	0.547	S	S	.	.	H	α-helix	trans	-70.5	-46.4	175.8	-72.5	172	0	0	0	111.9	I9 P11 V15 T16 E17	I9-L13 HydrophobicContact CG2-CD1 3.89Å; P11-L13 PolarHBondContact O-N 3.1Å; L13-V15 VanDerWaalsContact C-N 3.27Å; L13-V15 PolarHBondContact O-N 3.37Å; L13-T16 PolarHBondContact O-N 3.13Å; L13-T16 PolarHBondContact O-OG1 2.9Å; L13-E17 PolarHBondContact O-N 3.1Å; L13-E17 VanDerWaalsContact O-N 3.16Å
14	E	36.4	Very low	38	Very low	114 Å²	114	95.6 Å²	95.6	53%	0.533	53%	0.526	S	S	.	.	H	α-helix	trans	-60.6	-36.8	-178	-61.1	-159.2	122.7	0	0	112.2	P11 T16 E17 D18	P11-E14 PolarHBondContact O-N 3.3Å; E14-T16 VanDerWaalsContact C-N 3.26Å; E14-T16 PolarHBondContact O-N 3.01Å; E14-E17 WeakPolarHBondContact O-CB 3.22Å; E14-E17 PolarHBondContact O-N 3.02Å; E14-D18 PolarHBondContact O-N 2.94Å
15	V	35.3	Very low	38.3	Very low	107 Å²	107	93 Å²	93	65%	0.648	52%	0.518	S	S	*	.	H	α-helix	trans	-61.5	-33	175.1	-179.9	0	0	0	0	112.2	L13 F19	L13-V15 VanDerWaalsContact C-N 3.27Å; L13-V15 PolarHBondContact O-N 3.37Å; V15-F19 WeakPolarHBondContact O-CB 3.38Å; V15-F19 PolarHBondContact O-N 3.43Å
16	T	45.7	Very low	38.7	Very low	29 Å²	29	92.5 Å²	92.5	18%	0.178	51%	0.513	C	S	.	.	H	α-helix	trans	-75.6	-32	173.7	66.8	0	0	0	0	112.6	L13 E14 F19 F20	L13-T16 PolarHBondContact O-N 3.13Å; L13-T16 PolarHBondContact O-OG1 2.9Å; E14-T16 VanDerWaalsContact C-N 3.26Å; E14-T16 PolarHBondContact O-N 3.01Å; T16-F19 WeakPolarHBondContact O-CB 3.45Å; T16-F20 WeakPolarHBondContact O-CD2 3.36Å; T16-F20 PolarHBondContact O-N 2.95Å; T16-F20 VanDerWaalsContact O-N 3.08Å
17	E	47.7	Very low	39	Very low	14 Å²	14	88.4 Å²	88.4	7%	0.065	49%	0.486	C	S	.	.	H	α-helix	trans	-69.1	-46.2	177.8	-66.5	178.5	-171.4	0	0	111.7	L13 E14 F19 F20 N21 R722	L13-E17 PolarHBondContact O-N 3.1Å; L13-E17 VanDerWaalsContact O-N 3.16Å; E14-E17 WeakPolarHBondContact O-CB 3.22Å; E14-E17 PolarHBondContact O-N 3.02Å; E17-F19 VanDerWaalsContact C-N 3.29Å; E17-F19 PolarHBondContact O-N 3.43Å; E17-F20 CarbonylContact O-C 3.59Å; E17-F20 PolarHBondContact O-N 3.42Å; E17-F20 VanDerWaalsContact O-N 3.09Å; E17-N21 WeakPolarHBondContact O-CB 3.36Å; E17-N21 PolarHBondContact O-N 3.17Å; E17-N21 PolarHBondContact O-ND2 3.44Å; E17-N21 VanDerWaalsContact O-ND2 3.1Å; E17-R722 IonicContact OE1-CZ 3.78Å; E17-R722 IonicContact OE1-NH1 2.73Å; E17-R722 PolarHBondContact OE1-NH1 2.95Å; E17-R722 IonicContact OE1-NH2 3.88Å; E17-R722 PolarHBondContact OE1-NH2 3.19Å; E17-R722 IonicContact OE2-CZ 2.6Å; E17-R722 IonicContact OE2-NH1 2.8Å; E17-R722 PolarHBondContact OE2-NH1 3.02Å; E17-R722 IonicContact OE2-NH2 2.76Å; E17-R722 PolarHBondContact OE2-NH2 3.02Å
18	D	41.8	Very low	39.1	Very low	106 Å²	106	85.7 Å²	85.7	57%	0.567	47%	0.471	S	S	*	.	H	α-helix	trans	-68.4	-29.7	177.7	-78.5	-13	0	0	0	112.4	E14 N21 S22	E14-D18 PolarHBondContact O-N 2.94Å; D18-N21 PolarHBondContact OD1-ND2 3.28Å; D18-S22 PolarHBondContact O-N 2.67Å
19	F	45.9	Very low	39.2	Very low	97 Å²	97	87.4 Å²	87.4	43%	0.425	47%	0.472	S	S	.	.	H	α-helix	trans	-56.6	-55.8	164.5	-175	-84.1	0	0	0	110.5	V15 T16 E17 N21 S22 F23 A611	V15-F19 WeakPolarHBondContact O-CB 3.38Å; V15-F19 PolarHBondContact O-N 3.43Å; T16-F19 WeakPolarHBondContact O-CB 3.45Å; E17-F19 VanDerWaalsContact C-N 3.29Å; E17-F19 PolarHBondContact O-N 3.43Å; F19-N21 VanDerWaalsContact C-N 3.35Å; F19-N21 PolarHBondContact O-N 3.29Å; F19-S22 PolarHBondContact O-N 3.01Å; F19-F23 HydrophobicContact CD1-CD2 4.22Å; F19-F23 AromaticContact CD1-CE2 3.68Å; F19-F23 HydrophobicContact CD1-CE2 3.68Å; F19-F23 HydrophobicContact CD2-CE2 4.16Å; F19-F23 HydrophobicContact CE1-CD2 4.07Å; F19-F23 AromaticContact CE1-CE2 3.42Å; F19-F23 HydrophobicContact CE1-CE2 3.42Å; F19-F23 VanDerWaalsContact CE1-CE2 3.42Å; F19-F23 HydrophobicContact CE1-CZ 4.31Å; F19-F23 AromaticContact CE2-CE2 3.97Å; F19-F23 HydrophobicContact CE2-CE2 3.97Å; F19-F23 HydrophobicContact CE2-CZ 4.26Å; F19-F23 HydrophobicContact CG-CE2 4.03Å; F19-F23 AromaticContact CZ-CE2 3.59Å; F19-F23 HydrophobicContact CZ-CE2 3.59Å; F19-F23 HydrophobicContact CZ-CZ 4.04Å; F19-F23 WeakPolarHBondContact O-CD2 3.31Å; F19-F23 WeakPolarHBondContact O-CE2 3.45Å; F19-A611 HydrophobicContact CD1-CB 3.93Å; F19-A611 HydrophobicContact CE1-CB 3.39Å; F19-A611 HydrophobicContact CZ-CB 4.25Å
20	F	50.4	Low	39.7	Very low	12 Å²	12	83.7 Å²	83.7	5%	0.053	45%	0.453	C	S	.	.	H	α-helix	trans	-65.1	-32.8	-179.2	-72.6	-60.2	0	0	0	114	T16 E17 S22 F23 A611 Y612 F680 P693 R701	T16-F20 WeakPolarHBondContact O-CD2 3.36Å; T16-F20 PolarHBondContact O-N 2.95Å; T16-F20 VanDerWaalsContact O-N 3.08Å; E17-F20 CarbonylContact O-C 3.59Å; E17-F20 PolarHBondContact O-N 3.42Å; E17-F20 VanDerWaalsContact O-N 3.09Å; F20-S22 VanDerWaalsContact C-N 3.28Å; F20-S22 PolarHBondContact O-N 3.07Å; F20-F23 PolarHBondContact O-N 3.32Å; F20-A611 HydrophobicContact CD1-CB 4.36Å; F20-A611 HydrophobicContact CE1-CB 3.37Å; F20-A611 HydrophobicContact CZ-CB 3.54Å; F20-Y612 HydrophobicContact CE1-CE2 4.3Å; F20-Y612 HydrophobicContact CE2-CE2 4.43Å; F20-Y612 HydrophobicContact CZ-CD2 4.2Å; F20-Y612 AromaticContact CZ-CE2 3.56Å; F20-Y612 HydrophobicContact CZ-CE2 3.56Å; F20-F680 HydrophobicContact CD2-CZ 4.33Å; F20-P693 HydrophobicContact CE1-CG 4.47Å; F20-P693 HydrophobicContact CZ-CG 4.42Å; F20-R701 VanDerWaalsContact O-CZ 3.31Å; F20-R701 PolarHBondContact O-NH1 2.82Å; F20-R701 PolarHBondContact O-NH2 3.19Å
21	N	43.7	Very low	39.8	Very low	48 Å²	48	86 Å²	86	26%	0.257	46%	0.464	S	S	.	.	H	α-helix	trans	-63.4	-30.7	-179.5	-76.3	-36.7	0	0	0	113.3	E17 D18 F19 F23 C705 G706	E17-N21 WeakPolarHBondContact O-CB 3.36Å; E17-N21 PolarHBondContact O-N 3.17Å; E17-N21 PolarHBondContact O-ND2 3.44Å; E17-N21 VanDerWaalsContact O-ND2 3.1Å; D18-N21 PolarHBondContact OD1-ND2 3.28Å; F19-N21 VanDerWaalsContact C-N 3.35Å; F19-N21 PolarHBondContact O-N 3.29Å; N21-F23 PolarHBondContact O-N 3.09Å; N21-C705 WeakPolarHBondContact OD1-CA 3.36Å; N21-C705 PolarHBondContact OD1-O 3.24Å; N21-G706 VanDerWaalsContact OD1-CA 3.25Å; N21-G706 WeakPolarHBondContact OD1-CA 3.34Å; N21-G706 PolarHBondContact OD1-N 3.33Å
22	S	38.9	Very low	39.7	Very low	95 Å²	95	89.3 Å²	89.3	66%	0.664	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-23.1	-177.6	-165.9	0	0	0	0	114.5	D18 F19 F20	D18-S22 PolarHBondContact O-N 2.67Å; F19-S22 PolarHBondContact O-N 3.01Å; F20-S22 VanDerWaalsContact C-N 3.28Å; F20-S22 PolarHBondContact O-N 3.07Å
23	F	48.8	Very low	39.7	Very low	89 Å²	89	91.7 Å²	91.7	39%	0.39	48%	0.481	S	S	.	.	S	Bend	trans	-100	-23.7	-150	-77.1	-55.9	0	0	0	119.8	F19 F20 N21 K607	F19-F23 HydrophobicContact CD1-CD2 4.22Å; F19-F23 AromaticContact CD1-CE2 3.68Å; F19-F23 HydrophobicContact CD1-CE2 3.68Å; F19-F23 HydrophobicContact CD2-CE2 4.16Å; F19-F23 HydrophobicContact CE1-CD2 4.07Å; F19-F23 AromaticContact CE1-CE2 3.42Å; F19-F23 HydrophobicContact CE1-CE2 3.42Å; F19-F23 VanDerWaalsContact CE1-CE2 3.42Å; F19-F23 HydrophobicContact CE1-CZ 4.31Å; F19-F23 AromaticContact CE2-CE2 3.97Å; F19-F23 HydrophobicContact CE2-CE2 3.97Å; F19-F23 HydrophobicContact CE2-CZ 4.26Å; F19-F23 HydrophobicContact CG-CE2 4.03Å; F19-F23 AromaticContact CZ-CE2 3.59Å; F19-F23 HydrophobicContact CZ-CE2 3.59Å; F19-F23 HydrophobicContact CZ-CZ 4.04Å; F19-F23 WeakPolarHBondContact O-CD2 3.31Å; F19-F23 WeakPolarHBondContact O-CE2 3.45Å; F20-F23 PolarHBondContact O-N 3.32Å; N21-F23 PolarHBondContact O-N 3.09Å; F23-K607 PolarHBondContact O-NZ 2.84Å
24	D	41.5	Very low	39.3	Very low	58 Å²	58	93.5 Å²	93.5	31%	0.31	50%	0.5	S	S	.	.			trans	-146	127.4	-175.2	-71.2	-73.5	0	0	0	113.2	K607	D24-K607 IonicContact OD1-NZ 3.98Å; D24-K607 PolarHBondContact OD1-NZ 3.41Å; D24-K607 IonicContact OD2-NZ 3.83Å; D24-K607 PolarHBondContact OD2-NZ 3.44Å
25	T	37.1	Very low	38.8	Very low	111 Å²	111	94.9 Å²	94.9	68%	0.681	51%	0.507	S	S	*	.			trans	-140.7	138	162.3	49.8	0	0	0	0	109.5
26	K	38.8	Very low	38.7	Very low	170 Å²	170	96.5 Å²	96.5	74%	0.739	52%	0.516	S	S	*	.	S	Bend	trans	112.7	-20.9	167.3	-62.9	170.7	180	175.2	0	119.5
27	L	42.6	Very low	38	Very low	41 Å²	41	104.2 Å²	104.2	22%	0.215	54%	0.543	C	S	.	.	G	3₁₀ helix	trans	-88.1	-24.6	-166.8	-94.8	161.9	0	0	0	116.8	K29 I30	L27-K29 PolarHBondContact O-N 2.91Å; L27-I30 HydrophobicContact CD2-CB 4.39Å; L27-I30 HydrophobicContact CD2-CD1 4.03Å; L27-I30 PolarHBondContact O-N 2.92Å
28	D	35.8	Very low	37	Very low	103 Å²	103	106.8 Å²	106.8	55%	0.551	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-63.5	-8.5	-176.7	-68.8	17.2	0	0	0	114.5
29	K	36.2	Very low	36.4	Very low	178 Å²	178	108.7 Å²	108.7	77%	0.774	59%	0.589	S	S	*	*	G	3₁₀ helix	trans	-94.3	-0.9	176.1	-63.4	-172.2	-178.9	-179.5	0	114.6	L27	L27-K29 PolarHBondContact O-N 2.91Å
30	I	39.4	Very low	35.5	Very low	68 Å²	68	112.2 Å²	112.2	35%	0.349	61%	0.607	S	S	.	*	S	Bend	trans	-99.1	-17.6	-176.4	-68.4	-172.8	0	0	0	112.7	L27 Q591	L27-I30 HydrophobicContact CD2-CB 4.39Å; L27-I30 HydrophobicContact CD2-CD1 4.03Å; L27-I30 PolarHBondContact O-N 2.92Å; I30-Q591 HydrophobicContact CG2-CG 3.64Å
31	V	34.9	Very low	34.3	Very low	119 Å²	119	120.1 Å²	120.1	72%	0.721	64%	0.644	S	S	*	*			trans	-127.3	88.8	-178	-171.4	0	0	0	0	111.4
32	Q	27.8	Very low	33.5	Very low	167 Å²	167	124.1 Å²	124.1	78%	0.78	67%	0.67	S	S	*	*			trans	-127.9	143.4	153.6	-73	-162.5	-5	0	0	109.4
33	P	30.1	Very low	33	Very low	120 Å²	120	125.5 Å²	125.5	78%	0.779	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-69.7	149.1	174.6	31.2	-34.9	0	0	0	110.6	E35	P33-E35 PolarHBondContact O-N 3.43Å
34	S	26.5	Very low	31.9	Very low	117 Å²	117	130.1 Å²	130.1	82%	0.818	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-66.3	118.2	-179.8	-52.1	0	0	0	0	112	V36	S34-V36 PolarHBondContact O-N 2.6Å
35	E	26.7	Very low	31.2	Very low	144 Å²	144	134.9 Å²	134.9	67%	0.673	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-66.6	126.5	165.5	-67.6	-168.3	143.9	0	0	110.1	P33 Y37	P33-E35 PolarHBondContact O-N 3.43Å; E35-Y37 HydrophobicContact CB-CD2 4.17Å; E35-Y37 HydrophobicContact CB-CE2 3.76Å; E35-Y37 PolarHBondContact O-N 2.87Å; E35-Y37 WeakPolarHBondContact OE2-CE2 3.26Å; E35-Y37 PolarHBondContact OE2-OH 3.4Å
36	V	32.5	Very low	30.6	Very low	141 Å²	141	134.8 Å²	134.8	86%	0.855	72%	0.723	S	S	*	*			trans	-85.1	97	176.6	179.7	0	0	0	0	108.9	S34 G38	S34-V36 PolarHBondContact O-N 2.6Å; V36-G38 PolarHBondContact O-N 3.28Å
37	Y	30.3	Very low	29.9	Very low	190 Å²	190	134.5 Å²	134.5	75%	0.745	72%	0.724	S	S	*	*			trans	-74.4	120.2	169.9	-80.4	-93.3	0	0	0	110.2	E35	E35-Y37 HydrophobicContact CB-CD2 4.17Å; E35-Y37 HydrophobicContact CB-CE2 3.76Å; E35-Y37 PolarHBondContact O-N 2.87Å; E35-Y37 WeakPolarHBondContact OE2-CE2 3.26Å; E35-Y37 PolarHBondContact OE2-OH 3.4Å
38	G	27.1	Very low	29.1	Very low	69 Å²	69	141.2 Å²	141.2	71%	0.711	75%	0.754	S	S	*	*			trans	-69.7	147.7	175	0	0	0	0	0	112	V36 Q40	V36-G38 PolarHBondContact O-N 3.28Å; G38-Q40 PolarHBondContact O-N 2.85Å
39	V	28.9	Very low	28.6	Very low	145 Å²	145	144.9 Å²	144.9	88%	0.879	77%	0.768	S	S	*	*			trans	-73.9	114.2	174.9	179.3	0	0	0	0	109.2
40	Q	26.6	Very low	28	Very low	171 Å²	171	142.5 Å²	142.5	80%	0.799	77%	0.768	S	S	*	*			trans	-88.9	128.8	167.7	-170.5	73.6	51.9	0	0	108.7	G38	G38-Q40 PolarHBondContact O-N 2.85Å
41	E	26.2	Very low	27.3	Very low	178 Å²	178	147.8 Å²	147.8	83%	0.832	79%	0.789	S	S	*	*			trans	-68.1	148.2	176.9	-61.4	172.1	140.7	0	0	111.6
42	V	27.3	Very low	26.8	Very low	132 Å²	132	148.2 Å²	148.2	80%	0.8	79%	0.787	S	S	*	*			trans	-130	136.5	170.5	-179.8	0	0	0	0	108.1
43	P	27.9	Very low	26.8	Very low	125 Å²	125	147.1 Å²	147.1	81%	0.812	78%	0.782	S	S	*	*			trans	-76.7	152.9	-162.7	-18.5	33.9	0	0	0	116.2
44	E	25.4	Very low	26.6	Very low	185 Å²	185	148.1 Å²	148.1	86%	0.864	78%	0.78	S	S	*	*			trans	-60.8	150.5	160.6	176.3	178.5	-119.5	0	0	112.3
45	L	26.8	Very low	26.6	Very low	159 Å²	159	148.9 Å²	148.9	83%	0.832	78%	0.779	S	S	*	*			trans	-178.8	120.7	143.4	-97.3	174.4	0	0	0	112.5
46	V	24.9	Very low	26.5	Very low	108 Å²	108	150.5 Å²	150.5	66%	0.655	79%	0.787	S	S	*	*			trans	64.4	102.8	144.4	-177.5	0	0	0	0	120.9
47	E	23.4	Very low	26.3	Very low	164 Å²	164	149.3 Å²	149.3	77%	0.766	79%	0.785	S	S	*	*				23.7	134.4	123.4	-51.2	177.9	147.9	0	0	121.6
48	H	25.8	Very low	26.1	Very low	183 Å²	183	152 Å²	152	85%	0.847	79%	0.794	S	S	*	*				-165.2	151.9	110.9	-105.1	-67.6	0	0	0	112.3
49	E	24.9	Very low	26	Very low	180 Å²	180	155.3 Å²	155.3	84%	0.841	80%	0.795	S	S	*	*			trans	-88.3	169.5	-179.3	-51	176.1	123.7	0	0	113.2
50	V	25.2	Very low	26.1	Very low	127 Å²	127	154 Å²	154	77%	0.77	78%	0.782	S	S	*	*				165.8	121.7	127	154.5	0	0	0	0	113.4
51	F	24.4	Very low	26.2	Very low	179 Å²	179	155.3 Å²	155.3	79%	0.785	78%	0.78	S	S	*	*			trans	36.3	125.1	150.9	-72.2	-102.2	0	0	0	123.9
52	D	25.1	Very low	26.1	Very low	128 Å²	128	153.3 Å²	153.3	68%	0.684	78%	0.775	S	S	*	*				28.8	140.8	108.2	-84	14	0	0	0	118.9
53	Q	26.3	Very low	26.1	Very low	144 Å²	144	152.7 Å²	152.7	67%	0.673	77%	0.771	S	S	*	*				175.4	176	52.2	-138.8	165.4	69.8	0	0	111.8
54	I	27.2	Very low	25.9	Very low	142 Å²	142	152.8 Å²	152.8	73%	0.728	77%	0.77	S	S	*	*			trans	72.4	137.6	158.5	-64.3	155.4	0	0	0	115.3
55	T	25.7	Very low	26.1	Very low	132 Å²	132	148.3 Å²	148.3	81%	0.81	76%	0.759	S	S	*	*			cis	-135.5	166	18	-27.7	0	0	0	0	113
56	E	25.7	Very low	26.2	Very low	179 Å²	179	148.3 Å²	148.3	84%	0.836	76%	0.759	S	S	*	*			trans	-90.8	-178	-179.1	-55.1	179	94.7	0	0	116.3
57	S	27	Very low	26.3	Very low	116 Å²	116	146.5 Å²	146.5	81%	0.811	76%	0.756	S	S	*	*			trans	91	142.8	162.3	83.6	0	0	0	0	116.9
58	R	25.7	Very low	26.5	Very low	247 Å²	247	147.9 Å²	147.9	93%	0.932	76%	0.759	S	S	*	*			cis	-133.3	165.4	8.5	-143	170.9	-169.5	169.8	3.1	111.6
59	N	26.7	Very low	26.5	Very low	138 Å²	138	144.8 Å²	144.8	74%	0.738	75%	0.753	S	S	*	*			trans	-141.5	169.9	-157.1	-165	-11.5	0	0	0	111.7
60	L	29.7	Very low	26.6	Very low	117 Å²	117	140.2 Å²	140.2	61%	0.613	74%	0.741	S	S	*	*			trans	76.9	145.3	167.4	-53.5	172.6	0	0	0	116.1
61	R	28.2	Very low	26.8	Very low	199 Å²	199	141.5 Å²	141.5	75%	0.751	74%	0.743	S	S	*	*			cis	-148.5	144.9	2.5	-106	144.2	-167.4	-168.1	5.1	108.7
62	N	25.5	Very low	27	Very low	135 Å²	135	139.4 Å²	139.4	72%	0.722	74%	0.738	S	S	*	*				53.1	138.2	87.3	-54	-11.8	0	0	0	113.9
63	V	26.4	Very low	27	Very low	120 Å²	120	142.8 Å²	142.8	73%	0.727	74%	0.742	S	S	*	*				-158.8	121.5	58.2	165	0	0	0	0	108
64	T	24.3	Very low	27	Very low	126 Å²	126	139.5 Å²	139.5	77%	0.773	73%	0.729	S	S	*	*				48.7	156.1	98.3	82.4	0	0	0	0	116.7
65	S	28.7	Very low	26.9	Very low	92 Å²	92	142.2 Å²	142.2	64%	0.643	73%	0.73	S	S	*	*			cis	-166.3	172.4	22.8	70.1	0	0	0	0	115.4
66	L	30.1	Very low	26.9	Very low	158 Å²	158	140.5 Å²	140.5	83%	0.827	72%	0.722	S	S	*	*			trans	72.6	149.6	150.8	-99.9	69.5	0	0	0	120.3
67	A	25.9	Very low	26.9	Very low	71 Å²	71	140.9 Å²	140.9	59%	0.587	72%	0.721	S	S	*	*			cis	-157.6	143.3	-1.3	0	0	0	0	0	115.2
68	K	28.8	Very low	26.8	Very low	192 Å²	192	142.7 Å²	142.7	84%	0.835	72%	0.722	S	S	*	*			trans	53.5	154.7	138.7	-61.6	174.8	-179.4	178.5	0	120
69	T	25.6	Very low	26.7	Very low	119 Å²	119	134.9 Å²	134.9	73%	0.73	72%	0.718	S	S	*	*			cis	-136.3	142.5	18.6	47.7	0	0	0	0	110.7
70	S	26	Very low	26.5	Very low	83 Å²	83	136.2 Å²	136.2	58%	0.58	72%	0.724	S	S	*	*				59.5	118.9	59.2	74	0	0	0	0	113.8
71	L	29	Very low	26.3	Very low	155 Å²	155	138.7 Å²	138.7	81%	0.812	74%	0.737	S	S	*	*				-165.1	178.1	58.5	-77.8	123.4	0	0	0	111.2
72	I	28.5	Very low	26.1	Very low	134 Å²	134	136.9 Å²	136.9	69%	0.687	74%	0.737	S	S	*	*				-172.7	144.6	-51.1	-112.4	165.2	0	0	0	112.2
73	W	25.6	Very low	26.1	Very low	200 Å²	200	136.7 Å²	136.7	76%	0.758	74%	0.741	S	S	*	*			trans	84.4	122.2	149.3	-95.9	159.6	0	0	0	129.3
74	D	26.5	Very low	26	Very low	75 Å²	75	140.2 Å²	140.2	40%	0.401	75%	0.747	S	S	.	*				72.1	160.6	117.6	-112.2	-9.6	0	0	0	122.1
75	R	25.4	Very low	25.9	Very low	198 Å²	198	138.4 Å²	138.4	75%	0.747	75%	0.745	S	S	*	*			cis	-145.9	150.6	4.7	-172.1	160.1	-93.4	-159.7	-1.9	116.9
76	C	24.8	Very low	25.8	Very low	97 Å²	97	142.2 Å²	142.2	66%	0.655	75%	0.752	S	S	*	*			trans	-45.4	-179.6	179.6	-39.7	0	0	0	0	122.7
77	K	26.4	Very low	25.4	Very low	187 Å²	187	140.5 Å²	140.5	81%	0.813	75%	0.748	S	S	*	*			trans	88.9	150.7	151.9	-73.4	175.3	177.9	-176.8	0	118.2
78	N	25.1	Very low	25.2	Very low	154 Å²	154	141.1 Å²	141.1	82%	0.824	75%	0.754	S	S	*	*			cis	-170.8	154.3	-28.1	-113.5	24.3	0	0	0	107
79	G	22.8	Very low	25	Very low	83 Å²	83	141.6 Å²	141.6	86%	0.856	76%	0.756	S	S	*	*			trans	160.8	116.7	164.4	0	0	0	0	0	115.6
80	L	24.1	Very low	25.3	Very low	165 Å²	165	141.6 Å²	141.6	86%	0.864	76%	0.758	S	S	*	*			trans	-112.1	143.2	166.5	-165.8	92.7	0	0	0	107.7
81	L	25.4	Very low	25.2	Very low	169 Å²	169	141.7 Å²	141.7	89%	0.885	76%	0.764	S	S	*	*			trans	-173.1	156.1	144	-106.5	167.8	0	0	0	111.7
82	E	23.5	Very low	25	Very low	161 Å²	161	142.9 Å²	142.9	75%	0.752	76%	0.763	S	S	*	*			trans	-97.2	164.7	-176.1	-49.9	160	99.4	0	0	111.8
83	T	25.1	Very low	24.8	Very low	131 Å²	131	144.4 Å²	144.4	80%	0.804	77%	0.767	S	S	*	*				-170.9	119.9	121.2	14.4	0	0	0	0	115.1
84	K	23.5	Very low	24.8	Very low	195 Å²	195	142.8 Å²	142.8	85%	0.848	77%	0.768	S	S	*	*			trans	40.8	121.8	133	-65	179.3	179.3	176.5	0	122.1
85	A	24	Very low	24.6	Very low	88 Å²	88	147 Å²	147	73%	0.727	79%	0.789	S	S	*	*				77.9	158.3	124.5	0	0	0	0	0	119.2
86	Q	24.8	Very low	24.5	Very low	171 Å²	171	143 Å²	143	80%	0.799	79%	0.787	S	S	*	*			cis	-153.5	142.9	3.2	-138.1	163	-0.7	0	0	113.3
87	T	22.4	Very low	24.4	Very low	122 Å²	122	143.8 Å²	143.8	75%	0.748	79%	0.788	S	S	*	*			trans	25	139	146.7	59.1	0	0	0	0	125.2
88	A	23	Very low	24.4	Very low	85 Å²	85	141.7 Å²	141.7	70%	0.702	78%	0.781	S	S	*	*			trans	85	115.5	132.9	0	0	0	0	0	122.8
89	F	23.5	Very low	24.3	Very low	201 Å²	201	145.1 Å²	145.1	88%	0.882	78%	0.783	S	S	*	*				22.2	145.3	112.3	-67	-63.2	0	0	0	119.9
90	P	32.8	Very low	24.3	Very low	119 Å²	119	145 Å²	145	77%	0.773	78%	0.781	S	S	*	*				-150.6	-179.7	51.9	43.7	-23.9	0	0	0	119.5
91	A	22.9	Very low	24.3	Very low	86 Å²	86	149 Å²	149	71%	0.711	79%	0.785	S	S	*	*			trans	26.2	131.9	145.1	0	0	0	0	0	121.3
92	K	25.9	Very low	24.2	Very low	180 Å²	180	145.6 Å²	145.6	78%	0.783	78%	0.781	S	S	*	*			cis	83.6	100.6	44.1	-177.7	-152.6	177.5	-171	0	114
93	E	24.1	Very low	24.3	Very low	165 Å²	165	141.5 Å²	141.5	77%	0.771	78%	0.775	S	S	*	*			trans	-173.6	124.1	140.5	-102.6	159.2	-156.1	0	0	108.2
94	Q	23.9	Very low	24.3	Very low	166 Å²	166	142 Å²	142	78%	0.776	77%	0.772	S	S	*	*				77.5	123	81.5	-75.4	-163.8	-8.4	0	0	115.6
95	L	23.6	Very low	24.5	Very low	163 Å²	163	138.6 Å²	138.6	85%	0.853	76%	0.764	S	S	*	*			trans	138.1	144.5	153	-76.5	161.5	0	0	0	110.2
96	V	23.1	Very low	24.8	Very low	116 Å²	116	141.3 Å²	141.3	70%	0.703	77%	0.765	S	S	*	*			cis	177.7	123.4	-35.8	129.5	0	0	0	0	106.7
97	V	23.5	Very low	24.8	Very low	113 Å²	113	137.3 Å²	137.3	69%	0.685	76%	0.762	S	S	*	*			trans	73.5	117	141.8	171.9	0	0	0	0	122
98	Q	24.6	Very low	25.1	Very low	142 Å²	142	141.7 Å²	141.7	66%	0.664	77%	0.765	S	S	*	*			trans	84.2	115.7	139.6	-83.5	180	61.8	0	0	124.9
99	R	23	Very low	25.4	Very low	227 Å²	227	143.2 Å²	143.2	86%	0.857	77%	0.765	S	S	*	*				75.7	115.8	107.8	-164.5	-168	-132.7	168.7	-6	120.1
100	G	23.7	Very low	25.6	Very low	80 Å²	80	136.9 Å²	136.9	83%	0.825	76%	0.757	S	S	*	*			trans	-176.8	125.5	162	0	0	0	0	0	115.2
101	R	23.9	Very low	25.3	Very low	249 Å²	249	140.6 Å²	140.6	94%	0.94	76%	0.764	S	S	*	*			trans	-71.6	149.5	-178.7	-89.9	172.3	160.9	166.2	-8.1	114.6
102	A	23.8	Very low	25.5	Very low	97 Å²	97	139.6 Å²	139.6	80%	0.802	76%	0.762	S	S	*	*			trans	-7.2	160.7	140.9	0	0	0	0	0	119.5
103	A	25.1	Very low	25.7	Very low	75 Å²	75	139.8 Å²	139.8	62%	0.62	77%	0.765	S	S	*	*			cis	-168.9	176.5	30.3	0	0	0	0	0	113.7
104	N	24.8	Very low	25.9	Very low	141 Å²	141	137.8 Å²	137.8	75%	0.754	76%	0.764	S	S	*	*			trans	70.9	150.3	152.1	-62	-10.7	0	0	0	118.7
105	N	27.8	Very low	26	Very low	125 Å²	125	134.9 Å²	134.9	67%	0.668	76%	0.763	S	S	*	*			cis	-168.9	160.1	-15	-111	-16.8	0	0	0	112.8
106	L	30.5	Very low	26.2	Very low	144 Å²	144	131.5 Å²	131.5	75%	0.754	76%	0.758	S	S	*	*			trans	66.4	157.4	157.3	-64.7	159.7	0	0	0	116.5
107	A	25.4	Very low	26.3	Very low	88 Å²	88	135.4 Å²	135.4	73%	0.727	77%	0.766	S	S	*	*			cis	-161.5	174.5	5.2	0	0	0	0	0	109.2
108	W	28.8	Very low	26.6	Very low	213 Å²	213	137 Å²	137	81%	0.807	77%	0.77	S	S	*	*			cis	-173.9	147.2	-23.2	-124.1	34.7	0	0	0	110.1
109	V	28	Very low	26.7	Very low	117 Å²	117	136 Å²	136	71%	0.709	77%	0.768	S	S	*	*			trans	65.5	149.9	152.3	177.6	0	0	0	0	118
110	G	28	Very low	27	Very low	69 Å²	69	134.2 Å²	134.2	71%	0.711	77%	0.767	S	S	*	*			cis	-166.1	-170.1	-2	0	0	0	0	0	108.8
111	E	27.3	Very low	27.2	Very low	196 Å²	196	135.4 Å²	135.4	92%	0.916	76%	0.763	S	S	*	*			cis	-152.7	169.2	-0.2	-58.8	178.6	127.7	0	0	106.3
112	G	26.8	Very low	27.4	Very low	65 Å²	65	131.7 Å²	131.7	67%	0.67	76%	0.76	S	S	*	*			cis	177.4	160.2	-5.5	0	0	0	0	0	112
113	E	30.4	Very low	27.5	Very low	185 Å²	185	131.4 Å²	131.4	86%	0.864	75%	0.751	S	S	*	*			trans	66.2	151.5	152.8	-55.3	-150.1	146	0	0	121.5
114	T	28.3	Very low	27.6	Very low	122 Å²	122	134.8 Å²	134.8	75%	0.748	75%	0.754	S	S	*	*			cis	-157	174.5	-17.1	29	0	0	0	0	107.3
115	S	26.1	Very low	27.6	Very low	106 Å²	106	137.9 Å²	137.9	74%	0.741	76%	0.755	S	S	*	*			cis	-146.1	166.1	10.7	63	0	0	0	0	112.1
116	A	27.9	Very low	27.5	Very low	91 Å²	91	142.7 Å²	142.7	75%	0.752	76%	0.764	S	S	*	*			trans	-152	158.9	166.2	0	0	0	0	0	109.1
117	F	25.7	Very low	27.3	Very low	198 Å²	198	145.8 Å²	145.8	87%	0.868	77%	0.766	S	S	*	*			trans	-144.4	150.4	171.1	-92.7	-71.6	0	0	0	114
118	N	28.4	Very low	27.3	Very low	146 Å²	146	147.5 Å²	147.5	78%	0.781	76%	0.763	S	S	*	*			trans	-163.3	-147.9	178.6	-151.5	-34.4	0	0	0	107.3
119	I	27.4	Very low	27.2	Very low	121 Å²	121	148 Å²	148	62%	0.621	77%	0.765	S	S	*	*			trans	73.6	142.2	176.1	-20	149.7	0	0	0	110.5
120	F	28.8	Very low	27.5	Very low	191 Å²	191	147.9 Å²	147.9	84%	0.838	77%	0.766	S	S	*	*			cis	-143.9	173.3	33.2	-95.8	-85.4	0	0	0	115.6
121	S	28	Very low	27.4	Very low	104 Å²	104	156 Å²	156	73%	0.727	78%	0.775	S	S	*	*			trans	-129.8	149	179.1	58.7	0	0	0	0	113
122	I	27.7	Very low	27.4	Very low	171 Å²	171	152 Å²	152	88%	0.877	77%	0.769	S	S	*	*			trans	-163.8	158.6	176.9	-107.7	152.3	0	0	0	110.9
123	C	26.3	Very low	27.4	Very low	92 Å²	92	154.4 Å²	154.4	62%	0.622	77%	0.77	S	S	*	*			cis	-171.3	134	-44.6	-147.2	0	0	0	0	111.8
124	Q	26.5	Very low	27.2	Very low	145 Å²	145	152.6 Å²	152.6	68%	0.678	77%	0.766	S	S	*	*			trans	68.6	166.7	166.5	-50.6	170	33.2	0	0	115.7
125	R	25.3	Very low	27.1	Very low	206 Å²	206	152.7 Å²	152.7	78%	0.777	76%	0.763	S	S	*	*			cis	-155.4	160.9	9.1	-152	173.7	-93.6	-170.2	-3.8	111.9
126	R	26.4	Very low	27.2	Very low	227 Å²	227	154.5 Å²	154.5	86%	0.857	76%	0.762	S	S	*	*			trans	-10.7	154.4	159.1	-55.3	176.5	-171.2	-166.1	2	118
127	R	26.5	Very low	27.2	Very low	209 Å²	209	157.1 Å²	157.1	79%	0.789	76%	0.763	S	S	*	*			cis	-170.9	-171.4	29.9	-136.8	-155.6	-66	169	3.7	108.8
128	D	24.6	Very low	27.2	Very low	124 Å²	124	153 Å²	153	66%	0.663	75%	0.753	S	S	*	*			cis	-155.5	-160.9	-0.5	-150.9	-15.1	0	0	0	110.7
129	R	27.4	Very low	27	Very low	224 Å²	224	153.6 Å²	153.6	85%	0.845	75%	0.752	S	S	*	*			trans	-136.2	151.4	171.6	-146.2	-177.5	-171.4	177.2	3.3	111.2
130	P	34.6	Very low	26.9	Very low	113 Å²	113	152.6 Å²	152.6	73%	0.734	75%	0.748	S	S	*	*				-158.9	167.9	99.4	40.7	-20.9	0	0	0	118.7
131	R	25.7	Very low	26.8	Very low	239 Å²	239	150.4 Å²	150.4	90%	0.902	74%	0.74	S	S	*	*			trans	15.5	137.4	146.5	-53.2	175.7	-178.3	179.8	-1.2	119.4
132	S	27.4	Very low	26.8	Very low	114 Å²	114	154.1 Å²	154.1	80%	0.797	75%	0.746	S	S	*	*				164.2	172.6	79.8	-149.9	0	0	0	0	109.8
133	V	25.7	Very low	26.7	Very low	114 Å²	114	149.9 Å²	149.9	69%	0.691	74%	0.736	S	S	*	*				-170.6	157.6	-52.1	145.6	0	0	0	0	109.3
134	N	27	Very low	26.7	Very low	147 Å²	147	151.2 Å²	151.2	79%	0.786	75%	0.747	S	S	*	*			trans	71.3	160.1	171.8	-78.7	20	0	0	0	119.5
135	D	26.6	Very low	26.6	Very low	125 Å²	125	149.6 Å²	149.6	67%	0.668	75%	0.747	S	S	*	*			cis	-174.4	162.2	-37.8	-139.8	-15.1	0	0	0	111.7
136	I	27.7	Very low	26.5	Very low	144 Å²	144	149.3 Å²	149.3	74%	0.738	75%	0.751	S	S	*	*			trans	65.5	151.2	154.4	-73.3	164.8	0	0	0	119
137	L	27.3	Very low	26.7	Very low	146 Å²	146	147.8 Å²	147.8	76%	0.764	75%	0.751	S	S	*	*			cis	-176.1	178.1	-19	-176.3	64.3	0	0	0	109.6
138	V	26.2	Very low	27.3	Very low	110 Å²	110	144.1 Å²	144.1	67%	0.667	76%	0.755	S	S	*	*			trans	82.5	116.2	163.5	-169.8	0	0	0	0	115.3
139	Q	25.1	Very low	27.3	Very low	159 Å²	159	141.8 Å²	141.8	74%	0.743	76%	0.76	S	S	*	*				70.3	148	67	-64.8	-176.5	-58	0	0	114.6
140	N	25.2	Very low	27.4	Very low	100 Å²	100	139.3 Å²	139.3	54%	0.535	76%	0.757	S	S	.	*			cis	-159.9	167	-1.9	-120.6	25.9	0	0	0	112.1
141	E	26.6	Very low	27	Very low	146 Å²	146	139.8 Å²	139.8	68%	0.682	75%	0.754	S	S	*	*			trans	46.5	123.7	141.9	-70.6	156	-179.2	0	0	122.5
142	E	26.6	Very low	27	Very low	182 Å²	182	140.2 Å²	140.2	85%	0.85	76%	0.756	S	S	*	*				83.5	161.7	101.3	-71.3	-165.6	170.7	0	0	116.1
143	A	25.8	Very low	26.9	Very low	81 Å²	81	140 Å²	140	67%	0.669	75%	0.754	S	S	*	*			cis	-169.5	-173.2	-33	0	0	0	0	0	109.8
144	S	25.9	Very low	27	Very low	121 Å²	121	145.6 Å²	145.6	85%	0.846	76%	0.762	S	S	*	*			trans	95.3	130.5	158	80.6	0	0	0	0	122.2
145	T	24.3	Very low	27.2	Very low	111 Å²	111	143.4 Å²	143.4	68%	0.681	76%	0.759	S	S	*	*			trans	-59.7	165	175.6	46.1	0	0	0	0	118.7
146	F	23.9	Very low	27.2	Very low	199 Å²	199	144.3 Å²	144.3	87%	0.873	76%	0.764	S	S	*	*				-172.7	167.9	113.4	-103.8	-71.6	0	0	0	114.5
147	K	30.7	Very low	27.4	Very low	195 Å²	195	144.8 Å²	144.8	85%	0.848	77%	0.766	S	S	*	*			trans	-140.6	-169.1	172.3	-62.2	-173.5	178.2	-179.7	0	107.6
148	P	39	Very low	27.5	Very low	133 Å²	133	141.7 Å²	141.7	86%	0.864	76%	0.756	S	S	*	*			cis	-134.8	-168	-10.5	43	-24.7	0	0	0	114.7
149	G	23.9	Very low	27.9	Very low	75 Å²	75	141.5 Å²	141.5	77%	0.773	76%	0.759	S	S	*	*			trans	169.1	78.8	164.5	0	0	0	0	0	123.1
150	H	29.2	Very low	28.6	Very low	171 Å²	171	136.3 Å²	136.3	79%	0.792	74%	0.738	S	S	*	*			trans	33.7	133	143.5	-97.8	26.1	0	0	0	127.5
151	N	26.1	Very low	29.2	Very low	123 Å²	123	136.5 Å²	136.5	66%	0.658	74%	0.739	S	S	*	*			trans	59.4	123.8	135.4	-64.6	-8.5	0	0	0	121.8
152	R	25.9	Very low	29.8	Very low	249 Å²	249	131.5 Å²	131.5	94%	0.94	71%	0.714	S	S	*	*				-172.9	169.5	62.9	-126	165.1	-169.8	-178.5	2.6	113.8
153	S	27.2	Very low	30.5	Very low	108 Å²	108	124.9 Å²	124.9	76%	0.755	70%	0.695	S	S	*	*			trans	-77.3	144.5	-175.2	170.1	0	0	0	0	116.1
154	R	26.1	Very low	31.2	Very low	232 Å²	232	125.7 Å²	125.7	88%	0.875	69%	0.691	S	S	*	*				-160.5	162.6	118.8	-107.8	176.1	-173.7	-151	-2.3	112.8
155	S	31.3	Very low	31.8	Very low	101 Å²	101	124 Å²	124	71%	0.706	68%	0.675	S	S	*	*			trans	-110.9	125	-168	54.7	0	0	0	0	112.6
156	D	27	Very low	32.3	Very low	145 Å²	145	125.9 Å²	125.9	78%	0.775	67%	0.674	S	S	*	*			trans	-135	147.1	162.1	-79.4	-60.3	0	0	0	108.5
157	I	31	Very low	32.6	Very low	154 Å²	154	121.6 Å²	121.6	79%	0.79	66%	0.664	S	S	*	*			trans	-92.4	117.8	-176.7	-67.1	173.1	0	0	0	109
158	S	31.3	Very low	32.3	Very low	80 Å²	80	115.7 Å²	115.7	56%	0.559	66%	0.659	S	S	*	*			trans	-127.6	107.6	-179.9	52.1	0	0	0	0	111.4	V160 G267	S158-V160 PolarHBondContact O-N 3.19Å; S158-G267 PolarHBondContact N-O 2.87Å; S158-G267 WeakPolarHBondContact O-CA 3.36Å
159	C	32.9	Very low	31.7	Very low	106 Å²	106	116.8 Å²	116.8	72%	0.716	66%	0.663	S	S	*	*			trans	-71.1	123.3	168.8	-170.3	0	0	0	0	109.2	D161	C159-D161 PolarHBondContact O-N 3.44Å
160	V	39.9	Very low	31.8	Very low	51 Å²	51	117.9 Å²	117.9	31%	0.309	67%	0.665	S	S	.	*			trans	-87.7	103	179.9	179.9	0	0	0	0	109.7	S158 W162	S158-V160 PolarHBondContact O-N 3.19Å; V160-W162 HydrophobicContact CG1-CD2 4.09Å; V160-W162 HydrophobicContact CG1-CE3 4.46Å; V160-W162 HydrophobicContact CG1-CZ2 4.21Å; V160-W162 PolarHBondContact O-N 2.88Å
161	D	37.4	Very low	31.7	Very low	104 Å²	104	117 Å²	117	56%	0.556	67%	0.665	S	S	*	*			trans	-84.6	102.8	167.4	-175.7	2.7	0	0	0	110.7	C159 G163 V164	C159-D161 PolarHBondContact O-N 3.44Å; D161-G163 PolarHBondContact O-N 3.45Å; D161-G163 VanDerWaalsContact O-N 3.1Å; D161-G163 PolarHBondContact OD1-N 3.14Å; D161-V164 PolarHBondContact O-N 2.95Å; D161-V164 VanDerWaalsContact O-N 3.17Å
162	W	40.2	Very low	31.8	Very low	41 Å²	41	119.8 Å²	119.8	16%	0.155	67%	0.674	C	S	.	*	T	Hydrogen-bonded Turn	trans	-62.8	-9.3	175.9	-62.9	105.7	0	0	0	114.5	V160 F166 W302	V160-W162 HydrophobicContact CG1-CD2 4.09Å; V160-W162 HydrophobicContact CG1-CE3 4.46Å; V160-W162 HydrophobicContact CG1-CZ2 4.21Å; V160-W162 PolarHBondContact O-N 2.88Å; W162-F166 HydrophobicContact CE3-CE2 4.24Å; W162-W302 HydrophobicContact CB-CD2 4.42Å; W162-W302 HydrophobicContact CB-CH2 4.05Å; W162-W302 HydrophobicContact CB-CZ2 3.34Å; W162-W302 HydrophobicContact CG-CZ2 4.27Å
163	G	40.7	Very low	31.8	Very low	43 Å²	43	116.8 Å²	116.8	44%	0.443	67%	0.671	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.4	-33.9	170.7	0	0	0	0	0	113.6	D161	D161-G163 PolarHBondContact O-N 3.45Å; D161-G163 VanDerWaalsContact O-N 3.1Å; D161-G163 PolarHBondContact OD1-N 3.14Å
164	V	40.6	Very low	32	Very low	98 Å²	98	117 Å²	117	59%	0.594	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-30.2	-171.7	-176.4	0	0	0	0	112.8	D161 F166 T167	D161-V164 PolarHBondContact O-N 2.95Å; D161-V164 VanDerWaalsContact O-N 3.17Å; V164-F166 PolarHBondContact O-N 2.94Å; V164-F166 VanDerWaalsContact O-N 3.07Å; V164-T167 PolarHBondContact O-N 2.97Å; V164-T167 PolarHBondContact O-OG1 3.21Å
165	V	39.4	Very low	32.2	Very low	85 Å²	85	111.8 Å²	111.8	52%	0.515	67%	0.666	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.7	-22.7	-172.5	178.1	0	0	0	0	113.8
166	F	35.2	Very low	31.9	Very low	150 Å²	150	114.7 Å²	114.7	66%	0.658	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.3	13.1	-172.7	-68.6	-73.4	0	0	0	115.3	W162 V164	W162-F166 HydrophobicContact CE3-CE2 4.24Å; V164-F166 PolarHBondContact O-N 2.94Å; V164-F166 VanDerWaalsContact O-N 3.07Å
167	T	28.9	Very low	32	Very low	109 Å²	109	113.8 Å²	113.8	67%	0.669	68%	0.675	S	S	*	*			trans	-112.1	90.9	179.7	51.6	0	0	0	0	113.8	V164	V164-T167 PolarHBondContact O-N 2.97Å; V164-T167 PolarHBondContact O-OG1 3.21Å
168	G	25.2	Very low	31.6	Very low	71 Å²	71	110.4 Å²	110.4	73%	0.732	67%	0.67	S	S	*	*			trans	116	109.4	145	0	0	0	0	0	118.2
169	T	27.1	Very low	31.4	Very low	156 Å²	156	115 Å²	115	96%	0.957	68%	0.683	S	S	*	*				-160.4	139.9	127.3	5.2	0	0	0	0	108.9
170	A	24.9	Very low	31	Very low	98 Å²	98	115.5 Å²	115.5	81%	0.81	68%	0.678	S	S	*	*			trans	-140.8	139.4	-177.1	0	0	0	0	0	110.5
171	L	26.8	Very low	30.2	Very low	152 Å²	152	119.3 Å²	119.3	80%	0.796	70%	0.697	S	S	*	*			trans	-139.5	110.3	179.8	-94.1	165.4	0	0	0	112
172	Q	27.7	Very low	29.8	Very low	182 Å²	182	121.2 Å²	121.2	85%	0.85	71%	0.707	S	S	*	*			trans	63.4	117.3	148.6	-65.9	171.9	-0.5	0	0	121
173	Q	26	Very low	29.2	Very low	186 Å²	186	131.3 Å²	131.3	87%	0.869	75%	0.745	S	S	*	*			trans	-86.3	-174.1	155.1	-66.9	-177.5	-12.9	0	0	109.1
174	P	32.7	Very low	28.4	Very low	114 Å²	114	134 Å²	134	74%	0.74	76%	0.763	S	S	*	*			cis	-140.3	-155.6	13.6	47.7	-27.1	0	0	0	113.1
175	P	30.5	Very low	27.7	Very low	121 Å²	121	137 Å²	137	79%	0.786	78%	0.775	S	S	*	*			cis	-127.5	-178.3	-10.3	38.8	-20.5	0	0	0	115.8
176	L	23.6	Very low	27.1	Very low	163 Å²	163	140.7 Å²	140.7	85%	0.853	79%	0.791	S	S	*	*			trans	-90.8	172.5	179.3	-65.2	164.8	0	0	0	113
177	P	29.8	Very low	26.9	Very low	125 Å²	125	137.5 Å²	137.5	81%	0.812	79%	0.787	S	S	*	*				-145.5	147.1	97.4	38	-23.1	0	0	0	118.1
178	A	23	Very low	26.8	Very low	83 Å²	83	143.6 Å²	143.6	69%	0.686	80%	0.8	S	S	*	*			trans	54.7	122	143.4	0	0	0	0	0	124.1
179	Q	26.5	Very low	27	Very low	178 Å²	178	147.8 Å²	147.8	83%	0.832	81%	0.805	S	S	*	*			trans	59.5	147.9	148.9	-73.5	176	-101.5	0	0	119.7
180	D	24.2	Very low	27.1	Very low	116 Å²	116	144.5 Å²	144.5	62%	0.62	79%	0.793	S	S	*	*			cis	-140.5	-174.9	7	-138.2	-51.5	0	0	0	113
181	N	24.8	Very low	27.2	Very low	130 Å²	130	147.8 Å²	147.8	70%	0.695	80%	0.796	S	S	*	*			trans	-73.4	148.3	-159.5	-74.2	-89.2	0	0	0	117.6
182	N	28.1	Very low	27.3	Very low	145 Å²	145	146.4 Å²	146.4	78%	0.775	79%	0.794	S	S	*	*			trans	60.4	84.1	152.2	-65.6	-32.1	0	0	0	119.7
183	R	26.8	Very low	27.3	Very low	253 Å²	253	146.6 Å²	146.6	96%	0.955	79%	0.792	S	S	*	*			trans	172.1	92.4	131.6	-96.1	161.5	177	-175.4	0.6	113.2
184	A	24.6	Very low	27.4	Very low	100 Å²	100	141 Å²	141	83%	0.826	79%	0.785	S	S	*	*			trans	-169.2	104.1	155.7	0	0	0	0	0	112.4
185	L	25.4	Very low	27.1	Very low	160 Å²	160	143.3 Å²	143.3	84%	0.838	79%	0.785	S	S	*	*			trans	-160.1	47.3	151.9	-118.1	173.1	0	0	0	111.8
186	L	28.1	Very low	27.1	Very low	163 Å²	163	145.2 Å²	145.2	85%	0.853	79%	0.789	S	S	*	*			trans	-102.4	84.5	163.7	-84	174.3	0	0	0	108.4
187	S	29.5	Very low	27.6	Very low	83 Å²	83	145.3 Å²	145.3	58%	0.58	79%	0.789	S	S	*	*			trans	-151.1	33.8	-177	45	0	0	0	0	114.3
188	Y	27.3	Very low	27.9	Very low	237 Å²	237	147.1 Å²	147.1	93%	0.929	79%	0.786	S	S	*	*	S	Bend	trans	-136.9	19.8	156.4	-89.7	-70.4	0	0	0	112.9
189	L	30.6	Very low	28.9	Very low	159 Å²	159	147 Å²	147	83%	0.832	79%	0.793	S	S	*	*	S	Bend	trans	-134.2	74.5	174.5	-73.4	176.2	0	0	0	110.2
190	A	27.7	Very low	29.1	Very low	87 Å²	87	145.9 Å²	145.9	72%	0.719	79%	0.793	S	S	*	*			trans	-156.2	156	171	0	0	0	0	0	110.4
191	L	28.5	Very low	29.6	Very low	166 Å²	166	146.2 Å²	146.2	87%	0.869	80%	0.799	S	S	*	*			trans	70.2	116.9	176.6	-54.3	174.1	0	0	0	114.8
192	T	29	Very low	29.8	Very low	123 Å²	123	149.4 Å²	149.4	76%	0.755	81%	0.81	S	S	*	*			cis	-143.3	141.8	-3.9	28.4	0	0	0	0	112
193	K	27	Very low	29.9	Very low	186 Å²	186	151.1 Å²	151.1	81%	0.809	81%	0.813	S	S	*	*			trans	-83.2	132.7	139.9	-82.9	-172	166.7	-163.3	0	107.5
194	G	27.1	Very low	30	Very low	69 Å²	69	148 Å²	148	71%	0.711	81%	0.806	S	S	*	*			trans	-106.1	130.6	156	0	0	0	0	0	108.5
195	E	28.1	Very low	30.2	Very low	162 Å²	162	148.6 Å²	148.6	76%	0.757	80%	0.802	S	S	*	*			trans	-106.9	94.6	169.8	-72.2	-176.4	167.7	0	0	108.5
196	D	29.6	Very low	30.8	Very low	162 Å²	162	146.8 Å²	146.8	87%	0.866	80%	0.798	S	S	*	*			trans	-86	120.2	171.1	-81.2	-42.6	0	0	0	110.5	Q198	D196-Q198 PolarHBondContact O-N 2.74Å
197	I	34.3	Very low	31.2	Very low	164 Å²	164	147.5 Å²	147.5	84%	0.841	80%	0.795	S	S	*	*	S	Bend	trans	-84.8	81.1	-176	-53.7	178.2	0	0	0	110.2
198	Q	36.3	Very low	32.1	Very low	163 Å²	163	147.9 Å²	147.9	76%	0.762	80%	0.795	S	S	*	*	S	Bend	trans	-146.4	92.5	152.2	-164.2	66.7	27	0	0	108.9	D196 N200	D196-Q198 PolarHBondContact O-N 2.74Å; Q198-N200 PolarHBondContact O-N 3.33Å
199	G	43.3	Very low	33.8	Very low	81 Å²	81	142.5 Å²	142.5	84%	0.835	78%	0.782	S	S	*	*			trans	-53.3	104.1	-158.6	0	0	0	0	0	116.1
200	N	31.8	Very low	35.8	Very low	154 Å²	154	137.9 Å²	137.9	82%	0.824	76%	0.758	S	S	*	*			trans	-124.4	156.4	164.1	-82.1	-57.8	0	0	0	109.5	Q198	Q198-N200 PolarHBondContact O-N 3.33Å
201	T	34.9	Very low	37.9	Very low	123 Å²	123	137.6 Å²	137.6	76%	0.755	74%	0.744	S	S	*	*			trans	-68	144.5	-168.5	47.6	0	0	0	0	114.1	H203	T201-H203 PolarHBondContact O-N 3.07Å; T201-H203 VanDerWaalsContact O-N 3.16Å
202	E	28.1	Very low	40.4	Very low	198 Å²	198	131.4 Å²	131.4	93%	0.925	71%	0.71	S	S	*	*			trans	-51.5	112.5	-178.8	-59.2	179	148.1	0	0	113.2	K204	E202-K204 PolarHBondContact O-N 3.16Å
203	H	30.1	Very low	43.1	Very low	181 Å²	181	130.9 Å²	130.9	84%	0.838	70%	0.697	S	S	*	*			trans	-74.2	104.6	169.8	-84.2	-92.1	0	0	0	110.2	T201 P205	T201-H203 PolarHBondContact O-N 3.07Å; T201-H203 VanDerWaalsContact O-N 3.16Å; H203-P205 WeakPolarHBondContact O-CD 3.46Å
204	K	28.1	Very low	45.7	Very low	186 Å²	186	122.5 Å²	122.5	81%	0.809	66%	0.664	S	S	*	*			trans	-68.6	114.8	166.3	-156.9	178.1	-172	-177.1	0	108.2	E202 T206	E202-K204 PolarHBondContact O-N 3.16Å; K204-T206 PolarHBondContact O-N 3.05Å; K204-T206 PolarHBondContact O-OG1 3.38Å
205	P	30.5	Very low	48.2	Very low	113 Å²	113	127.3 Å²	127.3	73%	0.734	66%	0.662	S	S	*	*			trans	-68.6	107.7	-173.4	26.5	-33.6	0	0	0	110.1	H203 F207	H203-P205 WeakPolarHBondContact O-CD 3.46Å; P205-F207 VanDerWaalsContact C-N 3.33Å; P205-F207 PolarHBondContact O-N 3.33Å
206	T	37.4	Very low	50.8	Low	123 Å²	123	120 Å²	120	76%	0.755	63%	0.628	S	S	*	*			trans	-94.8	66	-176.9	-52.4	0	0	0	0	109.8	K204	K204-T206 PolarHBondContact O-N 3.05Å; K204-T206 PolarHBondContact O-OG1 3.38Å
207	F	36.5	Very low	53.3	Low	178 Å²	178	115.2 Å²	115.2	78%	0.781	60%	0.6	S	S	*	*			trans	-138.5	127.9	170.3	-65.5	-71.1	0	0	0	109.4	P205	P205-F207 VanDerWaalsContact C-N 3.33Å; P205-F207 PolarHBondContact O-N 3.33Å
208	P	48.9	Very low	55.6	Low	91 Å²	91	107.5 Å²	107.5	59%	0.591	56%	0.561	S	S	*	*			trans	-64.6	148.3	156.3	29.1	-30.6	0	0	0	108.7	I210	P208-I210 HydrophobicContact CG-CD1 4.23Å; P208-I210 HydrophobicContact CG-CG1 4.11Å; P208-I210 PolarHBondContact O-N 3.45Å
209	N	61.7	Low	57.7	Low	123 Å²	123	102 Å²	102	66%	0.658	53%	0.533	S	S	*	.			trans	-75	67	-177.1	-71.1	-29	0	0	0	111.7	L211 P235	N209-L211 PolarHBondContact O-N 3.25Å; N209-P235 HydrophobicContact CB-CG 3.78Å; N209-P235 VanDerWaalsContact O-CD 3.28Å; N209-P235 WeakPolarHBondContact O-CD 3.35Å
210	I	73.1	Confident	58.9	Low	63 Å²	63	102.8 Å²	102.8	32%	0.323	51%	0.51	S	S	.	.			trans	-64.8	119.6	179.8	-58.9	169.6	0	0	0	109.3	P208 K213 E232 L233	P208-I210 HydrophobicContact CG-CD1 4.23Å; P208-I210 HydrophobicContact CG-CG1 4.11Å; P208-I210 PolarHBondContact O-N 3.45Å; I210-K213 HydrophobicContact CG2-CB 4.31Å; I210-K213 HydrophobicContact CG2-CD 4.29Å; I210-E232 HydrophobicContact CG2-CB 4.48Å; I210-L233 CarbonylContact C-O 3.51Å; I210-L233 WeakPolarHBondContact CA-O 3.47Å
211	L	72.9	Confident	60.4	Low	80 Å²	80	100.5 Å²	100.5	42%	0.419	50%	0.498	S	S	.	.			trans	-89.8	-32.1	-175.1	-59.3	177.9	0	0	0	112.5	N209 L233 P235 V304	N209-L211 PolarHBondContact O-N 3.25Å; L211-L233 HydrophobicContact CB-CD2 4.49Å; L211-L233 HydrophobicContact CB-CG 4.43Å; L211-L233 PolarHBondContact N-O 2.8Å; L211-P235 HydrophobicContact CD1-CB 4.24Å; L211-P235 HydrophobicContact CD1-CG 4.24Å; L211-P235 HydrophobicContact CG-CG 4.34Å; L211-V304 HydrophobicContact CD1-CG1 4.37Å; L211-V304 HydrophobicContact CD1-CG2 3.36Å
212	K	80.2	Confident	61.5	Low	36 Å²	36	99.2 Å²	99.2	16%	0.157	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	149	173.1	-171.7	171.9	169.5	75.3	0	110.3	L233 D296 W297 K300	K212-L233 HydrophobicContact CB-CB 4.5Å; K212-L233 PolarHBondContact O-N 2.76Å; K212-D296 WeakPolarHBondContact CD-OD2 3.44Å; K212-D296 VanDerWaalsContact CE-OD2 3.3Å; K212-D296 WeakPolarHBondContact CE-OD2 3.39Å; K212-D296 IonicContact NZ-OD2 2.7Å; K212-D296 PolarHBondContact NZ-OD2 3.18Å; K212-W297 HydrophobicContact CB-CE3 4.42Å; K212-W297 HydrophobicContact CB-CH2 4.34Å; K212-W297 HydrophobicContact CB-CZ3 4.12Å; K212-W297 HydrophobicContact CD-CD2 3.59Å; K212-W297 HydrophobicContact CD-CE3 3.78Å; K212-W297 HydrophobicContact CD-CG 3.99Å; K212-W297 HydrophobicContact CD-CH2 4.47Å; K212-W297 HydrophobicContact CD-CZ2 4.31Å; K212-W297 HydrophobicContact CD-CZ3 4.23Å; K212-W297 VanDerWaalsContact CE-NE1 3.26Å; K212-W297 HydrophobicContact CG-CD2 4.19Å; K212-W297 HydrophobicContact CG-CE3 4.15Å; K212-W297 HydrophobicContact CG-CH2 4.02Å; K212-W297 HydrophobicContact CG-CZ2 4.04Å; K212-W297 HydrophobicContact CG-CZ3 4.07Å; K212-K300 HydrophobicContact CD-CD 4.33Å
213	K	84.9	Confident	62.6	Low	112 Å²	112	97.8 Å²	97.8	49%	0.487	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	155.9	168.9	63.4	-174	-160.7	165.2	0	113.1	I210 Y230 A231 E232	I210-K213 HydrophobicContact CG2-CB 4.31Å; I210-K213 HydrophobicContact CG2-CD 4.29Å; K213-Y230 HydrophobicContact CB-CE1 4.43Å; K213-Y230 HydrophobicContact CD-CE1 4.44Å; K213-Y230 VanDerWaalsContact CD-OH 3.23Å; K213-Y230 WeakPolarHBondContact CD-OH 3.37Å; K213-Y230 WeakPolarHBondContact CE-OH 3.36Å; K213-Y230 WeakPolarHBondContact CG-OH 3.39Å; K213-A231 WeakPolarHBondContact CA-O 3.42Å; K213-A231 WeakPolarHBondContact CB-O 3.13Å; K213-E232 HydrophobicContact CB-CB 4.38Å; K213-E232 HydrophobicContact CB-CG 3.86Å; K213-E232 HydrophobicContact CD-CG 4.29Å; K213-E232 WeakPolarHBondContact CD-OE1 3.32Å; K213-E232 IonicContact NZ-OE1 2.6Å; K213-E232 PolarHBondContact NZ-OE1 3.15Å; K213-E232 VanDerWaalsContact NZ-OE1 3.1Å
214	G	81.1	Confident	64.3	Low	11 Å²	11	90.8 Å²	90.8	11%	0.113	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.7	177	-174.5	0	0	0	0	0	112.6	Y230 A231	G214-Y230 WeakPolarHBondContact O-CD2 3.43Å; G214-A231 PolarHBondContact N-O 2.9Å; G214-A231 VanDerWaalsContact N-O 3.09Å; G214-A231 PolarHBondContact O-N 3.5Å
215	Y	80.4	Confident	66.4	Low	170 Å²	170	90.5 Å²	90.5	67%	0.667	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.3	141.4	175.8	-67.2	-81.9	0	0	0	110.8	C229 Y230	Y215-C229 WeakPolarHBondContact CA-O 3.43Å; Y215-Y230 AromaticContact CD1-CD2 3.73Å; Y215-Y230 HydrophobicContact CD1-CD2 3.73Å; Y215-Y230 HydrophobicContact CD1-CG 4.42Å; Y215-Y230 HydrophobicContact CD2-CD2 4.08Å; Y215-Y230 HydrophobicContact CD2-CE2 4.34Å; Y215-Y230 AromaticContact CE1-CD2 3.6Å; Y215-Y230 HydrophobicContact CE1-CD2 3.6Å; Y215-Y230 HydrophobicContact CE1-CE2 4.48Å; Y215-Y230 HydrophobicContact CE1-CG 4.21Å; Y215-Y230 AromaticContact CE2-CD2 3.96Å; Y215-Y230 HydrophobicContact CE2-CD2 3.96Å; Y215-Y230 HydrophobicContact CE2-CE2 4.1Å; Y215-Y230 AromaticContact CG-CD2 3.97Å; Y215-Y230 HydrophobicContact CG-CD2 3.97Å; Y215-Y230 AromaticContact CZ-CD2 3.72Å
216	L	83.4	Confident	68.7	Low	8 Å²	8	89.3 Å²	89.3	4%	0.042	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	153.7	179.6	-68.3	177.7	0	0	0	109.8	I218 C229 A231 L286 K287 A288 W297	L216-I218 HydrophobicContact CB-CG2 4.49Å; L216-C229 PolarHBondContact N-O 2.72Å; L216-C229 PolarHBondContact O-N 3.1Å; L216-C229 VanDerWaalsContact O-O 3.05Å; L216-C229 PolarHBondContact O-SG 2.85Å; L216-A231 HydrophobicContact CD1-CB 3.7Å; L216-A231 HydrophobicContact CG-CB 4.22Å; L216-L286 HydrophobicContact CD1-CB 4.33Å; L216-K287 CarbonylContact C-O 3.6Å; L216-K287 WeakPolarHBondContact CA-O 3.29Å; L216-A288 HydrophobicContact CD2-CB 3.73Å; L216-W297 HydrophobicContact CD1-CD2 4.08Å; L216-W297 HydrophobicContact CD1-CG 4.43Å; L216-W297 HydrophobicContact CD1-CZ2 4.12Å; L216-W297 HydrophobicContact CD2-CG 4.45Å; L216-W297 HydrophobicContact CG-CZ2 4.38Å
217	E	81.4	Confident	70.7	Confident	61 Å²	61	85.9 Å²	85.9	29%	0.285	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	141.7	157.4	-72	174.4	-132.3	0	0	108.9	W226 Q227 T228 K287	E217-W226 HydrophobicContact CB-CB 4.45Å; E217-W226 HydrophobicContact CB-CE3 3.96Å; E217-W226 WeakPolarHBondContact OE2-CB 3.46Å; E217-Q227 CarbonylContact C-O 3.52Å; E217-Q227 WeakPolarHBondContact CA-O 3.22Å; E217-T228 HydrophobicContact CG-CG2 3.85Å; E217-K287 HydrophobicContact CB-CB 4.07Å; E217-K287 HydrophobicContact CB-CD 4.21Å; E217-K287 HydrophobicContact CB-CG 4.41Å; E217-K287 PolarHBondContact N-O 2.71Å; E217-K287 PolarHBondContact O-N 2.78Å; E217-K287 IonicContact OE1-NZ 2.67Å; E217-K287 PolarHBondContact OE1-NZ 3.26Å; E217-K287 WeakPolarHBondContact OE2-CD 3.42Å; E217-K287 IonicContact OE2-NZ 2.87Å; E217-K287 PolarHBondContact OE2-NZ 2.71Å
218	I	83	Confident	72.6	Confident	3 Å²	3	81.1 Å²	81.1	2%	0.015	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	154.9	-179.9	69.7	168.8	0	0	0	112.4	L216 W226 Q227 C229 L240 L284 Q285 L286	L216-I218 HydrophobicContact CB-CG2 4.49Å; I218-W226 WeakPolarHBondContact O-CA 3.42Å; I218-Q227 PolarHBondContact N-O 2.88Å; I218-Q227 PolarHBondContact O-N 3.18Å; I218-C229 VanDerWaalsContact CG2-SG 3.51Å; I218-L240 HydrophobicContact CD1-CD1 4.1Å; I218-L240 HydrophobicContact CG2-CD1 4.33Å; I218-L284 HydrophobicContact CB-CD1 4.46Å; I218-Q285 WeakPolarHBondContact CA-O 3.49Å; I218-L286 HydrophobicContact CB-CD2 4.31Å; I218-L286 HydrophobicContact CG2-CD2 3.54Å
219	R	79.7	Confident	74.2	Confident	48 Å²	48	76.9 Å²	76.9	18%	0.181	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	132.5	179.1	-162.8	172.8	-167.6	-120.7	-3.7	109.1	N222 S224 W226 Q285	R219-N222 VanDerWaalsContact CZ-O 3.24Å; R219-N222 PolarHBondContact NH1-O 3.48Å; R219-N222 VanDerWaalsContact NH1-O 3.11Å; R219-N222 VanDerWaalsContact NH2-C 3.28Å; R219-N222 PolarHBondContact NH2-O 3.28Å; R219-S224 WeakPolarHBondContact CG-OG 3.46Å; R219-S224 VanDerWaalsContact CZ-O 3.26Å; R219-S224 PolarHBondContact NE-O 3.32Å; R219-S224 PolarHBondContact NH2-O 2.9Å; R219-W226 HydrophobicContact CB-CD2 4.11Å; R219-W226 HydrophobicContact CB-CE3 3.74Å; R219-W226 HydrophobicContact CB-CH2 3.95Å; R219-W226 HydrophobicContact CB-CZ2 4.32Å; R219-W226 HydrophobicContact CB-CZ3 3.65Å; R219-Q285 HydrophobicContact CB-CB 4.16Å; R219-Q285 PolarHBondContact N-O 3.48Å; R219-Q285 PolarHBondContact O-N 3.42Å
220	R	68.1	Low	75.2	Confident	96 Å²	96	74 Å²	74	36%	0.362	35%	0.347	S	S	.	.	S	Bend	trans	-106.8	-15.3	-170.4	-61.9	-178.9	-177.2	-168.8	-2.8	114	S224 T253 Q283 L284	R220-S224 PolarHBondContact N-OG 3.04Å; R220-S224 VanDerWaalsContact N-OG 3.16Å; R220-T253 PolarHBondContact NH2-OG1 2.96Å; R220-Q283 CarbonylContact C-O 3.54Å; R220-Q283 VanDerWaalsContact C-O 3.27Å; R220-L284 HydrophobicContact CG-CD1 4.38Å
221	D	65.1	Low	75.7	Confident	106 Å²	106	71 Å²	71	57%	0.567	33%	0.332	S	S	*	.	S	Bend	trans	-150.7	154.4	179	-74.5	-70.6	0	0	0	110.5	D223 S224	D221-D223 PolarHBondContact O-N 3.41Å; D221-D223 VanDerWaalsContact O-N 3.07Å; D221-S224 PolarHBondContact N-OG 3.47Å; D221-S224 PolarHBondContact O-N 3.09Å; D221-S224 PolarHBondContact O-OG 3.46Å
222	N	57.3	Low	76.3	Confident	97 Å²	97	68.6 Å²	68.6	52%	0.519	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-10.3	179.2	-82.5	-53.6	0	0	0	115.4	R219 Q283	R219-N222 VanDerWaalsContact CZ-O 3.24Å; R219-N222 PolarHBondContact NH1-O 3.48Å; R219-N222 VanDerWaalsContact NH1-O 3.11Å; R219-N222 VanDerWaalsContact NH2-C 3.28Å; R219-N222 PolarHBondContact NH2-O 3.28Å; N222-Q283 PolarHBondContact ND2-OE1 3.33Å
223	D	51.4	Low	76.3	Confident	168 Å²	168	66.9 Å²	66.9	90%	0.898	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	-3.5	171	-92.1	-21.4	0	0	0	113.9	D221	D221-D223 PolarHBondContact O-N 3.41Å; D221-D223 VanDerWaalsContact O-N 3.07Å
224	S	66.1	Low	76.1	Confident	34 Å²	34	61.9 Å²	61.9	24%	0.238	29%	0.29	C	S	.	.	S	Bend	trans	-75.5	161.5	179.2	64.4	0	0	0	0	112.6	R219 R220 D221	R219-S224 WeakPolarHBondContact CG-OG 3.46Å; R219-S224 VanDerWaalsContact CZ-O 3.26Å; R219-S224 PolarHBondContact NE-O 3.32Å; R219-S224 PolarHBondContact NH2-O 2.9Å; R220-S224 PolarHBondContact N-OG 3.04Å; R220-S224 VanDerWaalsContact N-OG 3.16Å; D221-S224 PolarHBondContact N-OG 3.47Å; D221-S224 PolarHBondContact O-N 3.09Å; D221-S224 PolarHBondContact O-OG 3.46Å
225	Y	72.1	Confident	75.6	Confident	180 Å²	180	63 Å²	63	71%	0.706	30%	0.295	S	S	*	.	P	Polyproline II helix	trans	-87.4	158.2	172.5	59.6	-91.6	0	0	0	111.3	Q227	Y225-Q227 HydrophobicContact CE2-CB 4.28Å
226	W	78.1	Confident	75.1	Confident	87 Å²	87	63.2 Å²	63.2	33%	0.33	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-74.5	127.6	173.4	-68.8	100.5	0	0	0	110.5	E217 I218 R219 V273 Q285 K287	E217-W226 HydrophobicContact CB-CB 4.45Å; E217-W226 HydrophobicContact CB-CE3 3.96Å; E217-W226 WeakPolarHBondContact OE2-CB 3.46Å; I218-W226 WeakPolarHBondContact O-CA 3.42Å; R219-W226 HydrophobicContact CB-CD2 4.11Å; R219-W226 HydrophobicContact CB-CE3 3.74Å; R219-W226 HydrophobicContact CB-CH2 3.95Å; R219-W226 HydrophobicContact CB-CZ2 4.32Å; R219-W226 HydrophobicContact CB-CZ3 3.65Å; W226-V273 HydrophobicContact CH2-CG1 3.95Å; W226-V273 HydrophobicContact CH2-CG2 4.17Å; W226-V273 HydrophobicContact CZ2-CG2 4.43Å; W226-Q285 HydrophobicContact CH2-CB 3.81Å; W226-Q285 HydrophobicContact CZ3-CB 4.23Å; W226-K287 HydrophobicContact CD2-CD 4.1Å; W226-K287 HydrophobicContact CE3-CB 3.87Å; W226-K287 HydrophobicContact CE3-CD 4.06Å; W226-K287 HydrophobicContact CH2-CB 3.82Å; W226-K287 HydrophobicContact CH2-CD 4.35Å; W226-K287 HydrophobicContact CZ2-CD 4.35Å; W226-K287 HydrophobicContact CZ3-CB 3.38Å; W226-K287 HydrophobicContact CZ3-CD 4.21Å; W226-K287 HydrophobicContact CZ3-CG 4.43Å
227	Q	79.3	Confident	75	Confident	51 Å²	51	66.1 Å²	66.1	24%	0.238	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	132.9	177.1	-174.3	176.9	13.9	0	0	110.6	E217 I218 Y225 C242 L243	E217-Q227 CarbonylContact C-O 3.52Å; E217-Q227 WeakPolarHBondContact CA-O 3.22Å; I218-Q227 PolarHBondContact N-O 2.88Å; I218-Q227 PolarHBondContact O-N 3.18Å; Y225-Q227 HydrophobicContact CE2-CB 4.28Å; Q227-C242 HydrophobicContact CG-CB 4.43Å; Q227-L243 PolarHBondContact NE2-O 3.3Å
228	T	77.6	Confident	74.9	Confident	78 Å²	78	63.2 Å²	63.2	48%	0.479	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	139.3	175.8	45.2	0	0	0	0	112.1	E217 L243	E217-T228 HydrophobicContact CG-CG2 3.85Å; T228-L243 PolarHBondContact O-N 3.31Å
229	C	82.1	Confident	74.8	Confident	3 Å²	3	65.7 Å²	65.7	2%	0.02	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	161.4	174.6	72.5	0	0	0	0	112	Y215 L216 I218 Y241 C242	Y215-C229 WeakPolarHBondContact CA-O 3.43Å; L216-C229 PolarHBondContact N-O 2.72Å; L216-C229 PolarHBondContact O-N 3.1Å; L216-C229 VanDerWaalsContact O-O 3.05Å; L216-C229 PolarHBondContact O-SG 2.85Å; I218-C229 VanDerWaalsContact CG2-SG 3.51Å; C229-Y241 CarbonylContact C-O 3.6Å; C229-Y241 WeakPolarHBondContact CA-O 3.48Å; C229-Y241 VanDerWaalsContact CB-O 3.25Å; C229-Y241 WeakPolarHBondContact CB-O 3.46Å; C229-C242 HydrophobicContact CB-CB 4.39Å
230	Y	82.4	Confident	74.8	Confident	63 Å²	63	63.4 Å²	63.4	25%	0.247	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	142.4	156.3	-168.5	-113.9	0	0	0	109.2	K213 G214 Y215 E232 Y241	K213-Y230 HydrophobicContact CB-CE1 4.43Å; K213-Y230 HydrophobicContact CD-CE1 4.44Å; K213-Y230 VanDerWaalsContact CD-OH 3.23Å; K213-Y230 WeakPolarHBondContact CD-OH 3.37Å; K213-Y230 WeakPolarHBondContact CE-OH 3.36Å; K213-Y230 WeakPolarHBondContact CG-OH 3.39Å; G214-Y230 WeakPolarHBondContact O-CD2 3.43Å; Y215-Y230 AromaticContact CD1-CD2 3.73Å; Y215-Y230 HydrophobicContact CD1-CD2 3.73Å; Y215-Y230 HydrophobicContact CD1-CG 4.42Å; Y215-Y230 HydrophobicContact CD2-CD2 4.08Å; Y215-Y230 HydrophobicContact CD2-CE2 4.34Å; Y215-Y230 AromaticContact CE1-CD2 3.6Å; Y215-Y230 HydrophobicContact CE1-CD2 3.6Å; Y215-Y230 HydrophobicContact CE1-CE2 4.48Å; Y215-Y230 HydrophobicContact CE1-CG 4.21Å; Y215-Y230 AromaticContact CE2-CD2 3.96Å; Y215-Y230 HydrophobicContact CE2-CD2 3.96Å; Y215-Y230 HydrophobicContact CE2-CE2 4.1Å; Y215-Y230 AromaticContact CG-CD2 3.97Å; Y215-Y230 HydrophobicContact CG-CD2 3.97Å; Y215-Y230 AromaticContact CZ-CD2 3.72Å; Y230-E232 HydrophobicContact CD1-CG 4.01Å; Y230-E232 HydrophobicContact CE1-CG 3.62Å; Y230-Y241 HydrophobicContact CD1-CD2 4.28Å; Y230-Y241 PolarHBondContact N-O 2.73Å; Y230-Y241 PolarHBondContact O-N 3.09Å
231	A	83.9	Confident	75.3	Confident	0 Å²	0	62 Å²	62	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	136.9	-179.1	0	0	0	0	0	110.8	K213 G214 L216 Y239 L240 W297	K213-A231 WeakPolarHBondContact CA-O 3.42Å; K213-A231 WeakPolarHBondContact CB-O 3.13Å; G214-A231 PolarHBondContact N-O 2.9Å; G214-A231 VanDerWaalsContact N-O 3.09Å; G214-A231 PolarHBondContact O-N 3.5Å; L216-A231 HydrophobicContact CD1-CB 3.7Å; L216-A231 HydrophobicContact CG-CB 4.22Å; A231-Y239 WeakPolarHBondContact CA-O 3.5Å; A231-L240 HydrophobicContact CB-CD2 3.54Å; A231-W297 HydrophobicContact CB-CH2 3.59Å; A231-W297 HydrophobicContact CB-CZ2 3.95Å; A231-W297 HydrophobicContact CB-CZ3 4.27Å
232	E	84.7	Confident	75.7	Confident	29 Å²	29	57.1 Å²	57.1	14%	0.136	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	122.5	170.6	-59.9	-160.5	134.1	0	0	109.8	I210 K213 Y230 Y239 Y241	I210-E232 HydrophobicContact CG2-CB 4.48Å; K213-E232 HydrophobicContact CB-CB 4.38Å; K213-E232 HydrophobicContact CB-CG 3.86Å; K213-E232 HydrophobicContact CD-CG 4.29Å; K213-E232 WeakPolarHBondContact CD-OE1 3.32Å; K213-E232 IonicContact NZ-OE1 2.6Å; K213-E232 PolarHBondContact NZ-OE1 3.15Å; K213-E232 VanDerWaalsContact NZ-OE1 3.1Å; Y230-E232 HydrophobicContact CD1-CG 4.01Å; Y230-E232 HydrophobicContact CE1-CG 3.62Å; E232-Y239 HydrophobicContact CB-CD2 4.29Å; E232-Y239 PolarHBondContact N-O 3.42Å; E232-Y239 WeakPolarHBondContact O-CD2 3.4Å; E232-Y239 PolarHBondContact O-N 3.33Å; E232-Y241 HydrophobicContact CB-CE2 4.47Å; E232-Y241 HydrophobicContact CG-CE2 4.13Å
233	L	80.2	Confident	75.9	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	124	176.4	176.1	65.4	0	0	0	110	I210 L211 K212 L238 L257 W297 K300 L301	I210-L233 CarbonylContact C-O 3.51Å; I210-L233 WeakPolarHBondContact CA-O 3.47Å; L211-L233 HydrophobicContact CB-CD2 4.49Å; L211-L233 HydrophobicContact CB-CG 4.43Å; L211-L233 PolarHBondContact N-O 2.8Å; K212-L233 HydrophobicContact CB-CB 4.5Å; K212-L233 PolarHBondContact O-N 2.76Å; L233-L238 HydrophobicContact CB-CD1 4.14Å; L233-L238 HydrophobicContact CD1-CB 4.32Å; L233-L238 HydrophobicContact CD1-CD1 4.24Å; L233-L257 HydrophobicContact CD1-CD1 3.69Å; L233-L257 HydrophobicContact CD1-CD2 3.97Å; L233-L257 HydrophobicContact CD1-CG 4.41Å; L233-W297 HydrophobicContact CB-CZ3 3.96Å; L233-K300 HydrophobicContact CD2-CB 3.83Å; L233-L301 HydrophobicContact CD1-CD2 3.74Å; L233-L301 HydrophobicContact CD2-CD2 4.35Å; L233-L301 HydrophobicContact CD2-CG 4.35Å
234	S	81	Confident	76.2	Confident	7 Å²	7	50.3 Å²	50.3	5%	0.049	23%	0.229	C	C	.	.			trans	-103.6	179.8	169.5	77.9	0	0	0	0	110.7	Y236 E237 L257	S234-Y236 PolarHBondContact O-N 3.3Å; S234-Y236 PolarHBondContact OG-N 3.06Å; S234-E237 WeakPolarHBondContact CB-O 3.45Å; S234-E237 PolarHBondContact N-O 2.99Å; S234-E237 WeakPolarHBondContact OG-CA 3.37Å; S234-E237 PolarHBondContact OG-N 3.18Å; S234-E237 PolarHBondContact OG-O 3.34Å; S234-L257 WeakPolarHBondContact O-CD1 3.43Å
235	P	69.9	Low	75.4	Confident	35 Å²	35	55.5 Å²	55.5	23%	0.227	27%	0.266	C	S	.	.	S	Bend	trans	-73.8	-5.3	179.4	-14.1	31.7	0	0	0	114.2	N209 L211 V304	N209-P235 HydrophobicContact CB-CG 3.78Å; N209-P235 VanDerWaalsContact O-CD 3.28Å; N209-P235 WeakPolarHBondContact O-CD 3.35Å; L211-P235 HydrophobicContact CD1-CB 4.24Å; L211-P235 HydrophobicContact CD1-CG 4.24Å; L211-P235 HydrophobicContact CG-CG 4.34Å; P235-V304 WeakPolarHBondContact O-CG1 3.26Å
236	Y	70.6	Confident	74.4	Confident	174 Å²	174	51.2 Å²	51.2	68%	0.682	26%	0.262	S	S	*	.	S	Bend	trans	-136.8	-22.7	-174.5	-54.1	-65	0	0	0	113.8	S234 L257	S234-Y236 PolarHBondContact O-N 3.3Å; S234-Y236 PolarHBondContact OG-N 3.06Å; Y236-L257 WeakPolarHBondContact O-CB 3.31Å; Y236-L257 PolarHBondContact O-N 3.49Å
237	E	80.6	Confident	73	Confident	69 Å²	69	49.7 Å²	49.7	32%	0.322	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	143	-173	-58.7	-177.7	160.9	0	0	111.6	S234 Y239 V254	S234-E237 WeakPolarHBondContact CB-O 3.45Å; S234-E237 PolarHBondContact N-O 2.99Å; S234-E237 WeakPolarHBondContact OG-CA 3.37Å; S234-E237 PolarHBondContact OG-N 3.18Å; S234-E237 PolarHBondContact OG-O 3.34Å; E237-Y239 HydrophobicContact CB-CE1 4.18Å; E237-Y239 HydrophobicContact CB-CE2 4.38Å; E237-Y239 VanDerWaalsContact OE2-CE1 3.3Å; E237-Y239 WeakPolarHBondContact OE2-CE1 3.46Å; E237-Y239 VanDerWaalsContact OE2-CZ 3.25Å; E237-Y239 PolarHBondContact OE2-OH 3.24Å; E237-V254 HydrophobicContact CB-CG1 4Å; E237-V254 HydrophobicContact CG-CG1 4.26Å
238	L	80.4	Confident	71.6	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	122.8	167.8	175.3	70.3	0	0	0	109.4	L233 L240 Y255 L257 F260 L286 W297 L301	L233-L238 HydrophobicContact CB-CD1 4.14Å; L233-L238 HydrophobicContact CD1-CB 4.32Å; L233-L238 HydrophobicContact CD1-CD1 4.24Å; L238-L240 HydrophobicContact CD1-CD2 4.3Å; L238-L240 HydrophobicContact CD2-CD1 4.34Å; L238-L240 HydrophobicContact CD2-CD2 4.24Å; L238-L240 HydrophobicContact CD2-CG 4.32Å; L238-L240 HydrophobicContact CG-CD2 4.15Å; L238-L240 HydrophobicContact CG-CG 4.24Å; L238-Y255 PolarHBondContact N-O 2.84Å; L238-Y255 PolarHBondContact O-N 2.85Å; L238-L257 HydrophobicContact CB-CD2 4.14Å; L238-F260 HydrophobicContact CD2-CZ 4.06Å; L238-L286 HydrophobicContact CD2-CD1 4.32Å; L238-W297 HydrophobicContact CD1-CZ3 4.35Å; L238-L301 HydrophobicContact CD2-CD2 4.21Å
239	Y	80.3	Confident	70.3	Confident	54 Å²	54	55.6 Å²	55.6	21%	0.212	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	129.1	175.7	-50.9	-75.5	0	0	0	110.4	A231 E232 E237 V254	A231-Y239 WeakPolarHBondContact CA-O 3.5Å; E232-Y239 HydrophobicContact CB-CD2 4.29Å; E232-Y239 PolarHBondContact N-O 3.42Å; E232-Y239 WeakPolarHBondContact O-CD2 3.4Å; E232-Y239 PolarHBondContact O-N 3.33Å; E237-Y239 HydrophobicContact CB-CE1 4.18Å; E237-Y239 HydrophobicContact CB-CE2 4.38Å; E237-Y239 VanDerWaalsContact OE2-CE1 3.3Å; E237-Y239 WeakPolarHBondContact OE2-CE1 3.46Å; E237-Y239 VanDerWaalsContact OE2-CZ 3.25Å; E237-Y239 PolarHBondContact OE2-OH 3.24Å; Y239-V254 HydrophobicContact CD1-CB 4.2Å; Y239-V254 HydrophobicContact CD1-CG1 3.8Å; Y239-V254 HydrophobicContact CD1-CG2 3.67Å; Y239-V254 HydrophobicContact CE1-CB 4.41Å; Y239-V254 HydrophobicContact CE1-CG1 3.63Å; Y239-V254 HydrophobicContact CE1-CG2 3.97Å
240	L	79.7	Confident	69.1	Low	0 Å²	0	58 Å²	58	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	106.8	177.5	-60.5	178.4	0	0	0	111.1	I218 A231 L238 P252 T253 Y255 L284 L286	I218-L240 HydrophobicContact CD1-CD1 4.1Å; I218-L240 HydrophobicContact CG2-CD1 4.33Å; A231-L240 HydrophobicContact CB-CD2 3.54Å; L238-L240 HydrophobicContact CD1-CD2 4.3Å; L238-L240 HydrophobicContact CD2-CD1 4.34Å; L238-L240 HydrophobicContact CD2-CD2 4.24Å; L238-L240 HydrophobicContact CD2-CG 4.32Å; L238-L240 HydrophobicContact CG-CD2 4.15Å; L238-L240 HydrophobicContact CG-CG 4.24Å; L240-P252 CarbonylContact O-C 3.56Å; L240-P252 WeakPolarHBondContact O-CA 3.34Å; L240-T253 PolarHBondContact N-O 2.87Å; L240-T253 PolarHBondContact O-N 2.72Å; L240-Y255 HydrophobicContact CD1-CD2 4.1Å; L240-Y255 HydrophobicContact CD1-CE2 3.85Å; L240-L284 HydrophobicContact CD1-CD1 4.47Å; L240-L284 HydrophobicContact CD1-CD2 4.2Å; L240-L286 HydrophobicContact CD1-CD2 4.18Å
241	Y	79.6	Confident	67.7	Low	67 Å²	67	61.9 Å²	61.9	26%	0.263	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	91.5	-178.8	-56.4	-101.6	0	0	0	110.1	C229 Y230 E232 P252	C229-Y241 CarbonylContact C-O 3.6Å; C229-Y241 WeakPolarHBondContact CA-O 3.48Å; C229-Y241 VanDerWaalsContact CB-O 3.25Å; C229-Y241 WeakPolarHBondContact CB-O 3.46Å; Y230-Y241 HydrophobicContact CD1-CD2 4.28Å; Y230-Y241 PolarHBondContact N-O 2.73Å; Y230-Y241 PolarHBondContact O-N 3.09Å; E232-Y241 HydrophobicContact CB-CE2 4.47Å; E232-Y241 HydrophobicContact CG-CE2 4.13Å; Y241-P252 HydrophobicContact CD1-CB 3.7Å; Y241-P252 HydrophobicContact CD1-CG 4.06Å; Y241-P252 HydrophobicContact CD2-CB 4.34Å; Y241-P252 HydrophobicContact CE1-CB 3.6Å; Y241-P252 HydrophobicContact CE1-CG 3.66Å; Y241-P252 HydrophobicContact CE2-CB 4.24Å; Y241-P252 HydrophobicContact CG-CB 4.07Å
242	C	72.6	Confident	66.9	Low	3 Å²	3	64 Å²	64	2%	0.02	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	154.4	178.5	-62.7	0	0	0	0	112.2	Q227 C229 T250	Q227-C242 HydrophobicContact CG-CB 4.43Å; C229-C242 HydrophobicContact CB-CB 4.39Å; C242-T250 PolarHBondContact O-N 3.16Å; C242-T250 PolarHBondContact O-OG1 3.08Å; C242-T250 VanDerWaalsContact O-OG1 3.13Å
243	L	62	Low	66.3	Low	68 Å²	68	64.6 Å²	64.6	36%	0.356	36%	0.356	S	S	.	.	B	Isolated β-bridge	trans	-97.9	141.2	165.3	-69.6	169.4	0	0	0	109.9	Q227 T228 N248 Q249	Q227-L243 PolarHBondContact NE2-O 3.3Å; T228-L243 PolarHBondContact O-N 3.31Å; L243-N248 WeakPolarHBondContact CA-O 3.49Å; L243-Q249 HydrophobicContact CD2-CG 3.78Å
244	D	57.2	Low	66.2	Low	54 Å²	54	67.6 Å²	67.6	29%	0.289	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-80.9	167.5	168.7	75.8	23.8	0	0	0	111.9	S246 G247 N248 T250	D244-S246 PolarHBondContact O-N 2.82Å; D244-S246 VanDerWaalsContact O-N 3.09Å; D244-S246 VanDerWaalsContact OD1-CA 3.22Å; D244-S246 WeakPolarHBondContact OD1-CA 3.18Å; D244-S246 WeakPolarHBondContact OD1-CB 3.25Å; D244-S246 PolarHBondContact OD1-N 3.29Å; D244-S246 PolarHBondContact OD1-OG 2.98Å; D244-S246 PolarHBondContact OD2-OG 3.49Å; D244-G247 PolarHBondContact O-N 2.86Å; D244-G247 PolarHBondContact OD1-N 2.72Å; D244-N248 PolarHBondContact N-O 2.69Å; D244-N248 PolarHBondContact OD1-N 3.21Å; D244-N248 PolarHBondContact OD1-ND2 3.35Å; D244-N248 WeakPolarHBondContact OD2-CB 3.46Å; D244-N248 PolarHBondContact OD2-ND2 2.95Å; D244-T250 HydrophobicContact CB-CG2 4.29Å
245	S	49.8	Very low	65.9	Low	143 Å²	143	69.1 Å²	69.1	100%	1	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	4.4	179.5	47.8	0	0	0	0	114.6
246	S	49.7	Very low	66.2	Low	91 Å²	91	69.7 Å²	69.7	64%	0.636	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.9	2.9	167.7	42.1	0	0	0	0	113.4	D244 N248	D244-S246 PolarHBondContact O-N 2.82Å; D244-S246 VanDerWaalsContact O-N 3.09Å; D244-S246 VanDerWaalsContact OD1-CA 3.22Å; D244-S246 WeakPolarHBondContact OD1-CA 3.18Å; D244-S246 WeakPolarHBondContact OD1-CB 3.25Å; D244-S246 PolarHBondContact OD1-N 3.29Å; D244-S246 PolarHBondContact OD1-OG 2.98Å; D244-S246 PolarHBondContact OD2-OG 3.49Å; S246-N248 PolarHBondContact OG-ND2 2.9Å
247	G	49.9	Very low	66.3	Low	54 Å²	54	61.4 Å²	61.4	56%	0.557	35%	0.351	S	S	*	.	S	Bend	trans	86.3	8	176.1	0	0	0	0	0	115.5	D244	D244-G247 PolarHBondContact O-N 2.86Å; D244-G247 PolarHBondContact OD1-N 2.72Å
248	N	50.3	Low	65.6	Low	92 Å²	92	63.7 Å²	63.7	49%	0.492	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-81.5	147.9	174.5	-44.8	-71.6	0	0	0	110.7	L243 D244 S246	L243-N248 WeakPolarHBondContact CA-O 3.49Å; D244-N248 PolarHBondContact N-O 2.69Å; D244-N248 PolarHBondContact OD1-N 3.21Å; D244-N248 PolarHBondContact OD1-ND2 3.35Å; D244-N248 WeakPolarHBondContact OD2-CB 3.46Å; D244-N248 PolarHBondContact OD2-ND2 2.95Å; S246-N248 PolarHBondContact OG-ND2 2.9Å
249	Q	49.8	Very low	64.9	Low	161 Å²	161	68.1 Å²	68.1	75%	0.752	38%	0.384	S	S	*	.	B	Isolated β-bridge	trans	-76.3	121.1	170.4	-65.9	175.5	6.3	0	0	109.5	L243	L243-Q249 HydrophobicContact CD2-CG 3.78Å
250	T	56.5	Low	64.4	Low	54 Å²	54	66 Å²	66	33%	0.331	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-75.5	160.8	170.4	71.3	0	0	0	0	109.9	C242 D244	C242-T250 PolarHBondContact O-N 3.16Å; C242-T250 PolarHBondContact O-OG1 3.08Å; C242-T250 VanDerWaalsContact O-OG1 3.13Å; D244-T250 HydrophobicContact CB-CG2 4.29Å
251	L	54.1	Low	63.4	Low	145 Å²	145	72.6 Å²	72.6	76%	0.759	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-54.9	142.7	170.1	-67.1	172.1	0	0	0	110.5	T253	L251-T253 PolarHBondContact O-N 3.41Å
252	P	65.9	Low	62.4	Low	45 Å²	45	76.8 Å²	76.8	29%	0.292	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-62.2	127.4	179.1	22.6	-31.4	0	0	0	110.8	L240 Y241 V254	L240-P252 CarbonylContact O-C 3.56Å; L240-P252 WeakPolarHBondContact O-CA 3.34Å; Y241-P252 HydrophobicContact CD1-CB 3.7Å; Y241-P252 HydrophobicContact CD1-CG 4.06Å; Y241-P252 HydrophobicContact CD2-CB 4.34Å; Y241-P252 HydrophobicContact CE1-CB 3.6Å; Y241-P252 HydrophobicContact CE1-CG 3.66Å; Y241-P252 HydrophobicContact CE2-CB 4.24Å; Y241-P252 HydrophobicContact CG-CB 4.07Å; P252-V254 PolarHBondContact O-N 2.96Å
253	T	72.9	Confident	62.2	Low	40 Å²	40	77 Å²	77	25%	0.245	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	116.3	165.4	-48.8	0	0	0	0	107.5	R220 L240 L251 Y255	R220-T253 PolarHBondContact NH2-OG1 2.96Å; L240-T253 PolarHBondContact N-O 2.87Å; L240-T253 PolarHBondContact O-N 2.72Å; L251-T253 PolarHBondContact O-N 3.41Å; T253-Y255 HydrophobicContact CG2-CD2 4.1Å; T253-Y255 HydrophobicContact CG2-CE2 3.35Å
254	V	78.1	Confident	62.2	Low	64 Å²	64	75.6 Å²	75.6	39%	0.388	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	125.7	-177.2	-170.9	0	0	0	0	109.5	E237 Y239 P252	E237-V254 HydrophobicContact CB-CG1 4Å; E237-V254 HydrophobicContact CG-CG1 4.26Å; Y239-V254 HydrophobicContact CD1-CB 4.2Å; Y239-V254 HydrophobicContact CD1-CG1 3.8Å; Y239-V254 HydrophobicContact CD1-CG2 3.67Å; Y239-V254 HydrophobicContact CE1-CB 4.41Å; Y239-V254 HydrophobicContact CE1-CG1 3.63Å; Y239-V254 HydrophobicContact CE1-CG2 3.97Å; P252-V254 PolarHBondContact O-N 2.96Å
255	Y	74.6	Confident	62.5	Low	38 Å²	38	73.6 Å²	73.6	15%	0.149	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	105.5	174.7	-67.4	-93.5	0	0	0	109.9	L238 L240 T253 L257 F260 L278 L284	L238-Y255 PolarHBondContact N-O 2.84Å; L238-Y255 PolarHBondContact O-N 2.85Å; L240-Y255 HydrophobicContact CD1-CD2 4.1Å; L240-Y255 HydrophobicContact CD1-CE2 3.85Å; T253-Y255 HydrophobicContact CG2-CD2 4.1Å; T253-Y255 HydrophobicContact CG2-CE2 3.35Å; Y255-L257 PolarHBondContact O-N 2.8Å; Y255-F260 HydrophobicContact CG-CZ 4.44Å; Y255-L278 HydrophobicContact CD1-CD1 3.75Å; Y255-L278 HydrophobicContact CD1-CD2 4.25Å; Y255-L278 HydrophobicContact CE1-CD1 3.6Å; Y255-L284 HydrophobicContact CD1-CD2 4.45Å; Y255-L284 HydrophobicContact CD2-CD2 4.32Å; Y255-L284 HydrophobicContact CE1-CD2 4.23Å; Y255-L284 HydrophobicContact CE2-CD2 4.1Å; Y255-L284 HydrophobicContact CG-CD2 4.49Å
256	P	75.8	Confident	62.6	Low	47 Å²	47	69.8 Å²	69.8	31%	0.305	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	130.5	173.7	-18.4	29.9	0	0	0	110.7	M258 H259	P256-M258 PolarHBondContact O-N 2.93Å; P256-M258 VanDerWaalsContact O-N 3.12Å; P256-H259 WeakPolarHBondContact O-CB 3.45Å; P256-H259 PolarHBondContact O-N 3.02Å
257	L	72.8	Confident	62.5	Low	0 Å²	0	66.5 Å²	66.5	0%	0	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-66.1	-20.6	-170.7	-64	173.5	0	0	0	113	L233 S234 Y236 L238 Y255 H259 F260 L301 V304 V305	L233-L257 HydrophobicContact CD1-CD1 3.69Å; L233-L257 HydrophobicContact CD1-CD2 3.97Å; L233-L257 HydrophobicContact CD1-CG 4.41Å; S234-L257 WeakPolarHBondContact O-CD1 3.43Å; Y236-L257 WeakPolarHBondContact O-CB 3.31Å; Y236-L257 PolarHBondContact O-N 3.49Å; L238-L257 HydrophobicContact CB-CD2 4.14Å; Y255-L257 PolarHBondContact O-N 2.8Å; L257-H259 PolarHBondContact O-N 2.83Å; L257-H259 VanDerWaalsContact O-N 3.14Å; L257-F260 HydrophobicContact CD2-CD2 4.02Å; L257-F260 HydrophobicContact CD2-CE2 3.85Å; L257-F260 HydrophobicContact CD2-CZ 4.48Å; L257-F260 PolarHBondContact O-N 2.95Å; L257-F260 VanDerWaalsContact O-N 3.13Å; L257-L301 HydrophobicContact CD2-CD2 3.86Å; L257-V304 HydrophobicContact CD1-CB 4.07Å; L257-V304 HydrophobicContact CD1-CG1 3.33Å; L257-V305 HydrophobicContact CB-CG2 4.12Å; L257-V305 HydrophobicContact CD2-CG2 4.2Å
258	M	64.9	Low	62.1	Low	117 Å²	117	66.2 Å²	66.2	58%	0.576	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-54.4	-23.9	167.7	-64.7	-64.6	-66.8	0	0	114.1	P256	P256-M258 PolarHBondContact O-N 2.93Å; P256-M258 VanDerWaalsContact O-N 3.12Å
259	H	66.4	Low	61.9	Low	94 Å²	94	68.2 Å²	68.2	44%	0.435	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-90.1	-6.9	180	-68.7	-65.8	0	0	0	114.2	P256 L257 Q261 L278 S279	P256-H259 WeakPolarHBondContact O-CB 3.45Å; P256-H259 PolarHBondContact O-N 3.02Å; L257-H259 PolarHBondContact O-N 2.83Å; L257-H259 VanDerWaalsContact O-N 3.14Å; H259-Q261 PolarHBondContact O-N 3.36Å; H259-L278 HydrophobicContact CB-CD2 4.14Å; H259-L278 CarbonylContact O-C 3.5Å; H259-L278 VanDerWaalsContact O-CA 3.25Å; H259-L278 WeakPolarHBondContact O-CA 3.29Å; H259-S279 PolarHBondContact ND1-OG 3.4Å; H259-S279 PolarHBondContact O-N 3.17Å
260	F	69.8	Low	61.7	Low	9 Å²	9	68.7 Å²	68.7	4%	0.039	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	112.6	179	-72	-107.6	0	0	0	109.7	L238 Y255 L257 T276 L278 L284 V305	L238-F260 HydrophobicContact CD2-CZ 4.06Å; Y255-F260 HydrophobicContact CG-CZ 4.44Å; L257-F260 HydrophobicContact CD2-CD2 4.02Å; L257-F260 HydrophobicContact CD2-CE2 3.85Å; L257-F260 HydrophobicContact CD2-CZ 4.48Å; L257-F260 PolarHBondContact O-N 2.95Å; L257-F260 VanDerWaalsContact O-N 3.13Å; F260-T276 HydrophobicContact CD1-CG2 4.16Å; F260-T276 HydrophobicContact CE1-CG2 4.08Å; F260-L278 HydrophobicContact CD1-CD2 4.09Å; F260-L278 HydrophobicContact CD2-CD2 3.77Å; F260-L278 HydrophobicContact CE1-CD2 4.1Å; F260-L278 HydrophobicContact CE2-CD2 3.83Å; F260-L278 HydrophobicContact CG-CD2 3.93Å; F260-L278 HydrophobicContact CZ-CD2 3.99Å; F260-L284 HydrophobicContact CE1-CD2 4.49Å; F260-L284 HydrophobicContact CZ-CD2 4.44Å; F260-V305 HydrophobicContact CB-CG1 4Å; F260-V305 HydrophobicContact CB-CG2 3.65Å; F260-V305 HydrophobicContact CG-CG2 4.17Å; F260-V305 VanDerWaalsContact O-CG1 3.23Å; F260-V305 WeakPolarHBondContact O-CG1 3.41Å
261	Q	59.8	Low	61.8	Low	138 Å²	138	68.6 Å²	68.6	65%	0.645	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	-30.1	-178.5	-168.4	173.4	4.5	0	0	112.4	H259 V277	H259-Q261 PolarHBondContact O-N 3.36Å; Q261-V277 PolarHBondContact N-O 3.45Å
262	R	57.3	Low	62.5	Low	156 Å²	156	65.8 Å²	65.8	59%	0.589	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.8	139.9	175.2	-165.2	169.9	68.8	-165.9	0.4	111.9	T264 T276 V277	R262-T264 HydrophobicContact CG-CG2 4.15Å; R262-T276 WeakPolarHBondContact O-CA 2.95Å; R262-V277 HydrophobicContact CB-CB 4.27Å; R262-V277 HydrophobicContact CB-CG2 4.45Å; R262-V277 PolarHBondContact N-O 3.37Å; R262-V277 PolarHBondContact O-N 2.94Å
263	V	69.3	Low	62.9	Low	8 Å²	8	64.5 Å²	64.5	5%	0.048	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	125.1	171.1	179	0	0	0	0	107.7	V274 T276 L301 W302	V263-V274 HydrophobicContact CG1-CG1 3.92Å; V263-T276 HydrophobicContact CB-CG2 4.49Å; V263-T276 HydrophobicContact CG1-CG2 4.2Å; V263-T276 HydrophobicContact CG2-CG2 4.06Å; V263-L301 HydrophobicContact CG2-CB 4.47Å; V263-W302 HydrophobicContact CB-CB 4.35Å; V263-W302 HydrophobicContact CG1-CB 4.45Å
264	T	62	Low	63.1	Low	38 Å²	38	62.7 Å²	62.7	23%	0.233	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	125.8	-177.1	36.3	0	0	0	0	109.6	R262 D275	R262-T264 HydrophobicContact CG-CG2 4.15Å; T264-D275 PolarHBondContact N-O 3.09Å; T264-D275 WeakPolarHBondContact O-CA 3.2Å; T264-D275 WeakPolarHBondContact O-CB 3.45Å; T264-D275 PolarHBondContact O-N 2.87Å; T264-D275 VanDerWaalsContact O-O 3.06Å; T264-D275 PolarHBondContact OG1-O 3.26Å
265	V	62.7	Low	62.9	Low	12 Å²	12	60.9 Å²	60.9	7%	0.073	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	120.6	172.4	-176.1	0	0	0	0	107.7	G267 V274 L295	V265-G267 PolarHBondContact O-N 2.99Å; V265-V274 HydrophobicContact CG2-CG1 4.34Å; V265-V274 HydrophobicContact CG2-CG2 4.34Å; V265-L295 HydrophobicContact CB-CD2 4.39Å; V265-L295 HydrophobicContact CG1-CD2 3.95Å; V265-L295 HydrophobicContact CG2-CD2 4.38Å
266	T	51.8	Low	62.9	Low	63 Å²	63	59.1 Å²	59.1	39%	0.387	30%	0.302	S	S	.	.			trans	-72.2	101.6	-177.8	6.8	0	0	0	0	109.6	S268 T271 D275	T266-S268 PolarHBondContact O-N 2.93Å; T266-T271 PolarHBondContact O-OG1 3.3Å; T266-D275 WeakPolarHBondContact CB-OD2 3.03Å; T266-D275 WeakPolarHBondContact CG2-OD2 3.05Å; T266-D275 PolarHBondContact OG1-OD2 3.34Å
267	G	48.4	Very low	62.5	Low	22 Å²	22	57.9 Å²	57.9	23%	0.227	29%	0.293	C	S	.	.			trans	-75.7	89.6	-164.9	0	0	0	0	0	115.6	S158 V265	S158-G267 PolarHBondContact N-O 2.87Å; S158-G267 WeakPolarHBondContact O-CA 3.36Å; V265-G267 PolarHBondContact O-N 2.99Å
268	S	40	Very low	62.5	Low	47 Å²	47	58.4 Å²	58.4	33%	0.329	30%	0.296	S	S	.	.			trans	-130.3	154	148.5	82.8	0	0	0	0	108.6	T266 E270 T271	T266-S268 PolarHBondContact O-N 2.93Å; S268-E270 PolarHBondContact O-N 3.36Å; S268-T271 WeakPolarHBondContact CB-OG1 3.48Å; S268-T271 PolarHBondContact N-OG1 3.27Å; S268-T271 PolarHBondContact O-N 3.1Å; S268-T271 PolarHBondContact O-OG1 3.16Å; S268-T271 VanDerWaalsContact O-OG1 3.06Å; S268-T271 WeakPolarHBondContact OG-CB 3.15Å; S268-T271 WeakPolarHBondContact OG-CG2 3.26Å; S268-T271 PolarHBondContact OG-N 3.3Å; S268-T271 VanDerWaalsContact OG-N 3.15Å; S268-T271 PolarHBondContact OG-OG1 2.97Å
269	I	47	Very low	62.3	Low	135 Å²	135	55.8 Å²	55.8	69%	0.692	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-12.4	-176.5	-82.3	166.6	0	0	0	113.2	S291	I269-S291 PolarHBondContact O-OG 3.42Å
270	E	46.6	Very low	61.9	Low	171 Å²	171	56.4 Å²	56.4	80%	0.799	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	-16.5	-179	-60.7	-179.9	172.6	0	0	113.6	S268 K272	S268-E270 PolarHBondContact O-N 3.36Å; E270-K272 PolarHBondContact O-N 2.83Å; E270-K272 VanDerWaalsContact O-N 3.13Å
271	T	56.9	Low	61.3	Low	52 Å²	52	61.8 Å²	61.8	32%	0.319	33%	0.325	S	S	.	.			trans	-76.8	102.3	177.5	33	0	0	0	0	111	T266 S268 V273	T266-T271 PolarHBondContact O-OG1 3.3Å; S268-T271 WeakPolarHBondContact CB-OG1 3.48Å; S268-T271 PolarHBondContact N-OG1 3.27Å; S268-T271 PolarHBondContact O-N 3.1Å; S268-T271 PolarHBondContact O-OG1 3.16Å; S268-T271 VanDerWaalsContact O-OG1 3.06Å; S268-T271 WeakPolarHBondContact OG-CB 3.15Å; S268-T271 WeakPolarHBondContact OG-CG2 3.26Å; S268-T271 PolarHBondContact OG-N 3.3Å; S268-T271 VanDerWaalsContact OG-N 3.15Å; S268-T271 PolarHBondContact OG-OG1 2.97Å; T271-V273 PolarHBondContact O-N 2.88Å
272	K	69.1	Low	61.9	Low	85 Å²	85	57.1 Å²	57.1	37%	0.37	31%	0.307	S	S	.	.			trans	-72.4	27.4	175.8	-46.1	-176.9	-176.9	-173	0	113.6	E270 K287 A288 E289 A294	E270-K272 PolarHBondContact O-N 2.83Å; E270-K272 VanDerWaalsContact O-N 3.13Å; K272-K287 HydrophobicContact CB-CG 4.26Å; K272-K287 CarbonylContact O-C 3.58Å; K272-K287 WeakPolarHBondContact O-CA 3.49Å; K272-A288 WeakPolarHBondContact CB-O 3.48Å; K272-A288 WeakPolarHBondContact CD-O 3.18Å; K272-A288 PolarHBondContact O-N 3.22Å; K272-E289 WeakPolarHBondContact CD-O 3.36Å; K272-E289 VanDerWaalsContact CE-O 3.31Å; K272-E289 WeakPolarHBondContact CE-O 3.38Å; K272-E289 PolarHBondContact NZ-O 3.47Å; K272-A294 VanDerWaalsContact C-CB 3.46Å; K272-A294 WeakPolarHBondContact O-CB 3.32Å
273	V	75.6	Confident	62.7	Low	19 Å²	19	53.7 Å²	53.7	12%	0.115	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	137.9	-162	-171.9	0	0	0	0	112.4	W226 T271 Q285 L286 K287	W226-V273 HydrophobicContact CH2-CG1 3.95Å; W226-V273 HydrophobicContact CH2-CG2 4.17Å; W226-V273 HydrophobicContact CZ2-CG2 4.43Å; T271-V273 PolarHBondContact O-N 2.88Å; V273-Q285 HydrophobicContact CG1-CB 4.02Å; V273-L286 CarbonylContact C-O 3.57Å; V273-L286 WeakPolarHBondContact CA-O 3.21Å; V273-K287 HydrophobicContact CG2-CB 4.14Å; V273-K287 HydrophobicContact CG2-CG 4.14Å
274	V	76.6	Confident	63.2	Low	1 Å²	1	53.5 Å²	53.5	1%	0.006	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	121.9	170.2	-174	0	0	0	0	108.1	V263 V265 T276 Q285 L286 A294	V263-V274 HydrophobicContact CG1-CG1 3.92Å; V265-V274 HydrophobicContact CG2-CG1 4.34Å; V265-V274 HydrophobicContact CG2-CG2 4.34Å; V274-T276 HydrophobicContact CG1-CG2 4.22Å; V274-Q285 CarbonylContact O-C 3.6Å; V274-Q285 WeakPolarHBondContact O-CA 3.37Å; V274-L286 HydrophobicContact CB-CB 4.38Å; V274-L286 PolarHBondContact N-O 2.78Å; V274-L286 PolarHBondContact O-N 3.45Å; V274-A294 HydrophobicContact CG2-CB 4.1Å; V274-A294 WeakPolarHBondContact CG2-O 3.33Å
275	D	73.1	Confident	64.1	Low	26 Å²	26	52.8 Å²	52.8	14%	0.139	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	129.6	175	-60.4	-48.9	0	0	0	110.3	T264 T266 Q285	T264-D275 PolarHBondContact N-O 3.09Å; T264-D275 WeakPolarHBondContact O-CA 3.2Å; T264-D275 WeakPolarHBondContact O-CB 3.45Å; T264-D275 PolarHBondContact O-N 2.87Å; T264-D275 VanDerWaalsContact O-O 3.06Å; T264-D275 PolarHBondContact OG1-O 3.26Å; T266-D275 WeakPolarHBondContact CB-OD2 3.03Å; T266-D275 WeakPolarHBondContact CG2-OD2 3.05Å; T266-D275 PolarHBondContact OG1-OD2 3.34Å; D275-Q285 WeakPolarHBondContact OD1-CG 3.47Å; D275-Q285 PolarHBondContact OD1-NE2 3.41Å
276	T	74.9	Confident	65	Low	1 Å²	1	52.3 Å²	52.3	1%	0.006	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	137.8	175.6	67.5	0	0	0	0	110.9	F260 R262 V263 V274 Q283 L284	F260-T276 HydrophobicContact CD1-CG2 4.16Å; F260-T276 HydrophobicContact CE1-CG2 4.08Å; R262-T276 WeakPolarHBondContact O-CA 2.95Å; V263-T276 HydrophobicContact CB-CG2 4.49Å; V263-T276 HydrophobicContact CG1-CG2 4.2Å; V263-T276 HydrophobicContact CG2-CG2 4.06Å; V274-T276 HydrophobicContact CG1-CG2 4.22Å; T276-Q283 WeakPolarHBondContact O-CA 3.44Å; T276-L284 PolarHBondContact N-O 3.04Å; T276-L284 PolarHBondContact O-N 3.23Å; T276-L284 WeakPolarHBondContact OG1-CB 3.3Å; T276-L284 PolarHBondContact OG1-O 3.39Å
277	V	68.2	Low	66.4	Low	22 Å²	22	51.9 Å²	51.9	13%	0.133	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	122.2	178.3	-174.6	0	0	0	0	108.2	Q261 R262	Q261-V277 PolarHBondContact N-O 3.45Å; R262-V277 HydrophobicContact CB-CB 4.27Å; R262-V277 HydrophobicContact CB-CG2 4.45Å; R262-V277 PolarHBondContact N-O 3.37Å; R262-V277 PolarHBondContact O-N 2.94Å
278	L	72.8	Confident	68.1	Low	10 Å²	10	51.1 Å²	51.1	5%	0.052	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	162	178.8	-68.9	164.6	0	0	0	111.1	Y255 H259 F260 D280 N281 S282 L284	Y255-L278 HydrophobicContact CD1-CD1 3.75Å; Y255-L278 HydrophobicContact CD1-CD2 4.25Å; Y255-L278 HydrophobicContact CE1-CD1 3.6Å; H259-L278 HydrophobicContact CB-CD2 4.14Å; H259-L278 CarbonylContact O-C 3.5Å; H259-L278 VanDerWaalsContact O-CA 3.25Å; H259-L278 WeakPolarHBondContact O-CA 3.29Å; F260-L278 HydrophobicContact CD1-CD2 4.09Å; F260-L278 HydrophobicContact CD2-CD2 3.77Å; F260-L278 HydrophobicContact CE1-CD2 4.1Å; F260-L278 HydrophobicContact CE2-CD2 3.83Å; F260-L278 HydrophobicContact CG-CD2 3.93Å; F260-L278 HydrophobicContact CZ-CD2 3.99Å; L278-D280 WeakPolarHBondContact CB-OD1 3.37Å; L278-D280 PolarHBondContact O-N 2.93Å; L278-D280 VanDerWaalsContact O-N 3.08Å; L278-N281 WeakPolarHBondContact O-CA 3.49Å; L278-N281 PolarHBondContact O-N 3.48Å; L278-S282 WeakPolarHBondContact CD1-OG 3.5Å; L278-S282 PolarHBondContact N-O 3.05Å; L278-L284 HydrophobicContact CD1-CB 4.45Å
279	S	59.6	Low	69.7	Low	63 Å²	63	56.7 Å²	56.7	44%	0.441	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-5.8	-173.5	57	0	0	0	0	114.9	H259	H259-S279 PolarHBondContact ND1-OG 3.4Å; H259-S279 PolarHBondContact O-N 3.17Å
280	D	59	Low	71.1	Confident	107 Å²	107	52.7 Å²	52.7	57%	0.572	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-1.2	169.4	63.4	-8.1	0	0	0	113	L278 S282	L278-D280 WeakPolarHBondContact CB-OD1 3.37Å; L278-D280 PolarHBondContact O-N 2.93Å; L278-D280 VanDerWaalsContact O-N 3.08Å; D280-S282 VanDerWaalsContact CG-OG 3.32Å; D280-S282 VanDerWaalsContact OD1-CB 3.3Å; D280-S282 WeakPolarHBondContact OD1-CB 3.46Å; D280-S282 PolarHBondContact OD1-N 3.37Å; D280-S282 PolarHBondContact OD1-OG 2.79Å; D280-S282 PolarHBondContact OD2-OG 3.42Å
281	N	57.2	Low	72.4	Confident	122 Å²	122	46.3 Å²	46.3	65%	0.652	25%	0.252	S	S	*	.	S	Bend	trans	73.6	11.7	-170.3	-48.8	-90.6	0	0	0	115.7	L278	L278-N281 WeakPolarHBondContact O-CA 3.49Å; L278-N281 PolarHBondContact O-N 3.48Å
282	S	71.8	Confident	73.1	Confident	39 Å²	39	53.8 Å²	53.8	27%	0.273	27%	0.274	S	S	.	.			trans	-70.5	153.7	170.3	66.3	0	0	0	0	111.9	L278 D280	L278-S282 WeakPolarHBondContact CD1-OG 3.5Å; L278-S282 PolarHBondContact N-O 3.05Å; D280-S282 VanDerWaalsContact CG-OG 3.32Å; D280-S282 VanDerWaalsContact OD1-CB 3.3Å; D280-S282 WeakPolarHBondContact OD1-CB 3.46Å; D280-S282 PolarHBondContact OD1-N 3.37Å; D280-S282 PolarHBondContact OD1-OG 2.79Å; D280-S282 PolarHBondContact OD2-OG 3.42Å
283	Q	74.2	Confident	73.6	Confident	85 Å²	85	51.9 Å²	51.9	40%	0.397	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	104.6	-174.5	-68.4	-173.8	-4.7	0	0	111.3	R220 N222 T276	R220-Q283 CarbonylContact C-O 3.54Å; R220-Q283 VanDerWaalsContact C-O 3.27Å; N222-Q283 PolarHBondContact ND2-OE1 3.33Å; T276-Q283 WeakPolarHBondContact O-CA 3.44Å
284	L	80.1	Confident	73.7	Confident	3 Å²	3	51 Å²	51	2%	0.016	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	111.5	174.6	172.5	66	0	0	0	109.1	I218 R220 L240 Y255 F260 T276 L278 L286	I218-L284 HydrophobicContact CB-CD1 4.46Å; R220-L284 HydrophobicContact CG-CD1 4.38Å; L240-L284 HydrophobicContact CD1-CD1 4.47Å; L240-L284 HydrophobicContact CD1-CD2 4.2Å; Y255-L284 HydrophobicContact CD1-CD2 4.45Å; Y255-L284 HydrophobicContact CD2-CD2 4.32Å; Y255-L284 HydrophobicContact CE1-CD2 4.23Å; Y255-L284 HydrophobicContact CE2-CD2 4.1Å; Y255-L284 HydrophobicContact CG-CD2 4.49Å; F260-L284 HydrophobicContact CE1-CD2 4.49Å; F260-L284 HydrophobicContact CZ-CD2 4.44Å; T276-L284 PolarHBondContact N-O 3.04Å; T276-L284 PolarHBondContact O-N 3.23Å; T276-L284 WeakPolarHBondContact OG1-CB 3.3Å; T276-L284 PolarHBondContact OG1-O 3.39Å; L278-L284 HydrophobicContact CD1-CB 4.45Å; L284-L286 HydrophobicContact CD1-CD2 4.02Å; L284-L286 HydrophobicContact CD2-CD2 4.18Å; L284-L286 HydrophobicContact CG-CD2 3.92Å; L284-L286 HydrophobicContact CG-CG 4.44Å
285	Q	80.8	Confident	73.6	Confident	24 Å²	24	53.9 Å²	53.9	11%	0.112	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	130.1	173.6	-40.4	-172.4	-88.4	0	0	109.5	I218 R219 W226 V273 V274 D275	I218-Q285 WeakPolarHBondContact CA-O 3.49Å; R219-Q285 HydrophobicContact CB-CB 4.16Å; R219-Q285 PolarHBondContact N-O 3.48Å; R219-Q285 PolarHBondContact O-N 3.42Å; W226-Q285 HydrophobicContact CH2-CB 3.81Å; W226-Q285 HydrophobicContact CZ3-CB 4.23Å; V273-Q285 HydrophobicContact CG1-CB 4.02Å; V274-Q285 CarbonylContact O-C 3.6Å; V274-Q285 WeakPolarHBondContact O-CA 3.37Å; D275-Q285 WeakPolarHBondContact OD1-CG 3.47Å; D275-Q285 PolarHBondContact OD1-NE2 3.41Å
286	L	81.8	Confident	73.7	Confident	2 Å²	2	55 Å²	55	1%	0.01	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	124.1	178.7	-55.4	178.7	0	0	0	109.3	L216 I218 L238 L240 V273 V274 L284 L301	L216-L286 HydrophobicContact CD1-CB 4.33Å; I218-L286 HydrophobicContact CB-CD2 4.31Å; I218-L286 HydrophobicContact CG2-CD2 3.54Å; L238-L286 HydrophobicContact CD2-CD1 4.32Å; L240-L286 HydrophobicContact CD1-CD2 4.18Å; V273-L286 CarbonylContact C-O 3.57Å; V273-L286 WeakPolarHBondContact CA-O 3.21Å; V274-L286 HydrophobicContact CB-CB 4.38Å; V274-L286 PolarHBondContact N-O 2.78Å; V274-L286 PolarHBondContact O-N 3.45Å; L284-L286 HydrophobicContact CD1-CD2 4.02Å; L284-L286 HydrophobicContact CD2-CD2 4.18Å; L284-L286 HydrophobicContact CG-CD2 3.92Å; L284-L286 HydrophobicContact CG-CG 4.44Å; L286-L301 HydrophobicContact CD1-CD1 3.68Å
287	K	81.6	Confident	74	Confident	53 Å²	53	55 Å²	55	23%	0.23	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	124.1	-176	174.4	-172.1	167.5	-145.6	0	110.9	L216 E217 W226 K272 V273	L216-K287 CarbonylContact C-O 3.6Å; L216-K287 WeakPolarHBondContact CA-O 3.29Å; E217-K287 HydrophobicContact CB-CB 4.07Å; E217-K287 HydrophobicContact CB-CD 4.21Å; E217-K287 HydrophobicContact CB-CG 4.41Å; E217-K287 PolarHBondContact N-O 2.71Å; E217-K287 PolarHBondContact O-N 2.78Å; E217-K287 IonicContact OE1-NZ 2.67Å; E217-K287 PolarHBondContact OE1-NZ 3.26Å; E217-K287 WeakPolarHBondContact OE2-CD 3.42Å; E217-K287 IonicContact OE2-NZ 2.87Å; E217-K287 PolarHBondContact OE2-NZ 2.71Å; W226-K287 HydrophobicContact CD2-CD 4.1Å; W226-K287 HydrophobicContact CE3-CB 3.87Å; W226-K287 HydrophobicContact CE3-CD 4.06Å; W226-K287 HydrophobicContact CH2-CB 3.82Å; W226-K287 HydrophobicContact CH2-CD 4.35Å; W226-K287 HydrophobicContact CZ2-CD 4.35Å; W226-K287 HydrophobicContact CZ3-CB 3.38Å; W226-K287 HydrophobicContact CZ3-CD 4.21Å; W226-K287 HydrophobicContact CZ3-CG 4.43Å; K272-K287 HydrophobicContact CB-CG 4.26Å; K272-K287 CarbonylContact O-C 3.58Å; K272-K287 WeakPolarHBondContact O-CA 3.49Å; V273-K287 HydrophobicContact CG2-CB 4.14Å; V273-K287 HydrophobicContact CG2-CG 4.14Å
288	A	82.3	Confident	74.4	Confident	7 Å²	7	54 Å²	54	6%	0.058	28%	0.276	C	S	.	.			trans	-98.2	174.2	-175.9	0	0	0	0	0	113.2	L216 K272 S290 E293 A294	L216-A288 HydrophobicContact CD2-CB 3.73Å; K272-A288 WeakPolarHBondContact CB-O 3.48Å; K272-A288 WeakPolarHBondContact CD-O 3.18Å; K272-A288 PolarHBondContact O-N 3.22Å; A288-S290 VanDerWaalsContact C-N 3.31Å; A288-E293 HydrophobicContact CB-CB 3.89Å; A288-E293 HydrophobicContact CB-CG 3.82Å; A288-A294 HydrophobicContact CB-CB 3.99Å
289	E	75.4	Confident	74.5	Confident	164 Å²	164	57 Å²	57	77%	0.766	29%	0.29	S	S	*	.	S	Bend	trans	-74.5	-24.5	177.2	-164	180	168.4	0	0	111.8	K272 E293	K272-E289 WeakPolarHBondContact CD-O 3.36Å; K272-E289 VanDerWaalsContact CE-O 3.31Å; K272-E289 WeakPolarHBondContact CE-O 3.38Å; K272-E289 PolarHBondContact NZ-O 3.47Å; E289-E293 PolarHBondContact N-OE2 3.09Å; E289-E293 VanDerWaalsContact N-OE2 3.07Å
290	S	75	Confident	75.4	Confident	50 Å²	50	56.9 Å²	56.9	35%	0.35	28%	0.281	S	S	.	.	S	Bend	trans	-135.4	157.6	174	69.5	0	0	0	0	113.1	A288 W292 E293 A294	A288-S290 VanDerWaalsContact C-N 3.31Å; S290-W292 VanDerWaalsContact C-N 3.3Å; S290-W292 PolarHBondContact O-N 3.44Å; S290-E293 PolarHBondContact O-N 3.38Å; S290-E293 VanDerWaalsContact OG-CB 3.24Å; S290-E293 WeakPolarHBondContact OG-CB 3.3Å; S290-E293 PolarHBondContact OG-N 2.82Å; S290-E293 VanDerWaalsContact OG-N 3.09Å; S290-A294 PolarHBondContact O-N 3.36Å
291	S	73.9	Confident	76.3	Confident	38 Å²	38	51.8 Å²	51.8	27%	0.266	25%	0.254	S	S	.	.	H	α-helix	trans	-64.7	-33.3	174.8	43.2	0	0	0	0	112.6	I269 A294 L295	I269-S291 PolarHBondContact O-OG 3.42Å; S291-A294 PolarHBondContact O-N 3.08Å; S291-L295 WeakPolarHBondContact O-CG 3.49Å; S291-L295 PolarHBondContact O-N 2.98Å
292	W	72.3	Confident	77.1	Confident	208 Å²	208	48.4 Å²	48.4	79%	0.788	23%	0.232	S	C	*	.	H	α-helix	trans	-63.5	-41.6	170.5	-76	108.8	0	0	0	112.9	S290 L295 D296	S290-W292 VanDerWaalsContact C-N 3.3Å; S290-W292 PolarHBondContact O-N 3.44Å; W292-L295 HydrophobicContact CE3-CD1 4.38Å; W292-L295 PolarHBondContact O-N 3.07Å; W292-D296 WeakPolarHBondContact O-CB 3.4Å; W292-D296 PolarHBondContact O-N 3.31Å
293	E	80.1	Confident	77.2	Confident	45 Å²	45	50.9 Å²	50.9	21%	0.21	24%	0.239	C	C	.	.	H	α-helix	trans	-68.6	-36.9	177	-176	-178.5	-152.2	0	0	112	A288 E289 S290 D296 W297	A288-E293 HydrophobicContact CB-CB 3.89Å; A288-E293 HydrophobicContact CB-CG 3.82Å; E289-E293 PolarHBondContact N-OE2 3.09Å; E289-E293 VanDerWaalsContact N-OE2 3.07Å; S290-E293 PolarHBondContact O-N 3.38Å; S290-E293 VanDerWaalsContact OG-CB 3.24Å; S290-E293 WeakPolarHBondContact OG-CB 3.3Å; S290-E293 PolarHBondContact OG-N 2.82Å; S290-E293 VanDerWaalsContact OG-N 3.09Å; E293-D296 PolarHBondContact O-N 3.23Å; E293-W297 VanDerWaalsContact O-CD1 3.23Å; E293-W297 PolarHBondContact O-N 2.94Å
294	A	77.6	Confident	77.2	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.008	23%	0.225	C	C	.	.	H	α-helix	trans	-60.7	-47.7	172.8	0	0	0	0	0	111.4	K272 V274 A288 S290 S291 D296 W297 G298	K272-A294 VanDerWaalsContact C-CB 3.46Å; K272-A294 WeakPolarHBondContact O-CB 3.32Å; V274-A294 HydrophobicContact CG2-CB 4.1Å; V274-A294 WeakPolarHBondContact CG2-O 3.33Å; A288-A294 HydrophobicContact CB-CB 3.99Å; S290-A294 PolarHBondContact O-N 3.36Å; S291-A294 PolarHBondContact O-N 3.08Å; A294-D296 VanDerWaalsContact C-N 3.3Å; A294-D296 PolarHBondContact O-N 3.43Å; A294-W297 PolarHBondContact O-N 2.92Å; A294-G298 PolarHBondContact O-N 3.26Å
295	L	73.3	Confident	76.9	Confident	62 Å²	62	48.2 Å²	48.2	33%	0.325	23%	0.229	S	C	.	.	H	α-helix	trans	-57.2	-42.9	173.3	-74.7	163.7	0	0	0	111.8	V265 S291 W292 G298 Q299	V265-L295 HydrophobicContact CB-CD2 4.39Å; V265-L295 HydrophobicContact CG1-CD2 3.95Å; V265-L295 HydrophobicContact CG2-CD2 4.38Å; S291-L295 WeakPolarHBondContact O-CG 3.49Å; S291-L295 PolarHBondContact O-N 2.98Å; W292-L295 HydrophobicContact CE3-CD1 4.38Å; W292-L295 PolarHBondContact O-N 3.07Å; L295-G298 PolarHBondContact O-N 3.4Å; L295-Q299 WeakPolarHBondContact O-CB 3.45Å; L295-Q299 PolarHBondContact O-N 2.82Å
296	D	76.8	Confident	76.2	Confident	49 Å²	49	53.1 Å²	53.1	26%	0.262	25%	0.247	S	C	.	.	H	α-helix	trans	-65.3	-42.9	179.7	-163.1	69.3	0	0	0	112.8	K212 W292 E293 A294 K300	K212-D296 WeakPolarHBondContact CD-OD2 3.44Å; K212-D296 VanDerWaalsContact CE-OD2 3.3Å; K212-D296 WeakPolarHBondContact CE-OD2 3.39Å; K212-D296 IonicContact NZ-OD2 2.7Å; K212-D296 PolarHBondContact NZ-OD2 3.18Å; W292-D296 WeakPolarHBondContact O-CB 3.4Å; W292-D296 PolarHBondContact O-N 3.31Å; E293-D296 PolarHBondContact O-N 3.23Å; A294-D296 VanDerWaalsContact C-N 3.3Å; A294-D296 PolarHBondContact O-N 3.43Å; D296-K300 WeakPolarHBondContact O-CD 3.42Å; D296-K300 PolarHBondContact O-N 3.49Å; D296-K300 VanDerWaalsContact O-N 3.12Å; D296-K300 IonicContact OD1-NZ 3.3Å; D296-K300 PolarHBondContact OD1-NZ 3.23Å; D296-K300 IonicContact OD2-NZ 2.76Å; D296-K300 PolarHBondContact OD2-NZ 3.05Å
297	W	80.1	Confident	75.5	Confident	1 Å²	1	57 Å²	57	0%	0.004	28%	0.279	C	S	.	.	H	α-helix	trans	-63	-45.3	172.1	-82.5	109.9	0	0	0	112	K212 L216 A231 L233 L238 E293 A294 Q299 K300 L301	K212-W297 HydrophobicContact CB-CE3 4.42Å; K212-W297 HydrophobicContact CB-CH2 4.34Å; K212-W297 HydrophobicContact CB-CZ3 4.12Å; K212-W297 HydrophobicContact CD-CD2 3.59Å; K212-W297 HydrophobicContact CD-CE3 3.78Å; K212-W297 HydrophobicContact CD-CG 3.99Å; K212-W297 HydrophobicContact CD-CH2 4.47Å; K212-W297 HydrophobicContact CD-CZ2 4.31Å; K212-W297 HydrophobicContact CD-CZ3 4.23Å; K212-W297 VanDerWaalsContact CE-NE1 3.26Å; K212-W297 HydrophobicContact CG-CD2 4.19Å; K212-W297 HydrophobicContact CG-CE3 4.15Å; K212-W297 HydrophobicContact CG-CH2 4.02Å; K212-W297 HydrophobicContact CG-CZ2 4.04Å; K212-W297 HydrophobicContact CG-CZ3 4.07Å; L216-W297 HydrophobicContact CD1-CD2 4.08Å; L216-W297 HydrophobicContact CD1-CG 4.43Å; L216-W297 HydrophobicContact CD1-CZ2 4.12Å; L216-W297 HydrophobicContact CD2-CG 4.45Å; L216-W297 HydrophobicContact CG-CZ2 4.38Å; A231-W297 HydrophobicContact CB-CH2 3.59Å; A231-W297 HydrophobicContact CB-CZ2 3.95Å; A231-W297 HydrophobicContact CB-CZ3 4.27Å; L233-W297 HydrophobicContact CB-CZ3 3.96Å; L238-W297 HydrophobicContact CD1-CZ3 4.35Å; E293-W297 VanDerWaalsContact O-CD1 3.23Å; E293-W297 PolarHBondContact O-N 2.94Å; A294-W297 PolarHBondContact O-N 2.92Å; W297-Q299 PolarHBondContact O-N 2.7Å; W297-K300 PolarHBondContact O-N 3.19Å; W297-L301 WeakPolarHBondContact O-CB 3.18Å; W297-L301 WeakPolarHBondContact O-CG 3.43Å; W297-L301 PolarHBondContact O-N 3.2Å
298	G	77.4	Confident	74.3	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.1	-43.6	179.2	0	0	0	0	0	112.8	A294 L295 W302	A294-G298 PolarHBondContact O-N 3.26Å; L295-G298 PolarHBondContact O-N 3.4Å; G298-W302 WeakPolarHBondContact O-CB 3.25Å; G298-W302 PolarHBondContact O-N 2.82Å
299	Q	74.5	Confident	72.9	Confident	73 Å²	73	59 Å²	59	34%	0.341	30%	0.296	S	S	.	.	H	α-helix	trans	-63.2	-51.9	175.8	-177.9	179.4	-13.3	0	0	111.5	L295 W297 L301 W302 E303	L295-Q299 WeakPolarHBondContact O-CB 3.45Å; L295-Q299 PolarHBondContact O-N 2.82Å; W297-Q299 PolarHBondContact O-N 2.7Å; Q299-L301 VanDerWaalsContact C-N 3.32Å; Q299-L301 PolarHBondContact O-N 3Å; Q299-W302 PolarHBondContact O-N 3.25Å; Q299-E303 HydrophobicContact CG-CG 4.36Å; Q299-E303 WeakPolarHBondContact CG-OE1 3.32Å; Q299-E303 PolarHBondContact NE2-OE1 3.06Å; Q299-E303 WeakPolarHBondContact O-CG 3.37Å; Q299-E303 PolarHBondContact O-N 3.17Å
300	K	78.3	Confident	71.2	Confident	61 Å²	61	55.2 Å²	55.2	27%	0.265	29%	0.285	S	S	.	.	H	α-helix	trans	-59.2	-42.2	179.9	-90.6	85.6	179.4	-164.1	0	112.1	K212 L233 D296 W297 V304	K212-K300 HydrophobicContact CD-CD 4.33Å; L233-K300 HydrophobicContact CD2-CB 3.83Å; D296-K300 WeakPolarHBondContact O-CD 3.42Å; D296-K300 PolarHBondContact O-N 3.49Å; D296-K300 VanDerWaalsContact O-N 3.12Å; D296-K300 IonicContact OD1-NZ 3.3Å; D296-K300 PolarHBondContact OD1-NZ 3.23Å; D296-K300 IonicContact OD2-NZ 2.76Å; D296-K300 PolarHBondContact OD2-NZ 3.05Å; W297-K300 PolarHBondContact O-N 3.19Å; K300-V304 VanDerWaalsContact O-CG2 3.24Å; K300-V304 WeakPolarHBondContact O-CG2 3.39Å; K300-V304 PolarHBondContact O-N 2.64Å
301	L	78.1	Confident	69.4	Low	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-61.3	-48.4	175.7	-80.8	163.4	0	0	0	111.5	L233 L238 L257 V263 L286 W297 Q299 E303 V304 V305	L233-L301 HydrophobicContact CD1-CD2 3.74Å; L233-L301 HydrophobicContact CD2-CD2 4.35Å; L233-L301 HydrophobicContact CD2-CG 4.35Å; L238-L301 HydrophobicContact CD2-CD2 4.21Å; L257-L301 HydrophobicContact CD2-CD2 3.86Å; V263-L301 HydrophobicContact CG2-CB 4.47Å; L286-L301 HydrophobicContact CD1-CD1 3.68Å; W297-L301 WeakPolarHBondContact O-CB 3.18Å; W297-L301 WeakPolarHBondContact O-CG 3.43Å; W297-L301 PolarHBondContact O-N 3.2Å; Q299-L301 VanDerWaalsContact C-N 3.32Å; Q299-L301 PolarHBondContact O-N 3Å; L301-E303 PolarHBondContact O-N 3.27Å; L301-V304 PolarHBondContact O-N 3.45Å; L301-V305 WeakPolarHBondContact O-CB 3.48Å; L301-V305 WeakPolarHBondContact O-CG2 3.19Å; L301-V305 PolarHBondContact O-N 3.26Å
302	W	74.9	Confident	67.6	Low	52 Å²	52	65.2 Å²	65.2	20%	0.197	33%	0.328	C	S	.	.	H	α-helix	trans	-62.4	-41.8	-179.2	-175.3	97.8	0	0	0	113	W162 V263 G298 Q299 R306	W162-W302 HydrophobicContact CB-CD2 4.42Å; W162-W302 HydrophobicContact CB-CH2 4.05Å; W162-W302 HydrophobicContact CB-CZ2 3.34Å; W162-W302 HydrophobicContact CG-CZ2 4.27Å; V263-W302 HydrophobicContact CB-CB 4.35Å; V263-W302 HydrophobicContact CG1-CB 4.45Å; G298-W302 WeakPolarHBondContact O-CB 3.25Å; G298-W302 PolarHBondContact O-N 2.82Å; Q299-W302 PolarHBondContact O-N 3.25Å; W302-R306 HydrophobicContact CD2-CG 4.35Å; W302-R306 VanDerWaalsContact CE2-CD 3.43Å; W302-R306 WeakPolarHBondContact O-CB 3.14Å; W302-R306 WeakPolarHBondContact O-CG 3.37Å; W302-R306 PolarHBondContact O-N 3.5Å
303	E	72.8	Confident	65.8	Low	90 Å²	90	61 Å²	61	42%	0.421	32%	0.318	S	S	.	.	H	α-helix	trans	-61.3	-46	177.6	-74.4	174.5	-179.9	0	0	112	Q299 L301 R306 A307	Q299-E303 HydrophobicContact CG-CG 4.36Å; Q299-E303 WeakPolarHBondContact CG-OE1 3.32Å; Q299-E303 PolarHBondContact NE2-OE1 3.06Å; Q299-E303 WeakPolarHBondContact O-CG 3.37Å; Q299-E303 PolarHBondContact O-N 3.17Å; L301-E303 PolarHBondContact O-N 3.27Å; E303-R306 PolarHBondContact O-N 3.05Å; E303-A307 PolarHBondContact O-N 3.34Å
304	V	74.9	Confident	63.7	Low	17 Å²	17	66.8 Å²	66.8	10%	0.103	34%	0.338	C	S	.	.	H	α-helix	trans	-73.4	-42.2	-177.3	-176.4	0	0	0	0	111.6	L211 P235 L257 K300 L301 R306 A307 S308	L211-V304 HydrophobicContact CD1-CG1 4.37Å; L211-V304 HydrophobicContact CD1-CG2 3.36Å; P235-V304 WeakPolarHBondContact O-CG1 3.26Å; L257-V304 HydrophobicContact CD1-CB 4.07Å; L257-V304 HydrophobicContact CD1-CG1 3.33Å; K300-V304 VanDerWaalsContact O-CG2 3.24Å; K300-V304 WeakPolarHBondContact O-CG2 3.39Å; K300-V304 PolarHBondContact O-N 2.64Å; L301-V304 PolarHBondContact O-N 3.45Å; V304-R306 VanDerWaalsContact C-N 3.28Å; V304-R306 PolarHBondContact O-N 3.38Å; V304-A307 WeakPolarHBondContact O-CA 3.26Å; V304-A307 WeakPolarHBondContact O-CB 3.45Å; V304-A307 PolarHBondContact O-N 3.4Å; V304-S308 PolarHBondContact O-N 3.23Å
305	V	73.6	Confident	61.6	Low	15 Å²	15	74.9 Å²	74.9	9%	0.091	38%	0.376	C	S	.	.	H	α-helix	trans	-58.4	-41.4	173.9	170.2	0	0	0	0	110.8	L257 F260 L301 A307 S308	L257-V305 HydrophobicContact CB-CG2 4.12Å; L257-V305 HydrophobicContact CD2-CG2 4.2Å; F260-V305 HydrophobicContact CB-CG1 4Å; F260-V305 HydrophobicContact CB-CG2 3.65Å; F260-V305 HydrophobicContact CG-CG2 4.17Å; F260-V305 VanDerWaalsContact O-CG1 3.23Å; F260-V305 WeakPolarHBondContact O-CG1 3.41Å; L301-V305 WeakPolarHBondContact O-CB 3.48Å; L301-V305 WeakPolarHBondContact O-CG2 3.19Å; L301-V305 PolarHBondContact O-N 3.26Å; V305-A307 VanDerWaalsContact C-N 3.31Å; V305-A307 PolarHBondContact O-N 3.33Å; V305-S308 PolarHBondContact O-N 3.43Å; V305-S308 PolarHBondContact O-OG 2.91Å
306	R	66.3	Low	59.7	Low	128 Å²	128	79 Å²	79	48%	0.483	39%	0.394	S	S	.	.	H	α-helix	trans	-70.6	-23.3	174.8	-75.5	-170.6	65.6	149.1	5.1	114.2	W302 E303 V304	W302-R306 HydrophobicContact CD2-CG 4.35Å; W302-R306 VanDerWaalsContact CE2-CD 3.43Å; W302-R306 WeakPolarHBondContact O-CB 3.14Å; W302-R306 WeakPolarHBondContact O-CG 3.37Å; W302-R306 PolarHBondContact O-N 3.5Å; E303-R306 PolarHBondContact O-N 3.05Å; V304-R306 VanDerWaalsContact C-N 3.28Å; V304-R306 PolarHBondContact O-N 3.38Å
307	A	65.6	Low	57.5	Low	83 Å²	83	85.6 Å²	85.6	69%	0.686	42%	0.423	S	S	*	.	H	α-helix	trans	-78.6	-27.4	173.6	0	0	0	0	0	112.6	E303 V304 V305	E303-A307 PolarHBondContact O-N 3.34Å; V304-A307 WeakPolarHBondContact O-CA 3.26Å; V304-A307 WeakPolarHBondContact O-CB 3.45Å; V304-A307 PolarHBondContact O-N 3.4Å; V305-A307 VanDerWaalsContact C-N 3.31Å; V305-A307 PolarHBondContact O-N 3.33Å
308	S	57.3	Low	55.2	Low	24 Å²	24	94.3 Å²	94.3	17%	0.168	46%	0.461	C	S	.	.	H	α-helix	trans	-80.8	-19.9	-178.1	65	0	0	0	0	114.7	V304 V305 P310	V304-S308 PolarHBondContact O-N 3.23Å; V305-S308 PolarHBondContact O-N 3.43Å; V305-S308 PolarHBondContact O-OG 2.91Å; S308-P310 VanDerWaalsContact O-CD 3.3Å; S308-P310 WeakPolarHBondContact O-CD 3.43Å
309	V	53.8	Low	53	Low	79 Å²	79	101.9 Å²	101.9	48%	0.479	50%	0.5	S	S	.	.	S	Bend	trans	-70.1	119.1	-179.9	179.2	0	0	0	0	111.8
310	P	39.8	Very low	50.9	Low	84 Å²	84	106.9 Å²	106.9	55%	0.545	52%	0.524	S	S	.	.			trans	-63.7	142.3	-178	-24.3	35.5	0	0	0	114.2	S308 F312 M313	S308-P310 VanDerWaalsContact O-CD 3.3Å; S308-P310 WeakPolarHBondContact O-CD 3.43Å; P310-F312 PolarHBondContact O-N 3.43Å; P310-M313 PolarHBondContact O-N 3.04Å
311	T	35.9	Very low	48.5	Very low	117 Å²	117	111.7 Å²	111.7	72%	0.718	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-57.7	-16.7	-171.5	-37.4	0	0	0	0	115.4	M313 R314	T311-M313 PolarHBondContact O-N 3.47Å; T311-R314 PolarHBondContact O-N 3.37Å
312	F	35.6	Very low	46.2	Very low	180 Å²	180	118.4 Å²	118.4	79%	0.789	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-67.3	-33.5	-177.4	-164.9	-106.2	0	0	0	113.7	P310 R314	P310-F312 PolarHBondContact O-N 3.43Å; F312-R314 VanDerWaalsContact C-N 3.33Å; F312-R314 PolarHBondContact O-N 3.1Å
313	M	34.7	Very low	44.1	Very low	119 Å²	119	121.4 Å²	121.4	59%	0.586	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-75.5	-19.2	179.3	-78.2	-67.3	172.2	0	0	113.7	P310 T311 Q315 Q316	P310-M313 PolarHBondContact O-N 3.04Å; T311-M313 PolarHBondContact O-N 3.47Å; M313-Q315 PolarHBondContact O-N 3.3Å; M313-Q316 PolarHBondContact O-N 2.94Å; M313-Q316 VanDerWaalsContact O-N 3.14Å
314	R	37.4	Very low	42	Very low	167 Å²	167	126.4 Å²	126.4	63%	0.63	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-68.1	-7.6	-173.2	-165.5	173.1	-69.3	-171.4	2.6	114.4	T311 F312	T311-R314 PolarHBondContact O-N 3.37Å; F312-R314 VanDerWaalsContact C-N 3.33Å; F312-R314 PolarHBondContact O-N 3.1Å
315	Q	32.8	Very low	39.8	Very low	171 Å²	171	131.2 Å²	131.2	80%	0.799	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-93.3	-16	175.1	-76.2	-174	-27.6	0	0	114.2	M313	M313-Q315 PolarHBondContact O-N 3.3Å
316	Q	32.8	Very low	37.5	Very low	149 Å²	149	137.7 Å²	137.7	70%	0.696	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-87.2	-29.4	-170.8	-157.9	157.2	-2.7	0	0	113.6	M313 K318	M313-Q316 PolarHBondContact O-N 2.94Å; M313-Q316 VanDerWaalsContact O-N 3.14Å; Q316-K318 PolarHBondContact O-N 2.83Å
317	E	31.5	Very low	35.7	Very low	187 Å²	187	138.2 Å²	138.2	87%	0.874	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-80.2	3.5	175.1	-63.9	-177.4	138.8	0	0	114.1
318	K	30.8	Very low	33.9	Very low	184 Å²	184	140.1 Å²	140.1	80%	0.8	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-106.8	23.1	-179.2	-144.5	-178.2	-177.5	-178.2	0	114.3	Q316	Q316-K318 PolarHBondContact O-N 2.83Å
319	L	31.7	Very low	32.4	Very low	159 Å²	159	146.3 Å²	146.3	83%	0.832	75%	0.747	S	S	*	*	S	Bend	trans	-134.1	14.6	176.8	-145.3	75.9	0	0	0	115.1
320	E	29.9	Very low	31.1	Very low	178 Å²	178	147.1 Å²	147.1	83%	0.832	76%	0.762	S	S	*	*			trans	-115.2	72.5	169.2	-68.9	-158.3	143.8	0	0	111.6
321	N	29	Very low	30.4	Very low	163 Å²	163	150.9 Å²	150.9	87%	0.872	78%	0.777	S	S	*	*			trans	-171.6	87.1	157.8	-107.6	-63.3	0	0	0	111.7
322	V	29.6	Very low	30.3	Very low	140 Å²	140	150.3 Å²	150.3	85%	0.848	78%	0.776	S	S	*	*	S	Bend	trans	-176.1	149.3	151.2	135.8	0	0	0	0	108.4
323	P	31.5	Very low	29.9	Very low	115 Å²	115	150 Å²	150	75%	0.747	78%	0.776	S	S	*	*			trans	-83.8	164.5	-158.6	-14.6	32.2	0	0	0	116.7
324	K	28.4	Very low	29.3	Very low	196 Å²	196	151.1 Å²	151.1	85%	0.852	79%	0.79	S	S	*	*			trans	-68.3	149	168.6	-58.6	180	-179.1	-179.4	0	112.4
325	P	28.9	Very low	28.7	Very low	118 Å²	118	151.2 Å²	151.2	77%	0.766	80%	0.803	S	S	*	*			trans	-111.8	174.4	136.6	36.5	-29.6	0	0	0	111.3
326	D	25	Very low	28.2	Very low	150 Å²	150	146.9 Å²	146.9	80%	0.802	81%	0.805	S	S	*	*			trans	-95.2	178.1	-163.9	-60.1	-72.2	0	0	0	116.3
327	D	27.1	Very low	27.9	Very low	139 Å²	139	148.4 Å²	148.4	74%	0.743	82%	0.817	S	S	*	*			trans	84.2	112.7	150.5	-91.3	2.9	0	0	0	123
328	N	27.9	Very low	27.5	Very low	124 Å²	124	147.6 Å²	147.6	66%	0.663	82%	0.817	S	S	*	*			trans	83.7	135.1	132.7	-71.5	-51.1	0	0	0	123.5
329	N	27.1	Very low	27.1	Very low	153 Å²	153	147.3 Å²	147.3	82%	0.818	82%	0.819	S	S	*	*			trans	87.8	128	150.9	-66.1	-36.3	0	0	0	123.1
330	A	25.2	Very low	27	Very low	96 Å²	96	148.9 Å²	148.9	79%	0.793	82%	0.819	S	S	*	*			trans	74.3	94.2	139.8	0	0	0	0	0	121.7
331	L	25.7	Very low	26.6	Very low	163 Å²	163	146.3 Å²	146.3	85%	0.853	82%	0.818	S	S	*	*			trans	-55.7	159.8	130.8	-83.5	152.1	0	0	0	110.5
332	P	34.9	Very low	26.4	Very low	106 Å²	106	145.4 Å²	145.4	69%	0.688	81%	0.81	S	S	*	*			cis	-148.6	166.5	39.1	42.4	-22.3	0	0	0	119.8
333	Q	25.8	Very low	26.2	Very low	172 Å²	172	146.5 Å²	146.5	80%	0.804	81%	0.806	S	S	*	*			trans	35.2	130.4	138.8	-60.1	172.2	0.3	0	0	122
334	T	22.8	Very low	25.8	Very low	143 Å²	143	148.3 Å²	148.3	88%	0.877	81%	0.808	S	S	*	*				-162.4	166.5	124	5.9	0	0	0	0	112.1
335	N	25.2	Very low	25.5	Very low	170 Å²	170	148.3 Å²	148.3	91%	0.909	81%	0.809	S	S	*	*			trans	-94.9	154.3	-170	-56.6	-51.4	0	0	0	113.6
336	G	21.1	Very low	25.3	Very low	80 Å²	80	150.2 Å²	150.2	83%	0.825	81%	0.811	S	S	*	*			trans	-170.8	128.2	167.2	0	0	0	0	0	113.8
337	L	26.7	Very low	25.3	Very low	181 Å²	181	147.2 Å²	147.2	95%	0.948	80%	0.803	S	S	*	*			trans	-88.7	147.3	174.5	-73.1	152.9	0	0	0	111.1
338	L	23.8	Very low	24.9	Very low	169 Å²	169	149.4 Å²	149.4	89%	0.885	81%	0.811	S	S	*	*			trans	-153.8	156.4	142	-159.8	52.6	0	0	0	112.5
339	E	22.8	Very low	25	Very low	178 Å²	178	149.9 Å²	149.9	83%	0.832	81%	0.813	S	S	*	*			trans	-94.1	175	-172.4	-58.7	176	109.9	0	0	113.6
340	K	27.9	Very low	24.8	Very low	193 Å²	193	151.3 Å²	151.3	84%	0.839	82%	0.82	S	S	*	*			trans	-74.4	151.8	166.9	-69.7	-178.8	176.2	179.6	0	111.1
341	P	22.8	Very low	25	Very low	124 Å²	124	152 Å²	152	81%	0.805	81%	0.814	S	S	*	*				-120.3	139.8	106.4	0	19.7	0	0	0	110.3
342	M	23.4	Very low	24.9	Very low	143 Å²	143	153.7 Å²	153.7	70%	0.704	82%	0.818	S	S	*	*			cis	89.1	113.9	31.7	-165.2	164.4	179.7	0	0	114.4
343	E	26.6	Very low	24.6	Very low	163 Å²	163	155.6 Å²	155.6	76%	0.762	82%	0.822	S	S	*	*			trans	56.6	110.9	157.5	-70.2	175.8	179.9	0	0	121
344	L	21.9	Very low	24.8	Very low	154 Å²	154	152.6 Å²	152.6	81%	0.806	82%	0.817	S	S	*	*				179.9	121	121	-88.6	169	0	0	0	104.4
345	F	23	Very low	25.4	Very low	196 Å²	196	152 Å²	152	86%	0.86	80%	0.803	S	S	*	*			cis	-138.6	142.7	41.3	-76.2	-100.1	0	0	0	114.3
346	L	25.2	Very low	25.9	Very low	157 Å²	157	150.7 Å²	150.7	82%	0.822	79%	0.791	S	S	*	*			trans	-91	154.7	137.8	-71.5	169.5	0	0	0	106.8
347	S	24.3	Very low	27	Very low	88 Å²	88	149.8 Å²	149.8	62%	0.615	76%	0.763	S	S	*	*			cis	-176.2	150.9	-7	46.5	0	0	0	0	107.9
348	M	19.8	Very low	27.8	Very low	185 Å²	185	147.2 Å²	147.2	91%	0.911	75%	0.746	S	S	*	*			trans	-142.3	125.4	148.9	-79.4	-138.7	74.3	0	0	109.5
349	N	29.2	Very low	29.3	Very low	134 Å²	134	143.4 Å²	143.4	72%	0.717	73%	0.727	S	S	*	*			trans	-91.5	141.2	173.2	-62.5	-7.1	0	0	0	109.3
350	L	22.9	Very low	31.5	Very low	183 Å²	183	139.1 Å²	139.1	96%	0.958	71%	0.709	S	S	*	*			trans	-120.8	148	144.9	-95.9	165.3	0	0	0	107.6
351	T	28.3	Very low	33.5	Very low	111 Å²	111	133.9 Å²	133.9	68%	0.681	69%	0.689	S	S	*	*			trans	-127.9	117.9	-158.4	-54.2	0	0	0	0	110.3
352	E	25.4	Very low	36	Very low	197 Å²	197	130.1 Å²	130.1	92%	0.921	66%	0.661	S	S	*	*			trans	-153.4	146.3	155.2	-111.8	153.6	-137	0	0	108.3
353	N	26.9	Very low	38.9	Very low	147 Å²	147	126.9 Å²	126.9	79%	0.786	65%	0.652	S	S	*	*			trans	-149.6	90.5	-154.6	-174.3	29.9	0	0	0	112.3
354	P	30.6	Very low	41.4	Very low	108 Å²	108	120.3 Å²	120.3	70%	0.701	63%	0.628	S	S	*	*			trans	-67	144.8	170.9	-16.1	31.1	0	0	0	111.3	E356	P354-E356 VanDerWaalsContact C-N 3.3Å; P354-E356 PolarHBondContact O-N 2.95Å
355	K	35.6	Very low	44.4	Very low	131 Å²	131	115.8 Å²	115.8	57%	0.57	61%	0.607	S	S	*	*			trans	-75	73.7	179.1	-68	178.7	-177.4	170	0	112	Y357 D398	K355-Y357 PolarHBondContact O-N 3.47Å; K355-D398 IonicContact NZ-OD1 2.71Å; K355-D398 PolarHBondContact NZ-OD1 2.7Å; K355-D398 IonicContact NZ-OD2 2.87Å; K355-D398 PolarHBondContact NZ-OD2 3.44Å
356	E	35.4	Very low	47.3	Very low	142 Å²	142	106.6 Å²	106.6	66%	0.664	57%	0.566	S	S	*	*			trans	-66.3	119.1	167.6	-72.7	-165.4	150.1	0	0	111.3	P354 Q358	P354-E356 VanDerWaalsContact C-N 3.3Å; P354-E356 PolarHBondContact O-N 2.95Å; E356-Q358 HydrophobicContact CB-CG 3.77Å; E356-Q358 PolarHBondContact O-N 3.42Å; E356-Q358 PolarHBondContact OE2-NE2 3.33Å
357	Y	45.3	Very low	50	Low	61 Å²	61	103 Å²	103	24%	0.239	54%	0.542	C	S	.	.			trans	-76.4	56.6	170.9	-63.7	-72.6	0	0	0	111.9	K355 N359 I360 N383 M388 F390	K355-Y357 PolarHBondContact O-N 3.47Å; Y357-N359 PolarHBondContact O-N 2.99Å; Y357-I360 WeakPolarHBondContact O-CG1 3.37Å; Y357-N383 PolarHBondContact O-ND2 3.22Å; Y357-M388 HydrophobicContact CD1-CE 3.66Å; Y357-M388 HydrophobicContact CD1-SD 3.95Å; Y357-M388 HydrophobicContact CE1-CE 4.08Å; Y357-M388 HydrophobicContact CE1-SD 3.8Å; Y357-M388 HydrophobicContact CG-CE 4.33Å; Y357-F390 HydrophobicContact CE1-CZ 4.16Å; Y357-F390 HydrophobicContact CE2-CE1 4.27Å; Y357-F390 AromaticContact CE2-CZ 3.94Å; Y357-F390 HydrophobicContact CE2-CZ 3.94Å; Y357-F390 AromaticContact CZ-CE1 3.96Å; Y357-F390 AromaticContact CZ-CZ 3.63Å; Y357-F390 WeakPolarHBondContact OH-CE1 3.47Å
358	Q	42.6	Very low	52.9	Low	127 Å²	127	100.7 Å²	100.7	59%	0.593	52%	0.52	S	S	*	.			trans	-52.8	134.5	-173.6	-62.7	-175.4	-11.9	0	0	112.8	E356 N383	E356-Q358 HydrophobicContact CB-CG 3.77Å; E356-Q358 PolarHBondContact O-N 3.42Å; E356-Q358 PolarHBondContact OE2-NE2 3.33Å; Q358-N383 PolarHBondContact O-ND2 3.4Å; Q358-N383 PolarHBondContact O-OD1 3.19Å
359	N	55.3	Low	55.8	Low	90 Å²	90	93.1 Å²	93.1	48%	0.481	48%	0.484	S	S	.	.	S	Bend	trans	74.8	40	-176.5	-55.1	-88.3	0	0	0	117.3	Y357 L361 N383 R384	Y357-N359 PolarHBondContact O-N 2.99Å; N359-L361 PolarHBondContact O-N 3.42Å; N359-N383 PolarHBondContact O-OD1 3.28Å; N359-N383 VanDerWaalsContact O-OD1 3.08Å; N359-R384 HydrophobicContact CB-CG 4.28Å
360	I	69.7	Low	57.7	Low	87 Å²	87	88.3 Å²	88.3	45%	0.446	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55	127.6	164.1	-56	-179.8	0	0	0	110.1	Y357 V381	Y357-I360 WeakPolarHBondContact O-CG1 3.37Å; I360-V381 HydrophobicContact CB-CG1 4.43Å; I360-V381 HydrophobicContact CD1-CG1 3.81Å; I360-V381 HydrophobicContact CG1-CG1 3.83Å; I360-V381 HydrophobicContact CG2-CG1 3.86Å
361	L	68.8	Low	59.6	Low	83 Å²	83	88.6 Å²	88.6	44%	0.435	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-36.9	174.3	-65.6	-179.5	0	0	0	112.5	N359 L382 R384 A452	N359-L361 PolarHBondContact O-N 3.42Å; L361-L382 HydrophobicContact CB-CG 4.39Å; L361-L382 PolarHBondContact N-O 3.26Å; L361-R384 HydrophobicContact CD1-CB 4.47Å; L361-R384 HydrophobicContact CD1-CG 3.94Å; L361-R384 HydrophobicContact CD2-CG 3.84Å; L361-R384 HydrophobicContact CG-CG 3.91Å; L361-A452 HydrophobicContact CD1-CB 3.95Å
362	K	77	Confident	61.2	Low	46 Å²	46	90.2 Å²	90.2	20%	0.2	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	140.3	178	-162.1	174.8	-178.7	71.1	0	110	L382 E444 W445 A448	K362-L382 HydrophobicContact CB-CB 4.47Å; K362-L382 PolarHBondContact N-O 3.38Å; K362-L382 PolarHBondContact O-N 3.42Å; K362-E444 IonicContact NZ-OE2 3.45Å; K362-E444 PolarHBondContact NZ-OE2 3.29Å; K362-W445 HydrophobicContact CB-CH2 4.23Å; K362-W445 HydrophobicContact CB-CZ3 4.18Å; K362-W445 HydrophobicContact CD-CD2 3.73Å; K362-W445 HydrophobicContact CD-CE3 3.93Å; K362-W445 HydrophobicContact CD-CG 4.17Å; K362-W445 HydrophobicContact CD-CH2 4.46Å; K362-W445 HydrophobicContact CD-CZ2 4.28Å; K362-W445 HydrophobicContact CD-CZ3 4.29Å; K362-W445 HydrophobicContact CG-CD2 4.36Å; K362-W445 HydrophobicContact CG-CE3 4.39Å; K362-W445 HydrophobicContact CG-CH2 4.07Å; K362-W445 HydrophobicContact CG-CZ2 4.02Å; K362-W445 HydrophobicContact CG-CZ3 4.26Å; K362-A448 HydrophobicContact CD-CB 3.93Å
363	S	82.4	Confident	63.2	Low	75 Å²	75	86.8 Å²	86.8	52%	0.524	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	158.9	172.4	56.3	0	0	0	0	110.8	F380	S363-F380 CarbonylContact C-O 3.49Å; S363-F380 VanDerWaalsContact CA-O 3.27Å; S363-F380 WeakPolarHBondContact CA-O 3.21Å
364	G	80.4	Confident	65.4	Low	25 Å²	25	83.8 Å²	83.8	26%	0.258	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	152.6	170.5	177	0	0	0	0	0	113.9	F380	G364-F380 PolarHBondContact N-O 3.37Å; G364-F380 PolarHBondContact O-N 2.86Å
365	T	83.5	Confident	67.7	Low	59 Å²	59	82.2 Å²	82.2	36%	0.362	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	132.5	-178.8	-51.3	0	0	0	0	111.4	A377 F378	T365-A377 HydrophobicContact CG2-CB 4.05Å; T365-F378 WeakPolarHBondContact CA-O 3.48Å
366	L	84.6	Confident	69.8	Low	2 Å²	2	81.2 Å²	81.2	1%	0.01	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	153.1	167.1	-63.3	171.7	0	0	0	109.4	F378 F380 F423 L434 A436 W445	L366-F378 PolarHBondContact N-O 2.99Å; L366-F378 PolarHBondContact O-N 3.13Å; L366-F378 VanDerWaalsContact O-O 3.04Å; L366-F380 HydrophobicContact CB-CD2 3.67Å; L366-F380 HydrophobicContact CB-CE2 3.98Å; L366-F380 HydrophobicContact CD1-CB 4.27Å; L366-F380 HydrophobicContact CD1-CD2 4.12Å; L366-F380 HydrophobicContact CD1-CG 4.21Å; L366-F380 HydrophobicContact CG-CD2 4.27Å; L366-F423 HydrophobicContact CD1-CZ 4Å; L366-F423 HydrophobicContact CD2-CE1 4.44Å; L366-F423 HydrophobicContact CD2-CZ 4.48Å; L366-L434 HydrophobicContact CD1-CD1 4.03Å; L366-A436 HydrophobicContact CD2-CB 3.74Å; L366-W445 HydrophobicContact CD1-CD2 3.88Å; L366-W445 HydrophobicContact CD1-CE3 4.22Å; L366-W445 HydrophobicContact CD1-CG 4.14Å; L366-W445 HydrophobicContact CD1-CZ2 4.4Å; L366-W445 HydrophobicContact CD2-CG 4.31Å
367	Y	83.1	Confident	71.9	Confident	81 Å²	81	76 Å²	76	32%	0.318	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	126.3	176	-58.2	-97	0	0	0	108.9	W375 K376 A377 L434 R435 E437	Y367-W375 VanDerWaalsContact O-CZ3 3.28Å; Y367-W375 WeakPolarHBondContact O-CZ3 3.42Å; Y367-K376 CarbonylContact C-O 3.58Å; Y367-K376 VanDerWaalsContact CA-O 3.27Å; Y367-K376 WeakPolarHBondContact CA-O 3.22Å; Y367-A377 HydrophobicContact CD1-CB 3.9Å; Y367-A377 HydrophobicContact CE1-CB 3.74Å; Y367-L434 CarbonylContact O-C 3.04Å; Y367-L434 VanDerWaalsContact O-CA 3.3Å; Y367-L434 WeakPolarHBondContact O-CA 3.35Å; Y367-R435 PolarHBondContact N-O 3Å; Y367-R435 PolarHBondContact O-N 3.45Å; Y367-E437 HydrophobicContact CE2-CG 4.21Å
368	R	84.2	Confident	73.7	Confident	41 Å²	41	74.8 Å²	74.8	16%	0.155	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	137	170.4	-171	-167.6	173.2	156.3	14.4	109.8	W375 K376 F378 Y403 D430 L432 L434	R368-W375 WeakPolarHBondContact O-CA 3.4Å; R368-K376 PolarHBondContact N-O 3.5Å; R368-K376 PolarHBondContact O-N 2.88Å; R368-F378 HydrophobicContact CB-CD2 3.86Å; R368-F378 HydrophobicContact CB-CE2 3.91Å; R368-Y403 PolarHBondContact NH1-OH 3.07Å; R368-D430 IonicContact CZ-OD2 3.78Å; R368-D430 IonicContact NH1-OD2 3.64Å; R368-D430 IonicContact NH2-OD1 2.69Å; R368-D430 PolarHBondContact NH2-OD1 3.08Å; R368-D430 IonicContact NH2-OD2 3.88Å; R368-D430 PolarHBondContact NH2-OD2 3.2Å; R368-L432 HydrophobicContact CG-CD2 3.88Å; R368-L434 HydrophobicContact CB-CD2 3.87Å; R368-L434 HydrophobicContact CG-CD2 4.07Å
369	L	79.6	Confident	75.6	Confident	26 Å²	26	69.8 Å²	69.8	14%	0.136	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	124.8	167	-171.4	66.1	0	0	0	109.9	W375 R433	L369-W375 HydrophobicContact CB-CD2 4.3Å; L369-W375 HydrophobicContact CB-CE3 4.08Å; L369-W375 HydrophobicContact CB-CH2 4.07Å; L369-W375 HydrophobicContact CB-CZ2 4.27Å; L369-W375 HydrophobicContact CB-CZ3 3.95Å; L369-W375 HydrophobicContact CD1-CD2 4.12Å; L369-W375 HydrophobicContact CD1-CG 4.29Å; L369-W375 HydrophobicContact CD1-CZ2 4.36Å; L369-R433 HydrophobicContact CB-CB 4.03Å; L369-R433 HydrophobicContact CD2-CB 4.49Å; L369-R433 PolarHBondContact N-O 2.9Å; L369-R433 VanDerWaalsContact N-O 3.15Å
370	T	71.1	Confident	76.9	Confident	32 Å²	32	65.5 Å²	65.5	20%	0.196	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-91	162.8	178	62	0	0	0	0	112.1	Q372 N373 N374 K376	T370-Q372 PolarHBondContact O-N 3.48Å; T370-N373 WeakPolarHBondContact O-CA 3.34Å; T370-N373 PolarHBondContact O-N 3.42Å; T370-N374 WeakPolarHBondContact CB-O 3.47Å; T370-N374 WeakPolarHBondContact CG2-O 3.45Å; T370-N374 PolarHBondContact N-O 3.19Å; T370-N374 PolarHBondContact OG1-N 3.12Å; T370-N374 PolarHBondContact OG1-O 2.88Å; T370-K376 HydrophobicContact CG2-CB 4.23Å; T370-K376 HydrophobicContact CG2-CD 3.92Å; T370-K376 HydrophobicContact CG2-CG 3.91Å
371	L	61.2	Low	77.6	Confident	190 Å²	190	61.6 Å²	61.6	100%	0.995	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-16.2	177	-63.6	176.5	0	0	0	114.5	N373	L371-N373 VanDerWaalsContact C-N 3.26Å
372	Q	62.4	Low	78.2	Confident	145 Å²	145	57.7 Å²	57.7	68%	0.678	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	15.2	174.1	-64.9	175.4	-29.8	0	0	112.7	T370 N374	T370-Q372 PolarHBondContact O-N 3.48Å; Q372-N374 WeakPolarHBondContact CB-ND2 3.48Å; Q372-N374 PolarHBondContact O-N 3.05Å; Q372-N374 PolarHBondContact O-ND2 3.39Å
373	N	66.6	Low	78.3	Confident	125 Å²	125	56.7 Å²	56.7	67%	0.668	30%	0.297	S	S	*	.	S	Bend	trans	58.1	22.8	-173.6	-154.3	44.8	0	0	0	115.1	T370 L371	T370-N373 WeakPolarHBondContact O-CA 3.34Å; T370-N373 PolarHBondContact O-N 3.42Å; L371-N373 VanDerWaalsContact C-N 3.26Å
374	N	73.4	Confident	77.8	Confident	84 Å²	84	60.1 Å²	60.1	45%	0.449	30%	0.299	S	S	.	.			trans	-107.8	133.9	-178	-63.5	-46.9	0	0	0	110.8	T370 Q372	T370-N374 WeakPolarHBondContact CB-O 3.47Å; T370-N374 WeakPolarHBondContact CG2-O 3.45Å; T370-N374 PolarHBondContact N-O 3.19Å; T370-N374 PolarHBondContact OG1-N 3.12Å; T370-N374 PolarHBondContact OG1-O 2.88Å; Q372-N374 WeakPolarHBondContact CB-ND2 3.48Å; Q372-N374 PolarHBondContact O-N 3.05Å; Q372-N374 PolarHBondContact O-ND2 3.39Å
375	W	79.3	Confident	77.4	Confident	75 Å²	75	60.9 Å²	60.9	28%	0.284	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	129.6	172.9	-68.6	97.5	0	0	0	111	Y367 R368 L369 R435	Y367-W375 VanDerWaalsContact O-CZ3 3.28Å; Y367-W375 WeakPolarHBondContact O-CZ3 3.42Å; R368-W375 WeakPolarHBondContact O-CA 3.4Å; L369-W375 HydrophobicContact CB-CD2 4.3Å; L369-W375 HydrophobicContact CB-CE3 4.08Å; L369-W375 HydrophobicContact CB-CH2 4.07Å; L369-W375 HydrophobicContact CB-CZ2 4.27Å; L369-W375 HydrophobicContact CB-CZ3 3.95Å; L369-W375 HydrophobicContact CD1-CD2 4.12Å; L369-W375 HydrophobicContact CD1-CG 4.29Å; L369-W375 HydrophobicContact CD1-CZ2 4.36Å; W375-R435 HydrophobicContact CD2-CB 4.49Å; W375-R435 HydrophobicContact CE3-CB 3.9Å; W375-R435 HydrophobicContact CH2-CB 3.77Å; W375-R435 HydrophobicContact CZ2-CB 4.37Å; W375-R435 HydrophobicContact CZ3-CB 3.52Å
376	K	79.5	Confident	77.2	Confident	109 Å²	109	63.4 Å²	63.4	47%	0.474	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	139.4	173.5	-67.6	-168.5	-176.4	-177.4	0	111.2	Y367 R368 T370 F378	Y367-K376 CarbonylContact C-O 3.58Å; Y367-K376 VanDerWaalsContact CA-O 3.27Å; Y367-K376 WeakPolarHBondContact CA-O 3.22Å; R368-K376 PolarHBondContact N-O 3.5Å; R368-K376 PolarHBondContact O-N 2.88Å; T370-K376 HydrophobicContact CG2-CB 4.23Å; T370-K376 HydrophobicContact CG2-CD 3.92Å; T370-K376 HydrophobicContact CG2-CG 3.91Å; K376-F378 HydrophobicContact CB-CE2 3.79Å; K376-F378 HydrophobicContact CB-CZ 4.22Å; K376-F378 VanDerWaalsContact O-CD2 3.3Å; K376-F378 WeakPolarHBondContact O-CD2 3.5Å
377	A	80.4	Confident	77.1	Confident	34 Å²	34	63.4 Å²	63.4	28%	0.281	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	137.6	177.7	0	0	0	0	0	111.8	T365 Y367 P392	T365-A377 HydrophobicContact CG2-CB 4.05Å; Y367-A377 HydrophobicContact CD1-CB 3.9Å; Y367-A377 HydrophobicContact CE1-CB 3.74Å; A377-P392 HydrophobicContact CB-CG 4.11Å; A377-P392 WeakPolarHBondContact O-CD 3.42Å; A377-P392 VanDerWaalsContact O-CG 3.28Å; A377-P392 WeakPolarHBondContact O-CG 3.4Å
378	F	82.4	Confident	77.1	Confident	35 Å²	35	60.2 Å²	60.2	15%	0.154	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	147.8	171.3	-62.7	-85.9	0	0	0	109.2	T365 L366 R368 K376 F380 F390 L400	T365-F378 WeakPolarHBondContact CA-O 3.48Å; L366-F378 PolarHBondContact N-O 2.99Å; L366-F378 PolarHBondContact O-N 3.13Å; L366-F378 VanDerWaalsContact O-O 3.04Å; R368-F378 HydrophobicContact CB-CD2 3.86Å; R368-F378 HydrophobicContact CB-CE2 3.91Å; K376-F378 HydrophobicContact CB-CE2 3.79Å; K376-F378 HydrophobicContact CB-CZ 4.22Å; K376-F378 VanDerWaalsContact O-CD2 3.3Å; K376-F378 WeakPolarHBondContact O-CD2 3.5Å; F378-F380 HydrophobicContact CB-CD2 4.12Å; F378-F380 HydrophobicContact CB-CE2 3.74Å; F378-F380 PolarHBondContact O-N 3.16Å; F378-F390 WeakPolarHBondContact CA-O 3.5Å; F378-F390 WeakPolarHBondContact CB-O 3.32Å; F378-L400 HydrophobicContact CD1-CD1 4Å; F378-L400 HydrophobicContact CE1-CD1 3.82Å
379	T	82.1	Confident	77	Confident	22 Å²	22	58.2 Å²	58.2	14%	0.135	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	113.1	170	-58.5	0	0	0	0	108.1	F390 L395	T379-F390 PolarHBondContact N-O 2.87Å; T379-F390 PolarHBondContact O-N 2.68Å; T379-L395 HydrophobicContact CG2-CD2 4.01Å
380	F	83.8	Confident	77	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	143.8	175.7	-78.7	-97.7	0	0	0	110.7	S363 G364 L366 F378 L387 M388 A389 L434 W445	S363-F380 CarbonylContact C-O 3.49Å; S363-F380 VanDerWaalsContact CA-O 3.27Å; S363-F380 WeakPolarHBondContact CA-O 3.21Å; G364-F380 PolarHBondContact N-O 3.37Å; G364-F380 PolarHBondContact O-N 2.86Å; L366-F380 HydrophobicContact CB-CD2 3.67Å; L366-F380 HydrophobicContact CB-CE2 3.98Å; L366-F380 HydrophobicContact CD1-CB 4.27Å; L366-F380 HydrophobicContact CD1-CD2 4.12Å; L366-F380 HydrophobicContact CD1-CG 4.21Å; L366-F380 HydrophobicContact CG-CD2 4.27Å; F378-F380 HydrophobicContact CB-CD2 4.12Å; F378-F380 HydrophobicContact CB-CE2 3.74Å; F378-F380 PolarHBondContact O-N 3.16Å; F380-L387 HydrophobicContact CB-CD1 4.37Å; F380-L387 HydrophobicContact CD1-CD1 3.86Å; F380-L387 HydrophobicContact CD1-CD2 4.34Å; F380-L387 HydrophobicContact CD1-CG 4.03Å; F380-M388 CarbonylContact C-O 3.55Å; F380-M388 VanDerWaalsContact CA-O 3.3Å; F380-M388 WeakPolarHBondContact CA-O 3.37Å; F380-A389 HydrophobicContact CD1-CB 3.88Å; F380-A389 HydrophobicContact CE1-CB 3.57Å; F380-A389 HydrophobicContact CE2-CB 4.34Å; F380-A389 HydrophobicContact CG-CB 4.41Å; F380-A389 HydrophobicContact CZ-CB 3.82Å; F380-L434 HydrophobicContact CE1-CD1 4.25Å; F380-L434 HydrophobicContact CE1-CD2 4.26Å; F380-L434 HydrophobicContact CE2-CD2 3.81Å; F380-L434 HydrophobicContact CZ-CD1 4.24Å; F380-L434 HydrophobicContact CZ-CD2 3.49Å; F380-L434 VanDerWaalsContact CZ-CD2 3.49Å; F380-W445 HydrophobicContact CB-CH2 4.02Å; F380-W445 HydrophobicContact CB-CZ3 4.41Å
381	V	83.8	Confident	77	Confident	5 Å²	5	60.8 Å²	60.8	3%	0.03	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	114.2	174.7	-177.6	0	0	0	0	108.2	I360 M388 F390 L395	I360-V381 HydrophobicContact CB-CG1 4.43Å; I360-V381 HydrophobicContact CD1-CG1 3.81Å; I360-V381 HydrophobicContact CG1-CG1 3.83Å; I360-V381 HydrophobicContact CG2-CG1 3.86Å; V381-M388 HydrophobicContact CB-CE 4.42Å; V381-M388 HydrophobicContact CG1-CE 4.21Å; V381-M388 PolarHBondContact N-O 3.2Å; V381-M388 PolarHBondContact O-N 2.75Å; V381-F390 HydrophobicContact CB-CD2 4.47Å; V381-F390 HydrophobicContact CB-CE2 3.97Å; V381-F390 HydrophobicContact CG2-CD2 3.87Å; V381-F390 HydrophobicContact CG2-CE2 3.69Å; V381-L395 HydrophobicContact CG2-CD2 4.16Å
382	L	81.3	Confident	77.2	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	117.9	172.8	177.8	62.4	0	0	0	109.2	L361 K362 L387 V405 W445 A448 L449 A452	L361-L382 HydrophobicContact CB-CG 4.39Å; L361-L382 PolarHBondContact N-O 3.26Å; K362-L382 HydrophobicContact CB-CB 4.47Å; K362-L382 PolarHBondContact N-O 3.38Å; K362-L382 PolarHBondContact O-N 3.42Å; L382-L387 HydrophobicContact CB-CD1 4.14Å; L382-L387 HydrophobicContact CD1-CB 4.25Å; L382-L387 HydrophobicContact CD1-CD1 4.36Å; L382-V405 HydrophobicContact CD1-CG2 3.71Å; L382-W445 HydrophobicContact CB-CZ3 3.99Å; L382-A448 HydrophobicContact CD2-CB 3.93Å; L382-L449 HydrophobicContact CD1-CD2 3.77Å; L382-L449 HydrophobicContact CD2-CD2 3.97Å; L382-L449 HydrophobicContact CD2-CG 4.16Å; L382-L449 HydrophobicContact CG-CD2 4.45Å; L382-A452 HydrophobicContact CD1-CB 4.47Å; L382-A452 HydrophobicContact CD2-CB 4.49Å
383	N	79.8	Confident	76.8	Confident	26 Å²	26	51.7 Å²	51.7	14%	0.139	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	168.3	166.5	-164.8	-41.5	0	0	0	108.5	Y357 Q358 N359 S385 Y386 M388	Y357-N383 PolarHBondContact O-ND2 3.22Å; Q358-N383 PolarHBondContact O-ND2 3.4Å; Q358-N383 PolarHBondContact O-OD1 3.19Å; N359-N383 PolarHBondContact O-OD1 3.28Å; N359-N383 VanDerWaalsContact O-OD1 3.08Å; N383-S385 PolarHBondContact O-N 3.25Å; N383-Y386 PolarHBondContact N-O 3.38Å; N383-Y386 PolarHBondContact O-N 3.33Å; N383-M388 HydrophobicContact CB-CE 4.44Å
384	R	70.4	Confident	76.3	Confident	147 Å²	147	52.2 Å²	52.2	56%	0.555	27%	0.265	S	S	*	.	S	Bend	trans	-54.6	-22.1	-177.4	-67.8	-178.3	179.2	-166.2	1.5	115.4	N359 L361	N359-R384 HydrophobicContact CB-CG 4.28Å; L361-R384 HydrophobicContact CD1-CB 4.47Å; L361-R384 HydrophobicContact CD1-CG 3.94Å; L361-R384 HydrophobicContact CD2-CG 3.84Å; L361-R384 HydrophobicContact CG-CG 3.91Å
385	S	72.1	Confident	75.4	Confident	40 Å²	40	52.2 Å²	52.2	28%	0.28	27%	0.265	S	S	.	.	S	Bend	trans	-128.2	-8.4	179.6	-54.8	0	0	0	0	114.9	N383 N404 V405	N383-S385 PolarHBondContact O-N 3.25Å; S385-N404 WeakPolarHBondContact O-CA 3.49Å; S385-N404 PolarHBondContact O-ND2 3.4Å; S385-V405 PolarHBondContact O-N 3.38Å
386	Y	80.4	Confident	73.8	Confident	112 Å²	112	55.9 Å²	55.9	44%	0.439	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	134.3	-173.8	-66.8	-82.5	0	0	0	112.5	N383 Y403 N404	N383-Y386 PolarHBondContact N-O 3.38Å; N383-Y386 PolarHBondContact O-N 3.33Å; Y386-Y403 CarbonylContact C-O 3.58Å; Y386-Y403 WeakPolarHBondContact CA-O 3.38Å; Y386-N404 HydrophobicContact CD1-CB 4.08Å; Y386-N404 HydrophobicContact CE1-CB 3.77Å
387	L	82.4	Confident	72.7	Confident	2 Å²	2	55.4 Å²	55.4	1%	0.01	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	113.2	165	177.2	66.5	0	0	0	108.1	F380 L382 Y403 V405 I425 L432 W445 L449	F380-L387 HydrophobicContact CB-CD1 4.37Å; F380-L387 HydrophobicContact CD1-CD1 3.86Å; F380-L387 HydrophobicContact CD1-CD2 4.34Å; F380-L387 HydrophobicContact CD1-CG 4.03Å; L382-L387 HydrophobicContact CB-CD1 4.14Å; L382-L387 HydrophobicContact CD1-CB 4.25Å; L382-L387 HydrophobicContact CD1-CD1 4.36Å; L387-Y403 PolarHBondContact N-O 2.94Å; L387-Y403 PolarHBondContact O-N 2.87Å; L387-V405 HydrophobicContact CB-CG2 4.18Å; L387-I425 HydrophobicContact CD2-CD1 3.69Å; L387-L432 HydrophobicContact CD2-CD1 4.3Å; L387-W445 HydrophobicContact CD1-CZ3 4.42Å; L387-L449 HydrophobicContact CB-CD2 4.49Å; L387-L449 HydrophobicContact CD1-CD2 4.26Å; L387-L449 HydrophobicContact CD2-CD2 3.98Å; L387-L449 HydrophobicContact CG-CD2 4.47Å
388	M	82.6	Confident	71.4	Confident	14 Å²	14	59 Å²	59	7%	0.069	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	148.7	-178.1	-65.5	172.1	-63.8	0	0	110.5	Y357 F380 V381 N383 F390 P399 L401	Y357-M388 HydrophobicContact CD1-CE 3.66Å; Y357-M388 HydrophobicContact CD1-SD 3.95Å; Y357-M388 HydrophobicContact CE1-CE 4.08Å; Y357-M388 HydrophobicContact CE1-SD 3.8Å; Y357-M388 HydrophobicContact CG-CE 4.33Å; F380-M388 CarbonylContact C-O 3.55Å; F380-M388 VanDerWaalsContact CA-O 3.3Å; F380-M388 WeakPolarHBondContact CA-O 3.37Å; V381-M388 HydrophobicContact CB-CE 4.42Å; V381-M388 HydrophobicContact CG1-CE 4.21Å; V381-M388 PolarHBondContact N-O 3.2Å; V381-M388 PolarHBondContact O-N 2.75Å; N383-M388 HydrophobicContact CB-CE 4.44Å; M388-F390 HydrophobicContact CB-CD2 4.48Å; M388-F390 HydrophobicContact CB-CE2 3.67Å; M388-F390 HydrophobicContact CB-CZ 4.16Å; M388-P399 HydrophobicContact CB-CB 3.91Å; M388-P399 HydrophobicContact CB-CG 4.49Å; M388-P399 HydrophobicContact CG-CB 4.23Å; M388-P399 HydrophobicContact CG-CG 4.29Å; M388-P399 HydrophobicContact SD-CG 4.25Å; M388-L401 CarbonylContact C-O 3.4Å; M388-L401 WeakPolarHBondContact CA-O 3.37Å
389	A	81.6	Confident	70.6	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	129.8	176.8	0	0	0	0	0	110.8	F380 P399 L400 L401	F380-A389 HydrophobicContact CD1-CB 3.88Å; F380-A389 HydrophobicContact CE1-CB 3.57Å; F380-A389 HydrophobicContact CE2-CB 4.34Å; F380-A389 HydrophobicContact CG-CB 4.41Å; F380-A389 HydrophobicContact CZ-CB 3.82Å; A389-P399 CarbonylContact O-C 3.56Å; A389-L400 PolarHBondContact O-N 3.25Å; A389-L401 HydrophobicContact CB-CB 4.03Å; A389-L401 HydrophobicContact CB-CD1 4.02Å; A389-L401 HydrophobicContact CB-CG 4.4Å; A389-L401 PolarHBondContact N-O 2.98Å; A389-L401 PolarHBondContact O-N 2.66Å
390	F	79.7	Confident	70	Confident	3 Å²	3	62.3 Å²	62.3	1%	0.013	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	159.3	-177.6	-62.1	-92	0	0	0	110.7	Y357 F378 T379 V381 M388 L395 E397 P399	Y357-F390 HydrophobicContact CE1-CZ 4.16Å; Y357-F390 HydrophobicContact CE2-CE1 4.27Å; Y357-F390 AromaticContact CE2-CZ 3.94Å; Y357-F390 HydrophobicContact CE2-CZ 3.94Å; Y357-F390 AromaticContact CZ-CE1 3.96Å; Y357-F390 AromaticContact CZ-CZ 3.63Å; Y357-F390 WeakPolarHBondContact OH-CE1 3.47Å; F378-F390 WeakPolarHBondContact CA-O 3.5Å; F378-F390 WeakPolarHBondContact CB-O 3.32Å; T379-F390 PolarHBondContact N-O 2.87Å; T379-F390 PolarHBondContact O-N 2.68Å; V381-F390 HydrophobicContact CB-CD2 4.47Å; V381-F390 HydrophobicContact CB-CE2 3.97Å; V381-F390 HydrophobicContact CG2-CD2 3.87Å; V381-F390 HydrophobicContact CG2-CE2 3.69Å; M388-F390 HydrophobicContact CB-CD2 4.48Å; M388-F390 HydrophobicContact CB-CE2 3.67Å; M388-F390 HydrophobicContact CB-CZ 4.16Å; F390-L395 HydrophobicContact CB-CD2 3.98Å; F390-L395 HydrophobicContact CD1-CD2 4.28Å; F390-L395 HydrophobicContact CD2-CD2 3.76Å; F390-L395 HydrophobicContact CE2-CD2 4.31Å; F390-L395 HydrophobicContact CG-CD2 3.75Å; F390-E397 WeakPolarHBondContact CE1-O 3.13Å; F390-P399 HydrophobicContact CD1-CB 4.25Å; F390-P399 HydrophobicContact CE1-CB 3.74Å; F390-P399 HydrophobicContact CE1-CG 4.37Å; F390-P399 HydrophobicContact CE2-CB 4.23Å; F390-P399 HydrophobicContact CZ-CB 3.74Å; F390-P399 HydrophobicContact CZ-CG 4.32Å
391	Q	71.6	Confident	69.4	Low	108 Å²	108	64.5 Å²	64.5	51%	0.505	34%	0.335	S	S	.	.			trans	-67.9	140.1	169.5	-169.8	165.5	-39.5	0	0	109.4	G393 R394 L400	Q391-G393 PolarHBondContact O-N 2.75Å; Q391-G393 VanDerWaalsContact O-N 3.15Å; Q391-R394 PolarHBondContact O-N 2.88Å; Q391-L400 HydrophobicContact CB-CD1 4.15Å
392	P	65.3	Low	69.2	Low	65 Å²	65	67.4 Å²	67.4	42%	0.422	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	123.4	178.2	-27.5	36.7	0	0	0	111.6	A377	A377-P392 HydrophobicContact CB-CG 4.11Å; A377-P392 WeakPolarHBondContact O-CD 3.42Å; A377-P392 VanDerWaalsContact O-CG 3.28Å; A377-P392 WeakPolarHBondContact O-CG 3.4Å
393	G	54.3	Low	69.1	Low	79 Å²	79	68.8 Å²	68.8	81%	0.814	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.9	7.1	-179	0	0	0	0	0	116.4	Q391	Q391-G393 PolarHBondContact O-N 2.75Å; Q391-G393 VanDerWaalsContact O-N 3.15Å
394	R	55.4	Low	68.9	Low	136 Å²	136	69.4 Å²	69.4	51%	0.513	37%	0.365	S	S	.	.			trans	-132.8	94.8	174.6	-62.4	-162.7	178	-159.6	-4.4	112.1	Q391 E397	Q391-R394 PolarHBondContact O-N 2.88Å; R394-E397 WeakPolarHBondContact CD-OE1 3.16Å; R394-E397 IonicContact CZ-OE1 2.75Å; R394-E397 IonicContact NE-OE1 3.36Å; R394-E397 IonicContact NH1-OE1 3.15Å; R394-E397 PolarHBondContact NH1-OE1 2.99Å
395	L	54.4	Low	69.4	Low	84 Å²	84	62.6 Å²	62.6	44%	0.44	34%	0.339	S	S	.	.			trans	-96.6	-14.7	176.1	-67.8	175.2	0	0	0	113.4	T379 V381 F390	T379-L395 HydrophobicContact CG2-CD2 4.01Å; V381-L395 HydrophobicContact CG2-CD2 4.16Å; F390-L395 HydrophobicContact CB-CD2 3.98Å; F390-L395 HydrophobicContact CD1-CD2 4.28Å; F390-L395 HydrophobicContact CD2-CD2 3.76Å; F390-L395 HydrophobicContact CE2-CD2 4.31Å; F390-L395 HydrophobicContact CG-CD2 3.75Å
396	D	46.7	Very low	69.5	Low	153 Å²	153	63.4 Å²	63.4	82%	0.818	34%	0.34	S	S	*	.	S	Bend	trans	-84.8	-10.4	-178.5	-49.3	-66.1	0	0	0	113.6
397	E	56.7	Low	69.3	Low	99 Å²	99	61.8 Å²	61.8	46%	0.463	34%	0.342	S	S	.	.	S	Bend	trans	-88.6	159.2	171	-71.6	-174.8	-142.2	0	0	111.3	F390 R394	F390-E397 WeakPolarHBondContact CE1-O 3.13Å; R394-E397 WeakPolarHBondContact CD-OE1 3.16Å; R394-E397 IonicContact CZ-OE1 2.75Å; R394-E397 IonicContact NE-OE1 3.36Å; R394-E397 IonicContact NH1-OE1 3.15Å; R394-E397 PolarHBondContact NH1-OE1 2.99Å
398	D	51.9	Low	69	Low	108 Å²	108	62 Å²	62	58%	0.578	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-63.4	141.9	178.1	-85.6	-58.4	0	0	0	111.8	K355 L400	K355-D398 IonicContact NZ-OD1 2.71Å; K355-D398 PolarHBondContact NZ-OD1 2.7Å; K355-D398 IonicContact NZ-OD2 2.87Å; K355-D398 PolarHBondContact NZ-OD2 3.44Å; D398-L400 PolarHBondContact O-N 3.04Å
399	P	66.8	Low	68.6	Low	32 Å²	32	66.3 Å²	66.3	21%	0.208	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-64.1	121.3	-174.7	24.8	-33.7	0	0	0	111.1	M388 A389 F390 L401	M388-P399 HydrophobicContact CB-CB 3.91Å; M388-P399 HydrophobicContact CB-CG 4.49Å; M388-P399 HydrophobicContact CG-CB 4.23Å; M388-P399 HydrophobicContact CG-CG 4.29Å; M388-P399 HydrophobicContact SD-CG 4.25Å; A389-P399 CarbonylContact O-C 3.56Å; F390-P399 HydrophobicContact CD1-CB 4.25Å; F390-P399 HydrophobicContact CE1-CB 3.74Å; F390-P399 HydrophobicContact CE1-CG 4.37Å; F390-P399 HydrophobicContact CE2-CB 4.23Å; F390-P399 HydrophobicContact CZ-CB 3.74Å; F390-P399 HydrophobicContact CZ-CG 4.32Å; P399-L401 PolarHBondContact O-N 2.91Å
400	L	69.7	Low	68.4	Low	95 Å²	95	68.2 Å²	68.2	50%	0.497	38%	0.379	S	S	.	.	S	Bend	trans	-51.1	-29.7	177.5	-63	176.5	0	0	0	112.8	F378 A389 Q391 D398	F378-L400 HydrophobicContact CD1-CD1 4Å; F378-L400 HydrophobicContact CE1-CD1 3.82Å; A389-L400 PolarHBondContact O-N 3.25Å; Q391-L400 HydrophobicContact CB-CD1 4.15Å; D398-L400 PolarHBondContact O-N 3.04Å
401	L	71.5	Confident	68.5	Low	47 Å²	47	68.5 Å²	68.5	25%	0.246	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	139.9	173.7	-51	159.1	0	0	0	109.1	M388 A389 P399 Y403	M388-L401 CarbonylContact C-O 3.4Å; M388-L401 WeakPolarHBondContact CA-O 3.37Å; A389-L401 HydrophobicContact CB-CB 4.03Å; A389-L401 HydrophobicContact CB-CD1 4.02Å; A389-L401 HydrophobicContact CB-CG 4.4Å; A389-L401 PolarHBondContact N-O 2.98Å; A389-L401 PolarHBondContact O-N 2.66Å; P399-L401 PolarHBondContact O-N 2.91Å; L401-Y403 HydrophobicContact CB-CD2 4.3Å; L401-Y403 HydrophobicContact CB-CE2 3.54Å; L401-Y403 HydrophobicContact CD1-CE2 4.2Å; L401-Y403 HydrophobicContact CG-CE2 4.33Å
402	S	79.1	Confident	68.9	Low	66 Å²	66	67.3 Å²	67.3	46%	0.462	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	123.8	170.4	-175.4	0	0	0	0	110.3
403	Y	78.2	Confident	69.5	Low	28 Å²	28	68.1 Å²	68.1	11%	0.11	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	125.3	-178.6	-59.3	-95.8	0	0	0	109.3	R368 Y386 L387 L401 V405 F427 D430 L432	R368-Y403 PolarHBondContact NH1-OH 3.07Å; Y386-Y403 CarbonylContact C-O 3.58Å; Y386-Y403 WeakPolarHBondContact CA-O 3.38Å; L387-Y403 PolarHBondContact N-O 2.94Å; L387-Y403 PolarHBondContact O-N 2.87Å; L401-Y403 HydrophobicContact CB-CD2 4.3Å; L401-Y403 HydrophobicContact CB-CE2 3.54Å; L401-Y403 HydrophobicContact CD1-CE2 4.2Å; L401-Y403 HydrophobicContact CG-CE2 4.33Å; Y403-V405 PolarHBondContact O-N 3.09Å; Y403-F427 AromaticContact CD1-CD2 3.78Å; Y403-F427 HydrophobicContact CD1-CD2 3.78Å; Y403-F427 AromaticContact CD1-CE2 3.83Å; Y403-F427 HydrophobicContact CD1-CE2 3.83Å; Y403-F427 HydrophobicContact CD1-CG 4.21Å; Y403-F427 HydrophobicContact CD1-CZ 4.29Å; Y403-F427 HydrophobicContact CE1-CD2 4.33Å; Y403-F427 HydrophobicContact CG-CD2 4.41Å; Y403-F427 AromaticContact CG-CE2 3.99Å; Y403-F427 HydrophobicContact CG-CE2 3.99Å; Y403-F427 HydrophobicContact CG-CZ 4.14Å; Y403-D430 HydrophobicContact CE1-CB 4.12Å; Y403-D430 WeakPolarHBondContact CE1-OD2 3.28Å; Y403-D430 PolarHBondContact OH-OD2 3.38Å; Y403-L432 HydrophobicContact CD1-CD1 4.2Å; Y403-L432 HydrophobicContact CD2-CD1 3.58Å; Y403-L432 HydrophobicContact CE1-CD1 3.97Å; Y403-L432 HydrophobicContact CE1-CG 4.29Å; Y403-L432 HydrophobicContact CE2-CD1 3.31Å; Y403-L432 HydrophobicContact CE2-CD2 4.38Å; Y403-L432 HydrophobicContact CE2-CG 4.06Å; Y403-L432 HydrophobicContact CG-CD1 4.02Å
404	N	76.9	Confident	70.3	Confident	40 Å²	40	65 Å²	65	21%	0.214	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	128.2	172.8	173	-83.8	0	0	0	110.1	S385 Y386 D406 V407 F427	S385-N404 WeakPolarHBondContact O-CA 3.49Å; S385-N404 PolarHBondContact O-ND2 3.4Å; Y386-N404 HydrophobicContact CD1-CB 4.08Å; Y386-N404 HydrophobicContact CE1-CB 3.77Å; N404-D406 PolarHBondContact ND2-OD2 3.05Å; N404-D406 WeakPolarHBondContact OD1-CA 3.26Å; N404-D406 WeakPolarHBondContact OD1-CB 3.33Å; N404-D406 PolarHBondContact OD1-N 3.28Å; N404-D406 PolarHBondContact OD1-OD2 3.42Å; N404-V407 HydrophobicContact CB-CG2 4.14Å; N404-V407 WeakPolarHBondContact OD1-CG2 3.44Å; N404-V407 PolarHBondContact OD1-N 3.09Å; N404-F427 WeakPolarHBondContact O-CE1 3.42Å
405	V	80.6	Confident	70.5	Confident	3 Å²	3	64 Å²	64	2%	0.018	35%	0.353	C	S	.	.	S	Bend	trans	-76.7	-26.1	-172.7	179.6	0	0	0	0	111.9	L382 S385 L387 Y403 V407 C408 A452 A453	L382-V405 HydrophobicContact CD1-CG2 3.71Å; S385-V405 PolarHBondContact O-N 3.38Å; L387-V405 HydrophobicContact CB-CG2 4.18Å; Y403-V405 PolarHBondContact O-N 3.09Å; V405-V407 PolarHBondContact O-N 3.34Å; V405-C408 WeakPolarHBondContact O-CB 3.34Å; V405-C408 PolarHBondContact O-N 3.23Å; V405-A452 HydrophobicContact CG1-CB 3.82Å; V405-A453 HydrophobicContact CG1-CB 3.89Å
406	D	73.1	Confident	70.7	Confident	58 Å²	58	66.9 Å²	66.9	31%	0.31	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-30.6	180	-42.1	-52.5	0	0	0	111.6	N404 C408 T456	N404-D406 PolarHBondContact ND2-OD2 3.05Å; N404-D406 WeakPolarHBondContact OD1-CA 3.26Å; N404-D406 WeakPolarHBondContact OD1-CB 3.33Å; N404-D406 PolarHBondContact OD1-N 3.28Å; N404-D406 PolarHBondContact OD1-OD2 3.42Å; D406-C408 VanDerWaalsContact C-N 3.34Å; D406-T456 WeakPolarHBondContact OD1-CB 3.4Å; D406-T456 VanDerWaalsContact OD1-CG2 3.23Å; D406-T456 WeakPolarHBondContact OD1-CG2 3.31Å; D406-T456 PolarHBondContact OD1-OG1 3.18Å
407	V	75.9	Confident	71.1	Confident	77 Å²	77	63.5 Å²	63.5	47%	0.467	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	4.7	175	-137.4	0	0	0	0	113.9	N404 V405 L409 P428	N404-V407 HydrophobicContact CB-CG2 4.14Å; N404-V407 WeakPolarHBondContact OD1-CG2 3.44Å; N404-V407 PolarHBondContact OD1-N 3.09Å; V405-V407 PolarHBondContact O-N 3.34Å; V407-L409 PolarHBondContact O-N 2.87Å; V407-P428 HydrophobicContact CG1-CG 3.68Å; V407-P428 WeakPolarHBondContact O-CD 3.42Å
408	C	77.9	Confident	71	Confident	7 Å²	7	62.1 Å²	62.1	5%	0.047	36%	0.359	C	S	.	.			trans	-62.6	122.9	174.4	179.4	0	0	0	0	110.4	V405 D406 F427 A453 R457	V405-C408 WeakPolarHBondContact O-CB 3.34Å; V405-C408 PolarHBondContact O-N 3.23Å; D406-C408 VanDerWaalsContact C-N 3.34Å; C408-F427 HydrophobicContact CB-CD1 4.39Å; C408-F427 HydrophobicContact CB-CE1 3.92Å; C408-A453 HydrophobicContact CB-CB 4.26Å; C408-R457 PolarHBondContact O-NH2 3.09Å
409	L	74.3	Confident	71.4	Confident	104 Å²	104	59 Å²	59	55%	0.545	35%	0.346	S	S	.	.			trans	-83.6	-47.3	-177.7	-61.3	178.4	0	0	0	111.5	V407 I426 P428	V407-L409 PolarHBondContact O-N 2.87Å; L409-I426 HydrophobicContact CB-CG2 4.35Å; L409-I426 WeakPolarHBondContact CB-O 3.23Å; L409-I426 HydrophobicContact CD1-CG2 4.3Å; L409-I426 PolarHBondContact N-O 3.46Å; L409-P428 HydrophobicContact CD1-CB 4.41Å; L409-P428 HydrophobicContact CD1-CG 4.08Å; L409-P428 HydrophobicContact CD2-CG 4.28Å; L409-P428 HydrophobicContact CG-CG 4.15Å
410	S	75.8	Confident	71.2	Confident	40 Å²	40	62.1 Å²	62.1	28%	0.28	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	159.5	171.7	66.4	0	0	0	0	112.4	Q412 I426	S410-Q412 PolarHBondContact OG-NE2 3.03Å; S410-I426 PolarHBondContact O-N 2.93Å
411	V	83.6	Confident	71.5	Confident	10 Å²	10	58.6 Å²	58.6	6%	0.061	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	121.7	171.2	-174.9	0	0	0	0	108.1	F423 Q424 I425 M446 L449 R450	V411-F423 HydrophobicContact CG1-CD2 4.38Å; V411-Q424 WeakPolarHBondContact CA-O 3.3Å; V411-I425 HydrophobicContact CG1-CG1 4.38Å; V411-I425 HydrophobicContact CG2-CG2 4.26Å; V411-M446 HydrophobicContact CG1-CB 3.95Å; V411-M446 HydrophobicContact CG1-CG 3.62Å; V411-M446 HydrophobicContact CG1-SD 4.28Å; V411-L449 HydrophobicContact CG2-CB 4.13Å; V411-R450 HydrophobicContact CB-CG 4.21Å; V411-R450 HydrophobicContact CG2-CG 4.34Å; V411-R450 PolarHBondContact O-NE 3.3Å; V411-R450 PolarHBondContact O-NH2 3.02Å
412	Q	79.6	Confident	72	Confident	83 Å²	83	56.5 Å²	56.5	39%	0.388	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	148.8	-171.7	-52.8	-177.2	24.9	0	0	110.9	S410 F423 Q424	S410-Q412 PolarHBondContact OG-NE2 3.03Å; Q412-F423 CarbonylContact O-C 3.58Å; Q412-F423 WeakPolarHBondContact O-CA 3.32Å; Q412-F423 WeakPolarHBondContact O-CB 3.15Å; Q412-Q424 HydrophobicContact CB-CG 4.04Å; Q412-Q424 PolarHBondContact N-O 2.98Å; Q412-Q424 PolarHBondContact O-N 3.16Å
413	T	77.7	Confident	72.2	Confident	81 Å²	81	53.4 Å²	53.4	50%	0.497	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	136	167.4	43.4	0	0	0	0	109.9	M446	T413-M446 HydrophobicContact CG2-CE 3.8Å; T413-M446 HydrophobicContact CG2-SD 4.04Å
414	D	71.6	Confident	72.5	Confident	13 Å²	13	53.8 Å²	53.8	7%	0.07	31%	0.314	C	S	.	.			trans	-104	103.8	177.1	-162.1	-24.3	0	0	0	109.7	Q416 C422 Q424 R433	D414-Q416 VanDerWaalsContact C-N 3.34Å; D414-Q416 WeakPolarHBondContact OD1-CB 3.39Å; D414-Q416 PolarHBondContact OD1-N 2.85Å; D414-Q416 VanDerWaalsContact OD1-N 3.16Å; D414-C422 HydrophobicContact CB-CB 4.35Å; D414-C422 PolarHBondContact N-O 3.17Å; D414-Q424 HydrophobicContact CB-CG 4.37Å; D414-R433 IonicContact OD1-NH2 2.69Å; D414-R433 IonicContact OD2-CZ 2.86Å; D414-R433 VanDerWaalsContact OD2-CZ 3.23Å; D414-R433 IonicContact OD2-NE 2.72Å; D414-R433 PolarHBondContact OD2-NE 3.37Å; D414-R433 IonicContact OD2-NH2 3.21Å; D414-R433 PolarHBondContact OD2-NH2 3.36Å; D414-R433 VanDerWaalsContact OD2-NH2 3.11Å
415	T	59.3	Low	72.8	Confident	115 Å²	115	52 Å²	52	71%	0.706	30%	0.304	S	S	*	.			trans	-89.1	1.6	-177.1	51.4	0	0	0	0	113.4	D417 G418	T415-D417 VanDerWaalsContact C-N 3.3Å; T415-D417 PolarHBondContact O-N 3.18Å; T415-G418 PolarHBondContact O-N 3.49Å
416	Q	57.5	Low	72.7	Confident	146 Å²	146	53.8 Å²	53.8	68%	0.682	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-34.4	-173.2	-161.3	89.6	73	0	0	113.3	D414	D414-Q416 VanDerWaalsContact C-N 3.34Å; D414-Q416 WeakPolarHBondContact OD1-CB 3.39Å; D414-Q416 PolarHBondContact OD1-N 2.85Å; D414-Q416 VanDerWaalsContact OD1-N 3.16Å
417	D	56.3	Low	73.2	Confident	81 Å²	81	51.9 Å²	51.9	43%	0.433	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	8.3	-173.6	-68	-16.6	0	0	0	113.8	T415 C419	T415-D417 VanDerWaalsContact C-N 3.3Å; T415-D417 PolarHBondContact O-N 3.18Å; D417-C419 PolarHBondContact O-N 3.04Å; D417-C419 VanDerWaalsContact O-N 3.07Å; D417-C419 PolarHBondContact O-SG 2.82Å; D417-C419 VanDerWaalsContact O-SG 3.4Å
418	G	54.8	Low	72.8	Confident	70 Å²	70	51.9 Å²	51.9	72%	0.722	30%	0.304	S	S	*	.	S	Bend	trans	63.8	12.1	-177.9	0	0	0	0	0	115.3	T415	T415-G418 PolarHBondContact O-N 3.49Å
419	C	60.3	Low	72.2	Confident	44 Å²	44	60.9 Å²	60.9	30%	0.297	35%	0.345	S	S	.	.			trans	-113.5	109.5	-176.4	-67.2	0	0	0	0	111.3	D417 S421 C422	D417-C419 PolarHBondContact O-N 3.04Å; D417-C419 VanDerWaalsContact O-N 3.07Å; D417-C419 PolarHBondContact O-SG 2.82Å; D417-C419 VanDerWaalsContact O-SG 3.4Å; C419-S421 PolarHBondContact O-N 3.29Å; C419-C422 WeakPolarHBondContact O-CB 3.39Å; C419-C422 PolarHBondContact O-N 3.01Å; C419-C422 VanDerWaalsContact O-N 3.08Å
420	D	62.4	Low	72.3	Confident	97 Å²	97	58.6 Å²	58.6	52%	0.519	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-9.9	-178.7	-67.5	-25.6	0	0	0	115.8	R439	D420-R439 HydrophobicContact CB-CB 4.14Å; D420-R439 HydrophobicContact CB-CG 3.86Å; D420-R439 IonicContact OD1-NH1 2.82Å; D420-R439 PolarHBondContact OD1-NH1 3.18Å; D420-R439 IonicContact OD2-CZ 3.81Å; D420-R439 IonicContact OD2-NH1 3.82Å; D420-R439 PolarHBondContact OD2-NH1 3.44Å
421	S	74.5	Confident	72.6	Confident	20 Å²	20	60 Å²	60	14%	0.14	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	2	177.2	-48.5	0	0	0	0	113.8	C419 R435 A436 T438 R439	C419-S421 PolarHBondContact O-N 3.29Å; S421-R435 WeakPolarHBondContact O-CA 3.28Å; S421-A436 WeakPolarHBondContact CB-O 3.3Å; S421-A436 PolarHBondContact O-N 3.04Å; S421-T438 VanDerWaalsContact OG-C 3.28Å; S421-R439 PolarHBondContact OG-N 3.26Å
422	C	81.8	Confident	72.5	Confident	4 Å²	4	59.5 Å²	59.5	3%	0.027	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	137.8	-179.3	-68.3	0	0	0	0	112.7	D414 C419	D414-C422 HydrophobicContact CB-CB 4.35Å; D414-C422 PolarHBondContact N-O 3.17Å; C419-C422 WeakPolarHBondContact O-CB 3.39Å; C419-C422 PolarHBondContact O-N 3.01Å; C419-C422 VanDerWaalsContact O-N 3.08Å
423	F	83.5	Confident	72.7	Confident	1 Å²	1	59.2 Å²	59.2	0%	0.004	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	155.8	178.1	64.9	-81.5	0	0	0	112	L366 V411 Q412 I425 L434 A442 W445 M446 L449	L366-F423 HydrophobicContact CD1-CZ 4Å; L366-F423 HydrophobicContact CD2-CE1 4.44Å; L366-F423 HydrophobicContact CD2-CZ 4.48Å; V411-F423 HydrophobicContact CG1-CD2 4.38Å; Q412-F423 CarbonylContact O-C 3.58Å; Q412-F423 WeakPolarHBondContact O-CA 3.32Å; Q412-F423 WeakPolarHBondContact O-CB 3.15Å; F423-I425 HydrophobicContact CD2-CG1 4.34Å; F423-I425 HydrophobicContact CE2-CD1 4.3Å; F423-I425 HydrophobicContact CE2-CG1 4.32Å; F423-L434 HydrophobicContact CD1-CB 4.42Å; F423-L434 HydrophobicContact CD2-CB 4.37Å; F423-L434 HydrophobicContact CE1-CB 4Å; F423-L434 HydrophobicContact CE2-CB 3.96Å; F423-L434 HydrophobicContact CE2-CD1 4.01Å; F423-L434 HydrophobicContact CZ-CB 3.76Å; F423-L434 HydrophobicContact CZ-CD1 4.13Å; F423-L434 PolarHBondContact N-O 2.97Å; F423-L434 PolarHBondContact O-N 2.93Å; F423-A442 HydrophobicContact CD1-CB 3.95Å; F423-A442 HydrophobicContact CE1-CB 4.22Å; F423-W445 HydrophobicContact CE1-CB 4.45Å; F423-W445 HydrophobicContact CE2-CB 4.48Å; F423-W445 HydrophobicContact CZ-CB 3.86Å; F423-M446 HydrophobicContact CB-CE 4.25Å; F423-M446 HydrophobicContact CB-CG 3.82Å; F423-M446 HydrophobicContact CB-SD 3.47Å; F423-M446 WeakPolarHBondContact CB-SD 3.38Å; F423-M446 HydrophobicContact CD1-CG 4.43Å; F423-M446 HydrophobicContact CD2-CG 3.63Å; F423-M446 HydrophobicContact CD2-SD 4.43Å; F423-M446 HydrophobicContact CE2-CG 4.24Å; F423-M446 HydrophobicContact CG-CG 3.73Å; F423-M446 HydrophobicContact CG-SD 4.08Å; F423-L449 HydrophobicContact CE2-CD1 4.16Å
424	Q	84.6	Confident	73.1	Confident	36 Å²	36	55.4 Å²	55.4	17%	0.168	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	137.8	-179.9	58.2	179.7	-19.1	0	0	111.9	V411 Q412 D414 V431 L432 R433	V411-Q424 WeakPolarHBondContact CA-O 3.3Å; Q412-Q424 HydrophobicContact CB-CG 4.04Å; Q412-Q424 PolarHBondContact N-O 2.98Å; Q412-Q424 PolarHBondContact O-N 3.16Å; D414-Q424 HydrophobicContact CB-CG 4.37Å; Q424-V431 HydrophobicContact CB-CG1 4.42Å; Q424-L432 CarbonylContact C-O 3.49Å; Q424-L432 WeakPolarHBondContact CA-O 3.18Å; Q424-R433 HydrophobicContact CB-CG 4.23Å
425	I	84.4	Confident	73.6	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.005	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	122.2	175.1	-49.2	166.7	0	0	0	107.8	L387 V411 F423 F427 L432 L434 L449	L387-I425 HydrophobicContact CD2-CD1 3.69Å; V411-I425 HydrophobicContact CG1-CG1 4.38Å; V411-I425 HydrophobicContact CG2-CG2 4.26Å; F423-I425 HydrophobicContact CD2-CG1 4.34Å; F423-I425 HydrophobicContact CE2-CD1 4.3Å; F423-I425 HydrophobicContact CE2-CG1 4.32Å; I425-F427 HydrophobicContact CB-CE2 4Å; I425-F427 HydrophobicContact CG2-CD2 4.05Å; I425-F427 HydrophobicContact CG2-CE1 4.41Å; I425-F427 HydrophobicContact CG2-CE2 3.31Å; I425-F427 HydrophobicContact CG2-CZ 3.53Å; I425-L432 HydrophobicContact CB-CB 4.08Å; I425-L432 HydrophobicContact CD1-CB 4.47Å; I425-L432 PolarHBondContact N-O 2.87Å; I425-L432 PolarHBondContact O-N 3.47Å; I425-L434 HydrophobicContact CD1-CD1 3.68Å; I425-L449 HydrophobicContact CD1-CD1 3.48Å; I425-L449 VanDerWaalsContact CD1-CD1 3.48Å; I425-L449 HydrophobicContact CG1-CD1 4.07Å
426	I	77.8	Confident	74.8	Confident	42 Å²	42	54 Å²	54	22%	0.215	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	116.1	-176.2	-55.9	-177.4	0	0	0	109.4	L409 S410 V431	L409-I426 HydrophobicContact CB-CG2 4.35Å; L409-I426 WeakPolarHBondContact CB-O 3.23Å; L409-I426 HydrophobicContact CD1-CG2 4.3Å; L409-I426 PolarHBondContact N-O 3.46Å; S410-I426 PolarHBondContact O-N 2.93Å; I426-V431 HydrophobicContact CG1-CG1 4.34Å; I426-V431 HydrophobicContact CG2-CG2 4.41Å
427	F	82.8	Confident	75.9	Confident	18 Å²	18	53.4 Å²	53.4	8%	0.079	29%	0.288	C	S	.	.			trans	-106.7	165.4	168.7	-62.1	-83.4	0	0	0	109.8	Y403 N404 C408 I425 Q429 D430 L432	Y403-F427 AromaticContact CD1-CD2 3.78Å; Y403-F427 HydrophobicContact CD1-CD2 3.78Å; Y403-F427 AromaticContact CD1-CE2 3.83Å; Y403-F427 HydrophobicContact CD1-CE2 3.83Å; Y403-F427 HydrophobicContact CD1-CG 4.21Å; Y403-F427 HydrophobicContact CD1-CZ 4.29Å; Y403-F427 HydrophobicContact CE1-CD2 4.33Å; Y403-F427 HydrophobicContact CG-CD2 4.41Å; Y403-F427 AromaticContact CG-CE2 3.99Å; Y403-F427 HydrophobicContact CG-CE2 3.99Å; Y403-F427 HydrophobicContact CG-CZ 4.14Å; N404-F427 WeakPolarHBondContact O-CE1 3.42Å; C408-F427 HydrophobicContact CB-CD1 4.39Å; C408-F427 HydrophobicContact CB-CE1 3.92Å; I425-F427 HydrophobicContact CB-CE2 4Å; I425-F427 HydrophobicContact CG2-CD2 4.05Å; I425-F427 HydrophobicContact CG2-CE1 4.41Å; I425-F427 HydrophobicContact CG2-CE2 3.31Å; I425-F427 HydrophobicContact CG2-CZ 3.53Å; F427-Q429 PolarHBondContact O-N 3.17Å; F427-D430 WeakPolarHBondContact CB-O 3.27Å; F427-D430 PolarHBondContact N-O 3.23Å; F427-L432 HydrophobicContact CE2-CD1 3.89Å
428	P	69.3	Low	77	Confident	77 Å²	77	52.8 Å²	52.8	50%	0.5	29%	0.287	S	S	.	.	S	Bend	trans	-67.8	-7	-177.3	-20.7	32.9	0	0	0	115.7	V407 L409	V407-P428 HydrophobicContact CG1-CG 3.68Å; V407-P428 WeakPolarHBondContact O-CD 3.42Å; L409-P428 HydrophobicContact CD1-CB 4.41Å; L409-P428 HydrophobicContact CD1-CG 4.08Å; L409-P428 HydrophobicContact CD2-CG 4.28Å; L409-P428 HydrophobicContact CG-CG 4.15Å
429	Q	65.4	Low	78.2	Confident	195 Å²	195	57 Å²	57	91%	0.911	28%	0.281	S	S	*	.	S	Bend	trans	-138.5	-6.3	-175	-63.9	-176.5	-2.7	0	0	114.4	F427	F427-Q429 PolarHBondContact O-N 3.17Å
430	D	76	Confident	79	Confident	57 Å²	57	61.8 Å²	61.8	31%	0.305	30%	0.299	S	S	.	.			trans	-152.8	153.6	177.5	-170.3	11.5	0	0	0	109.7	R368 Y403 F427	R368-D430 IonicContact CZ-OD2 3.78Å; R368-D430 IonicContact NH1-OD2 3.64Å; R368-D430 IonicContact NH2-OD1 2.69Å; R368-D430 PolarHBondContact NH2-OD1 3.08Å; R368-D430 IonicContact NH2-OD2 3.88Å; R368-D430 PolarHBondContact NH2-OD2 3.2Å; Y403-D430 HydrophobicContact CE1-CB 4.12Å; Y403-D430 WeakPolarHBondContact CE1-OD2 3.28Å; Y403-D430 PolarHBondContact OH-OD2 3.38Å; F427-D430 WeakPolarHBondContact CB-O 3.27Å; F427-D430 PolarHBondContact N-O 3.23Å
431	V	81.4	Confident	79.8	Confident	69 Å²	69	63.2 Å²	63.2	42%	0.418	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	108.1	174.4	-179.8	0	0	0	0	108.9	Q424 I426 R433	Q424-V431 HydrophobicContact CB-CG1 4.42Å; I426-V431 HydrophobicContact CG1-CG1 4.34Å; I426-V431 HydrophobicContact CG2-CG2 4.41Å; V431-R433 PolarHBondContact O-N 2.79Å
432	L	82.5	Confident	80.3	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	98.7	-178.2	-101.5	174.4	0	0	0	110.3	R368 L387 Y403 Q424 I425 F427 L434	R368-L432 HydrophobicContact CG-CD2 3.88Å; L387-L432 HydrophobicContact CD2-CD1 4.3Å; Y403-L432 HydrophobicContact CD1-CD1 4.2Å; Y403-L432 HydrophobicContact CD2-CD1 3.58Å; Y403-L432 HydrophobicContact CE1-CD1 3.97Å; Y403-L432 HydrophobicContact CE1-CG 4.29Å; Y403-L432 HydrophobicContact CE2-CD1 3.31Å; Y403-L432 HydrophobicContact CE2-CD2 4.38Å; Y403-L432 HydrophobicContact CE2-CG 4.06Å; Y403-L432 HydrophobicContact CG-CD1 4.02Å; Q424-L432 CarbonylContact C-O 3.49Å; Q424-L432 WeakPolarHBondContact CA-O 3.18Å; I425-L432 HydrophobicContact CB-CB 4.08Å; I425-L432 HydrophobicContact CD1-CB 4.47Å; I425-L432 PolarHBondContact N-O 2.87Å; I425-L432 PolarHBondContact O-N 3.47Å; F427-L432 HydrophobicContact CE2-CD1 3.89Å; L432-L434 HydrophobicContact CD2-CD2 4.06Å; L432-L434 HydrophobicContact CD2-CG 4.47Å
433	R	83.8	Confident	80.3	Confident	76 Å²	76	65.5 Å²	65.5	29%	0.287	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	117.9	165.5	-77.9	-178.4	163	175.1	-5.6	110.6	L369 D414 Q424 V431	L369-R433 HydrophobicContact CB-CB 4.03Å; L369-R433 HydrophobicContact CD2-CB 4.49Å; L369-R433 PolarHBondContact N-O 2.9Å; L369-R433 VanDerWaalsContact N-O 3.15Å; D414-R433 IonicContact OD1-NH2 2.69Å; D414-R433 IonicContact OD2-CZ 2.86Å; D414-R433 VanDerWaalsContact OD2-CZ 3.23Å; D414-R433 IonicContact OD2-NE 2.72Å; D414-R433 PolarHBondContact OD2-NE 3.37Å; D414-R433 IonicContact OD2-NH2 3.21Å; D414-R433 PolarHBondContact OD2-NH2 3.36Å; D414-R433 VanDerWaalsContact OD2-NH2 3.11Å; Q424-R433 HydrophobicContact CB-CG 4.23Å; V431-R433 PolarHBondContact O-N 2.79Å
434	L	85.3	Confident	80.2	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.005	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	148.9	-177	-63	-179	0	0	0	111.3	L366 Y367 R368 F380 F423 I425 L432	L366-L434 HydrophobicContact CD1-CD1 4.03Å; Y367-L434 CarbonylContact O-C 3.04Å; Y367-L434 VanDerWaalsContact O-CA 3.3Å; Y367-L434 WeakPolarHBondContact O-CA 3.35Å; R368-L434 HydrophobicContact CB-CD2 3.87Å; R368-L434 HydrophobicContact CG-CD2 4.07Å; F380-L434 HydrophobicContact CE1-CD1 4.25Å; F380-L434 HydrophobicContact CE1-CD2 4.26Å; F380-L434 HydrophobicContact CE2-CD2 3.81Å; F380-L434 HydrophobicContact CZ-CD1 4.24Å; F380-L434 HydrophobicContact CZ-CD2 3.49Å; F380-L434 VanDerWaalsContact CZ-CD2 3.49Å; F423-L434 HydrophobicContact CD1-CB 4.42Å; F423-L434 HydrophobicContact CD2-CB 4.37Å; F423-L434 HydrophobicContact CE1-CB 4Å; F423-L434 HydrophobicContact CE2-CB 3.96Å; F423-L434 HydrophobicContact CE2-CD1 4.01Å; F423-L434 HydrophobicContact CZ-CB 3.76Å; F423-L434 HydrophobicContact CZ-CD1 4.13Å; F423-L434 PolarHBondContact N-O 2.97Å; F423-L434 PolarHBondContact O-N 2.93Å; I425-L434 HydrophobicContact CD1-CD1 3.68Å; L432-L434 HydrophobicContact CD2-CD2 4.06Å; L432-L434 HydrophobicContact CD2-CG 4.47Å
435	R	82.6	Confident	80.3	Confident	98 Å²	98	66.5 Å²	66.5	37%	0.37	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	133.4	174.9	172.3	177	173.8	171.5	0.8	109.8	Y367 W375 S421	Y367-R435 PolarHBondContact N-O 3Å; Y367-R435 PolarHBondContact O-N 3.45Å; W375-R435 HydrophobicContact CD2-CB 4.49Å; W375-R435 HydrophobicContact CE3-CB 3.9Å; W375-R435 HydrophobicContact CH2-CB 3.77Å; W375-R435 HydrophobicContact CZ2-CB 4.37Å; W375-R435 HydrophobicContact CZ3-CB 3.52Å; S421-R435 WeakPolarHBondContact O-CA 3.28Å
436	A	84.5	Confident	80.2	Confident	2 Å²	2	66.6 Å²	66.6	2%	0.017	31%	0.31	C	S	.	.			trans	-97	168.8	169.1	0	0	0	0	0	111.2	L366 S421 R441 A442	L366-A436 HydrophobicContact CD2-CB 3.74Å; S421-A436 WeakPolarHBondContact CB-O 3.3Å; S421-A436 PolarHBondContact O-N 3.04Å; A436-R441 HydrophobicContact CB-CB 3.94Å; A436-A442 HydrophobicContact CB-CB 3.93Å
437	E	79.4	Confident	80.4	Confident	132 Å²	132	69.6 Å²	69.6	62%	0.617	32%	0.323	S	S	*	.	S	Bend	trans	-68.3	-35.2	177.9	-65	168.4	169.8	0	0	112	Y367	Y367-E437 HydrophobicContact CE2-CG 4.21Å
438	T	79.9	Confident	80.4	Confident	68 Å²	68	69.9 Å²	69.9	42%	0.417	33%	0.329	S	S	.	.	S	Bend	trans	-132.9	155.6	178	76	0	0	0	0	112.2	S421 Q440 R441 A442	S421-T438 VanDerWaalsContact OG-C 3.28Å; T438-Q440 PolarHBondContact O-N 2.88Å; T438-R441 PolarHBondContact O-N 3.39Å; T438-R441 VanDerWaalsContact O-N 3.14Å; T438-R441 PolarHBondContact OG1-N 3Å; T438-R441 VanDerWaalsContact OG1-N 3.14Å; T438-A442 PolarHBondContact O-N 3.05Å
439	R	79.7	Confident	81.1	Confident	158 Å²	158	66.4 Å²	66.4	60%	0.596	31%	0.306	S	S	*	.	H	α-helix	trans	-54.1	-39.1	173.5	-177.6	179.9	179.4	135.9	5.2	112.1	D420 S421 A442 Q443	D420-R439 HydrophobicContact CB-CB 4.14Å; D420-R439 HydrophobicContact CB-CG 3.86Å; D420-R439 IonicContact OD1-NH1 2.82Å; D420-R439 PolarHBondContact OD1-NH1 3.18Å; D420-R439 IonicContact OD2-CZ 3.81Å; D420-R439 IonicContact OD2-NH1 3.82Å; D420-R439 PolarHBondContact OD2-NH1 3.44Å; S421-R439 PolarHBondContact OG-N 3.26Å; R439-A442 PolarHBondContact O-N 2.96Å; R439-Q443 PolarHBondContact O-N 2.99Å
440	Q	76.5	Confident	82	Confident	145 Å²	145	61.9 Å²	61.9	68%	0.678	28%	0.281	S	S	*	.	H	α-helix	trans	-66.2	-45.1	177.3	-174.6	175.3	1.3	0	0	111.8	T438 A442 Q443 E444	T438-Q440 PolarHBondContact O-N 2.88Å; Q440-A442 VanDerWaalsContact C-N 3.34Å; Q440-A442 PolarHBondContact O-N 2.94Å; Q440-Q443 WeakPolarHBondContact O-CB 3.21Å; Q440-Q443 PolarHBondContact O-N 3.1Å; Q440-E444 WeakPolarHBondContact O-CG 3.08Å; Q440-E444 PolarHBondContact O-N 2.85Å
441	R	81.1	Confident	82.2	Confident	127 Å²	127	62.1 Å²	62.1	48%	0.479	29%	0.29	S	S	.	.	H	α-helix	trans	-63.4	-38.8	175.1	-70.6	-55.5	-161.1	-165.1	4	112	A436 T438 Q443 E444 W445	A436-R441 HydrophobicContact CB-CB 3.94Å; T438-R441 PolarHBondContact O-N 3.39Å; T438-R441 VanDerWaalsContact O-N 3.14Å; T438-R441 PolarHBondContact OG1-N 3Å; T438-R441 VanDerWaalsContact OG1-N 3.14Å; R441-Q443 VanDerWaalsContact C-N 3.33Å; R441-Q443 PolarHBondContact O-N 2.91Å; R441-E444 WeakPolarHBondContact CD-OE1 3.48Å; R441-E444 IonicContact CZ-OE1 3.11Å; R441-E444 IonicContact CZ-OE2 2.72Å; R441-E444 IonicContact NE-OE1 3.77Å; R441-E444 VanDerWaalsContact NH1-CD 3.3Å; R441-E444 IonicContact NH1-OE1 3.13Å; R441-E444 PolarHBondContact NH1-OE1 2.86Å; R441-E444 IonicContact NH1-OE2 3.82Å; R441-E444 PolarHBondContact NH1-OE2 3.38Å; R441-E444 PolarHBondContact O-N 3.26Å; R441-W445 VanDerWaalsContact O-CD1 3.23Å; R441-W445 PolarHBondContact O-N 3.28Å; R441-W445 VanDerWaalsContact O-N 3.07Å
442	A	84.1	Confident	82.1	Confident	0 Å²	0	59 Å²	59	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-59.2	-44.9	173.4	0	0	0	0	0	111.4	F423 A436 T438 R439 Q440 W445 M446	F423-A442 HydrophobicContact CD1-CB 3.95Å; F423-A442 HydrophobicContact CE1-CB 4.22Å; A436-A442 HydrophobicContact CB-CB 3.93Å; T438-A442 PolarHBondContact O-N 3.05Å; R439-A442 PolarHBondContact O-N 2.96Å; Q440-A442 VanDerWaalsContact C-N 3.34Å; Q440-A442 PolarHBondContact O-N 2.94Å; A442-W445 PolarHBondContact O-N 2.79Å; A442-M446 HydrophobicContact CB-CE 4.5Å; A442-M446 WeakPolarHBondContact O-CG 3.43Å; A442-M446 PolarHBondContact O-N 2.83Å
443	Q	80.8	Confident	82	Confident	73 Å²	73	59.3 Å²	59.3	34%	0.341	28%	0.275	S	S	.	.	H	α-helix	trans	-61.7	-48.7	176.6	-170.1	67.2	18.9	0	0	112.3	R439 Q440 R441 W445 M446 E447	R439-Q443 PolarHBondContact O-N 2.99Å; Q440-Q443 WeakPolarHBondContact O-CB 3.21Å; Q440-Q443 PolarHBondContact O-N 3.1Å; R441-Q443 VanDerWaalsContact C-N 3.33Å; R441-Q443 PolarHBondContact O-N 2.91Å; Q443-W445 VanDerWaalsContact C-N 3.27Å; Q443-W445 PolarHBondContact O-N 2.68Å; Q443-M446 PolarHBondContact O-N 2.72Å; Q443-E447 HydrophobicContact CG-CG 4.49Å; Q443-E447 WeakPolarHBondContact CG-OE1 3.36Å; Q443-E447 PolarHBondContact NE2-OE1 2.89Å; Q443-E447 WeakPolarHBondContact O-CB 3.37Å; Q443-E447 WeakPolarHBondContact O-CG 3.13Å; Q443-E447 PolarHBondContact O-N 2.84Å
444	E	82.9	Confident	81.6	Confident	47 Å²	47	59.7 Å²	59.7	22%	0.22	28%	0.282	C	S	.	.	H	α-helix	trans	-55.3	-40.9	175.9	-70.5	173.4	-148.8	0	0	112.6	K362 Q440 R441 A448	K362-E444 IonicContact NZ-OE2 3.45Å; K362-E444 PolarHBondContact NZ-OE2 3.29Å; Q440-E444 WeakPolarHBondContact O-CG 3.08Å; Q440-E444 PolarHBondContact O-N 2.85Å; R441-E444 WeakPolarHBondContact CD-OE1 3.48Å; R441-E444 IonicContact CZ-OE1 3.11Å; R441-E444 IonicContact CZ-OE2 2.72Å; R441-E444 IonicContact NE-OE1 3.77Å; R441-E444 VanDerWaalsContact NH1-CD 3.3Å; R441-E444 IonicContact NH1-OE1 3.13Å; R441-E444 PolarHBondContact NH1-OE1 2.86Å; R441-E444 IonicContact NH1-OE2 3.82Å; R441-E444 PolarHBondContact NH1-OE2 3.38Å; R441-E444 PolarHBondContact O-N 3.26Å; E444-A448 WeakPolarHBondContact O-CB 3.4Å; E444-A448 PolarHBondContact O-N 2.86Å
445	W	86.4	Confident	80.8	Confident	10 Å²	10	62.5 Å²	62.5	4%	0.038	31%	0.306	C	S	.	.	H	α-helix	trans	-70.2	-43.5	178.4	-86.7	105.8	0	0	0	112	K362 L366 F380 L382 L387 F423 R441 A442 Q443 E447 A448 L449	K362-W445 HydrophobicContact CB-CH2 4.23Å; K362-W445 HydrophobicContact CB-CZ3 4.18Å; K362-W445 HydrophobicContact CD-CD2 3.73Å; K362-W445 HydrophobicContact CD-CE3 3.93Å; K362-W445 HydrophobicContact CD-CG 4.17Å; K362-W445 HydrophobicContact CD-CH2 4.46Å; K362-W445 HydrophobicContact CD-CZ2 4.28Å; K362-W445 HydrophobicContact CD-CZ3 4.29Å; K362-W445 HydrophobicContact CG-CD2 4.36Å; K362-W445 HydrophobicContact CG-CE3 4.39Å; K362-W445 HydrophobicContact CG-CH2 4.07Å; K362-W445 HydrophobicContact CG-CZ2 4.02Å; K362-W445 HydrophobicContact CG-CZ3 4.26Å; L366-W445 HydrophobicContact CD1-CD2 3.88Å; L366-W445 HydrophobicContact CD1-CE3 4.22Å; L366-W445 HydrophobicContact CD1-CG 4.14Å; L366-W445 HydrophobicContact CD1-CZ2 4.4Å; L366-W445 HydrophobicContact CD2-CG 4.31Å; F380-W445 HydrophobicContact CB-CH2 4.02Å; F380-W445 HydrophobicContact CB-CZ3 4.41Å; L382-W445 HydrophobicContact CB-CZ3 3.99Å; L387-W445 HydrophobicContact CD1-CZ3 4.42Å; F423-W445 HydrophobicContact CE1-CB 4.45Å; F423-W445 HydrophobicContact CE2-CB 4.48Å; F423-W445 HydrophobicContact CZ-CB 3.86Å; R441-W445 VanDerWaalsContact O-CD1 3.23Å; R441-W445 PolarHBondContact O-N 3.28Å; R441-W445 VanDerWaalsContact O-N 3.07Å; A442-W445 PolarHBondContact O-N 2.79Å; Q443-W445 VanDerWaalsContact C-N 3.27Å; Q443-W445 PolarHBondContact O-N 2.68Å; W445-E447 VanDerWaalsContact C-N 3.32Å; W445-E447 PolarHBondContact O-N 2.96Å; W445-A448 PolarHBondContact O-N 2.96Å; W445-L449 WeakPolarHBondContact O-CB 3.41Å; W445-L449 WeakPolarHBondContact O-CD1 3.44Å; W445-L449 VanDerWaalsContact O-CG 3.25Å; W445-L449 WeakPolarHBondContact O-CG 3.46Å; W445-L449 PolarHBondContact O-N 3.11Å
446	M	82.2	Confident	79.6	Confident	4 Å²	4	60.1 Å²	60.1	2%	0.02	30%	0.302	C	S	.	.	H	α-helix	trans	-61.8	-39.3	174.9	-72.1	-170.5	-78.5	0	0	112.3	V411 T413 F423 A442 Q443 R450	V411-M446 HydrophobicContact CG1-CB 3.95Å; V411-M446 HydrophobicContact CG1-CG 3.62Å; V411-M446 HydrophobicContact CG1-SD 4.28Å; T413-M446 HydrophobicContact CG2-CE 3.8Å; T413-M446 HydrophobicContact CG2-SD 4.04Å; F423-M446 HydrophobicContact CB-CE 4.25Å; F423-M446 HydrophobicContact CB-CG 3.82Å; F423-M446 HydrophobicContact CB-SD 3.47Å; F423-M446 WeakPolarHBondContact CB-SD 3.38Å; F423-M446 HydrophobicContact CD1-CG 4.43Å; F423-M446 HydrophobicContact CD2-CG 3.63Å; F423-M446 HydrophobicContact CD2-SD 4.43Å; F423-M446 HydrophobicContact CE2-CG 4.24Å; F423-M446 HydrophobicContact CG-CG 3.73Å; F423-M446 HydrophobicContact CG-SD 4.08Å; A442-M446 HydrophobicContact CB-CE 4.5Å; A442-M446 WeakPolarHBondContact O-CG 3.43Å; A442-M446 PolarHBondContact O-N 2.83Å; Q443-M446 PolarHBondContact O-N 2.72Å; M446-R450 WeakPolarHBondContact O-CB 3.3Å; M446-R450 WeakPolarHBondContact O-CD 3.48Å; M446-R450 WeakPolarHBondContact O-CG 3.48Å; M446-R450 PolarHBondContact O-N 3.15Å
447	E	82.8	Confident	78.6	Confident	104 Å²	104	65.7 Å²	65.7	49%	0.486	32%	0.323	S	S	.	.	H	α-helix	trans	-70.4	-44.2	178.1	-74.1	175	-176.6	0	0	112.1	Q443 W445 L449 R450 A451	Q443-E447 HydrophobicContact CG-CG 4.49Å; Q443-E447 WeakPolarHBondContact CG-OE1 3.36Å; Q443-E447 PolarHBondContact NE2-OE1 2.89Å; Q443-E447 WeakPolarHBondContact O-CB 3.37Å; Q443-E447 WeakPolarHBondContact O-CG 3.13Å; Q443-E447 PolarHBondContact O-N 2.84Å; W445-E447 VanDerWaalsContact C-N 3.32Å; W445-E447 PolarHBondContact O-N 2.96Å; E447-L449 VanDerWaalsContact C-N 3.32Å; E447-L449 PolarHBondContact O-N 2.87Å; E447-R450 PolarHBondContact O-N 3.29Å; E447-A451 VanDerWaalsContact O-CB 3.3Å; E447-A451 WeakPolarHBondContact O-CB 3.49Å; E447-A451 PolarHBondContact O-N 3.08Å
448	A	82.9	Confident	77.3	Confident	24 Å²	24	64.7 Å²	64.7	20%	0.198	32%	0.322	C	S	.	.	H	α-helix	trans	-60.1	-41	174.5	0	0	0	0	0	112.2	K362 L382 E444 W445 A451 A452	K362-A448 HydrophobicContact CD-CB 3.93Å; L382-A448 HydrophobicContact CD2-CB 3.93Å; E444-A448 WeakPolarHBondContact O-CB 3.4Å; E444-A448 PolarHBondContact O-N 2.86Å; W445-A448 PolarHBondContact O-N 2.96Å; A448-A451 PolarHBondContact O-N 2.93Å; A448-A452 WeakPolarHBondContact O-CB 3.48Å; A448-A452 PolarHBondContact O-N 2.89Å
449	L	82.6	Confident	75.8	Confident	5 Å²	5	69 Å²	69	3%	0.026	34%	0.342	C	S	.	.	H	α-helix	trans	-65.9	-43.9	175.9	-74.7	164	0	0	0	112.7	L382 L387 V411 F423 I425 W445 E447 A452 A453	L382-L449 HydrophobicContact CD1-CD2 3.77Å; L382-L449 HydrophobicContact CD2-CD2 3.97Å; L382-L449 HydrophobicContact CD2-CG 4.16Å; L382-L449 HydrophobicContact CG-CD2 4.45Å; L387-L449 HydrophobicContact CB-CD2 4.49Å; L387-L449 HydrophobicContact CD1-CD2 4.26Å; L387-L449 HydrophobicContact CD2-CD2 3.98Å; L387-L449 HydrophobicContact CG-CD2 4.47Å; V411-L449 HydrophobicContact CG2-CB 4.13Å; F423-L449 HydrophobicContact CE2-CD1 4.16Å; I425-L449 HydrophobicContact CD1-CD1 3.48Å; I425-L449 VanDerWaalsContact CD1-CD1 3.48Å; I425-L449 HydrophobicContact CG1-CD1 4.07Å; W445-L449 WeakPolarHBondContact O-CB 3.41Å; W445-L449 WeakPolarHBondContact O-CD1 3.44Å; W445-L449 VanDerWaalsContact O-CG 3.25Å; W445-L449 WeakPolarHBondContact O-CG 3.46Å; W445-L449 PolarHBondContact O-N 3.11Å; E447-L449 VanDerWaalsContact C-N 3.32Å; E447-L449 PolarHBondContact O-N 2.87Å; L449-A452 PolarHBondContact O-N 2.93Å; L449-A453 WeakPolarHBondContact O-CB 3.49Å; L449-A453 PolarHBondContact O-N 3.39Å
450	R	84.4	Confident	74.1	Confident	99 Å²	99	64.5 Å²	64.5	37%	0.374	34%	0.344	S	S	.	.	H	α-helix	trans	-64.5	-40.5	175.1	-73.3	167.9	-179.1	168.3	1.2	111.6	V411 M446 E447 N454	V411-R450 HydrophobicContact CB-CG 4.21Å; V411-R450 HydrophobicContact CG2-CG 4.34Å; V411-R450 PolarHBondContact O-NE 3.3Å; V411-R450 PolarHBondContact O-NH2 3.02Å; M446-R450 WeakPolarHBondContact O-CB 3.3Å; M446-R450 WeakPolarHBondContact O-CD 3.48Å; M446-R450 WeakPolarHBondContact O-CG 3.48Å; M446-R450 PolarHBondContact O-N 3.15Å; E447-R450 PolarHBondContact O-N 3.29Å; R450-N454 VanDerWaalsContact O-CB 3.28Å; R450-N454 WeakPolarHBondContact O-CB 3.18Å; R450-N454 PolarHBondContact O-N 3.39Å; R450-N454 PolarHBondContact O-ND2 3.39Å
451	A	81.2	Confident	72.3	Confident	62 Å²	62	64 Å²	64	51%	0.512	34%	0.342	S	S	.	.	H	α-helix	trans	-63.1	-46.6	177	0	0	0	0	0	111.5	E447 A448 N454 A455	E447-A451 VanDerWaalsContact O-CB 3.3Å; E447-A451 WeakPolarHBondContact O-CB 3.49Å; E447-A451 PolarHBondContact O-N 3.08Å; A448-A451 PolarHBondContact O-N 2.93Å; A451-N454 PolarHBondContact O-N 3.23Å; A451-A455 WeakPolarHBondContact O-CB 3.29Å; A451-A455 PolarHBondContact O-N 3.38Å
452	A	79.1	Confident	69.9	Low	5 Å²	5	65.7 Å²	65.7	4%	0.041	36%	0.36	C	S	.	.	H	α-helix	trans	-61.1	-49.7	175.7	0	0	0	0	0	112	L361 L382 V405 A448 L449 N454 A455	L361-A452 HydrophobicContact CD1-CB 3.95Å; L382-A452 HydrophobicContact CD1-CB 4.47Å; L382-A452 HydrophobicContact CD2-CB 4.49Å; V405-A452 HydrophobicContact CG1-CB 3.82Å; A448-A452 WeakPolarHBondContact O-CB 3.48Å; A448-A452 PolarHBondContact O-N 2.89Å; L449-A452 PolarHBondContact O-N 2.93Å; A452-N454 PolarHBondContact O-N 2.83Å; A452-A455 PolarHBondContact O-N 2.67Å
453	A	79.4	Confident	67.7	Low	6 Å²	6	73.2 Å²	73.2	5%	0.05	40%	0.399	C	S	.	.	H	α-helix	trans	-66.2	-21.5	179.8	0	0	0	0	0	114.3	V405 C408 L449 R457	V405-A453 HydrophobicContact CG1-CB 3.89Å; C408-A453 HydrophobicContact CB-CB 4.26Å; L449-A453 WeakPolarHBondContact O-CB 3.49Å; L449-A453 PolarHBondContact O-N 3.39Å; A453-R457 VanDerWaalsContact O-CD 3.24Å; A453-R457 WeakPolarHBondContact O-CD 3.11Å; A453-R457 VanDerWaalsContact O-CG 3.26Å; A453-R457 WeakPolarHBondContact O-CG 3.38Å; A453-R457 PolarHBondContact O-NE 3.37Å
454	N	75.3	Confident	65.3	Low	83 Å²	83	78.1 Å²	78.1	44%	0.444	42%	0.422	S	S	.	.	H	α-helix	trans	-89.9	-30.8	174.4	-71.5	-19.8	0	0	0	112.6	R450 A451 A452 T456 R457 N458	R450-N454 VanDerWaalsContact O-CB 3.28Å; R450-N454 WeakPolarHBondContact O-CB 3.18Å; R450-N454 PolarHBondContact O-N 3.39Å; R450-N454 PolarHBondContact O-ND2 3.39Å; A451-N454 PolarHBondContact O-N 3.23Å; A452-N454 PolarHBondContact O-N 2.83Å; N454-T456 VanDerWaalsContact C-N 3.35Å; N454-T456 PolarHBondContact O-N 3.31Å; N454-R457 PolarHBondContact O-N 3.01Å; N454-R457 VanDerWaalsContact O-N 3.15Å; N454-N458 PolarHBondContact O-N 3.04Å
455	A	68.5	Low	62.8	Low	60 Å²	60	81.8 Å²	81.8	50%	0.496	45%	0.447	S	S	.	.	H	α-helix	trans	-60.2	-42	179.7	0	0	0	0	0	112.4	A451 A452 L459	A451-A455 WeakPolarHBondContact O-CB 3.29Å; A451-A455 PolarHBondContact O-N 3.38Å; A452-A455 PolarHBondContact O-N 2.67Å; A455-L459 PolarHBondContact O-N 2.87Å
456	T	58.8	Low	60.1	Low	49 Å²	49	88.2 Å²	88.2	30%	0.301	49%	0.488	S	S	.	.	H	α-helix	trans	-77.3	-21.8	176	45.4	0	0	0	0	113.7	D406 N454	D406-T456 WeakPolarHBondContact OD1-CB 3.4Å; D406-T456 VanDerWaalsContact OD1-CG2 3.23Å; D406-T456 WeakPolarHBondContact OD1-CG2 3.31Å; D406-T456 PolarHBondContact OD1-OG1 3.18Å; N454-T456 VanDerWaalsContact C-N 3.35Å; N454-T456 PolarHBondContact O-N 3.31Å
457	R	63.2	Low	57.7	Low	118 Å²	118	95.2 Å²	95.2	45%	0.445	53%	0.525	S	S	.	.	H	α-helix	trans	-69.5	-42.3	170.2	-69.7	173.3	-174	-141.7	2.6	112	C408 A453 N454 L459 G460 Q461	C408-R457 PolarHBondContact O-NH2 3.09Å; A453-R457 VanDerWaalsContact O-CD 3.24Å; A453-R457 WeakPolarHBondContact O-CD 3.11Å; A453-R457 VanDerWaalsContact O-CG 3.26Å; A453-R457 WeakPolarHBondContact O-CG 3.38Å; A453-R457 PolarHBondContact O-NE 3.37Å; N454-R457 PolarHBondContact O-N 3.01Å; N454-R457 VanDerWaalsContact O-N 3.15Å; R457-L459 VanDerWaalsContact C-N 3.29Å; R457-L459 PolarHBondContact O-N 3.37Å; R457-G460 PolarHBondContact O-N 3.02Å; R457-Q461 PolarHBondContact O-N 3.23Å
458	N	50.5	Low	55.1	Low	111 Å²	111	101.4 Å²	101.4	59%	0.594	54%	0.544	S	S	*	.	H	α-helix	trans	-61.2	-37.4	177.7	-70.1	-10	0	0	0	112.1	N454 G460 Q461	N454-N458 PolarHBondContact O-N 3.04Å; N458-G460 PolarHBondContact O-N 2.93Å; N458-Q461 PolarHBondContact O-N 3.17Å
459	L	48.6	Very low	52.5	Low	160 Å²	160	107.3 Å²	107.3	84%	0.838	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	-16.7	176.2	-158.4	72.3	0	0	0	113.4	A455 R457	A455-L459 PolarHBondContact O-N 2.87Å; R457-L459 VanDerWaalsContact C-N 3.29Å; R457-L459 PolarHBondContact O-N 3.37Å
460	G	44.3	Very low	50.1	Low	62 Å²	62	116.5 Å²	116.5	64%	0.639	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.6	1.4	176.7	0	0	0	0	0	115.2	R457 N458	R457-G460 PolarHBondContact O-N 3.02Å; N458-G460 PolarHBondContact O-N 2.93Å
461	Q	38.7	Very low	48.1	Very low	136 Å²	136	117.7 Å²	117.7	64%	0.636	63%	0.633	S	S	*	*			trans	-105.4	-2.2	-168.1	-114.2	174.3	-11.6	0	0	116.1	R457 N458 L463	R457-Q461 PolarHBondContact O-N 3.23Å; N458-Q461 PolarHBondContact O-N 3.17Å; Q461-L463 PolarHBondContact O-N 3.35Å
462	D	31.2	Very low	45.5	Very low	161 Å²	161	118.4 Å²	118.4	86%	0.861	65%	0.646	S	S	*	*			trans	-83.2	42.4	178.5	-152.1	20.3	0	0	0	112.9
463	L	38.1	Very low	43.3	Very low	158 Å²	158	125.9 Å²	125.9	83%	0.827	69%	0.685	S	S	*	*			trans	-141.1	43.7	-175.5	-111	170	0	0	0	112.7	Q461 V465	Q461-L463 PolarHBondContact O-N 3.35Å; L463-V465 PolarHBondContact O-N 3.13Å
464	Q	29.7	Very low	40.9	Very low	177 Å²	177	136.9 Å²	136.9	83%	0.827	73%	0.725	S	S	*	*			trans	-81	95.1	167.6	-71.8	-156.7	2	0	0	112.2
465	V	31.7	Very low	39.2	Very low	123 Å²	123	138.6 Å²	138.6	75%	0.745	74%	0.741	S	S	*	*			trans	33.2	105.1	143.7	-169.6	0	0	0	0	117.9	L463	L463-V465 PolarHBondContact O-N 3.13Å
466	T	28.8	Very low	37.3	Very low	146 Å²	146	146.3 Å²	146.3	90%	0.896	76%	0.764	S	S	*	*			trans	-128.4	146.5	149.7	-26.7	0	0	0	0	109.8
467	L	31.3	Very low	36.5	Very low	151 Å²	151	147.3 Å²	147.3	79%	0.791	78%	0.783	S	S	*	*			trans	-100.2	142.1	-167.8	-70.8	163.6	0	0	0	113.3
468	R	28.7	Very low	35.1	Very low	234 Å²	234	149.9 Å²	149.9	88%	0.883	80%	0.798	S	S	*	*			trans	66.5	151.1	173.7	-76.7	176.8	170.9	168.7	-3.8	114.2
469	N	29	Very low	34.4	Very low	147 Å²	147	149.4 Å²	149.4	79%	0.786	80%	0.795	S	S	*	*			cis	-140.6	-164.8	20.3	-112.4	-30	0	0	0	113.5
470	K	30.8	Very low	33.6	Very low	198 Å²	198	151.4 Å²	151.4	86%	0.861	80%	0.798	S	S	*	*			trans	-62.9	169.7	-172	-97.6	-172.9	175.8	-177.1	0	116.8
471	P	43.3	Very low	33.3	Very low	125 Å²	125	157.4 Å²	157.4	81%	0.812	80%	0.801	S	S	*	*			trans	-96.1	170.6	-149.8	39	-39.7	0	0	0	116.5
472	G	26.3	Very low	33	Very low	77 Å²	77	157.3 Å²	157.3	79%	0.794	80%	0.799	S	S	*	*			trans	-141.1	140	160.5	0	0	0	0	0	111.5
473	D	32.3	Very low	33	Very low	161 Å²	161	153.8 Å²	153.8	86%	0.861	79%	0.786	S	S	*	*			trans	-77.5	136.2	-179.5	-81.9	-63.7	0	0	0	113.4
474	R	29.1	Very low	33	Very low	238 Å²	238	153.1 Å²	153.1	90%	0.898	78%	0.777	S	S	*	*				-171.1	159.2	129.8	-100.1	148.9	-160.2	-101.3	0.3	112.7
475	P	39.5	Very low	33.3	Very low	119 Å²	119	152.1 Å²	152.1	77%	0.773	77%	0.765	S	S	*	*			trans	-97.5	111.2	-156.6	35	-33.6	0	0	0	115
476	F	30	Very low	33.4	Very low	222 Å²	222	152.7 Å²	152.7	97%	0.974	76%	0.76	S	S	*	*			trans	-99.2	109	159.9	-99.3	-91.3	0	0	0	110.7
477	G	41.5	Very low	34.5	Very low	69 Å²	69	149 Å²	149	71%	0.711	74%	0.741	S	S	*	*			trans	-164.8	75.2	-172.9	0	0	0	0	0	115.5
478	K	34.7	Very low	35.7	Very low	172 Å²	172	144.1 Å²	144.1	75%	0.748	72%	0.716	S	S	*	*	S	Bend	trans	-143.4	-47.2	163.2	-102.4	157	-174.8	177.6	0	113.3	R481	K478-R481 WeakPolarHBondContact O-CB 3.34Å; K478-R481 PolarHBondContact O-N 3.4Å
479	D	34.7	Very low	37.3	Very low	101 Å²	101	135.3 Å²	135.3	54%	0.54	69%	0.689	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.6	-33.9	-163.4	-56.5	-73.3	0	0	0	115.5	R481 K482	D479-R481 PolarHBondContact O-N 3.09Å; D479-K482 PolarHBondContact O-N 3.12Å; D479-K482 IonicContact OD1-NZ 3.35Å; D479-K482 PolarHBondContact OD1-NZ 3.35Å
480	F	32	Very low	39	Very low	203 Å²	203	132.8 Å²	132.8	89%	0.89	68%	0.679	S	S	*	*	H	α-helix	trans	-56.7	-14.1	165.1	-83.3	-76.4	0	0	0	113.6	K484	F480-K484 WeakPolarHBondContact O-CB 3.29Å
481	R	37.3	Very low	41.4	Very low	187 Å²	187	126.1 Å²	126.1	71%	0.706	66%	0.657	S	S	*	*	H	α-helix	trans	-85.7	-16.6	176.6	-139.3	178.6	-169.7	-166.6	2.1	113.6	K478 D479 R485	K478-R481 WeakPolarHBondContact O-CB 3.34Å; K478-R481 PolarHBondContact O-N 3.4Å; D479-R481 PolarHBondContact O-N 3.09Å; R481-R485 WeakPolarHBondContact O-CG 3.4Å
482	K	32.2	Very low	43.7	Very low	135 Å²	135	120.6 Å²	120.6	59%	0.587	62%	0.62	S	S	*	*	H	α-helix	trans	-82.1	-56.8	179.4	-69.2	172.5	-179.7	157.2	0	111.7	D479 K484 R485 Q486	D479-K482 PolarHBondContact O-N 3.12Å; D479-K482 IonicContact OD1-NZ 3.35Å; D479-K482 PolarHBondContact OD1-NZ 3.35Å; K482-K484 PolarHBondContact O-N 3.07Å; K482-R485 WeakPolarHBondContact O-CA 3.37Å; K482-R485 WeakPolarHBondContact O-CB 3.2Å; K482-R485 PolarHBondContact O-N 3.4Å; K482-Q486 PolarHBondContact O-N 3.49Å
483	S	32.1	Very low	46.8	Very low	86 Å²	86	120.8 Å²	120.8	60%	0.601	60%	0.603	S	S	*	*	H	α-helix	trans	-55.3	-41	177	171.2	0	0	0	0	111.9	R485 Q486 S487	S483-R485 VanDerWaalsContact C-N 3.26Å; S483-R485 PolarHBondContact O-N 3.47Å; S483-Q486 PolarHBondContact O-N 3.25Å; S483-S487 PolarHBondContact O-N 2.99Å
484	K	37.7	Very low	49.6	Very low	145 Å²	145	117.2 Å²	117.2	63%	0.63	59%	0.59	S	S	*	*	H	α-helix	trans	-72.8	-10.3	176.6	-157.7	164.6	-170.8	165.7	0	114.9	F480 K482 V488	F480-K484 WeakPolarHBondContact O-CB 3.29Å; K482-K484 PolarHBondContact O-N 3.07Å; K484-V488 WeakPolarHBondContact O-CG2 3.47Å
485	R	36	Very low	52.7	Low	155 Å²	155	107.3 Å²	107.3	59%	0.585	56%	0.555	S	S	*	*	H	α-helix	trans	-84	-44.2	169.1	-87.5	175.1	159.3	-167.7	-10.7	111.1	R481 K482 S483 S487 V488 T489	R481-R485 WeakPolarHBondContact O-CG 3.4Å; K482-R485 WeakPolarHBondContact O-CA 3.37Å; K482-R485 WeakPolarHBondContact O-CB 3.2Å; K482-R485 PolarHBondContact O-N 3.4Å; S483-R485 VanDerWaalsContact C-N 3.26Å; S483-R485 PolarHBondContact O-N 3.47Å; R485-S487 VanDerWaalsContact C-N 3.35Å; R485-S487 PolarHBondContact O-N 3.31Å; R485-V488 PolarHBondContact O-N 3.22Å; R485-V488 VanDerWaalsContact O-N 3.1Å; R485-T489 PolarHBondContact O-N 3.27Å; R485-T489 PolarHBondContact O-OG1 2.83Å
486	Q	33.5	Very low	55.3	Low	135 Å²	135	102.1 Å²	102.1	63%	0.631	52%	0.521	S	S	*	.	H	α-helix	trans	-59.7	-41.6	179.1	-77	170.4	-60.7	0	0	112.7	K482 S483 V488 T489 T490	K482-Q486 PolarHBondContact O-N 3.49Å; S483-Q486 PolarHBondContact O-N 3.25Å; Q486-V488 VanDerWaalsContact C-N 3.29Å; Q486-V488 PolarHBondContact O-N 3.04Å; Q486-T489 WeakPolarHBondContact CA-OG1 3.38Å; Q486-T489 PolarHBondContact O-N 3.08Å; Q486-T489 PolarHBondContact O-OG1 2.82Å; Q486-T490 PolarHBondContact O-N 2.95Å; Q486-T490 VanDerWaalsContact O-N 3.08Å; Q486-T490 PolarHBondContact O-OG1 3.14Å
487	S	52.8	Low	58.3	Low	70 Å²	70	92.4 Å²	92.4	49%	0.49	48%	0.48	S	S	.	.	H	α-helix	trans	-64.8	-32.4	176	57.9	0	0	0	0	113.4	S483 R485 S491	S483-S487 PolarHBondContact O-N 2.99Å; R485-S487 VanDerWaalsContact C-N 3.35Å; R485-S487 PolarHBondContact O-N 3.31Å; S487-S491 WeakPolarHBondContact O-CB 3.13Å; S487-S491 PolarHBondContact O-N 3.46Å; S487-S491 PolarHBondContact O-OG 3.22Å
488	V	56.8	Low	60.8	Low	47 Å²	47	92.9 Å²	92.9	29%	0.285	47%	0.469	S	S	.	.	H	α-helix	trans	-72.8	-44.3	175.4	173.7	0	0	0	0	111.1	K484 R485 Q486 T490 S491 F492	K484-V488 WeakPolarHBondContact O-CG2 3.47Å; R485-V488 PolarHBondContact O-N 3.22Å; R485-V488 VanDerWaalsContact O-N 3.1Å; Q486-V488 VanDerWaalsContact C-N 3.29Å; Q486-V488 PolarHBondContact O-N 3.04Å; V488-T490 PolarHBondContact O-N 2.9Å; V488-S491 WeakPolarHBondContact CA-OG 3.4Å; V488-S491 CarbonylContact O-C 3.5Å; V488-S491 PolarHBondContact O-N 2.79Å; V488-S491 VanDerWaalsContact O-N 3.16Å; V488-S491 PolarHBondContact O-OG 3.38Å; V488-F492 HydrophobicContact CG1-CD2 3.89Å; V488-F492 HydrophobicContact CG1-CE2 3.62Å; V488-F492 HydrophobicContact CG1-CG 4.5Å; V488-F492 HydrophobicContact CG1-CZ 4.03Å; V488-F492 PolarHBondContact O-N 2.93Å
489	T	62.3	Low	63.5	Low	50 Å²	50	88.2 Å²	88.2	31%	0.307	45%	0.452	S	S	.	.	H	α-helix	trans	-62	-41.9	178.2	48.1	0	0	0	0	112.2	R485 Q486 S491 F492 L493 F570	R485-T489 PolarHBondContact O-N 3.27Å; R485-T489 PolarHBondContact O-OG1 2.83Å; Q486-T489 WeakPolarHBondContact CA-OG1 3.38Å; Q486-T489 PolarHBondContact O-N 3.08Å; Q486-T489 PolarHBondContact O-OG1 2.82Å; T489-S491 VanDerWaalsContact C-N 3.34Å; T489-S491 PolarHBondContact O-N 3.05Å; T489-F492 PolarHBondContact O-N 2.95Å; T489-L493 WeakPolarHBondContact O-CG 3.39Å; T489-L493 PolarHBondContact O-N 3.14Å; T489-F570 HydrophobicContact CG2-CD2 4.26Å
490	T	64.7	Low	66.1	Low	94 Å²	94	85.3 Å²	85.3	58%	0.577	44%	0.439	S	S	*	.	H	α-helix	trans	-62.7	-40.9	174.1	-55.2	0	0	0	0	111.6	Q486 V488 F492 L493 S494	Q486-T490 PolarHBondContact O-N 2.95Å; Q486-T490 VanDerWaalsContact O-N 3.08Å; Q486-T490 PolarHBondContact O-OG1 3.14Å; V488-T490 PolarHBondContact O-N 2.9Å; T490-F492 PolarHBondContact O-N 3.34Å; T490-L493 PolarHBondContact O-N 2.87Å; T490-S494 PolarHBondContact O-N 3Å; T490-S494 VanDerWaalsContact O-N 3.14Å; T490-S494 PolarHBondContact O-OG 3.09Å
491	S	81.3	Confident	68.8	Low	57 Å²	57	82.4 Å²	82.4	40%	0.399	43%	0.432	S	S	.	.	H	α-helix	trans	-69.7	-15.5	177.2	76.7	0	0	0	0	114.9	S487 V488 T489	S487-S491 WeakPolarHBondContact O-CB 3.13Å; S487-S491 PolarHBondContact O-N 3.46Å; S487-S491 PolarHBondContact O-OG 3.22Å; V488-S491 WeakPolarHBondContact CA-OG 3.4Å; V488-S491 CarbonylContact O-C 3.5Å; V488-S491 PolarHBondContact O-N 2.79Å; V488-S491 VanDerWaalsContact O-N 3.16Å; V488-S491 PolarHBondContact O-OG 3.38Å; T489-S491 VanDerWaalsContact C-N 3.34Å; T489-S491 PolarHBondContact O-N 3.05Å
492	F	91.4	Very high	71.2	Confident	10 Å²	10	79.2 Å²	79.2	4%	0.044	43%	0.425	C	S	.	.	H	α-helix	trans	-96.9	-33.4	174.3	-75.5	-13.4	0	0	0	112.3	V488 T489 T490 I495 L496 Y531 Q566 A567 F570	V488-F492 HydrophobicContact CG1-CD2 3.89Å; V488-F492 HydrophobicContact CG1-CE2 3.62Å; V488-F492 HydrophobicContact CG1-CG 4.5Å; V488-F492 HydrophobicContact CG1-CZ 4.03Å; V488-F492 PolarHBondContact O-N 2.93Å; T489-F492 PolarHBondContact O-N 2.95Å; T490-F492 PolarHBondContact O-N 3.34Å; F492-I495 HydrophobicContact CD1-CD1 4.19Å; F492-I495 VanDerWaalsContact O-CG1 3.3Å; F492-I495 WeakPolarHBondContact O-CG1 3.44Å; F492-I495 PolarHBondContact O-N 3.12Å; F492-L496 PolarHBondContact O-N 2.61Å; F492-Y531 HydrophobicContact CB-CE1 3.99Å; F492-Y531 HydrophobicContact CD1-CE1 4.15Å; F492-Y531 HydrophobicContact CG-CE1 4.06Å; F492-Y531 PolarHBondContact O-OH 3.19Å; F492-Q566 HydrophobicContact CE2-CB 4.14Å; F492-Q566 HydrophobicContact CZ-CB 4.49Å; F492-A567 HydrophobicContact CE2-CB 4.33Å; F492-A567 HydrophobicContact CZ-CB 4.4Å; F492-F570 HydrophobicContact CB-CD1 3.68Å; F492-F570 HydrophobicContact CB-CD2 4.05Å; F492-F570 HydrophobicContact CB-CE1 3.73Å; F492-F570 HydrophobicContact CB-CE2 4.08Å; F492-F570 HydrophobicContact CB-CG 3.85Å; F492-F570 HydrophobicContact CB-CZ 3.93Å; F492-F570 HydrophobicContact CD2-CB 3.8Å; F492-F570 HydrophobicContact CD2-CD1 4.14Å; F492-F570 HydrophobicContact CD2-CD2 4.44Å; F492-F570 AromaticContact CD2-CG 3.84Å; F492-F570 HydrophobicContact CD2-CG 3.84Å; F492-F570 HydrophobicContact CE2-CB 4.48Å; F492-F570 HydrophobicContact CG-CD1 4.31Å; F492-F570 HydrophobicContact CG-CG 4.34Å
493	L	91.9	Very high	73.4	Confident	81 Å²	81	79.9 Å²	79.9	42%	0.424	42%	0.424	S	S	.	.	H	α-helix	trans	-60.9	-44	170.4	-77.7	163.9	0	0	0	111.6	T489 T490 I495 L496 F570 V574 L579	T489-L493 WeakPolarHBondContact O-CG 3.39Å; T489-L493 PolarHBondContact O-N 3.14Å; T490-L493 PolarHBondContact O-N 2.87Å; L493-I495 PolarHBondContact O-N 3.3Å; L493-L496 WeakPolarHBondContact O-CB 3.47Å; L493-L496 PolarHBondContact O-N 3Å; L493-L496 VanDerWaalsContact O-N 3.09Å; L493-F570 HydrophobicContact CB-CZ 4.46Å; L493-F570 HydrophobicContact CD2-CE2 4.11Å; L493-F570 HydrophobicContact CD2-CZ 3.79Å; L493-F570 HydrophobicContact CG-CE2 3.82Å; L493-F570 HydrophobicContact CG-CZ 3.76Å; L493-V574 HydrophobicContact CD2-CG1 4.37Å; L493-L579 HydrophobicContact CD2-CD1 3.89Å
494	S	90.9	Very high	75.9	Confident	86 Å²	86	76.8 Å²	76.8	60%	0.601	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-2.6	-179	63.5	0	0	0	0	115.4	T490	T490-S494 PolarHBondContact O-N 3Å; T490-S494 VanDerWaalsContact O-N 3.14Å; T490-S494 PolarHBondContact O-OG 3.09Å
495	I	93.2	Very high	78.3	Confident	29 Å²	29	71.3 Å²	71.3	15%	0.149	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.2	11.6	174	62.8	169.4	0	0	0	113	F492 L493 T497 T498 Y531	F492-I495 HydrophobicContact CD1-CD1 4.19Å; F492-I495 VanDerWaalsContact O-CG1 3.3Å; F492-I495 WeakPolarHBondContact O-CG1 3.44Å; F492-I495 PolarHBondContact O-N 3.12Å; L493-I495 PolarHBondContact O-N 3.3Å; I495-T497 PolarHBondContact O-N 3.3Å; I495-T498 PolarHBondContact O-N 3.44Å; I495-T498 VanDerWaalsContact O-O 3.14Å; I495-Y531 HydrophobicContact CD1-CD1 4.19Å; I495-Y531 HydrophobicContact CD1-CE1 3.84Å; I495-Y531 HydrophobicContact CG1-CE1 3.95Å
496	L	94.7	Very high	80.8	Confident	11 Å²	11	68.5 Å²	68.5	6%	0.058	38%	0.383	C	S	.	.	S	Bend	trans	-54.6	-52.7	-174.7	-171.6	71.4	0	0	0	112	F492 L493 Y531 P549 A550 F570 L571 V574 L579 I580	F492-L496 PolarHBondContact O-N 2.61Å; L493-L496 WeakPolarHBondContact O-CB 3.47Å; L493-L496 PolarHBondContact O-N 3Å; L493-L496 VanDerWaalsContact O-N 3.09Å; L496-Y531 VanDerWaalsContact CA-OH 3.28Å; L496-Y531 WeakPolarHBondContact CA-OH 3.42Å; L496-P549 HydrophobicContact CD1-CB 4.26Å; L496-P549 HydrophobicContact CD1-CG 3.89Å; L496-P549 HydrophobicContact CG-CB 4.31Å; L496-P549 HydrophobicContact CG-CG 4.48Å; L496-P549 WeakPolarHBondContact O-CB 3.25Å; L496-A550 PolarHBondContact O-N 2.87Å; L496-F570 HydrophobicContact CD1-CE1 4.26Å; L496-L571 HydrophobicContact CD1-CD2 4.15Å; L496-V574 HydrophobicContact CD1-CG2 4.33Å; L496-L579 HydrophobicContact CD2-CB 3.71Å; L496-L579 HydrophobicContact CD2-CD1 4.09Å; L496-I580 HydrophobicContact CD2-CG1 4.13Å
497	T	93.8	Very high	83.3	Confident	18 Å²	18	66.4 Å²	66.4	11%	0.11	38%	0.38	C	S	.	.	S	Bend	trans	-96.7	-4.5	-180	51	0	0	0	0	113.5	I495 A550 H554 I580 E585	I495-T497 PolarHBondContact O-N 3.3Å; T497-A550 VanDerWaalsContact O-CB 3.31Å; T497-A550 WeakPolarHBondContact O-CB 3.42Å; T497-H554 PolarHBondContact O-CD2 3.18Å; T497-H554 VanDerWaalsContact O-CD2 3.23Å; T497-H554 PolarHBondContact O-NE2 2.89Å; T497-I580 HydrophobicContact CG2-CG1 4.23Å; T497-I580 HydrophobicContact CG2-CG2 4.34Å; T497-E585 WeakPolarHBondContact CB-OE1 3.46Å; T497-E585 WeakPolarHBondContact CB-OE2 3.22Å; T497-E585 HydrophobicContact CG2-CG 3.95Å; T497-E585 WeakPolarHBondContact CG2-OE1 3.4Å; T497-E585 VanDerWaalsContact OG1-CD 3.23Å; T497-E585 PolarHBondContact OG1-OE1 3.42Å; T497-E585 PolarHBondContact OG1-OE2 2.89Å
498	T	93.2	Very high	85.1	Confident	78 Å²	78	64 Å²	64	48%	0.479	36%	0.361	S	S	.	.	S	Bend	trans	-93.8	130.3	-179.1	-63.1	0	0	0	0	112.1	I495 S500 A550	I495-T498 PolarHBondContact O-N 3.44Å; I495-T498 VanDerWaalsContact O-O 3.14Å; T498-S500 PolarHBondContact O-N 2.91Å; T498-A550 VanDerWaalsContact C-CB 3.44Å; T498-A550 WeakPolarHBondContact O-CB 3.33Å
499	L	91.4	Very high	86.7	Confident	75 Å²	75	65.8 Å²	65.8	39%	0.393	38%	0.375	S	S	.	.			trans	-70.5	102.4	178	-69.9	171	0	0	0	111.7	L501 A550 R551 H554	L499-L501 PolarHBondContact O-N 3.19Å; L499-A550 HydrophobicContact CD2-CB 3.82Å; L499-A550 HydrophobicContact CG-CB 4.18Å; L499-R551 HydrophobicContact CD2-CB 4.43Å; L499-R551 HydrophobicContact CD2-CG 3.69Å; L499-H554 HydrophobicContact CD1-CB 4.24Å
500	S	88.9	Confident	88.1	Confident	39 Å²	39	67.1 Å²	67.1	27%	0.273	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-67.4	117	174.7	-69.8	0	0	0	0	112.5	T498 Y531	T498-S500 PolarHBondContact O-N 2.91Å; S500-Y531 VanDerWaalsContact CB-O 3.24Å; S500-Y531 WeakPolarHBondContact CB-O 3.44Å; S500-Y531 PolarHBondContact OG-O 3.31Å
501	L	87.8	Confident	89.4	Confident	142 Å²	142	67.2 Å²	67.2	74%	0.743	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-81.9	153.2	169.2	-59.5	179.1	0	0	0	111.5	L499 R503	L499-L501 PolarHBondContact O-N 3.19Å; L501-R503 PolarHBondContact O-N 2.68Å
502	E	88.4	Confident	89.9	Confident	120 Å²	120	64.5 Å²	64.5	56%	0.561	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-65.9	121.4	171.9	-64.3	-155.1	-170.1	0	0	111.2	V528 Y535	E502-V528 HydrophobicContact CG-CG1 3.92Å; E502-Y535 PolarHBondContact OE2-OH 3.01Å
503	R	77.9	Confident	90	Very high	150 Å²	150	65.5 Å²	65.5	57%	0.566	36%	0.36	S	S	*	.			trans	-87.6	-5.1	-179.5	-62.5	-173.4	178.2	-155.4	-1.5	114.1	L501 V507 G533 W534	L501-R503 PolarHBondContact O-N 2.68Å; R503-V507 HydrophobicContact CB-CB 4.41Å; R503-V507 HydrophobicContact CB-CG1 4.39Å; R503-V507 WeakPolarHBondContact O-CG2 3.4Å; R503-G533 PolarHBondContact N-O 2.82Å; R503-W534 HydrophobicContact CB-CZ3 4.27Å
504	G	85.6	Confident	89.9	Confident	21 Å²	21	62.6 Å²	62.6	22%	0.216	35%	0.35	C	S	.	.			trans	74.2	156.2	-176.6	0	0	0	0	0	114.1	T506 V507	G504-T506 VanDerWaalsContact C-N 3.29Å; G504-T506 PolarHBondContact O-N 3.35Å; G504-V507 PolarHBondContact O-N 2.95Å
505	L	88.1	Confident	89.9	Confident	29 Å²	29	60.7 Å²	60.7	15%	0.152	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-21.6	-171.1	-164.5	62	0	0	0	114	Q508 F510 I519 A526 Y535	L505-Q508 HydrophobicContact CD1-CG 4.29Å; L505-Q508 WeakPolarHBondContact O-CG 3.14Å; L505-F510 HydrophobicContact CB-CD1 4.45Å; L505-F510 HydrophobicContact CB-CE1 4.47Å; L505-F510 HydrophobicContact CD2-CD1 3.64Å; L505-F510 HydrophobicContact CD2-CE1 4.04Å; L505-F510 HydrophobicContact CG-CD1 3.74Å; L505-F510 HydrophobicContact CG-CE1 4.21Å; L505-F510 HydrophobicContact CG-CG 4.4Å; L505-F510 PolarHBondContact O-N 2.93Å; L505-I519 HydrophobicContact CD1-CD1 3.75Å; L505-I519 HydrophobicContact CD1-CG1 4.02Å; L505-A526 HydrophobicContact CD1-CB 4.17Å; L505-A526 HydrophobicContact CD2-CB 4.35Å; L505-Y535 HydrophobicContact CD1-CD1 3.99Å; L505-Y535 HydrophobicContact CD1-CG 3.82Å
506	T	87.6	Confident	89.9	Confident	97 Å²	97	64.3 Å²	64.3	60%	0.595	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-40.1	177.9	44.5	0	0	0	0	112.8	G504 Q508 S509 F510	G504-T506 VanDerWaalsContact C-N 3.29Å; G504-T506 PolarHBondContact O-N 3.35Å; T506-Q508 PolarHBondContact O-N 2.83Å; T506-S509 WeakPolarHBondContact O-CA 3.25Å; T506-S509 PolarHBondContact O-N 3.03Å; T506-F510 HydrophobicContact CG2-CE2 3.91Å; T506-F510 HydrophobicContact CG2-CZ 3.76Å
507	V	87.4	Confident	89.7	Confident	91 Å²	91	71.8 Å²	71.8	55%	0.552	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-25.8	-177.9	176.3	0	0	0	0	112.2	R503 G504 W534	R503-V507 HydrophobicContact CB-CB 4.41Å; R503-V507 HydrophobicContact CB-CG1 4.39Å; R503-V507 WeakPolarHBondContact O-CG2 3.4Å; G504-V507 PolarHBondContact O-N 2.95Å; V507-W534 HydrophobicContact CG1-CH2 4.14Å; V507-W534 HydrophobicContact CG1-CZ3 4.01Å
508	Q	89.8	Confident	89.6	Confident	19 Å²	19	74.5 Å²	74.5	9%	0.089	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	22.9	172.8	57	-175.6	99.3	0	0	113.4	L505 T506 F510 K511 W534 Y535	L505-Q508 HydrophobicContact CD1-CG 4.29Å; L505-Q508 WeakPolarHBondContact O-CG 3.14Å; T506-Q508 PolarHBondContact O-N 2.83Å; Q508-F510 PolarHBondContact O-N 3.15Å; Q508-F510 VanDerWaalsContact O-N 3.09Å; Q508-K511 PolarHBondContact NE2-O 2.91Å; Q508-K511 PolarHBondContact O-N 3.13Å; Q508-W534 HydrophobicContact CB-CE3 4.06Å; Q508-W534 HydrophobicContact CB-CZ3 4Å; Q508-W534 HydrophobicContact CG-CE3 4.48Å; Q508-Y535 PolarHBondContact NE2-O 2.75Å
509	S	90.7	Very high	89.5	Confident	84 Å²	84	71.2 Å²	71.2	59%	0.587	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	36.3	177.7	-47.2	0	0	0	0	114.3	T506 K511	T506-S509 WeakPolarHBondContact O-CA 3.25Å; T506-S509 PolarHBondContact O-N 3.03Å; S509-K511 PolarHBondContact O-N 3.24Å
510	F	91.6	Very high	89.1	Confident	79 Å²	79	68.4 Å²	68.4	35%	0.346	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	24.2	-174.3	-60.7	-93.7	0	0	0	115.2	L505 T506 Q508 P518 I519 L521	L505-F510 HydrophobicContact CB-CD1 4.45Å; L505-F510 HydrophobicContact CB-CE1 4.47Å; L505-F510 HydrophobicContact CD2-CD1 3.64Å; L505-F510 HydrophobicContact CD2-CE1 4.04Å; L505-F510 HydrophobicContact CG-CD1 3.74Å; L505-F510 HydrophobicContact CG-CE1 4.21Å; L505-F510 HydrophobicContact CG-CG 4.4Å; L505-F510 PolarHBondContact O-N 2.93Å; T506-F510 HydrophobicContact CG2-CE2 3.91Å; T506-F510 HydrophobicContact CG2-CZ 3.76Å; Q508-F510 PolarHBondContact O-N 3.15Å; Q508-F510 VanDerWaalsContact O-N 3.09Å; F510-P518 CarbonylContact O-C 3.56Å; F510-P518 VanDerWaalsContact O-CA 3.27Å; F510-P518 WeakPolarHBondContact O-CA 3.33Å; F510-I519 WeakPolarHBondContact O-CG1 3.39Å; F510-I519 PolarHBondContact O-N 3.49Å; F510-L521 HydrophobicContact CD1-CD1 4.5Å; F510-L521 HydrophobicContact CE1-CD1 4Å; F510-L521 HydrophobicContact CE1-CG 4.23Å; F510-L521 HydrophobicContact CZ-CD1 4.37Å
511	K	91.8	Very high	88.5	Confident	96 Å²	96	74.4 Å²	74.4	42%	0.417	39%	0.394	S	S	.	.	B	Isolated β-bridge	trans	-109.2	139.8	177.4	-65.9	170.9	-172.3	172.2	0	111.3	Q508 S509 A513 R517	Q508-K511 PolarHBondContact NE2-O 2.91Å; Q508-K511 PolarHBondContact O-N 3.13Å; S509-K511 PolarHBondContact O-N 3.24Å; K511-A513 PolarHBondContact O-N 2.88Å; K511-R517 CarbonylContact C-O 3.4Å; K511-R517 WeakPolarHBondContact CA-O 3.32Å
512	C	92.7	Very high	87.8	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	40%	0.395	C	S	.	.			trans	-60.5	124.4	174.9	170.3	0	0	0	0	110.6	G514 C515 Q516 R517 I519 C537	C512-G514 VanDerWaalsContact C-N 3.28Å; C512-G514 PolarHBondContact O-N 2.87Å; C512-C515 PolarHBondContact O-N 2.84Å; C512-Q516 WeakPolarHBondContact O-CA 3.44Å; C512-Q516 PolarHBondContact O-N 3.49Å; C512-Q516 PolarHBondContact O-NE2 2.93Å; C512-R517 WeakPolarHBondContact CB-O 3.42Å; C512-R517 PolarHBondContact N-O 2.89Å; C512-I519 HydrophobicContact CB-CD1 4.01Å; C512-I519 HydrophobicContact CB-CG1 4.4Å; C512-I519 HydrophobicContact CB-CG2 4.13Å; C512-C537 HydrophobicContact CB-CB 4.27Å; C512-C537 PolarHBondContact SG-N 3.36Å
513	A	91.8	Very high	87	Confident	30 Å²	30	71.1 Å²	71.1	25%	0.248	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-44.5	-178.5	0	0	0	0	0	112.3	K511 Q516 W534 Y535 Y536	K511-A513 PolarHBondContact O-N 2.88Å; A513-Q516 PolarHBondContact O-NE2 2.79Å; A513-W534 HydrophobicContact CB-CB 3.93Å; A513-W534 HydrophobicContact CB-CG 4.4Å; A513-Y535 PolarHBondContact N-O 2.64Å; A513-Y535 VanDerWaalsContact N-O 3.13Å; A513-Y536 HydrophobicContact CB-CD1 4.37Å; A513-Y536 HydrophobicContact CB-CE1 3.91Å; A513-Y536 HydrophobicContact CB-CE2 4.32Å
514	G	90.3	Very high	86.9	Confident	20 Å²	20	66.2 Å²	66.2	21%	0.206	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-25.3	-174.9	0	0	0	0	0	117.2	C512 Q566	C512-G514 VanDerWaalsContact C-N 3.28Å; C512-G514 PolarHBondContact O-N 2.87Å; G514-Q566 PolarHBondContact O-NE2 3.01Å
515	C	91.9	Very high	86.9	Confident	46 Å²	46	74 Å²	74	31%	0.311	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.1	3.4	-177.6	73.2	0	0	0	0	115.8	C512 R517 C537 C540	C512-C515 PolarHBondContact O-N 2.84Å; C515-R517 PolarHBondContact O-N 2.91Å; C515-C537 PolarHBondContact SG-SG 2.91Å; C515-C540 VanDerWaalsContact SG-SG 3.68Å
516	Q	92	Very high	87.1	Confident	105 Å²	105	74 Å²	74	49%	0.491	42%	0.418	S	S	.	.			trans	59.9	5.5	173.9	-58.4	-63.8	-44	0	0	116.4	C512 A513	C512-Q516 WeakPolarHBondContact O-CA 3.44Å; C512-Q516 PolarHBondContact O-N 3.49Å; C512-Q516 PolarHBondContact O-NE2 2.93Å; A513-Q516 PolarHBondContact O-NE2 2.79Å
517	R	90.6	Very high	87.4	Confident	168 Å²	168	72 Å²	72	63%	0.634	40%	0.402	S	S	*	.			trans	-68.3	142.7	170.6	-63.8	-178.1	-179	-174.2	-0.9	110.9	K511 C512 C515	K511-R517 CarbonylContact C-O 3.4Å; K511-R517 WeakPolarHBondContact CA-O 3.32Å; C512-R517 WeakPolarHBondContact CB-O 3.42Å; C512-R517 PolarHBondContact N-O 2.89Å; C515-R517 PolarHBondContact O-N 2.91Å
518	P	91.1	Very high	87.7	Confident	76 Å²	76	69.2 Å²	69.2	49%	0.494	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-62.7	143.1	175	25.8	-34.2	0	0	0	112.2	F510 N523	F510-P518 CarbonylContact O-C 3.56Å; F510-P518 VanDerWaalsContact O-CA 3.27Å; F510-P518 WeakPolarHBondContact O-CA 3.33Å; P518-N523 WeakPolarHBondContact CG-ND2 3.43Å
519	I	91.4	Very high	87.9	Confident	8 Å²	8	68.3 Å²	68.3	4%	0.041	38%	0.381	C	S	.	.			trans	-145.5	159.6	-176	49	167.8	0	0	0	111	L505 F510 C512 A526 C537	L505-I519 HydrophobicContact CD1-CD1 3.75Å; L505-I519 HydrophobicContact CD1-CG1 4.02Å; F510-I519 WeakPolarHBondContact O-CG1 3.39Å; F510-I519 PolarHBondContact O-N 3.49Å; C512-I519 HydrophobicContact CB-CD1 4.01Å; C512-I519 HydrophobicContact CB-CG1 4.4Å; C512-I519 HydrophobicContact CB-CG2 4.13Å; I519-A526 HydrophobicContact CB-CB 4.36Å; I519-A526 HydrophobicContact CD1-CB 3.93Å; I519-A526 HydrophobicContact CG1-CB 4.47Å; I519-C537 HydrophobicContact CG2-CB 3.59Å
520	G	84.4	Confident	88.2	Confident	17 Å²	17	66.2 Å²	66.2	18%	0.175	37%	0.366	C	S	.	.	S	Bend	trans	99.6	-135.8	-179.3	0	0	0	0	0	112.6	S522 N523 G524	G520-S522 VanDerWaalsContact C-N 3.31Å; G520-S522 PolarHBondContact O-N 2.81Å; G520-N523 PolarHBondContact O-N 3.16Å; G520-G524 PolarHBondContact N-O 2.86Å
521	L	75.1	Confident	88.4	Confident	164 Å²	164	62.7 Å²	62.7	86%	0.859	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-23.8	-56.5	-164.7	-67	167.9	0	0	0	116.5	F510	F510-L521 HydrophobicContact CD1-CD1 4.5Å; F510-L521 HydrophobicContact CE1-CD1 4Å; F510-L521 HydrophobicContact CE1-CG 4.23Å; F510-L521 HydrophobicContact CZ-CD1 4.37Å
522	S	73.6	Confident	88.4	Confident	108 Å²	108	58.2 Å²	58.2	76%	0.755	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.6	-5.6	178.4	50.4	0	0	0	0	114.6	G520	G520-S522 VanDerWaalsContact C-N 3.31Å; G520-S522 PolarHBondContact O-N 2.81Å
523	N	71.4	Confident	88.5	Confident	85 Å²	85	58.4 Å²	58.4	46%	0.455	33%	0.333	S	S	.	.	S	Bend	trans	-115.8	27.9	-160.9	-70.1	39.3	0	0	0	113.2	P518 G520	P518-N523 WeakPolarHBondContact CG-ND2 3.43Å; G520-N523 PolarHBondContact O-N 3.16Å
524	G	76.2	Confident	88.5	Confident	48 Å²	48	60.3 Å²	60.3	50%	0.495	33%	0.334	S	S	.	.			trans	88.2	157.2	178.1	0	0	0	0	0	113.9	G520 A526	G520-G524 PolarHBondContact N-O 2.86Å; G524-A526 PolarHBondContact O-N 2.81Å
525	K	86.1	Confident	88.7	Confident	183 Å²	183	61.6 Å²	61.6	80%	0.796	33%	0.333	S	S	*	.			trans	-61.1	121.1	-176	-65.3	-173.8	178.5	-176.3	0	110.9
526	A	91.6	Very high	88.8	Confident	29 Å²	29	59.6 Å²	59.6	24%	0.24	32%	0.319	C	S	.	.			trans	-76.3	152.4	168.8	0	0	0	0	0	110.4	L505 I519 G524 Y535 Y536	L505-A526 HydrophobicContact CD1-CB 4.17Å; L505-A526 HydrophobicContact CD2-CB 4.35Å; I519-A526 HydrophobicContact CB-CB 4.36Å; I519-A526 HydrophobicContact CD1-CB 3.93Å; I519-A526 HydrophobicContact CG1-CB 4.47Å; G524-A526 PolarHBondContact O-N 2.81Å; A526-Y535 HydrophobicContact CB-CD1 3.83Å; A526-Y536 WeakPolarHBondContact CA-O 3.35Å
527	K	93.1	Very high	88.9	Confident	57 Å²	57	55.3 Å²	55.3	25%	0.248	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	142.2	178.4	-59.3	-169.8	-176.3	178.6	0	111.3	Y535 Y536 H541 D543	K527-Y535 CarbonylContact O-C 3.52Å; K527-Y535 VanDerWaalsContact O-CA 3.31Å; K527-Y535 WeakPolarHBondContact O-CA 3.47Å; K527-Y536 PolarHBondContact N-O 2.98Å; K527-Y536 PolarHBondContact O-N 3.3Å; K527-H541 HydrophobicContact CB-CB 4.12Å; K527-H541 HydrophobicContact CD-CB 4.18Å; K527-H541 WeakPolarHBondContact CD-O 3.28Å; K527-H541 PolarHBondContact NZ-O 2.89Å; K527-D543 WeakPolarHBondContact CD-OD1 3.38Å; K527-D543 WeakPolarHBondContact CE-OD1 3.33Å; K527-D543 IonicContact NZ-OD1 3.86Å; K527-D543 PolarHBondContact NZ-OD1 2.72Å; K527-D543 IonicContact NZ-OD2 2.84Å; K527-D543 PolarHBondContact NZ-OD2 3.37Å
528	V	94.1	Very high	89	Confident	32 Å²	32	50.4 Å²	50.4	19%	0.194	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	133.5	-178.2	-175.2	0	0	0	0	111	E502 Y535 H541	E502-V528 HydrophobicContact CG-CG1 3.92Å; V528-Y535 HydrophobicContact CG2-CD1 3.7Å; V528-Y535 HydrophobicContact CG2-CD2 3.98Å; V528-Y535 HydrophobicContact CG2-CE1 3.41Å; V528-Y535 VanDerWaalsContact CG2-CE1 3.41Å; V528-Y535 HydrophobicContact CG2-CE2 3.64Å; V528-Y535 HydrophobicContact CG2-CG 3.98Å; V528-H541 PolarHBondContact O-NE2 3.03Å; V528-H541 VanDerWaalsContact O-NE2 3.09Å
529	C	95.3	Very high	89.1	Confident	0 Å²	0	51 Å²	51	0%	0	29%	0.293	C	S	.	.			trans	-83.8	114.7	171	177.2	0	0	0	0	110.3	Y531 S532 G533 W534 Y536 H541 S564	C529-Y531 PolarHBondContact O-N 3.38Å; C529-Y531 VanDerWaalsContact O-N 3.09Å; C529-S532 WeakPolarHBondContact CB-OG 3.31Å; C529-S532 PolarHBondContact O-N 3.14Å; C529-S532 VanDerWaalsContact O-N 3.14Å; C529-S532 PolarHBondContact SG-OG 2.63Å; C529-G533 PolarHBondContact O-N 3.02Å; C529-W534 PolarHBondContact N-O 2.68Å; C529-Y536 HydrophobicContact CB-CD2 3.83Å; C529-Y536 HydrophobicContact CB-CE2 3.42Å; C529-Y536 VanDerWaalsContact CB-CE2 3.42Å; C529-H541 WeakPolarHBondContact CA-NE2 3.23Å; C529-S564 PolarHBondContact SG-N 3.07Å
530	S	95.6	Very high	89.3	Confident	40 Å²	40	51.6 Å²	51.6	28%	0.28	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-11	-177.4	-57	0	0	0	0	115.1	K562	S530-K562 VanDerWaalsContact CB-O 3.32Å; S530-K562 WeakPolarHBondContact CB-O 3.27Å; S530-K562 PolarHBondContact N-O 2.69Å; S530-K562 PolarHBondContact OG-O 3.03Å
531	Y	95.6	Very high	89.8	Confident	4 Å²	4	50.9 Å²	50.9	2%	0.016	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-43	171.1	-179.3	-110.1	0	0	0	112.7	F492 I495 L496 S500 C529 I548 A567 F570 L571	F492-Y531 HydrophobicContact CB-CE1 3.99Å; F492-Y531 HydrophobicContact CD1-CE1 4.15Å; F492-Y531 HydrophobicContact CG-CE1 4.06Å; F492-Y531 PolarHBondContact O-OH 3.19Å; I495-Y531 HydrophobicContact CD1-CD1 4.19Å; I495-Y531 HydrophobicContact CD1-CE1 3.84Å; I495-Y531 HydrophobicContact CG1-CE1 3.95Å; L496-Y531 VanDerWaalsContact CA-OH 3.28Å; L496-Y531 WeakPolarHBondContact CA-OH 3.42Å; S500-Y531 VanDerWaalsContact CB-O 3.24Å; S500-Y531 WeakPolarHBondContact CB-O 3.44Å; S500-Y531 PolarHBondContact OG-O 3.31Å; C529-Y531 PolarHBondContact O-N 3.38Å; C529-Y531 VanDerWaalsContact O-N 3.09Å; Y531-I548 HydrophobicContact CD2-CD1 4.45Å; Y531-I548 HydrophobicContact CD2-CG2 4.38Å; Y531-A567 HydrophobicContact CD1-CB 3.91Å; Y531-A567 HydrophobicContact CG-CB 4.37Å; Y531-F570 HydrophobicContact CE1-CD1 4.16Å; Y531-F570 HydrophobicContact CE1-CE1 4.25Å; Y531-F570 WeakPolarHBondContact OH-CE1 3.36Å; Y531-L571 HydrophobicContact CD2-CD1 3.85Å; Y531-L571 HydrophobicContact CD2-CD2 4.19Å; Y531-L571 HydrophobicContact CD2-CG 4.44Å; Y531-L571 HydrophobicContact CE2-CD1 4.28Å; Y531-L571 HydrophobicContact CE2-CD2 3.76Å; Y531-L571 HydrophobicContact CE2-CG 4.4Å; Y531-L571 HydrophobicContact CG-CD1 4Å
532	S	93.2	Very high	90.7	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.021	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-4.4	-164.9	64.7	0	0	0	0	115.1	C529 W534 Y536	C529-S532 WeakPolarHBondContact CB-OG 3.31Å; C529-S532 PolarHBondContact O-N 3.14Å; C529-S532 VanDerWaalsContact O-N 3.14Å; C529-S532 PolarHBondContact SG-OG 2.63Å; S532-W534 PolarHBondContact O-N 3.29Å; S532-Y536 PolarHBondContact OG-OH 3.14Å
533	G	93.3	Very high	91.8	Very high	3 Å²	3	43.5 Å²	43.5	3%	0.031	25%	0.246	C	C	.	.			trans	68.7	-1.8	177	0	0	0	0	0	115.7	R503 C529	R503-G533 PolarHBondContact N-O 2.82Å; C529-G533 PolarHBondContact O-N 3.02Å
534	W	93.7	Very high	93	Very high	71 Å²	71	41.4 Å²	41.4	27%	0.269	24%	0.235	S	C	.	.			trans	-92.3	155.4	179.9	-63	107.1	0	0	0	112.7	R503 V507 Q508 A513 C529 S532 Y536	R503-W534 HydrophobicContact CB-CZ3 4.27Å; V507-W534 HydrophobicContact CG1-CH2 4.14Å; V507-W534 HydrophobicContact CG1-CZ3 4.01Å; Q508-W534 HydrophobicContact CB-CE3 4.06Å; Q508-W534 HydrophobicContact CB-CZ3 4Å; Q508-W534 HydrophobicContact CG-CE3 4.48Å; A513-W534 HydrophobicContact CB-CB 3.93Å; A513-W534 HydrophobicContact CB-CG 4.4Å; C529-W534 PolarHBondContact N-O 2.68Å; S532-W534 PolarHBondContact O-N 3.29Å; W534-Y536 HydrophobicContact CB-CE2 3.9Å; W534-Y536 VanDerWaalsContact O-CD2 3.23Å; W534-Y536 WeakPolarHBondContact O-CD2 3.49Å; W534-Y536 VanDerWaalsContact O-CE2 3.29Å; W534-Y536 WeakPolarHBondContact O-CE2 3.42Å
535	Y	93.9	Very high	94	Very high	47 Å²	47	42.5 Å²	42.5	18%	0.184	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	143.4	178.1	-68.2	-116.8	0	0	0	112.2	E502 L505 Q508 A513 A526 K527 V528	E502-Y535 PolarHBondContact OE2-OH 3.01Å; L505-Y535 HydrophobicContact CD1-CD1 3.99Å; L505-Y535 HydrophobicContact CD1-CG 3.82Å; Q508-Y535 PolarHBondContact NE2-O 2.75Å; A513-Y535 PolarHBondContact N-O 2.64Å; A513-Y535 VanDerWaalsContact N-O 3.13Å; A526-Y535 HydrophobicContact CB-CD1 3.83Å; K527-Y535 CarbonylContact O-C 3.52Å; K527-Y535 VanDerWaalsContact O-CA 3.31Å; K527-Y535 WeakPolarHBondContact O-CA 3.47Å; V528-Y535 HydrophobicContact CG2-CD1 3.7Å; V528-Y535 HydrophobicContact CG2-CD2 3.98Å; V528-Y535 HydrophobicContact CG2-CE1 3.41Å; V528-Y535 VanDerWaalsContact CG2-CE1 3.41Å; V528-Y535 HydrophobicContact CG2-CE2 3.64Å; V528-Y535 HydrophobicContact CG2-CG 3.98Å
536	Y	93.8	Very high	94.5	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.016	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	159	-175.3	-65.8	-100.5	0	0	0	110.9	A513 A526 K527 C529 S532 W534 C540	A513-Y536 HydrophobicContact CB-CD1 4.37Å; A513-Y536 HydrophobicContact CB-CE1 3.91Å; A513-Y536 HydrophobicContact CB-CE2 4.32Å; A526-Y536 WeakPolarHBondContact CA-O 3.35Å; K527-Y536 PolarHBondContact N-O 2.98Å; K527-Y536 PolarHBondContact O-N 3.3Å; C529-Y536 HydrophobicContact CB-CD2 3.83Å; C529-Y536 HydrophobicContact CB-CE2 3.42Å; C529-Y536 VanDerWaalsContact CB-CE2 3.42Å; S532-Y536 PolarHBondContact OG-OH 3.14Å; W534-Y536 HydrophobicContact CB-CE2 3.9Å; W534-Y536 VanDerWaalsContact O-CD2 3.23Å; W534-Y536 WeakPolarHBondContact O-CD2 3.49Å; W534-Y536 VanDerWaalsContact O-CE2 3.29Å; W534-Y536 WeakPolarHBondContact O-CE2 3.42Å; Y536-C540 HydrophobicContact CD1-CB 3.99Å
537	C	94	Very high	94.8	Very high	15 Å²	15	34.3 Å²	34.3	10%	0.101	19%	0.191	C	C	.	.			trans	-79.8	159.6	168.7	62.7	0	0	0	0	111.8	C512 C515 I519 T539 C540 H541	C512-C537 HydrophobicContact CB-CB 4.27Å; C512-C537 PolarHBondContact SG-N 3.36Å; C515-C537 PolarHBondContact SG-SG 2.91Å; I519-C537 HydrophobicContact CG2-CB 3.59Å; C537-T539 PolarHBondContact O-N 3.02Å; C537-T539 PolarHBondContact SG-OG1 3.39Å; C537-C540 PolarHBondContact O-N 3Å; C537-C540 VanDerWaalsContact SG-SG 3.68Å; C537-H541 PolarHBondContact O-N 3.37Å
538	S	93.5	Very high	95	Very high	65 Å²	65	31.9 Å²	31.9	46%	0.455	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-20.3	179.8	-50.1	0	0	0	0	115.7
539	T	93.3	Very high	95.1	Very high	87 Å²	87	30.3 Å²	30.3	53%	0.534	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-29.4	176.6	56.8	0	0	0	0	113.2	C537 K565	C537-T539 PolarHBondContact O-N 3.02Å; C537-T539 PolarHBondContact SG-OG1 3.39Å; T539-K565 PolarHBondContact O-NZ 3.1Å
540	C	93.9	Very high	95.1	Very high	21 Å²	21	30.4 Å²	30.4	14%	0.142	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-19.5	173.3	-66.8	0	0	0	0	112.9	C515 Y536 C537 K565	C515-C540 VanDerWaalsContact SG-SG 3.68Å; Y536-C540 HydrophobicContact CD1-CB 3.99Å; C537-C540 PolarHBondContact O-N 3Å; C537-C540 VanDerWaalsContact SG-SG 3.68Å; C540-K565 PolarHBondContact O-N 2.89Å
541	H	95.4	Very high	95.2	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.009	18%	0.175	C	C	.	.			trans	-131	90.6	-179.3	-160	-71.1	0	0	0	110.5	K527 V528 C529 C537 D543 V563 S564	K527-H541 HydrophobicContact CB-CB 4.12Å; K527-H541 HydrophobicContact CD-CB 4.18Å; K527-H541 WeakPolarHBondContact CD-O 3.28Å; K527-H541 PolarHBondContact NZ-O 2.89Å; V528-H541 PolarHBondContact O-NE2 3.03Å; V528-H541 VanDerWaalsContact O-NE2 3.09Å; C529-H541 WeakPolarHBondContact CA-NE2 3.23Å; C537-H541 PolarHBondContact O-N 3.37Å; H541-D543 VanDerWaalsContact C-N 3.31Å; H541-D543 IonicContact CE1-OD1 3.5Å; H541-D543 PolarHBondContact CE1-OD1 2.86Å; H541-D543 IonicContact ND1-OD1 2.69Å; H541-D543 PolarHBondContact ND1-OD1 3.11Å; H541-V563 VanDerWaalsContact NE2-C 3.28Å; H541-V563 PolarHBondContact NE2-O 2.82Å; H541-S564 PolarHBondContact CD2-N 3.45Å; H541-S564 PolarHBondContact NE2-N 3.04Å
542	V	95.2	Very high	95.2	Very high	70 Å²	70	32.4 Å²	32.4	42%	0.424	17%	0.174	S	C	.	.			trans	-93.1	8.7	-180	-60.5	0	0	0	0	113	D544 K565	V542-D544 WeakPolarHBondContact CG2-OD2 3.4Å; V542-K565 VanDerWaalsContact CG2-CE 3.47Å; V542-K565 HydrophobicContact CG2-CG 4.38Å
543	D	95.4	Very high	95.3	Very high	47 Å²	47	32.3 Å²	32.3	25%	0.251	17%	0.173	S	C	.	.			trans	69.4	28.8	179.1	-57	4.6	0	0	0	114.3	K527 H541 K562	K527-D543 WeakPolarHBondContact CD-OD1 3.38Å; K527-D543 WeakPolarHBondContact CE-OD1 3.33Å; K527-D543 IonicContact NZ-OD1 3.86Å; K527-D543 PolarHBondContact NZ-OD1 2.72Å; K527-D543 IonicContact NZ-OD2 2.84Å; K527-D543 PolarHBondContact NZ-OD2 3.37Å; H541-D543 VanDerWaalsContact C-N 3.31Å; H541-D543 IonicContact CE1-OD1 3.5Å; H541-D543 PolarHBondContact CE1-OD1 2.86Å; H541-D543 IonicContact ND1-OD1 2.69Å; H541-D543 PolarHBondContact ND1-OD1 3.11Å; D543-K562 HydrophobicContact CB-CD 3.73Å; D543-K562 HydrophobicContact CB-CG 4.14Å; D543-K562 IonicContact OD2-NZ 2.82Å; D543-K562 PolarHBondContact OD2-NZ 3.14Å
544	D	96.2	Very high	95.4	Very high	42 Å²	42	35.4 Å²	35.4	23%	0.225	19%	0.186	C	C	.	.			trans	-44.6	138.9	155.9	-77.1	-76.4	0	0	0	110.2	V542 K562 V563 K568	V542-D544 WeakPolarHBondContact CG2-OD2 3.4Å; D544-K562 CarbonylContact O-C 3.54Å; D544-K562 WeakPolarHBondContact O-CA 3.27Å; D544-V563 HydrophobicContact CB-CG2 4.4Å; D544-V563 PolarHBondContact O-N 2.67Å; D544-K568 HydrophobicContact CB-CD 3.84Å; D544-K568 HydrophobicContact CB-CG 4.42Å; D544-K568 VanDerWaalsContact OD1-CE 3.31Å; D544-K568 WeakPolarHBondContact OD1-CE 3.39Å; D544-K568 IonicContact OD1-NZ 2.81Å; D544-K568 PolarHBondContact OD1-NZ 2.7Å
545	T	97.6	Very high	95.3	Very high	71 Å²	71	37.6 Å²	37.6	44%	0.436	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	140.2	178.3	58.4	0	0	0	0	111.9	Y561 K562	T545-Y561 CarbonylContact C-O 3.59Å; T545-Y561 VanDerWaalsContact CA-O 3.22Å; T545-Y561 WeakPolarHBondContact CA-O 3.34Å; T545-K562 HydrophobicContact CG2-CG 4.04Å
546	F	97.5	Very high	95.4	Very high	28 Å²	28	37.8 Å²	37.8	12%	0.123	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	158.8	178.5	-148.8	-91.4	0	0	0	111	K560 Y561 V563 K568 L571 E572 Y575	F546-K560 CarbonylContact O-C 3.27Å; F546-K560 WeakPolarHBondContact O-CA 3.25Å; F546-Y561 PolarHBondContact N-O 3.47Å; F546-Y561 PolarHBondContact O-N 3.06Å; F546-V563 HydrophobicContact CB-CG1 4.5Å; F546-V563 HydrophobicContact CB-CG2 3.96Å; F546-K568 HydrophobicContact CD2-CG 4.16Å; F546-L571 HydrophobicContact CB-CD1 4.45Å; F546-L571 HydrophobicContact CD1-CB 3.67Å; F546-L571 HydrophobicContact CD1-CD1 3.8Å; F546-L571 HydrophobicContact CD1-CG 4.3Å; F546-L571 HydrophobicContact CE1-CB 3.56Å; F546-L571 HydrophobicContact CE1-CD1 4.48Å; F546-L571 HydrophobicContact CG-CB 4.31Å; F546-L571 HydrophobicContact CG-CD1 4.34Å; F546-L571 HydrophobicContact CZ-CB 4.09Å; F546-E572 HydrophobicContact CD2-CG 4.38Å; F546-E572 HydrophobicContact CE2-CG 3.62Å; F546-E572 HydrophobicContact CZ-CG 4.23Å; F546-Y575 HydrophobicContact CE1-CD2 4.28Å; F546-Y575 AromaticContact CZ-CD2 3.86Å; F546-Y575 HydrophobicContact CZ-CD2 3.86Å; F546-Y575 HydrophobicContact CZ-CE2 4.27Å
547	L	96.6	Very high	95.5	Very high	12 Å²	12	38.8 Å²	38.8	6%	0.063	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	128.2	176.2	-177.2	60.1	0	0	0	109.7	P549 L552 I650	L547-P549 WeakPolarHBondContact O-CD 3.32Å; L547-L552 HydrophobicContact CD2-CD2 3.82Å; L547-L552 HydrophobicContact CG-CD2 4.3Å; L547-I650 HydrophobicContact CD2-CD1 4Å
548	I	97.3	Very high	95.6	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.026	22%	0.224	C	C	.	.			trans	-92.6	114.5	-173.5	-56	-58.9	0	0	0	109.6	Y531 A550 R551 L552 Y561 V563	Y531-I548 HydrophobicContact CD2-CD1 4.45Å; Y531-I548 HydrophobicContact CD2-CG2 4.38Å; I548-A550 PolarHBondContact O-N 2.78Å; I548-R551 HydrophobicContact CB-CB 4.06Å; I548-R551 HydrophobicContact CB-CG 3.94Å; I548-R551 HydrophobicContact CG2-CB 4.2Å; I548-R551 HydrophobicContact CG2-CG 3.74Å; I548-R551 WeakPolarHBondContact O-CB 3.43Å; I548-R551 PolarHBondContact O-N 2.75Å; I548-L552 PolarHBondContact O-N 3.11Å; I548-L552 VanDerWaalsContact O-N 3.09Å; I548-Y561 HydrophobicContact CG1-CD2 3.81Å; I548-Y561 HydrophobicContact CG1-CG 4.11Å; I548-V563 HydrophobicContact CD1-CG1 3.72Å
549	P	96.9	Very high	95.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.1	-46.2	-168.8	-23.8	34.9	0	0	0	113.5	L496 L547 R551 L552 V553 L571 I580 L643	L496-P549 HydrophobicContact CD1-CB 4.26Å; L496-P549 HydrophobicContact CD1-CG 3.89Å; L496-P549 HydrophobicContact CG-CB 4.31Å; L496-P549 HydrophobicContact CG-CG 4.48Å; L496-P549 WeakPolarHBondContact O-CB 3.25Å; L547-P549 WeakPolarHBondContact O-CD 3.32Å; P549-R551 PolarHBondContact O-N 2.96Å; P549-L552 WeakPolarHBondContact O-CB 3.35Å; P549-L552 PolarHBondContact O-N 3.22Å; P549-L552 VanDerWaalsContact O-N 3.12Å; P549-V553 WeakPolarHBondContact O-CG2 3.15Å; P549-V553 PolarHBondContact O-N 3.15Å; P549-L571 HydrophobicContact CG-CD2 3.79Å; P549-I580 HydrophobicContact CB-CD1 4.01Å; P549-L643 HydrophobicContact CB-CD2 3.69Å; P549-L643 HydrophobicContact CG-CD1 3.85Å; P549-L643 HydrophobicContact CG-CD2 3.58Å; P549-L643 HydrophobicContact CG-CG 4.37Å
550	A	96.2	Very high	95.9	Very high	2 Å²	2	42.9 Å²	42.9	2%	0.017	22%	0.223	C	C	.	.	H	α-helix	trans	-53.4	-37.7	172.9	0	0	0	0	0	113.9	L496 T497 T498 L499 I548 H554	L496-A550 PolarHBondContact O-N 2.87Å; T497-A550 VanDerWaalsContact O-CB 3.31Å; T497-A550 WeakPolarHBondContact O-CB 3.42Å; T498-A550 VanDerWaalsContact C-CB 3.44Å; T498-A550 WeakPolarHBondContact O-CB 3.33Å; L499-A550 HydrophobicContact CD2-CB 3.82Å; L499-A550 HydrophobicContact CG-CB 4.18Å; I548-A550 PolarHBondContact O-N 2.78Å; A550-H554 WeakPolarHBondContact O-CB 3.36Å; A550-H554 PolarHBondContact O-CD2 2.65Å; A550-H554 PolarHBondContact O-N 2.71Å; A550-H554 VanDerWaalsContact O-N 3.08Å
551	R	95.9	Very high	96.1	Very high	86 Å²	86	45 Å²	45	33%	0.325	23%	0.228	S	C	.	.	H	α-helix	trans	-71.8	-40.1	179	-68.2	179.9	159.4	-92.6	-8.8	111.6	L499 I548 P549 N555 D557 Y561	L499-R551 HydrophobicContact CD2-CB 4.43Å; L499-R551 HydrophobicContact CD2-CG 3.69Å; I548-R551 HydrophobicContact CB-CB 4.06Å; I548-R551 HydrophobicContact CB-CG 3.94Å; I548-R551 HydrophobicContact CG2-CB 4.2Å; I548-R551 HydrophobicContact CG2-CG 3.74Å; I548-R551 WeakPolarHBondContact O-CB 3.43Å; I548-R551 PolarHBondContact O-N 2.75Å; P549-R551 PolarHBondContact O-N 2.96Å; R551-N555 PolarHBondContact O-N 3.06Å; R551-D557 HydrophobicContact CB-CB 3.92Å; R551-D557 IonicContact NH1-OD2 2.71Å; R551-D557 PolarHBondContact NH1-OD2 2.86Å; R551-D557 VanDerWaalsContact NH1-OD2 3.13Å; R551-D557 PolarHBondContact O-N 3.08Å; R551-Y561 PolarHBondContact NH1-OH 3.09Å
552	L	96.3	Very high	96.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65.4	-43.1	176.3	-176.9	65.1	0	0	0	112.3	L547 I548 P549 W556 T558 L646 I650	L547-L552 HydrophobicContact CD2-CD2 3.82Å; L547-L552 HydrophobicContact CG-CD2 4.3Å; I548-L552 PolarHBondContact O-N 3.11Å; I548-L552 VanDerWaalsContact O-N 3.09Å; P549-L552 WeakPolarHBondContact O-CB 3.35Å; P549-L552 PolarHBondContact O-N 3.22Å; P549-L552 VanDerWaalsContact O-N 3.12Å; L552-W556 HydrophobicContact CD1-CD2 4Å; L552-W556 HydrophobicContact CD1-CE3 3.77Å; L552-W556 HydrophobicContact CD1-CH2 4.47Å; L552-W556 HydrophobicContact CD1-CZ3 4.04Å; L552-W556 HydrophobicContact CG-CE3 4.23Å; L552-W556 HydrophobicContact CG-CZ3 4.26Å; L552-W556 WeakPolarHBondContact O-CA 3.41Å; L552-W556 PolarHBondContact O-N 2.93Å; L552-T558 HydrophobicContact CD1-CG2 4.28Å; L552-L646 HydrophobicContact CD2-CB 3.73Å; L552-L646 HydrophobicContact CD2-CD1 3.85Å; L552-L646 HydrophobicContact CD2-CG 4.42Å; L552-I650 HydrophobicContact CD1-CD1 3.82Å; L552-I650 HydrophobicContact CD2-CD1 4.36Å
553	V	95.9	Very high	96.3	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.006	23%	0.229	C	C	.	.	H	α-helix	trans	-73.3	-40.3	-178.5	176.8	0	0	0	0	112	P549 I580 E585 N586	P549-V553 WeakPolarHBondContact O-CG2 3.15Å; P549-V553 PolarHBondContact O-N 3.15Å; V553-I580 HydrophobicContact CG2-CD1 4.42Å; V553-I580 HydrophobicContact CG2-CG2 3.59Å; V553-E585 HydrophobicContact CG1-CB 3.54Å; V553-E585 HydrophobicContact CG1-CG 4.33Å; V553-N586 HydrophobicContact CG1-CB 4.25Å; V553-N586 WeakPolarHBondContact O-CB 3.37Å; V553-N586 PolarHBondContact O-ND2 2.69Å
554	H	94.3	Very high	96.3	Very high	67 Å²	67	44.2 Å²	44.2	31%	0.31	22%	0.217	S	C	.	.	H	α-helix	trans	-83.4	-29.4	-178.3	-70.8	-60.7	0	0	0	114.3	T497 L499 A550 E585 N586	T497-H554 PolarHBondContact O-CD2 3.18Å; T497-H554 VanDerWaalsContact O-CD2 3.23Å; T497-H554 PolarHBondContact O-NE2 2.89Å; L499-H554 HydrophobicContact CD1-CB 4.24Å; A550-H554 WeakPolarHBondContact O-CB 3.36Å; A550-H554 PolarHBondContact O-CD2 2.65Å; A550-H554 PolarHBondContact O-N 2.71Å; A550-H554 VanDerWaalsContact O-N 3.08Å; H554-E585 IonicContact NE2-OE2 3.13Å; H554-N586 PolarHBondContact O-ND2 3.05Å
555	N	93.3	Very high	96.3	Very high	117 Å²	117	46 Å²	46	63%	0.626	22%	0.223	S	C	*	.	H	α-helix	trans	-134.2	4.4	-171.9	-58.9	-85.2	0	0	0	115.2	R551 D557	R551-N555 PolarHBondContact O-N 3.06Å; N555-D557 HydrophobicContact CB-CB 4.39Å; N555-D557 PolarHBondContact O-N 3.35Å; N555-D557 VanDerWaalsContact O-N 3.16Å
556	W	95.9	Very high	96.1	Very high	51 Å²	51	45.7 Å²	45.7	19%	0.193	22%	0.216	C	C	.	.			trans	50.7	31.3	-167.9	-155.3	-111.5	0	0	0	114.4	L552 T558 L589 V593 L596 V649 I650	L552-W556 HydrophobicContact CD1-CD2 4Å; L552-W556 HydrophobicContact CD1-CE3 3.77Å; L552-W556 HydrophobicContact CD1-CH2 4.47Å; L552-W556 HydrophobicContact CD1-CZ3 4.04Å; L552-W556 HydrophobicContact CG-CE3 4.23Å; L552-W556 HydrophobicContact CG-CZ3 4.26Å; L552-W556 WeakPolarHBondContact O-CA 3.41Å; L552-W556 PolarHBondContact O-N 2.93Å; W556-T558 PolarHBondContact O-N 3.07Å; W556-L589 HydrophobicContact CB-CD1 4.09Å; W556-L589 HydrophobicContact CE3-CD1 4.09Å; W556-L589 HydrophobicContact CE3-CD2 3.93Å; W556-L589 HydrophobicContact CE3-CG 4.2Å; W556-L589 HydrophobicContact CZ3-CD2 4.14Å; W556-V593 HydrophobicContact CB-CG2 3.83Å; W556-V593 HydrophobicContact CD2-CB 4.38Å; W556-V593 HydrophobicContact CD2-CG1 3.69Å; W556-V593 HydrophobicContact CD2-CG2 3.77Å; W556-V593 HydrophobicContact CE3-CG1 4.22Å; W556-V593 HydrophobicContact CE3-CG2 4.19Å; W556-V593 HydrophobicContact CG-CG1 4.08Å; W556-V593 HydrophobicContact CG-CG2 3.58Å; W556-V593 HydrophobicContact CH2-CG1 4.22Å; W556-V593 HydrophobicContact CZ2-CG1 3.69Å; W556-V593 HydrophobicContact CZ3-CG1 4.46Å; W556-L596 HydrophobicContact CH2-CB 4.46Å; W556-L596 HydrophobicContact CH2-CD1 4.38Å; W556-L596 HydrophobicContact CZ3-CD2 4.13Å; W556-V649 HydrophobicContact CH2-CB 4.19Å; W556-V649 HydrophobicContact CH2-CG1 3.92Å; W556-V649 HydrophobicContact CZ2-CB 4.38Å; W556-V649 HydrophobicContact CZ2-CG1 3.91Å; W556-I650 HydrophobicContact CH2-CG1 4.44Å; W556-I650 HydrophobicContact CZ2-CG1 3.81Å
557	D	95.8	Very high	96	Very high	25 Å²	25	44.3 Å²	44.3	13%	0.134	21%	0.211	C	C	.	.			trans	-73.2	98.6	179.9	179.1	7.5	0	0	0	110.1	R551 N555 S559 Y561	R551-D557 HydrophobicContact CB-CB 3.92Å; R551-D557 IonicContact NH1-OD2 2.71Å; R551-D557 PolarHBondContact NH1-OD2 2.86Å; R551-D557 VanDerWaalsContact NH1-OD2 3.13Å; R551-D557 PolarHBondContact O-N 3.08Å; N555-D557 HydrophobicContact CB-CB 4.39Å; N555-D557 PolarHBondContact O-N 3.35Å; N555-D557 VanDerWaalsContact O-N 3.16Å; D557-S559 PolarHBondContact O-N 3.31Å; D557-S559 WeakPolarHBondContact OD1-CB 3.45Å; D557-S559 PolarHBondContact OD1-N 2.87Å; D557-S559 PolarHBondContact OD1-OG 2.93Å; D557-Y561 WeakPolarHBondContact OD2-CE2 3.43Å; D557-Y561 PolarHBondContact OD2-OH 3.38Å
558	T	95.9	Very high	96	Very high	67 Å²	67	46.1 Å²	46.1	41%	0.411	22%	0.218	S	C	.	.			trans	-79.8	2.2	-179.3	63	0	0	0	0	113.4	L552 W556 I650	L552-T558 HydrophobicContact CD1-CG2 4.28Å; W556-T558 PolarHBondContact O-N 3.07Å; T558-I650 HydrophobicContact CG2-CD1 3.68Å; T558-I650 HydrophobicContact CG2-CG1 3.76Å; T558-I650 HydrophobicContact CG2-CG2 3.95Å
559	S	96.4	Very high	95.9	Very high	57 Å²	57	50.9 Å²	50.9	40%	0.399	24%	0.24	S	C	.	.			trans	-71.7	141.9	-176.1	-40.9	0	0	0	0	111.8	D557 Y561	D557-S559 PolarHBondContact O-N 3.31Å; D557-S559 WeakPolarHBondContact OD1-CB 3.45Å; D557-S559 PolarHBondContact OD1-N 2.87Å; D557-S559 PolarHBondContact OD1-OG 2.93Å; S559-Y561 WeakPolarHBondContact O-CD2 3.37Å
560	K	96.3	Very high	95.8	Very high	129 Å²	129	51.2 Å²	51.2	56%	0.561	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	121.8	173.5	-62.1	-173.4	-179.7	-176.8	0	110.2	F546	F546-K560 CarbonylContact O-C 3.27Å; F546-K560 WeakPolarHBondContact O-CA 3.25Å
561	Y	97	Very high	95.8	Very high	66 Å²	66	51.1 Å²	51.1	26%	0.259	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	155.8	-177	-71.2	-87.4	0	0	0	112.4	T545 F546 I548 R551 D557 S559	T545-Y561 CarbonylContact C-O 3.59Å; T545-Y561 VanDerWaalsContact CA-O 3.22Å; T545-Y561 WeakPolarHBondContact CA-O 3.34Å; F546-Y561 PolarHBondContact N-O 3.47Å; F546-Y561 PolarHBondContact O-N 3.06Å; I548-Y561 HydrophobicContact CG1-CD2 3.81Å; I548-Y561 HydrophobicContact CG1-CG 4.11Å; R551-Y561 PolarHBondContact NH1-OH 3.09Å; D557-Y561 WeakPolarHBondContact OD2-CE2 3.43Å; D557-Y561 PolarHBondContact OD2-OH 3.38Å; S559-Y561 WeakPolarHBondContact O-CD2 3.37Å
562	K	97.6	Very high	95.9	Very high	102 Å²	102	51.7 Å²	51.7	44%	0.443	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	129.7	-178.7	-64.6	-178.9	166.9	-164.8	0	111.4	S530 D543 D544 T545	S530-K562 VanDerWaalsContact CB-O 3.32Å; S530-K562 WeakPolarHBondContact CB-O 3.27Å; S530-K562 PolarHBondContact N-O 2.69Å; S530-K562 PolarHBondContact OG-O 3.03Å; D543-K562 HydrophobicContact CB-CD 3.73Å; D543-K562 HydrophobicContact CB-CG 4.14Å; D543-K562 IonicContact OD2-NZ 2.82Å; D543-K562 PolarHBondContact OD2-NZ 3.14Å; D544-K562 CarbonylContact O-C 3.54Å; D544-K562 WeakPolarHBondContact O-CA 3.27Å; T545-K562 HydrophobicContact CG2-CG 4.04Å
563	V	97.1	Very high	95.8	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	28%	0.279	C	S	.	.			trans	-128.5	157	-177.2	-68.7	0	0	0	0	112.3	H541 D544 F546 I548 A567 K568	H541-V563 VanDerWaalsContact NE2-C 3.28Å; H541-V563 PolarHBondContact NE2-O 2.82Å; D544-V563 HydrophobicContact CB-CG2 4.4Å; D544-V563 PolarHBondContact O-N 2.67Å; F546-V563 HydrophobicContact CB-CG1 4.5Å; F546-V563 HydrophobicContact CB-CG2 3.96Å; I548-V563 HydrophobicContact CD1-CG1 3.72Å; V563-A567 HydrophobicContact CB-CB 4.27Å; V563-K568 HydrophobicContact CG2-CB 3.94Å; V563-K568 HydrophobicContact CG2-CG 4.23Å
564	S	95.8	Very high	95.8	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.007	28%	0.281	C	S	.	.			trans	-69	153	167.6	73.3	0	0	0	0	110.6	C529 H541 Q566 A567 K568	C529-S564 PolarHBondContact SG-N 3.07Å; H541-S564 PolarHBondContact CD2-N 3.45Å; H541-S564 PolarHBondContact NE2-N 3.04Å; S564-Q566 PolarHBondContact O-N 2.88Å; S564-A567 PolarHBondContact O-N 2.87Å; S564-A567 WeakPolarHBondContact OG-CB 3.24Å; S564-A567 PolarHBondContact OG-N 2.87Å; S564-K568 PolarHBondContact O-N 2.93Å
565	K	95.8	Very high	95.9	Very high	78 Å²	78	60.2 Å²	60.2	34%	0.339	28%	0.279	S	S	.	.	H	α-helix	trans	-53.5	-41.1	177.1	-71.7	175.8	174.6	166.9	0	112.7	T539 C540 V542 A567 K568 E569	T539-K565 PolarHBondContact O-NZ 3.1Å; C540-K565 PolarHBondContact O-N 2.89Å; V542-K565 VanDerWaalsContact CG2-CE 3.47Å; V542-K565 HydrophobicContact CG2-CG 4.38Å; K565-A567 PolarHBondContact O-N 2.86Å; K565-K568 WeakPolarHBondContact O-CB 3.35Å; K565-K568 PolarHBondContact O-N 3.31Å; K565-E569 WeakPolarHBondContact O-CB 3.36Å; K565-E569 VanDerWaalsContact O-CG 3.28Å; K565-E569 WeakPolarHBondContact O-CG 3.28Å; K565-E569 PolarHBondContact O-N 2.84Å
566	Q	94	Very high	96	Very high	65 Å²	65	59.5 Å²	59.5	30%	0.304	27%	0.272	S	S	.	.	H	α-helix	trans	-65.5	-37	178.5	-70.5	168.4	-27.3	0	0	112.9	F492 G514 S564 F570	F492-Q566 HydrophobicContact CE2-CB 4.14Å; F492-Q566 HydrophobicContact CZ-CB 4.49Å; G514-Q566 PolarHBondContact O-NE2 3.01Å; S564-Q566 PolarHBondContact O-N 2.88Å; Q566-F570 WeakPolarHBondContact O-CB 3.32Å; Q566-F570 PolarHBondContact O-N 3.09Å; Q566-F570 VanDerWaalsContact O-N 3.15Å
567	A	95.3	Very high	95.9	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-72.6	-34.8	174.9	0	0	0	0	0	111.4	F492 Y531 V563 S564 K565 F570 L571	F492-A567 HydrophobicContact CE2-CB 4.33Å; F492-A567 HydrophobicContact CZ-CB 4.4Å; Y531-A567 HydrophobicContact CD1-CB 3.91Å; Y531-A567 HydrophobicContact CG-CB 4.37Å; V563-A567 HydrophobicContact CB-CB 4.27Å; S564-A567 PolarHBondContact O-N 2.87Å; S564-A567 WeakPolarHBondContact OG-CB 3.24Å; S564-A567 PolarHBondContact OG-N 2.87Å; K565-A567 PolarHBondContact O-N 2.86Å; A567-F570 PolarHBondContact O-N 2.81Å; A567-L571 WeakPolarHBondContact O-CB 3.16Å; A567-L571 VanDerWaalsContact O-CG 3.25Å; A567-L571 WeakPolarHBondContact O-CG 3.33Å; A567-L571 PolarHBondContact O-N 3.07Å
568	K	96.1	Very high	95.9	Very high	50 Å²	50	62 Å²	62	22%	0.217	29%	0.288	C	S	.	.	H	α-helix	trans	-65.2	-53.7	173.3	-157.6	-152.4	-167.6	-172.9	0	111.7	D544 F546 V563 S564 K565 F570 L571 E572	D544-K568 HydrophobicContact CB-CD 3.84Å; D544-K568 HydrophobicContact CB-CG 4.42Å; D544-K568 VanDerWaalsContact OD1-CE 3.31Å; D544-K568 WeakPolarHBondContact OD1-CE 3.39Å; D544-K568 IonicContact OD1-NZ 2.81Å; D544-K568 PolarHBondContact OD1-NZ 2.7Å; F546-K568 HydrophobicContact CD2-CG 4.16Å; V563-K568 HydrophobicContact CG2-CB 3.94Å; V563-K568 HydrophobicContact CG2-CG 4.23Å; S564-K568 PolarHBondContact O-N 2.93Å; K565-K568 WeakPolarHBondContact O-CB 3.35Å; K565-K568 PolarHBondContact O-N 3.31Å; K568-F570 PolarHBondContact O-N 2.93Å; K568-F570 VanDerWaalsContact O-N 3.14Å; K568-L571 PolarHBondContact O-N 2.91Å; K568-L571 VanDerWaalsContact O-N 3.08Å; K568-E572 WeakPolarHBondContact CD-OE1 3.44Å; K568-E572 WeakPolarHBondContact CE-OE1 3.33Å; K568-E572 HydrophobicContact CG-CG 4.37Å; K568-E572 IonicContact NZ-OE1 2.76Å; K568-E572 PolarHBondContact NZ-OE1 2.75Å; K568-E572 WeakPolarHBondContact O-CB 3.38Å; K568-E572 WeakPolarHBondContact O-CG 3.23Å; K568-E572 PolarHBondContact O-N 2.96Å
569	E	95.6	Very high	95.9	Very high	104 Å²	104	62.5 Å²	62.5	49%	0.486	29%	0.287	S	S	.	.	H	α-helix	trans	-50.9	-37.8	174.7	-75.4	167.9	-136.3	0	0	111.5	K565 Y573	K565-E569 WeakPolarHBondContact O-CB 3.36Å; K565-E569 VanDerWaalsContact O-CG 3.28Å; K565-E569 WeakPolarHBondContact O-CG 3.28Å; K565-E569 PolarHBondContact O-N 2.84Å; E569-Y573 WeakPolarHBondContact O-CB 3.44Å; E569-Y573 PolarHBondContact O-N 2.79Å
570	F	95.6	Very high	95.9	Very high	8 Å²	8	59.9 Å²	59.9	4%	0.035	27%	0.269	C	S	.	.	H	α-helix	trans	-73.1	-48.8	175.9	170.4	-98.2	0	0	0	113.4	T489 F492 L493 L496 Y531 Q566 A567 K568 E572 Y573 V574	T489-F570 HydrophobicContact CG2-CD2 4.26Å; F492-F570 HydrophobicContact CB-CD1 3.68Å; F492-F570 HydrophobicContact CB-CD2 4.05Å; F492-F570 HydrophobicContact CB-CE1 3.73Å; F492-F570 HydrophobicContact CB-CE2 4.08Å; F492-F570 HydrophobicContact CB-CG 3.85Å; F492-F570 HydrophobicContact CB-CZ 3.93Å; F492-F570 HydrophobicContact CD2-CB 3.8Å; F492-F570 HydrophobicContact CD2-CD1 4.14Å; F492-F570 HydrophobicContact CD2-CD2 4.44Å; F492-F570 AromaticContact CD2-CG 3.84Å; F492-F570 HydrophobicContact CD2-CG 3.84Å; F492-F570 HydrophobicContact CE2-CB 4.48Å; F492-F570 HydrophobicContact CG-CD1 4.31Å; F492-F570 HydrophobicContact CG-CG 4.34Å; L493-F570 HydrophobicContact CB-CZ 4.46Å; L493-F570 HydrophobicContact CD2-CE2 4.11Å; L493-F570 HydrophobicContact CD2-CZ 3.79Å; L493-F570 HydrophobicContact CG-CE2 3.82Å; L493-F570 HydrophobicContact CG-CZ 3.76Å; L496-F570 HydrophobicContact CD1-CE1 4.26Å; Y531-F570 HydrophobicContact CE1-CD1 4.16Å; Y531-F570 HydrophobicContact CE1-CE1 4.25Å; Y531-F570 WeakPolarHBondContact OH-CE1 3.36Å; Q566-F570 WeakPolarHBondContact O-CB 3.32Å; Q566-F570 PolarHBondContact O-N 3.09Å; Q566-F570 VanDerWaalsContact O-N 3.15Å; A567-F570 PolarHBondContact O-N 2.81Å; K568-F570 PolarHBondContact O-N 2.93Å; K568-F570 VanDerWaalsContact O-N 3.14Å; F570-E572 VanDerWaalsContact C-N 3.29Å; F570-E572 PolarHBondContact O-N 2.81Å; F570-Y573 WeakPolarHBondContact O-CB 3.4Å; F570-Y573 PolarHBondContact O-N 3.01Å; F570-Y573 VanDerWaalsContact O-N 3.1Å; F570-V574 HydrophobicContact CD2-CG1 4.34Å; F570-V574 HydrophobicContact CE1-CG2 4.05Å; F570-V574 HydrophobicContact CE2-CG1 3.71Å; F570-V574 HydrophobicContact CZ-CG1 3.87Å; F570-V574 HydrophobicContact CZ-CG2 4.04Å; F570-V574 PolarHBondContact O-N 2.84Å
571	L	96.5	Very high	95.9	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-68.8	-28.1	-179	-71	168.5	0	0	0	112.8	L496 Y531 F546 P549 A567 K568 Y575 L643	L496-L571 HydrophobicContact CD1-CD2 4.15Å; Y531-L571 HydrophobicContact CD2-CD1 3.85Å; Y531-L571 HydrophobicContact CD2-CD2 4.19Å; Y531-L571 HydrophobicContact CD2-CG 4.44Å; Y531-L571 HydrophobicContact CE2-CD1 4.28Å; Y531-L571 HydrophobicContact CE2-CD2 3.76Å; Y531-L571 HydrophobicContact CE2-CG 4.4Å; Y531-L571 HydrophobicContact CG-CD1 4Å; F546-L571 HydrophobicContact CB-CD1 4.45Å; F546-L571 HydrophobicContact CD1-CB 3.67Å; F546-L571 HydrophobicContact CD1-CD1 3.8Å; F546-L571 HydrophobicContact CD1-CG 4.3Å; F546-L571 HydrophobicContact CE1-CB 3.56Å; F546-L571 HydrophobicContact CE1-CD1 4.48Å; F546-L571 HydrophobicContact CG-CB 4.31Å; F546-L571 HydrophobicContact CG-CD1 4.34Å; F546-L571 HydrophobicContact CZ-CB 4.09Å; P549-L571 HydrophobicContact CG-CD2 3.79Å; A567-L571 WeakPolarHBondContact O-CB 3.16Å; A567-L571 VanDerWaalsContact O-CG 3.25Å; A567-L571 WeakPolarHBondContact O-CG 3.33Å; A567-L571 PolarHBondContact O-N 3.07Å; K568-L571 PolarHBondContact O-N 2.91Å; K568-L571 VanDerWaalsContact O-N 3.08Å; L571-Y575 WeakPolarHBondContact O-CB 3.49Å; L571-Y575 PolarHBondContact O-N 3.22Å; L571-L643 HydrophobicContact CD2-CD1 4.25Å
572	E	96.6	Very high	95.8	Very high	97 Å²	97	52.3 Å²	52.3	45%	0.453	24%	0.239	S	C	.	.	H	α-helix	trans	-70.3	-37.9	169	-71.2	170.2	157.6	0	0	111.2	F546 K568 F570 Y575	F546-E572 HydrophobicContact CD2-CG 4.38Å; F546-E572 HydrophobicContact CE2-CG 3.62Å; F546-E572 HydrophobicContact CZ-CG 4.23Å; K568-E572 WeakPolarHBondContact CD-OE1 3.44Å; K568-E572 WeakPolarHBondContact CE-OE1 3.33Å; K568-E572 HydrophobicContact CG-CG 4.37Å; K568-E572 IonicContact NZ-OE1 2.76Å; K568-E572 PolarHBondContact NZ-OE1 2.75Å; K568-E572 WeakPolarHBondContact O-CB 3.38Å; K568-E572 WeakPolarHBondContact O-CG 3.23Å; K568-E572 PolarHBondContact O-N 2.96Å; F570-E572 VanDerWaalsContact C-N 3.29Å; F570-E572 PolarHBondContact O-N 2.81Å; E572-Y575 WeakPolarHBondContact O-CB 3.3Å
573	Y	95.5	Very high	95.7	Very high	173 Å²	173	50 Å²	50	68%	0.678	23%	0.23	S	C	*	.	H	α-helix	trans	-68.2	-41.4	177.4	172.6	-113.2	0	0	0	113.3	E569 F570 Y575	E569-Y573 WeakPolarHBondContact O-CB 3.44Å; E569-Y573 PolarHBondContact O-N 2.79Å; F570-Y573 WeakPolarHBondContact O-CB 3.4Å; F570-Y573 PolarHBondContact O-N 3.01Å; F570-Y573 VanDerWaalsContact O-N 3.1Å; Y573-Y575 VanDerWaalsContact C-N 3.31Å; Y573-Y575 PolarHBondContact O-N 3.46Å
574	V	95.3	Very high	95.6	Very high	8 Å²	8	57.5 Å²	57.5	5%	0.048	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	12.6	178.5	-54.3	0	0	0	0	113.8	L493 L496 F570 E576 E577 L579	L493-V574 HydrophobicContact CD2-CG1 4.37Å; L496-V574 HydrophobicContact CD1-CG2 4.33Å; F570-V574 HydrophobicContact CD2-CG1 4.34Å; F570-V574 HydrophobicContact CE1-CG2 4.05Å; F570-V574 HydrophobicContact CE2-CG1 3.71Å; F570-V574 HydrophobicContact CZ-CG1 3.87Å; F570-V574 HydrophobicContact CZ-CG2 4.04Å; F570-V574 PolarHBondContact O-N 2.84Å; V574-E576 PolarHBondContact O-N 2.87Å; V574-E577 HydrophobicContact CB-CB 4.49Å; V574-E577 PolarHBondContact O-N 3.09Å; V574-L579 HydrophobicContact CB-CD1 3.9Å; V574-L579 HydrophobicContact CG1-CD1 4.17Å; V574-L579 HydrophobicContact CG2-CD1 4.48Å
575	Y	96.3	Very high	95.5	Very high	67 Å²	67	61 Å²	61	26%	0.263	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-38.1	-167.2	-175.1	-108.3	0	0	0	114.2	F546 L571 E572 Y573 L643 S644 Q647	F546-Y575 HydrophobicContact CE1-CD2 4.28Å; F546-Y575 AromaticContact CZ-CD2 3.86Å; F546-Y575 HydrophobicContact CZ-CD2 3.86Å; F546-Y575 HydrophobicContact CZ-CE2 4.27Å; L571-Y575 WeakPolarHBondContact O-CB 3.49Å; L571-Y575 PolarHBondContact O-N 3.22Å; E572-Y575 WeakPolarHBondContact O-CB 3.3Å; Y573-Y575 VanDerWaalsContact C-N 3.31Å; Y573-Y575 PolarHBondContact O-N 3.46Å; Y575-L643 HydrophobicContact CD2-CB 3.62Å; Y575-L643 HydrophobicContact CD2-CD1 4.38Å; Y575-L643 HydrophobicContact CE2-CB 3.85Å; Y575-L643 HydrophobicContact CG-CB 4.43Å; Y575-L643 WeakPolarHBondContact O-CB 3.47Å; Y575-L643 PolarHBondContact O-N 3.04Å; Y575-S644 WeakPolarHBondContact O-CB 3.22Å; Y575-S644 PolarHBondContact O-N 3.27Å; Y575-Q647 WeakPolarHBondContact OH-CB 3.32Å; Y575-Q647 WeakPolarHBondContact OH-CG 3.31Å
576	E	95.3	Very high	95.4	Very high	101 Å²	101	58.7 Å²	58.7	47%	0.472	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-2.6	179.7	-55.5	-131.4	100.9	0	0	113.3	V574 R631 S642 S644	V574-E576 PolarHBondContact O-N 2.87Å; E576-R631 IonicContact OE1-CZ 2.71Å; E576-R631 IonicContact OE1-NH2 3.95Å; E576-R631 PolarHBondContact OE1-NH2 2.72Å; E576-S642 VanDerWaalsContact C-CB 3.41Å; E576-S642 VanDerWaalsContact O-CB 3.27Å; E576-S642 WeakPolarHBondContact O-CB 3.43Å; E576-S644 VanDerWaalsContact OE1-CB 3.32Å; E576-S644 WeakPolarHBondContact OE1-CB 3.44Å; E576-S644 PolarHBondContact OE1-OG 2.94Å
577	E	94.9	Very high	95.4	Very high	98 Å²	98	57.9 Å²	57.9	46%	0.458	27%	0.273	S	S	.	.	S	Bend	trans	-76.6	129.9	-178.5	-63.8	-59.7	150.1	0	0	111.1	V574 L579 S642	V574-E577 HydrophobicContact CB-CB 4.49Å; V574-E577 PolarHBondContact O-N 3.09Å; E577-L579 VanDerWaalsContact C-N 3.33Å; E577-L579 HydrophobicContact CB-CD1 4Å; E577-L579 HydrophobicContact CB-CD2 4.29Å; E577-L579 HydrophobicContact CB-CG 3.78Å; E577-L579 PolarHBondContact O-N 3Å; E577-S642 VanDerWaalsContact O-CA 3.27Å; E577-S642 WeakPolarHBondContact O-CA 3.41Å; E577-S642 VanDerWaalsContact O-CB 3.25Å; E577-S642 WeakPolarHBondContact O-CB 3.46Å
578	P	95.3	Very high	95.4	Very high	32 Å²	32	62 Å²	62	21%	0.208	29%	0.293	C	S	.	.			trans	-79.2	78.1	-177.7	33.9	-36.8	0	0	0	111.1	Y633 L640	P578-Y633 HydrophobicContact CB-CD1 3.85Å; P578-Y633 HydrophobicContact CB-CD2 3.86Å; P578-Y633 HydrophobicContact CB-CE1 3.81Å; P578-Y633 HydrophobicContact CB-CE2 3.86Å; P578-Y633 HydrophobicContact CB-CG 3.85Å; P578-Y633 HydrophobicContact CG-CD1 3.65Å; P578-Y633 HydrophobicContact CG-CE1 3.75Å; P578-Y633 HydrophobicContact CG-CG 4.05Å; P578-L640 HydrophobicContact CB-CD2 3.96Å; P578-L640 HydrophobicContact CB-CG 4.04Å; P578-L640 HydrophobicContact CG-CD2 4.48Å; P578-L640 WeakPolarHBondContact O-CD1 3.43Å; P578-L640 WeakPolarHBondContact O-CD2 3.46Å; P578-L640 WeakPolarHBondContact O-CG 3.36Å
579	L	95.7	Very high	95.3	Very high	77 Å²	77	60 Å²	60	40%	0.403	28%	0.284	S	S	.	.			trans	-106	-4.3	-172	-59.5	-179.2	0	0	0	115.1	L493 L496 V574 E577 Y641	L493-L579 HydrophobicContact CD2-CD1 3.89Å; L496-L579 HydrophobicContact CD2-CB 3.71Å; L496-L579 HydrophobicContact CD2-CD1 4.09Å; V574-L579 HydrophobicContact CB-CD1 3.9Å; V574-L579 HydrophobicContact CG1-CD1 4.17Å; V574-L579 HydrophobicContact CG2-CD1 4.48Å; E577-L579 VanDerWaalsContact C-N 3.33Å; E577-L579 HydrophobicContact CB-CD1 4Å; E577-L579 HydrophobicContact CB-CD2 4.29Å; E577-L579 HydrophobicContact CB-CG 3.78Å; E577-L579 PolarHBondContact O-N 3Å; L579-Y641 PolarHBondContact N-O 3.5Å
580	I	96.6	Very high	95.3	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	108.2	-170.2	-59.6	174.8	0	0	0	110.3	L496 T497 P549 V553 I582 L640 Y641 L643 L646	L496-I580 HydrophobicContact CD2-CG1 4.13Å; T497-I580 HydrophobicContact CG2-CG1 4.23Å; T497-I580 HydrophobicContact CG2-CG2 4.34Å; P549-I580 HydrophobicContact CB-CD1 4.01Å; V553-I580 HydrophobicContact CG2-CD1 4.42Å; V553-I580 HydrophobicContact CG2-CG2 3.59Å; I580-I582 HydrophobicContact CG2-CG1 4.33Å; I580-L640 CarbonylContact O-C 3.51Å; I580-L640 WeakPolarHBondContact O-CA 3.16Å; I580-Y641 PolarHBondContact N-O 2.89Å; I580-Y641 VanDerWaalsContact N-O 3.08Å; I580-Y641 PolarHBondContact O-N 3.36Å; I580-L643 HydrophobicContact CD1-CD2 3.55Å; I580-L643 HydrophobicContact CD1-CG 4.48Å; I580-L646 HydrophobicContact CD1-CD1 4.09Å
581	D	96.1	Very high	95.3	Very high	35 Å²	35	59.8 Å²	59.8	19%	0.187	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	105.3	169.8	-170.9	-30.8	0	0	0	110.4	Q583 Q584 E585 H639 L640	D581-Q583 VanDerWaalsContact C-N 3.27Å; D581-Q583 PolarHBondContact O-N 3.48Å; D581-Q583 WeakPolarHBondContact OD1-CA 3.43Å; D581-Q583 WeakPolarHBondContact OD1-CB 3.45Å; D581-Q583 PolarHBondContact OD1-N 3.34Å; D581-Q584 HydrophobicContact CB-CB 4.18Å; D581-Q584 HydrophobicContact CB-CG 4.13Å; D581-Q584 PolarHBondContact O-N 3.45Å; D581-Q584 PolarHBondContact OD1-N 2.96Å; D581-Q584 PolarHBondContact OD2-NE2 3.01Å; D581-E585 WeakPolarHBondContact O-CB 3.48Å; D581-E585 WeakPolarHBondContact O-CG 3.47Å; D581-E585 PolarHBondContact O-N 3.07Å; D581-H639 WeakPolarHBondContact CA-O 3.35Å; D581-H639 VanDerWaalsContact OD1-CB 3.23Å; D581-H639 WeakPolarHBondContact OD1-CB 3.27Å; D581-L640 HydrophobicContact CB-CD1 4.11Å
582	I	95.8	Very high	95.2	Very high	1 Å²	1	66.8 Å²	66.8	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-67.6	-29.8	-177.4	-57.5	177.8	0	0	0	111.6	I580 Q584 N586 L589 Y590 L596 H639 Y641 L646	I580-I582 HydrophobicContact CG2-CG1 4.33Å; I582-Q584 VanDerWaalsContact C-N 3.27Å; I582-Q584 PolarHBondContact O-N 3.42Å; I582-N586 CarbonylContact O-C 3.58Å; I582-N586 PolarHBondContact O-N 2.88Å; I582-L589 HydrophobicContact CD1-CD2 4.44Å; I582-L589 HydrophobicContact CG2-CB 4.02Å; I582-L589 HydrophobicContact CG2-CD2 3.79Å; I582-Y590 HydrophobicContact CB-CE2 4.15Å; I582-Y590 HydrophobicContact CG2-CD2 4.31Å; I582-Y590 HydrophobicContact CG2-CE1 4.34Å; I582-Y590 HydrophobicContact CG2-CE2 3.82Å; I582-L596 HydrophobicContact CD1-CD1 3.74Å; I582-L596 HydrophobicContact CD1-CD2 3.72Å; I582-L596 HydrophobicContact CD1-CG 4.26Å; I582-L596 HydrophobicContact CG2-CD2 4.32Å; I582-H639 PolarHBondContact N-O 3.2Å; I582-Y641 HydrophobicContact CD1-CD2 3.48Å; I582-Y641 VanDerWaalsContact CD1-CD2 3.48Å; I582-Y641 HydrophobicContact CD1-CE2 3.49Å; I582-Y641 VanDerWaalsContact CD1-CE2 3.49Å; I582-Y641 HydrophobicContact CD1-CG 4.19Å; I582-Y641 HydrophobicContact CG1-CD2 3.78Å; I582-Y641 HydrophobicContact CG1-CE2 4.02Å; I582-L646 HydrophobicContact CD1-CD2 3.87Å
583	Q	94.8	Very high	95.1	Very high	55 Å²	55	62.6 Å²	62.6	26%	0.257	30%	0.296	S	S	.	.	H	α-helix	trans	-72	-26.1	-179.8	-173.3	63.9	29.5	0	0	111.8	D581 Y590 H639	D581-Q583 VanDerWaalsContact C-N 3.27Å; D581-Q583 PolarHBondContact O-N 3.48Å; D581-Q583 WeakPolarHBondContact OD1-CA 3.43Å; D581-Q583 WeakPolarHBondContact OD1-CB 3.45Å; D581-Q583 PolarHBondContact OD1-N 3.34Å; Q583-Y590 HydrophobicContact CB-CE2 4.44Å; Q583-H639 HydrophobicContact CB-CB 3.62Å; Q583-H639 VanDerWaalsContact CB-CG 3.43Å
584	Q	94.4	Very high	95.1	Very high	157 Å²	157	59.4 Å²	59.4	73%	0.734	29%	0.288	S	S	*	.	H	α-helix	trans	-84.8	-41.6	173.1	-63.8	-176.4	61	0	0	112.2	D581 I582	D581-Q584 HydrophobicContact CB-CB 4.18Å; D581-Q584 HydrophobicContact CB-CG 4.13Å; D581-Q584 PolarHBondContact O-N 3.45Å; D581-Q584 PolarHBondContact OD1-N 2.96Å; D581-Q584 PolarHBondContact OD2-NE2 3.01Å; I582-Q584 VanDerWaalsContact C-N 3.27Å; I582-Q584 PolarHBondContact O-N 3.42Å
585	E	93.8	Very high	95.2	Very high	74 Å²	74	62.5 Å²	62.5	35%	0.346	31%	0.308	S	S	.	.	H	α-helix	trans	-81.4	-46.4	-174.2	-69.2	-76.5	175.4	0	0	114.1	T497 V553 H554 D581	T497-E585 WeakPolarHBondContact CB-OE1 3.46Å; T497-E585 WeakPolarHBondContact CB-OE2 3.22Å; T497-E585 HydrophobicContact CG2-CG 3.95Å; T497-E585 WeakPolarHBondContact CG2-OE1 3.4Å; T497-E585 VanDerWaalsContact OG1-CD 3.23Å; T497-E585 PolarHBondContact OG1-OE1 3.42Å; T497-E585 PolarHBondContact OG1-OE2 2.89Å; V553-E585 HydrophobicContact CG1-CB 3.54Å; V553-E585 HydrophobicContact CG1-CG 4.33Å; H554-E585 IonicContact NE2-OE2 3.13Å; D581-E585 WeakPolarHBondContact O-CB 3.48Å; D581-E585 WeakPolarHBondContact O-CG 3.47Å; D581-E585 PolarHBondContact O-N 3.07Å
586	N	94.6	Very high	95.2	Very high	30 Å²	30	59.3 Å²	59.3	16%	0.16	30%	0.295	C	S	.	.			trans	-158.3	79.7	-177.9	-174.8	5.6	0	0	0	111.8	V553 H554 I582 M588 L589	V553-N586 HydrophobicContact CG1-CB 4.25Å; V553-N586 WeakPolarHBondContact O-CB 3.37Å; V553-N586 PolarHBondContact O-ND2 2.69Å; H554-N586 PolarHBondContact O-ND2 3.05Å; I582-N586 CarbonylContact O-C 3.58Å; I582-N586 PolarHBondContact O-N 2.88Å; N586-M588 PolarHBondContact O-N 2.9Å; N586-M588 PolarHBondContact OD1-N 2.76Å; N586-L589 HydrophobicContact CB-CB 4.33Å; N586-L589 WeakPolarHBondContact O-CB 3.22Å; N586-L589 PolarHBondContact O-N 3.07Å; N586-L589 PolarHBondContact OD1-N 3.13Å
587	P	94.4	Very high	95.2	Very high	48 Å²	48	55.1 Å²	55.1	31%	0.312	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-19.3	-179.1	25.9	-34.8	0	0	0	113.8	L589	P587-L589 PolarHBondContact O-N 3.41Å
588	M	94.5	Very high	95.3	Very high	86 Å²	86	52.2 Å²	52.2	42%	0.424	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-20.7	173.7	-64	-62	-62.4	0	0	112.4	N586 Y590 Q591 H592	N586-M588 PolarHBondContact O-N 2.9Å; N586-M588 PolarHBondContact OD1-N 2.76Å; M588-Y590 PolarHBondContact O-N 2.96Å; M588-Q591 WeakPolarHBondContact O-CB 3.38Å; M588-Q591 PolarHBondContact O-N 2.71Å; M588-Q591 PolarHBondContact SD-NE2 3.15Å; M588-Q591 VanDerWaalsContact SD-NE2 3.37Å; M588-H592 PolarHBondContact O-CD2 2.86Å; M588-H592 VanDerWaalsContact O-CD2 3.26Å; M588-H592 PolarHBondContact O-N 3.28Å
589	L	94.3	Very high	95.3	Very high	7 Å²	7	50.8 Å²	50.8	4%	0.037	26%	0.258	C	S	.	.	H	α-helix	trans	-57.5	-35.2	178.4	-163.9	68.1	0	0	0	112	W556 I582 N586 P587 Q591 H592 V593 L596	W556-L589 HydrophobicContact CB-CD1 4.09Å; W556-L589 HydrophobicContact CE3-CD1 4.09Å; W556-L589 HydrophobicContact CE3-CD2 3.93Å; W556-L589 HydrophobicContact CE3-CG 4.2Å; W556-L589 HydrophobicContact CZ3-CD2 4.14Å; I582-L589 HydrophobicContact CD1-CD2 4.44Å; I582-L589 HydrophobicContact CG2-CB 4.02Å; I582-L589 HydrophobicContact CG2-CD2 3.79Å; N586-L589 HydrophobicContact CB-CB 4.33Å; N586-L589 WeakPolarHBondContact O-CB 3.22Å; N586-L589 PolarHBondContact O-N 3.07Å; N586-L589 PolarHBondContact OD1-N 3.13Å; P587-L589 PolarHBondContact O-N 3.41Å; L589-Q591 VanDerWaalsContact C-N 3.26Å; L589-Q591 PolarHBondContact O-N 3.11Å; L589-H592 PolarHBondContact O-N 3.06Å; L589-V593 HydrophobicContact CD1-CG2 3.83Å; L589-V593 HydrophobicContact CG-CG2 4.09Å; L589-V593 VanDerWaalsContact O-CB 3.3Å; L589-V593 WeakPolarHBondContact O-CB 3.39Å; L589-V593 WeakPolarHBondContact O-CG2 3.45Å; L589-V593 PolarHBondContact O-N 3.09Å; L589-L596 HydrophobicContact CB-CD2 4.37Å; L589-L596 HydrophobicContact CD2-CD2 3.72Å; L589-L596 HydrophobicContact CG-CD2 3.82Å
590	Y	95.4	Very high	95.3	Very high	18 Å²	18	47.7 Å²	47.7	7%	0.071	24%	0.242	C	C	.	.	H	α-helix	trans	-65.3	-24.4	175.3	-64.9	-63.7	0	0	0	113.8	I582 Q583 M588 L596 A597 V600 H639	I582-Y590 HydrophobicContact CB-CE2 4.15Å; I582-Y590 HydrophobicContact CG2-CD2 4.31Å; I582-Y590 HydrophobicContact CG2-CE1 4.34Å; I582-Y590 HydrophobicContact CG2-CE2 3.82Å; Q583-Y590 HydrophobicContact CB-CE2 4.44Å; M588-Y590 PolarHBondContact O-N 2.96Å; Y590-L596 HydrophobicContact CD1-CD2 3.87Å; Y590-L596 HydrophobicContact CD1-CG 3.78Å; Y590-L596 HydrophobicContact CE1-CD1 4.43Å; Y590-L596 HydrophobicContact CE1-CD2 4.02Å; Y590-L596 HydrophobicContact CE1-CG 3.84Å; Y590-A597 VanDerWaalsContact O-CB 3.3Å; Y590-A597 WeakPolarHBondContact O-CB 3.24Å; Y590-V600 HydrophobicContact CD1-CB 4.05Å; Y590-V600 HydrophobicContact CD1-CG1 3.56Å; Y590-V600 HydrophobicContact CE1-CB 3.61Å; Y590-V600 HydrophobicContact CE1-CG1 3.69Å; Y590-V600 HydrophobicContact CE1-CG2 4.04Å; Y590-V600 HydrophobicContact CG-CG1 4.28Å; Y590-H639 AromaticContact CE2-ND1 3.97Å; Y590-H639 AromaticContact CZ-ND1 3.79Å; Y590-H639 PolarHBondContact OH-ND1 3.48Å; Y590-H639 VanDerWaalsContact OH-ND1 3.13Å
591	Q	94.6	Very high	95.1	Very high	91 Å²	91	52 Å²	52	43%	0.425	26%	0.258	S	S	.	.	H	α-helix	trans	-83.5	-31.8	177.6	-60.7	175.9	28.1	0	0	111.9	I30 M588 L589	I30-Q591 HydrophobicContact CG2-CG 3.64Å; M588-Q591 WeakPolarHBondContact O-CB 3.38Å; M588-Q591 PolarHBondContact O-N 2.71Å; M588-Q591 PolarHBondContact SD-NE2 3.15Å; M588-Q591 VanDerWaalsContact SD-NE2 3.37Å; L589-Q591 VanDerWaalsContact C-N 3.26Å; L589-Q591 PolarHBondContact O-N 3.11Å
592	H	94.2	Very high	95.1	Very high	146 Å²	146	51.7 Å²	51.7	68%	0.676	26%	0.257	S	S	*	.	H	α-helix	trans	-94	-11.2	-175.9	-60	-53	0	0	0	113.9	M588 L589	M588-H592 PolarHBondContact O-CD2 2.86Å; M588-H592 VanDerWaalsContact O-CD2 3.26Å; M588-H592 PolarHBondContact O-N 3.28Å; L589-H592 PolarHBondContact O-N 3.06Å
593	V	96.3	Very high	95.1	Very high	9 Å²	9	51.7 Å²	51.7	6%	0.055	26%	0.256	C	S	.	.			trans	-127.2	86.2	-174.1	-174.3	0	0	0	0	110.8	W556 L589 P595 L596 A597	W556-V593 HydrophobicContact CB-CG2 3.83Å; W556-V593 HydrophobicContact CD2-CB 4.38Å; W556-V593 HydrophobicContact CD2-CG1 3.69Å; W556-V593 HydrophobicContact CD2-CG2 3.77Å; W556-V593 HydrophobicContact CE3-CG1 4.22Å; W556-V593 HydrophobicContact CE3-CG2 4.19Å; W556-V593 HydrophobicContact CG-CG1 4.08Å; W556-V593 HydrophobicContact CG-CG2 3.58Å; W556-V593 HydrophobicContact CH2-CG1 4.22Å; W556-V593 HydrophobicContact CZ2-CG1 3.69Å; W556-V593 HydrophobicContact CZ3-CG1 4.46Å; L589-V593 HydrophobicContact CD1-CG2 3.83Å; L589-V593 HydrophobicContact CG-CG2 4.09Å; L589-V593 VanDerWaalsContact O-CB 3.3Å; L589-V593 WeakPolarHBondContact O-CB 3.39Å; L589-V593 WeakPolarHBondContact O-CG2 3.45Å; L589-V593 PolarHBondContact O-N 3.09Å; V593-P595 VanDerWaalsContact C-CD 3.49Å; V593-L596 HydrophobicContact CB-CB 3.99Å; V593-L596 HydrophobicContact CG1-CB 3.65Å; V593-L596 WeakPolarHBondContact O-CA 3.1Å; V593-L596 WeakPolarHBondContact O-CB 3.48Å; V593-L596 PolarHBondContact O-N 3.15Å; V593-A597 PolarHBondContact O-N 2.92Å
594	E	95.6	Very high	94.9	Very high	107 Å²	107	51.6 Å²	51.6	50%	0.5	26%	0.256	S	S	.	.	H	α-helix	trans	-55.4	-38.1	-178.9	179.9	53.4	-135.8	0	0	114.7	L596 A597 T598 R601	E594-L596 PolarHBondContact O-N 2.93Å; E594-A597 WeakPolarHBondContact O-CB 3.42Å; E594-A597 PolarHBondContact O-N 2.64Å; E594-T598 WeakPolarHBondContact O-CB 3.33Å; E594-T598 PolarHBondContact O-N 2.61Å; E594-T598 PolarHBondContact O-OG1 2.94Å; E594-T598 PolarHBondContact OE1-OG1 3.37Å; E594-R601 IonicContact OE1-CZ 3.17Å; E594-R601 IonicContact OE1-NH1 3.76Å; E594-R601 IonicContact OE1-NH2 3.61Å; E594-R601 PolarHBondContact OE1-NH2 3.28Å
595	P	96.5	Very high	94.8	Very high	72 Å²	72	46 Å²	46	47%	0.468	23%	0.23	S	C	.	.	H	α-helix	trans	-58	-32.5	174.1	-27.3	36.5	0	0	0	113.5	V593 V599 V649	V593-P595 VanDerWaalsContact C-CD 3.49Å; P595-V599 WeakPolarHBondContact O-CG2 3.33Å; P595-V599 PolarHBondContact O-N 3.49Å; P595-V649 HydrophobicContact CB-CG1 3.84Å
596	L	96.4	Very high	94.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-81.8	-38.9	176.9	-173.2	71.1	0	0	0	111.4	W556 I582 L589 Y590 V593 E594 T598 V599 V600 Y641 L646 V649	W556-L596 HydrophobicContact CH2-CB 4.46Å; W556-L596 HydrophobicContact CH2-CD1 4.38Å; W556-L596 HydrophobicContact CZ3-CD2 4.13Å; I582-L596 HydrophobicContact CD1-CD1 3.74Å; I582-L596 HydrophobicContact CD1-CD2 3.72Å; I582-L596 HydrophobicContact CD1-CG 4.26Å; I582-L596 HydrophobicContact CG2-CD2 4.32Å; L589-L596 HydrophobicContact CB-CD2 4.37Å; L589-L596 HydrophobicContact CD2-CD2 3.72Å; L589-L596 HydrophobicContact CG-CD2 3.82Å; Y590-L596 HydrophobicContact CD1-CD2 3.87Å; Y590-L596 HydrophobicContact CD1-CG 3.78Å; Y590-L596 HydrophobicContact CE1-CD1 4.43Å; Y590-L596 HydrophobicContact CE1-CD2 4.02Å; Y590-L596 HydrophobicContact CE1-CG 3.84Å; V593-L596 HydrophobicContact CB-CB 3.99Å; V593-L596 HydrophobicContact CG1-CB 3.65Å; V593-L596 WeakPolarHBondContact O-CA 3.1Å; V593-L596 WeakPolarHBondContact O-CB 3.48Å; V593-L596 PolarHBondContact O-N 3.15Å; E594-L596 PolarHBondContact O-N 2.93Å; L596-T598 VanDerWaalsContact C-N 3.34Å; L596-T598 PolarHBondContact O-N 3.14Å; L596-V599 PolarHBondContact O-N 3.3Å; L596-V599 VanDerWaalsContact O-N 3.09Å; L596-V600 PolarHBondContact O-N 3.16Å; L596-Y641 HydrophobicContact CD1-CE1 4.18Å; L596-L646 HydrophobicContact CD1-CD2 4.32Å; L596-V649 HydrophobicContact CB-CG1 4.2Å; L596-V649 HydrophobicContact CD1-CG1 4.34Å; L596-V649 HydrophobicContact CD1-CG2 4.21Å
597	A	95.5	Very high	94.6	Very high	13 Å²	13	42.6 Å²	42.6	11%	0.107	21%	0.213	C	C	.	.	H	α-helix	trans	-56.6	-47.3	171.8	0	0	0	0	0	111.5	Y590 V593 E594 V599 V600 R601	Y590-A597 VanDerWaalsContact O-CB 3.3Å; Y590-A597 WeakPolarHBondContact O-CB 3.24Å; V593-A597 PolarHBondContact O-N 2.92Å; E594-A597 WeakPolarHBondContact O-CB 3.42Å; E594-A597 PolarHBondContact O-N 2.64Å; A597-V599 VanDerWaalsContact C-N 3.32Å; A597-V599 PolarHBondContact O-N 3.38Å; A597-V600 VanDerWaalsContact O-CG1 3.32Å; A597-V600 WeakPolarHBondContact O-CG1 3.39Å; A597-V600 PolarHBondContact O-N 3.48Å; A597-R601 WeakPolarHBondContact O-CB 3.32Å; A597-R601 PolarHBondContact O-N 3.02Å
598	T	95.9	Very high	94.4	Very high	38 Å²	38	41.3 Å²	41.3	23%	0.233	21%	0.205	C	C	.	.	H	α-helix	trans	-56.9	-43.1	171.7	-78.2	0	0	0	0	111.6	E594 L596 R601 L602 A655	E594-T598 WeakPolarHBondContact O-CB 3.33Å; E594-T598 PolarHBondContact O-N 2.61Å; E594-T598 PolarHBondContact O-OG1 2.94Å; E594-T598 PolarHBondContact OE1-OG1 3.37Å; L596-T598 VanDerWaalsContact C-N 3.34Å; L596-T598 PolarHBondContact O-N 3.14Å; T598-R601 PolarHBondContact OG1-NH2 3Å; T598-L602 HydrophobicContact CG2-CD1 3.85Å; T598-L602 WeakPolarHBondContact O-CB 3.32Å; T598-L602 WeakPolarHBondContact O-CD1 3.45Å; T598-L602 WeakPolarHBondContact O-CG 3.3Å; T598-L602 PolarHBondContact O-N 3.09Å; T598-A655 HydrophobicContact CG2-CB 3.92Å
599	V	96.6	Very high	94.3	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.012	19%	0.185	C	C	.	.	H	α-helix	trans	-70.2	-40.6	-179.6	164.6	0	0	0	0	112.9	P595 L596 A597 L602 R603 Y641 V649 L654 A655 L658	P595-V599 WeakPolarHBondContact O-CG2 3.33Å; P595-V599 PolarHBondContact O-N 3.49Å; L596-V599 PolarHBondContact O-N 3.3Å; L596-V599 VanDerWaalsContact O-N 3.09Å; A597-V599 VanDerWaalsContact C-N 3.32Å; A597-V599 PolarHBondContact O-N 3.38Å; V599-L602 PolarHBondContact O-N 3.3Å; V599-R603 WeakPolarHBondContact O-CG 3.43Å; V599-R603 PolarHBondContact O-N 3.16Å; V599-Y641 HydrophobicContact CG1-CE1 3.87Å; V599-V649 HydrophobicContact CG1-CG2 4.48Å; V599-V649 HydrophobicContact CG2-CG2 4.26Å; V599-L654 HydrophobicContact CG1-CD2 3.84Å; V599-L654 HydrophobicContact CG1-CG 4.25Å; V599-L654 HydrophobicContact CG2-CB 4.35Å; V599-L654 HydrophobicContact CG2-CD2 4.47Å; V599-L654 HydrophobicContact CG2-CG 4.31Å; V599-A655 HydrophobicContact CG2-CB 3.92Å; V599-L658 HydrophobicContact CG1-CD1 4.03Å
600	V	95.1	Very high	94.2	Very high	12 Å²	12	39 Å²	39	7%	0.073	19%	0.191	C	C	.	.	H	α-helix	trans	-67.5	-38.9	176.4	68.2	0	0	0	0	111.6	Y590 L596 A597 L602 R603 Q604	Y590-V600 HydrophobicContact CD1-CB 4.05Å; Y590-V600 HydrophobicContact CD1-CG1 3.56Å; Y590-V600 HydrophobicContact CE1-CB 3.61Å; Y590-V600 HydrophobicContact CE1-CG1 3.69Å; Y590-V600 HydrophobicContact CE1-CG2 4.04Å; Y590-V600 HydrophobicContact CG-CG1 4.28Å; L596-V600 PolarHBondContact O-N 3.16Å; A597-V600 VanDerWaalsContact O-CG1 3.32Å; A597-V600 WeakPolarHBondContact O-CG1 3.39Å; A597-V600 PolarHBondContact O-N 3.48Å; V600-L602 PolarHBondContact O-N 3.19Å; V600-R603 CarbonylContact O-C 3.54Å; V600-R603 PolarHBondContact O-N 3.33Å; V600-R603 VanDerWaalsContact O-N 3.1Å; V600-Q604 WeakPolarHBondContact O-CG 3.25Å; V600-Q604 PolarHBondContact O-N 3.4Å; V600-Q604 PolarHBondContact O-OE1 3.01Å
601	R	93.4	Very high	93.9	Very high	90 Å²	90	38.4 Å²	38.4	34%	0.34	19%	0.19	S	C	.	.	H	α-helix	trans	-57	-47.6	171.7	179.4	167.4	58.1	-121	2.2	111.8	E594 A597 T598 R603 Q604 Q605 D696	E594-R601 IonicContact OE1-CZ 3.17Å; E594-R601 IonicContact OE1-NH1 3.76Å; E594-R601 IonicContact OE1-NH2 3.61Å; E594-R601 PolarHBondContact OE1-NH2 3.28Å; A597-R601 WeakPolarHBondContact O-CB 3.32Å; A597-R601 PolarHBondContact O-N 3.02Å; T598-R601 PolarHBondContact OG1-NH2 3Å; R601-R603 VanDerWaalsContact C-N 3.35Å; R601-R603 PolarHBondContact O-N 3.34Å; R601-Q604 PolarHBondContact O-N 2.64Å; R601-Q605 WeakPolarHBondContact O-CB 3.43Å; R601-Q605 PolarHBondContact O-N 3.38Å; R601-D696 WeakPolarHBondContact CD-OD2 3.35Å; R601-D696 VanDerWaalsContact CG-OD2 3.29Å; R601-D696 WeakPolarHBondContact CG-OD2 3.2Å
602	L	95.2	Very high	93.8	Very high	30 Å²	30	34.1 Å²	34.1	16%	0.157	17%	0.17	C	C	.	.	H	α-helix	trans	-63.2	-36.6	174.2	-68.9	167.3	0	0	0	112.6	T598 V599 V600 L606 A655 L658 I662	T598-L602 HydrophobicContact CG2-CD1 3.85Å; T598-L602 WeakPolarHBondContact O-CB 3.32Å; T598-L602 WeakPolarHBondContact O-CD1 3.45Å; T598-L602 WeakPolarHBondContact O-CG 3.3Å; T598-L602 PolarHBondContact O-N 3.09Å; V599-L602 PolarHBondContact O-N 3.3Å; V600-L602 PolarHBondContact O-N 3.19Å; L602-L606 VanDerWaalsContact O-CB 3.25Å; L602-L606 WeakPolarHBondContact O-CB 3.1Å; L602-L606 PolarHBondContact O-N 3.28Å; L602-A655 HydrophobicContact CD1-CB 3.65Å; L602-L658 HydrophobicContact CB-CB 4.2Å; L602-L658 HydrophobicContact CB-CD1 4.09Å; L602-L658 HydrophobicContact CD1-CB 4.39Å; L602-I662 HydrophobicContact CB-CD1 3.84Å; L602-I662 HydrophobicContact CD2-CD1 3.56Å; L602-I662 HydrophobicContact CG-CD1 4.28Å; L602-I662 WeakPolarHBondContact O-CD1 3.4Å
603	R	95.1	Very high	93.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-70.4	-35.7	175.5	-71.4	177.6	77.6	176.5	3.8	112.6	V599 V600 R601 L606 K607 Y633 L634 Q637 I638 L640 L658	V599-R603 WeakPolarHBondContact O-CG 3.43Å; V599-R603 PolarHBondContact O-N 3.16Å; V600-R603 CarbonylContact O-C 3.54Å; V600-R603 PolarHBondContact O-N 3.33Å; V600-R603 VanDerWaalsContact O-N 3.1Å; R601-R603 VanDerWaalsContact C-N 3.35Å; R601-R603 PolarHBondContact O-N 3.34Å; R603-L606 PolarHBondContact O-N 3.36Å; R603-K607 VanDerWaalsContact O-CB 3.32Å; R603-K607 WeakPolarHBondContact O-CB 3.47Å; R603-K607 PolarHBondContact O-N 3.04Å; R603-Y633 PolarHBondContact NH2-O 3.42Å; R603-L634 PolarHBondContact NE-O 3.21Å; R603-Q637 PolarHBondContact NH2-O 2.89Å; R603-I638 HydrophobicContact CB-CB 4.18Å; R603-I638 HydrophobicContact CB-CG2 4.04Å; R603-I638 VanDerWaalsContact CZ-O 3.25Å; R603-I638 PolarHBondContact NE-O 3.3Å; R603-I638 PolarHBondContact NH1-O 3.45Å; R603-L640 VanDerWaalsContact CZ-O 3.28Å; R603-L640 PolarHBondContact NH1-O 3.46Å; R603-L640 PolarHBondContact NH2-O 3.48Å; R603-L658 HydrophobicContact CG-CD1 3.91Å
604	Q	91.5	Very high	93.7	Very high	54 Å²	54	29.8 Å²	29.8	25%	0.252	15%	0.149	S	C	.	.	H	α-helix	trans	-64	-47.5	171.4	-72.6	167.4	-53	0	0	111.1	V600 R601 L606 K607 S608 I638	V600-Q604 WeakPolarHBondContact O-CG 3.25Å; V600-Q604 PolarHBondContact O-N 3.4Å; V600-Q604 PolarHBondContact O-OE1 3.01Å; R601-Q604 PolarHBondContact O-N 2.64Å; Q604-L606 VanDerWaalsContact C-N 3.28Å; Q604-L606 PolarHBondContact O-N 2.86Å; Q604-K607 WeakPolarHBondContact O-CB 3.39Å; Q604-K607 PolarHBondContact O-N 3.27Å; Q604-K607 VanDerWaalsContact O-N 3.16Å; Q604-S608 PolarHBondContact O-N 2.83Å; Q604-I638 HydrophobicContact CG-CD1 3.61Å
605	Q	92.7	Very high	93.5	Very high	40 Å²	40	27.6 Å²	27.6	19%	0.187	15%	0.145	C	C	.	.	H	α-helix	trans	-56.5	-43.3	174.3	-166.2	175.7	42.8	0	0	111.8	R601 S608 L609 I662 F694	R601-Q605 WeakPolarHBondContact O-CB 3.43Å; R601-Q605 PolarHBondContact O-N 3.38Å; Q605-S608 PolarHBondContact O-N 3.18Å; Q605-L609 HydrophobicContact CG-CD1 4.22Å; Q605-L609 WeakPolarHBondContact O-CD1 3.4Å; Q605-L609 WeakPolarHBondContact O-CG 3.38Å; Q605-L609 PolarHBondContact O-N 3.01Å; Q605-I662 HydrophobicContact CG-CG2 4.38Å; Q605-F694 HydrophobicContact CG-CB 3.84Å; Q605-F694 WeakPolarHBondContact CG-O 3.48Å; Q605-F694 PolarHBondContact NE2-O 2.8Å
606	L	93.3	Very high	93.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-70	-33.5	178.1	-173.3	61.3	0	0	0	113.3	L602 R603 Q604 L609 R610 L624 I628 L635 L658 V661 I662	L602-L606 VanDerWaalsContact O-CB 3.25Å; L602-L606 WeakPolarHBondContact O-CB 3.1Å; L602-L606 PolarHBondContact O-N 3.28Å; R603-L606 PolarHBondContact O-N 3.36Å; Q604-L606 VanDerWaalsContact C-N 3.28Å; Q604-L606 PolarHBondContact O-N 2.86Å; L606-L609 PolarHBondContact O-N 2.85Å; L606-R610 PolarHBondContact O-N 2.76Å; L606-L624 HydrophobicContact CD1-CD1 4.3Å; L606-I628 HydrophobicContact CD2-CD1 3.99Å; L606-L635 HydrophobicContact CD1-CD2 4.12Å; L606-L635 HydrophobicContact CD2-CD2 3.95Å; L606-L635 HydrophobicContact CG-CD2 3.74Å; L606-L658 HydrophobicContact CD2-CD2 3.89Å; L606-V661 HydrophobicContact CD1-CG1 4.24Å; L606-I662 HydrophobicContact CB-CD1 4.42Å; L606-I662 HydrophobicContact CB-CG1 4.1Å; L606-I662 HydrophobicContact CD1-CG1 4.07Å
607	K	90.3	Very high	93.1	Very high	32 Å²	32	33.1 Å²	33.1	14%	0.139	16%	0.16	C	C	.	.	H	α-helix	trans	-63.3	-45.2	171.5	-177.9	-162.8	-172.7	-170.1	0	111	F23 D24 R603 Q604 R610 I638	F23-K607 PolarHBondContact O-NZ 2.84Å; D24-K607 IonicContact OD1-NZ 3.98Å; D24-K607 PolarHBondContact OD1-NZ 3.41Å; D24-K607 IonicContact OD2-NZ 3.83Å; D24-K607 PolarHBondContact OD2-NZ 3.44Å; R603-K607 VanDerWaalsContact O-CB 3.32Å; R603-K607 WeakPolarHBondContact O-CB 3.47Å; R603-K607 PolarHBondContact O-N 3.04Å; Q604-K607 WeakPolarHBondContact O-CB 3.39Å; Q604-K607 PolarHBondContact O-N 3.27Å; Q604-K607 VanDerWaalsContact O-N 3.16Å; K607-R610 WeakPolarHBondContact O-CB 3.3Å; K607-R610 PolarHBondContact O-N 3.45Å; K607-I638 HydrophobicContact CB-CG2 4.05Å; K607-I638 HydrophobicContact CD-CG2 3.88Å; K607-I638 HydrophobicContact CG-CG2 4.34Å
608	S	89.4	Confident	93	Very high	21 Å²	21	36.2 Å²	36.2	15%	0.147	19%	0.186	C	C	.	.	H	α-helix	trans	-60.1	-46.2	171.6	-69.7	0	0	0	0	111.6	Q604 Q605 R610 A611 Y612 P693	Q604-S608 PolarHBondContact O-N 2.83Å; Q605-S608 PolarHBondContact O-N 3.18Å; S608-R610 VanDerWaalsContact C-N 3.34Å; S608-R610 PolarHBondContact O-N 2.91Å; S608-A611 VanDerWaalsContact O-CB 3.26Å; S608-A611 WeakPolarHBondContact O-CB 3.47Å; S608-A611 PolarHBondContact O-N 2.94Å; S608-Y612 WeakPolarHBondContact O-CD2 3.45Å; S608-P693 PolarHBondContact OG-O 2.84Å; S608-P693 VanDerWaalsContact OG-O 3.05Å
609	L	92.9	Very high	92.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65	-32.5	178.6	-76.5	160.2	0	0	0	113.7	Q605 L606 A611 Y612 L613 I662 A665 T666 V669 F694	Q605-L609 HydrophobicContact CG-CD1 4.22Å; Q605-L609 WeakPolarHBondContact O-CD1 3.4Å; Q605-L609 WeakPolarHBondContact O-CG 3.38Å; Q605-L609 PolarHBondContact O-N 3.01Å; L606-L609 PolarHBondContact O-N 2.85Å; L609-A611 PolarHBondContact O-N 2.84Å; L609-Y612 PolarHBondContact O-N 3.35Å; L609-L613 WeakPolarHBondContact O-CD1 3.44Å; L609-L613 PolarHBondContact O-N 2.96Å; L609-I662 HydrophobicContact CD1-CB 4.44Å; L609-I662 HydrophobicContact CD1-CG1 4.43Å; L609-I662 HydrophobicContact CD1-CG2 3.92Å; L609-A665 HydrophobicContact CB-CB 4.03Å; L609-A665 HydrophobicContact CD1-CB 4.11Å; L609-A665 HydrophobicContact CD2-CB 4.08Å; L609-A665 HydrophobicContact CG-CB 4.31Å; L609-T666 HydrophobicContact CD1-CG2 3.72Å; L609-T666 HydrophobicContact CD2-CG2 3.85Å; L609-T666 HydrophobicContact CG-CG2 4.41Å; L609-V669 HydrophobicContact CD2-CG2 3.98Å; L609-F694 HydrophobicContact CD1-CB 4.33Å; L609-F694 HydrophobicContact CD1-CG 4.39Å; L609-F694 HydrophobicContact CD2-CB 4.37Å; L609-F694 HydrophobicContact CD2-CD1 3.36Å; L609-F694 HydrophobicContact CD2-CD2 4.14Å; L609-F694 HydrophobicContact CD2-CE1 3.5Å; L609-F694 HydrophobicContact CD2-CE2 4.28Å; L609-F694 HydrophobicContact CD2-CG 3.7Å; L609-F694 HydrophobicContact CD2-CZ 3.98Å; L609-F694 HydrophobicContact CG-CB 3.91Å; L609-F694 HydrophobicContact CG-CD1 3.75Å; L609-F694 HydrophobicContact CG-CD2 4.49Å; L609-F694 HydrophobicContact CG-CE1 4.39Å; L609-F694 HydrophobicContact CG-CG 3.81Å
610	R	92.3	Very high	92.7	Very high	43 Å²	43	38.5 Å²	38.5	16%	0.162	21%	0.207	C	C	.	.	H	α-helix	trans	-53.9	-41.5	174.5	-172.4	-165.5	172.6	131.6	-10	111.1	L606 K607 S608 Y612 L613 F614 L635 Q636	L606-R610 PolarHBondContact O-N 2.76Å; K607-R610 WeakPolarHBondContact O-CB 3.3Å; K607-R610 PolarHBondContact O-N 3.45Å; S608-R610 VanDerWaalsContact C-N 3.34Å; S608-R610 PolarHBondContact O-N 2.91Å; R610-Y612 VanDerWaalsContact C-N 3.34Å; R610-Y612 PolarHBondContact O-N 2.92Å; R610-L613 PolarHBondContact O-N 2.8Å; R610-F614 HydrophobicContact CG-CD2 3.45Å; R610-F614 VanDerWaalsContact CG-CD2 3.45Å; R610-F614 HydrophobicContact CG-CE2 3.61Å; R610-F614 HydrophobicContact CG-CG 4.11Å; R610-F614 HydrophobicContact CG-CZ 4.37Å; R610-F614 WeakPolarHBondContact O-CB 3.3Å; R610-F614 WeakPolarHBondContact O-CD2 3.46Å; R610-F614 PolarHBondContact O-N 3.01Å; R610-L635 VanDerWaalsContact NH1-CB 3.27Å; R610-Q636 VanDerWaalsContact CZ-OE1 3.25Å
611	A	89.7	Confident	92.6	Very high	7 Å²	7	38.3 Å²	38.3	6%	0.058	21%	0.206	C	C	.	.	H	α-helix	trans	-55.4	-47.3	180	0	0	0	0	0	112.5	F19 F20 S608 L609 S615	F19-A611 HydrophobicContact CD1-CB 3.93Å; F19-A611 HydrophobicContact CE1-CB 3.39Å; F19-A611 HydrophobicContact CZ-CB 4.25Å; F20-A611 HydrophobicContact CD1-CB 4.36Å; F20-A611 HydrophobicContact CE1-CB 3.37Å; F20-A611 HydrophobicContact CZ-CB 3.54Å; S608-A611 VanDerWaalsContact O-CB 3.26Å; S608-A611 WeakPolarHBondContact O-CB 3.47Å; S608-A611 PolarHBondContact O-N 2.94Å; L609-A611 PolarHBondContact O-N 2.84Å; A611-S615 WeakPolarHBondContact O-CB 3.35Å; A611-S615 PolarHBondContact O-N 3.25Å; A611-S615 PolarHBondContact O-OG 2.8Å
612	Y	93	Very high	92.5	Very high	1 Å²	1	37.2 Å²	37.2	0%	0.004	21%	0.205	C	C	.	.	H	α-helix	trans	-65.8	-50.8	179.5	-70.7	-94.4	0	0	0	111.4	F20 S608 L609 R610 S615 C616 V669 C675 K678 Y692 P693 F694	F20-Y612 HydrophobicContact CE1-CE2 4.3Å; F20-Y612 HydrophobicContact CE2-CE2 4.43Å; F20-Y612 HydrophobicContact CZ-CD2 4.2Å; F20-Y612 AromaticContact CZ-CE2 3.56Å; F20-Y612 HydrophobicContact CZ-CE2 3.56Å; S608-Y612 WeakPolarHBondContact O-CD2 3.45Å; L609-Y612 PolarHBondContact O-N 3.35Å; R610-Y612 VanDerWaalsContact C-N 3.34Å; R610-Y612 PolarHBondContact O-N 2.92Å; Y612-S615 CarbonylContact O-C 3.59Å; Y612-S615 PolarHBondContact O-N 2.71Å; Y612-S615 PolarHBondContact O-OG 2.87Å; Y612-C616 WeakPolarHBondContact O-CB 3.48Å; Y612-C616 PolarHBondContact O-N 2.6Å; Y612-V669 HydrophobicContact CD1-CG1 4.16Å; Y612-V669 HydrophobicContact CD1-CG2 4.24Å; Y612-V669 HydrophobicContact CE1-CG1 4.5Å; Y612-V669 HydrophobicContact CG-CG2 3.95Å; Y612-C675 HydrophobicContact CD1-CB 4.34Å; Y612-K678 HydrophobicContact CD1-CB 4.05Å; Y612-K678 HydrophobicContact CE1-CB 3.58Å; Y612-K678 VanDerWaalsContact CE1-O 3.26Å; Y612-K678 WeakPolarHBondContact CE1-O 3.45Å; Y612-K678 PolarHBondContact OH-O 3.29Å; Y612-Y692 HydrophobicContact CE1-CD1 4.02Å; Y612-Y692 HydrophobicContact CE1-CE1 4.34Å; Y612-P693 HydrophobicContact CE2-CG 4.5Å; Y612-P693 WeakPolarHBondContact OH-CD 3.38Å; Y612-F694 HydrophobicContact CD2-CD1 4.35Å; Y612-F694 HydrophobicContact CD2-CE1 4.24Å; Y612-F694 HydrophobicContact CE2-CD1 4.19Å; Y612-F694 HydrophobicContact CE2-CE1 4.16Å
613	L	94	Very high	92.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-70.6	-37.2	-174	-85.4	69.8	0	0	0	112.8	L609 R610 C616 V620 L624 F664 A665 V669	L609-L613 WeakPolarHBondContact O-CD1 3.44Å; L609-L613 PolarHBondContact O-N 2.96Å; R610-L613 PolarHBondContact O-N 2.8Å; L613-C616 PolarHBondContact O-N 3.42Å; L613-V620 HydrophobicContact CB-CG1 4.34Å; L613-V620 HydrophobicContact CD2-CG1 3.81Å; L613-V620 HydrophobicContact CG-CG1 3.77Å; L613-L624 HydrophobicContact CB-CD2 4.15Å; L613-L624 HydrophobicContact CD2-CB 4.18Å; L613-L624 HydrophobicContact CD2-CD2 3.96Å; L613-F664 HydrophobicContact CD2-CE1 4.17Å; L613-A665 HydrophobicContact CD1-CB 4Å; L613-A665 HydrophobicContact CD2-CB 3.78Å; L613-V669 HydrophobicContact CD1-CG2 3.99Å
614	F	92.6	Very high	92.4	Very high	64 Å²	64	38.6 Å²	38.6	28%	0.281	21%	0.213	S	C	.	.	H	α-helix	trans	-75	-23.8	177.1	-82.2	-115.6	0	0	0	113.1	R610 C616 A621 L624 R625 L635	R610-F614 HydrophobicContact CG-CD2 3.45Å; R610-F614 VanDerWaalsContact CG-CD2 3.45Å; R610-F614 HydrophobicContact CG-CE2 3.61Å; R610-F614 HydrophobicContact CG-CG 4.11Å; R610-F614 HydrophobicContact CG-CZ 4.37Å; R610-F614 WeakPolarHBondContact O-CB 3.3Å; R610-F614 WeakPolarHBondContact O-CD2 3.46Å; R610-F614 PolarHBondContact O-N 3.01Å; F614-C616 VanDerWaalsContact C-N 3.35Å; F614-A621 HydrophobicContact CD1-CB 4.4Å; F614-A621 HydrophobicContact CD2-CB 4.17Å; F614-A621 HydrophobicContact CE2-CB 4.37Å; F614-A621 HydrophobicContact CG-CB 4.19Å; F614-L624 HydrophobicContact CD2-CD2 4.34Å; F614-L624 HydrophobicContact CE2-CD2 3.95Å; F614-R625 HydrophobicContact CZ-CG 4.23Å; F614-L635 HydrophobicContact CE2-CD1 4.38Å; F614-L635 HydrophobicContact CZ-CD1 4.41Å
615	S	92.3	Very high	92.4	Very high	61 Å²	61	39.9 Å²	39.9	43%	0.427	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	14.4	171.9	67.3	0	0	0	0	113.6	A611 Y612 K678	A611-S615 WeakPolarHBondContact O-CB 3.35Å; A611-S615 PolarHBondContact O-N 3.25Å; A611-S615 PolarHBondContact O-OG 2.8Å; Y612-S615 CarbonylContact O-C 3.59Å; Y612-S615 PolarHBondContact O-N 2.71Å; Y612-S615 PolarHBondContact O-OG 2.87Å; S615-K678 PolarHBondContact O-NZ 3.25Å; S615-K678 PolarHBondContact OG-NZ 2.66Å
616	C	93.4	Very high	92.5	Very high	28 Å²	28	45.2 Å²	45.2	19%	0.189	23%	0.234	C	C	.	.	S	Bend	trans	-105	-127.6	176.7	-166.7	0	0	0	0	110.9	Y612 L613 F614 H668 C672 C675	Y612-C616 WeakPolarHBondContact O-CB 3.48Å; Y612-C616 PolarHBondContact O-N 2.6Å; L613-C616 PolarHBondContact O-N 3.42Å; F614-C616 VanDerWaalsContact C-N 3.35Å; C616-H668 PolarHBondContact SG-NE2 3.08Å; C616-C672 VanDerWaalsContact SG-SG 3.65Å; C616-C675 VanDerWaalsContact SG-SG 3.63Å
617	R	92.3	Very high	92.5	Very high	159 Å²	159	50.6 Å²	50.6	60%	0.6	25%	0.254	S	S	*	.			trans	-97.4	134.2	-179	-61.4	179.2	-175.5	179.8	0.6	109	A619 V620 L674	R617-A619 VanDerWaalsContact C-N 3.25Å; R617-A619 PolarHBondContact O-N 3.4Å; R617-A619 VanDerWaalsContact O-N 3.09Å; R617-V620 HydrophobicContact CB-CG2 4.27Å; R617-V620 WeakPolarHBondContact O-CB 3.21Å; R617-V620 PolarHBondContact O-N 3.2Å; R617-L674 HydrophobicContact CG-CD1 4.31Å
618	A	91.4	Very high	92.6	Very high	79 Å²	79	49.1 Å²	49.1	65%	0.653	25%	0.248	S	C	*	.	H	α-helix	trans	-49.1	-42	-176	0	0	0	0	0	113.9	V620 A621 E622	A618-V620 PolarHBondContact O-N 2.96Å; A618-V620 VanDerWaalsContact O-N 3.14Å; A618-A621 PolarHBondContact O-N 3.47Å; A618-A621 VanDerWaalsContact O-N 3.12Å; A618-E622 WeakPolarHBondContact O-CG 3.47Å; A618-E622 PolarHBondContact O-N 2.99Å
619	A	93.4	Very high	92.6	Very high	67 Å²	67	55.4 Å²	55.4	55%	0.554	27%	0.273	S	S	*	.	H	α-helix	trans	-56.3	-30.3	177.6	0	0	0	0	0	114.3	R617 D623	R617-A619 VanDerWaalsContact C-N 3.25Å; R617-A619 PolarHBondContact O-N 3.4Å; R617-A619 VanDerWaalsContact O-N 3.09Å; A619-D623 PolarHBondContact O-N 3Å
620	V	93.4	Very high	92.4	Very high	21 Å²	21	59.7 Å²	59.7	13%	0.127	30%	0.3	C	S	.	.	H	α-helix	trans	-79	-38	179.1	-174.3	0	0	0	0	111.2	L613 R617 A618 E622 D623 L624	L613-V620 HydrophobicContact CB-CG1 4.34Å; L613-V620 HydrophobicContact CD2-CG1 3.81Å; L613-V620 HydrophobicContact CG-CG1 3.77Å; R617-V620 HydrophobicContact CB-CG2 4.27Å; R617-V620 WeakPolarHBondContact O-CB 3.21Å; R617-V620 PolarHBondContact O-N 3.2Å; A618-V620 PolarHBondContact O-N 2.96Å; A618-V620 VanDerWaalsContact O-N 3.14Å; V620-E622 VanDerWaalsContact C-N 3.32Å; V620-D623 PolarHBondContact O-N 3.45Å; V620-L624 PolarHBondContact O-N 2.86Å
621	A	92.3	Very high	92.3	Very high	7 Å²	7	59.1 Å²	59.1	6%	0.058	30%	0.298	C	S	.	.	H	α-helix	trans	-63.7	-40.2	171.6	0	0	0	0	0	111	F614 A618 L624 R625	F614-A621 HydrophobicContact CD1-CB 4.4Å; F614-A621 HydrophobicContact CD2-CB 4.17Å; F614-A621 HydrophobicContact CE2-CB 4.37Å; F614-A621 HydrophobicContact CG-CB 4.19Å; A618-A621 PolarHBondContact O-N 3.47Å; A618-A621 VanDerWaalsContact O-N 3.12Å; A621-L624 PolarHBondContact O-N 2.71Å; A621-R625 PolarHBondContact O-N 2.9Å
622	E	92.8	Very high	92.3	Very high	68 Å²	68	62 Å²	62	32%	0.318	31%	0.31	S	S	.	.	H	α-helix	trans	-65.1	-38.5	173.2	-69.5	-51.8	117.6	0	0	113.1	A618 V620 L624 R625 R626	A618-E622 WeakPolarHBondContact O-CG 3.47Å; A618-E622 PolarHBondContact O-N 2.99Å; V620-E622 VanDerWaalsContact C-N 3.32Å; E622-L624 VanDerWaalsContact C-N 3.32Å; E622-L624 PolarHBondContact O-N 2.9Å; E622-R625 PolarHBondContact O-N 3.39Å; E622-R625 VanDerWaalsContact OE1-CD 3.32Å; E622-R625 WeakPolarHBondContact OE1-CD 3.38Å; E622-R625 IonicContact OE1-CZ 3.79Å; E622-R625 IonicContact OE1-NE 2.68Å; E622-R625 IonicContact OE1-NH1 3.23Å; E622-R625 PolarHBondContact OE1-NH1 3.25Å; E622-R626 WeakPolarHBondContact O-CB 3.25Å; E622-R626 WeakPolarHBondContact O-CG 3.39Å; E622-R626 PolarHBondContact O-N 2.97Å
623	D	93.8	Very high	92.2	Very high	58 Å²	58	63.4 Å²	63.4	31%	0.31	32%	0.316	S	S	.	.	H	α-helix	trans	-66.2	-33.3	172.5	-88.7	1.6	0	0	0	112.8	A619 V620 R626 R627 F664	A619-D623 PolarHBondContact O-N 3Å; V620-D623 PolarHBondContact O-N 3.45Å; D623-R626 IonicContact OD1-CZ 2.89Å; D623-R626 IonicContact OD1-NE 3.6Å; D623-R626 PolarHBondContact OD1-NE 3.44Å; D623-R626 VanDerWaalsContact OD1-NE 3.15Å; D623-R626 IonicContact OD1-NH2 2.88Å; D623-R626 PolarHBondContact OD1-NH2 3.16Å; D623-R627 VanDerWaalsContact O-CD 3.29Å; D623-R627 WeakPolarHBondContact O-CD 3.32Å; D623-R627 WeakPolarHBondContact O-CG 3.42Å; D623-R627 PolarHBondContact O-N 3.03Å; D623-F664 HydrophobicContact CB-CE1 4.16Å; D623-F664 HydrophobicContact CB-CZ 3.66Å
624	L	93.5	Very high	92	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-68.4	-44.2	172.9	179.8	56.1	0	0	0	111.3	L606 L613 F614 V620 A621 E622 R627 I628 L635 V661	L606-L624 HydrophobicContact CD1-CD1 4.3Å; L613-L624 HydrophobicContact CB-CD2 4.15Å; L613-L624 HydrophobicContact CD2-CB 4.18Å; L613-L624 HydrophobicContact CD2-CD2 3.96Å; F614-L624 HydrophobicContact CD2-CD2 4.34Å; F614-L624 HydrophobicContact CE2-CD2 3.95Å; V620-L624 PolarHBondContact O-N 2.86Å; A621-L624 PolarHBondContact O-N 2.71Å; E622-L624 VanDerWaalsContact C-N 3.32Å; E622-L624 PolarHBondContact O-N 2.9Å; L624-R627 PolarHBondContact O-N 2.77Å; L624-I628 HydrophobicContact CD1-CD1 3.8Å; L624-I628 HydrophobicContact CG-CD1 4.41Å; L624-I628 PolarHBondContact O-N 2.84Å; L624-L635 HydrophobicContact CD1-CD2 4.33Å; L624-L635 HydrophobicContact CD2-CD2 4.17Å; L624-L635 HydrophobicContact CG-CD1 4.43Å; L624-L635 HydrophobicContact CG-CD2 4.26Å; L624-V661 HydrophobicContact CD1-CG1 3.43Å; L624-V661 VanDerWaalsContact CD1-CG1 3.43Å
625	R	92.6	Very high	91.7	Very high	82 Å²	82	60.4 Å²	60.4	31%	0.309	30%	0.303	S	S	.	.	H	α-helix	trans	-56.3	-54.3	172.3	-77	171.1	159.2	144.5	-2.5	111.5	F614 A621 E622 R627 I628 F629 E632	F614-R625 HydrophobicContact CZ-CG 4.23Å; A621-R625 PolarHBondContact O-N 2.9Å; E622-R625 PolarHBondContact O-N 3.39Å; E622-R625 VanDerWaalsContact OE1-CD 3.32Å; E622-R625 WeakPolarHBondContact OE1-CD 3.38Å; E622-R625 IonicContact OE1-CZ 3.79Å; E622-R625 IonicContact OE1-NE 2.68Å; E622-R625 IonicContact OE1-NH1 3.23Å; E622-R625 PolarHBondContact OE1-NH1 3.25Å; R625-R627 PolarHBondContact O-N 3.43Å; R625-R627 VanDerWaalsContact O-N 3.11Å; R625-I628 PolarHBondContact O-N 2.89Å; R625-F629 PolarHBondContact O-N 2.94Å; R625-E632 IonicContact NE-OE2 3.94Å
626	R	93.7	Very high	91.3	Very high	152 Å²	152	63.2 Å²	63.2	57%	0.574	31%	0.309	S	S	*	.	H	α-helix	trans	-55.7	-28.8	179	-78.3	-173.1	-78.4	-97.5	6.7	114.1	E622 D623	E622-R626 WeakPolarHBondContact O-CB 3.25Å; E622-R626 WeakPolarHBondContact O-CG 3.39Å; E622-R626 PolarHBondContact O-N 2.97Å; D623-R626 IonicContact OD1-CZ 2.89Å; D623-R626 IonicContact OD1-NE 3.6Å; D623-R626 PolarHBondContact OD1-NE 3.44Å; D623-R626 VanDerWaalsContact OD1-NE 3.15Å; D623-R626 IonicContact OD1-NH2 2.88Å; D623-R626 PolarHBondContact OD1-NH2 3.16Å
627	R	93.6	Very high	91.1	Very high	112 Å²	112	67 Å²	67	42%	0.423	32%	0.324	S	S	.	.	H	α-helix	trans	-80.8	-15	178.1	-73.3	168	-167.8	-72.8	-2.8	114.3	D623 L624 R625 F657 V661 F664	D623-R627 VanDerWaalsContact O-CD 3.29Å; D623-R627 WeakPolarHBondContact O-CD 3.32Å; D623-R627 WeakPolarHBondContact O-CG 3.42Å; D623-R627 PolarHBondContact O-N 3.03Å; L624-R627 PolarHBondContact O-N 2.77Å; R625-R627 PolarHBondContact O-N 3.43Å; R625-R627 VanDerWaalsContact O-N 3.11Å; R627-F657 WeakPolarHBondContact O-CZ 3.45Å; R627-V661 HydrophobicContact CB-CG1 4.23Å; R627-V661 HydrophobicContact CB-CG2 4.23Å; R627-F664 VanDerWaalsContact CD-CD1 3.49Å
628	I	92.4	Very high	91.1	Very high	2 Å²	2	59.8 Å²	59.8	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-115.9	-26.2	-174.4	-68.2	175.5	0	0	0	112	L606 L624 R625 R631 L634 L635 V661	L606-I628 HydrophobicContact CD2-CD1 3.99Å; L624-I628 HydrophobicContact CD1-CD1 3.8Å; L624-I628 HydrophobicContact CG-CD1 4.41Å; L624-I628 PolarHBondContact O-N 2.84Å; R625-I628 PolarHBondContact O-N 2.89Å; I628-R631 WeakPolarHBondContact CG2-O 3.41Å; I628-R631 PolarHBondContact O-N 3.28Å; I628-L634 HydrophobicContact CG2-CB 4.35Å; I628-L635 HydrophobicContact CD1-CD1 3.97Å; I628-L635 HydrophobicContact CD1-CD2 3.27Å; I628-L635 HydrophobicContact CD1-CG 3.48Å; I628-L635 VanDerWaalsContact CD1-CG 3.48Å; I628-L635 HydrophobicContact CG2-CG 4.48Å; I628-V661 HydrophobicContact CD1-CG1 3.94Å; I628-V661 HydrophobicContact CG1-CG1 3.98Å; I628-V661 HydrophobicContact CG1-CG2 4.35Å
629	F	89.3	Confident	91.3	Very high	153 Å²	153	57.5 Å²	57.5	67%	0.671	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.1	132.7	176.4	-177.7	-88	0	0	0	112.2	R625	R625-F629 PolarHBondContact O-N 2.94Å
630	P	89.6	Confident	91.5	Very high	89 Å²	89	55.5 Å²	55.5	58%	0.578	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	cis	-85.3	0.5	7.1	34.3	-36.6	0	0	0	115.3	E632	P630-E632 VanDerWaalsContact C-N 3.33Å; P630-E632 PolarHBondContact O-N 2.72Å; P630-E632 VanDerWaalsContact O-N 3.07Å
631	R	90.3	Very high	91.6	Very high	31 Å²	31	54.5 Å²	54.5	12%	0.117	25%	0.247	C	C	.	.			trans	-90.5	48.9	-164.5	-55.5	-170.3	-176.6	-172.6	0.6	114.1	E576 I628 Y633 L634 S644 D645 Q648	E576-R631 IonicContact OE1-CZ 2.71Å; E576-R631 IonicContact OE1-NH2 3.95Å; E576-R631 PolarHBondContact OE1-NH2 2.72Å; I628-R631 WeakPolarHBondContact CG2-O 3.41Å; I628-R631 PolarHBondContact O-N 3.28Å; R631-Y633 HydrophobicContact CB-CE1 3.96Å; R631-Y633 HydrophobicContact CB-CE2 4.32Å; R631-Y633 HydrophobicContact CG-CE1 4.24Å; R631-Y633 PolarHBondContact O-N 2.7Å; R631-Y633 VanDerWaalsContact O-N 3.08Å; R631-L634 HydrophobicContact CB-CD1 3.64Å; R631-L634 HydrophobicContact CB-CG 3.88Å; R631-L634 VanDerWaalsContact O-CB 3.29Å; R631-L634 WeakPolarHBondContact O-CB 3.41Å; R631-L634 WeakPolarHBondContact O-CG 3.39Å; R631-L634 PolarHBondContact O-N 2.69Å; R631-S644 PolarHBondContact NH2-OG 2.92Å; R631-D645 IonicContact CZ-OD1 3.1Å; R631-D645 IonicContact NE-OD1 3.77Å; R631-D645 IonicContact NH1-OD1 3.87Å; R631-D645 PolarHBondContact NH1-OD1 3.21Å; R631-Q648 VanDerWaalsContact NH2-NE2 3.18Å
632	E	88.9	Confident	91.9	Very high	67 Å²	67	54.2 Å²	54.2	31%	0.313	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-59.8	-23.9	-174	-69	-160.8	-151.6	0	0	114.1	R625 P630 L634 L635	R625-E632 IonicContact NE-OE2 3.94Å; P630-E632 VanDerWaalsContact C-N 3.33Å; P630-E632 PolarHBondContact O-N 2.72Å; P630-E632 VanDerWaalsContact O-N 3.07Å; E632-L634 PolarHBondContact O-N 3.06Å; E632-L634 VanDerWaalsContact O-N 3.14Å; E632-L635 WeakPolarHBondContact O-CB 3.02Å; E632-L635 PolarHBondContact O-N 2.69Å
633	Y	90.8	Very high	92	Very high	31 Å²	31	51.2 Å²	51.2	12%	0.122	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-56.3	-25.7	171.1	56.7	-98.7	0	0	0	113.7	P578 R603 R631 L635 Q636 Q637 S642 D645	P578-Y633 HydrophobicContact CB-CD1 3.85Å; P578-Y633 HydrophobicContact CB-CD2 3.86Å; P578-Y633 HydrophobicContact CB-CE1 3.81Å; P578-Y633 HydrophobicContact CB-CE2 3.86Å; P578-Y633 HydrophobicContact CB-CG 3.85Å; P578-Y633 HydrophobicContact CG-CD1 3.65Å; P578-Y633 HydrophobicContact CG-CE1 3.75Å; P578-Y633 HydrophobicContact CG-CG 4.05Å; R603-Y633 PolarHBondContact NH2-O 3.42Å; R631-Y633 HydrophobicContact CB-CE1 3.96Å; R631-Y633 HydrophobicContact CB-CE2 4.32Å; R631-Y633 HydrophobicContact CG-CE1 4.24Å; R631-Y633 PolarHBondContact O-N 2.7Å; R631-Y633 VanDerWaalsContact O-N 3.08Å; Y633-L635 PolarHBondContact O-N 3.06Å; Y633-Q636 PolarHBondContact O-N 3.01Å; Y633-Q636 VanDerWaalsContact O-N 3.1Å; Y633-Q637 PolarHBondContact O-N 2.76Å; Y633-S642 PolarHBondContact OH-OG 2.77Å; Y633-D645 WeakPolarHBondContact CE2-OD2 3.47Å; Y633-D645 PolarHBondContact OH-OD2 3.44Å; Y633-D645 VanDerWaalsContact OH-OD2 3.06Å
634	L	90.6	Very high	92.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-59.5	-28.8	175.5	-65.5	178.9	0	0	0	112.7	R603 I628 R631 E632 F657	R603-L634 PolarHBondContact NE-O 3.21Å; I628-L634 HydrophobicContact CG2-CB 4.35Å; R631-L634 HydrophobicContact CB-CD1 3.64Å; R631-L634 HydrophobicContact CB-CG 3.88Å; R631-L634 VanDerWaalsContact O-CB 3.29Å; R631-L634 WeakPolarHBondContact O-CB 3.41Å; R631-L634 WeakPolarHBondContact O-CG 3.39Å; R631-L634 PolarHBondContact O-N 2.69Å; E632-L634 PolarHBondContact O-N 3.06Å; E632-L634 VanDerWaalsContact O-N 3.14Å; L634-F657 HydrophobicContact CD1-CE1 4.38Å
635	L	85.8	Confident	92.4	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-79.7	-14.7	177.7	-72.8	176.9	0	0	0	114.7	L606 R610 F614 L624 I628 E632 Y633	L606-L635 HydrophobicContact CD1-CD2 4.12Å; L606-L635 HydrophobicContact CD2-CD2 3.95Å; L606-L635 HydrophobicContact CG-CD2 3.74Å; R610-L635 VanDerWaalsContact NH1-CB 3.27Å; F614-L635 HydrophobicContact CE2-CD1 4.38Å; F614-L635 HydrophobicContact CZ-CD1 4.41Å; L624-L635 HydrophobicContact CD1-CD2 4.33Å; L624-L635 HydrophobicContact CD2-CD2 4.17Å; L624-L635 HydrophobicContact CG-CD1 4.43Å; L624-L635 HydrophobicContact CG-CD2 4.26Å; I628-L635 HydrophobicContact CD1-CD1 3.97Å; I628-L635 HydrophobicContact CD1-CD2 3.27Å; I628-L635 HydrophobicContact CD1-CG 3.48Å; I628-L635 VanDerWaalsContact CD1-CG 3.48Å; I628-L635 HydrophobicContact CG2-CG 4.48Å; E632-L635 WeakPolarHBondContact O-CB 3.02Å; E632-L635 PolarHBondContact O-N 2.69Å; Y633-L635 PolarHBondContact O-N 3.06Å
636	Q	83.4	Confident	92.6	Very high	120 Å²	120	44.9 Å²	44.9	56%	0.561	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-133.4	-45.1	-156.8	-152.7	159.6	-23.6	0	0	113.2	R610 Y633	R610-Q636 VanDerWaalsContact CZ-OE1 3.25Å; Y633-Q636 PolarHBondContact O-N 3.01Å; Y633-Q636 VanDerWaalsContact O-N 3.1Å
637	Q	89.1	Confident	92.7	Very high	107 Å²	107	39 Å²	39	50%	0.5	18%	0.182	S	C	.	.			trans	-111.2	75.3	-179.6	-68.8	164	-53	0	0	109.4	R603 Y633 H639 L640	R603-Q637 PolarHBondContact NH2-O 2.89Å; Y633-Q637 PolarHBondContact O-N 2.76Å; Q637-H639 PolarHBondContact O-N 2.84Å; Q637-L640 HydrophobicContact CB-CB 3.8Å; Q637-L640 HydrophobicContact CB-CD2 4.18Å; Q637-L640 PolarHBondContact O-N 2.85Å
638	I	93.3	Very high	92.9	Very high	8 Å²	8	35.8 Å²	35.8	4%	0.041	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-21.7	-167.1	58.1	168.5	0	0	0	116	R603 Q604 K607	R603-I638 HydrophobicContact CB-CB 4.18Å; R603-I638 HydrophobicContact CB-CG2 4.04Å; R603-I638 VanDerWaalsContact CZ-O 3.25Å; R603-I638 PolarHBondContact NE-O 3.3Å; R603-I638 PolarHBondContact NH1-O 3.45Å; Q604-I638 HydrophobicContact CG-CD1 3.61Å; K607-I638 HydrophobicContact CB-CG2 4.05Å; K607-I638 HydrophobicContact CD-CG2 3.88Å; K607-I638 HydrophobicContact CG-CG2 4.34Å
639	H	95.3	Very high	93.2	Very high	31 Å²	31	35.9 Å²	35.9	14%	0.144	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-5.8	-179.8	-55.5	-52.7	0	0	0	114.7	D581 I582 Q583 Y590 Q637 Y641	D581-H639 WeakPolarHBondContact CA-O 3.35Å; D581-H639 VanDerWaalsContact OD1-CB 3.23Å; D581-H639 WeakPolarHBondContact OD1-CB 3.27Å; I582-H639 PolarHBondContact N-O 3.2Å; Q583-H639 HydrophobicContact CB-CB 3.62Å; Q583-H639 VanDerWaalsContact CB-CG 3.43Å; Y590-H639 AromaticContact CE2-ND1 3.97Å; Y590-H639 AromaticContact CZ-ND1 3.79Å; Y590-H639 PolarHBondContact OH-ND1 3.48Å; Y590-H639 VanDerWaalsContact OH-ND1 3.13Å; Q637-H639 PolarHBondContact O-N 2.84Å; H639-Y641 WeakPolarHBondContact O-CD2 3.47Å; H639-Y641 VanDerWaalsContact O-CE2 3.26Å; H639-Y641 WeakPolarHBondContact O-CE2 3.38Å
640	L	96.4	Very high	93.5	Very high	26 Å²	26	31.3 Å²	31.3	14%	0.136	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	130.8	-178.5	-168.7	71.1	0	0	0	110.7	P578 I580 D581 R603 Q637	P578-L640 HydrophobicContact CB-CD2 3.96Å; P578-L640 HydrophobicContact CB-CG 4.04Å; P578-L640 HydrophobicContact CG-CD2 4.48Å; P578-L640 WeakPolarHBondContact O-CD1 3.43Å; P578-L640 WeakPolarHBondContact O-CD2 3.46Å; P578-L640 WeakPolarHBondContact O-CG 3.36Å; I580-L640 CarbonylContact O-C 3.51Å; I580-L640 WeakPolarHBondContact O-CA 3.16Å; D581-L640 HydrophobicContact CB-CD1 4.11Å; R603-L640 VanDerWaalsContact CZ-O 3.28Å; R603-L640 PolarHBondContact NH1-O 3.46Å; R603-L640 PolarHBondContact NH2-O 3.48Å; Q637-L640 HydrophobicContact CB-CB 3.8Å; Q637-L640 HydrophobicContact CB-CD2 4.18Å; Q637-L640 PolarHBondContact O-N 2.85Å
641	Y	97.2	Very high	93.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	151.5	-175.5	-62.9	-100	0	0	0	111.8	L579 I580 I582 L596 V599 H639 D645 L646	L579-Y641 PolarHBondContact N-O 3.5Å; I580-Y641 PolarHBondContact N-O 2.89Å; I580-Y641 VanDerWaalsContact N-O 3.08Å; I580-Y641 PolarHBondContact O-N 3.36Å; I582-Y641 HydrophobicContact CD1-CD2 3.48Å; I582-Y641 VanDerWaalsContact CD1-CD2 3.48Å; I582-Y641 HydrophobicContact CD1-CE2 3.49Å; I582-Y641 VanDerWaalsContact CD1-CE2 3.49Å; I582-Y641 HydrophobicContact CD1-CG 4.19Å; I582-Y641 HydrophobicContact CG1-CD2 3.78Å; I582-Y641 HydrophobicContact CG1-CE2 4.02Å; L596-Y641 HydrophobicContact CD1-CE1 4.18Å; V599-Y641 HydrophobicContact CG1-CE1 3.87Å; H639-Y641 WeakPolarHBondContact O-CD2 3.47Å; H639-Y641 VanDerWaalsContact O-CE2 3.26Å; H639-Y641 WeakPolarHBondContact O-CE2 3.38Å; Y641-D645 HydrophobicContact CD1-CB 3.98Å; Y641-L646 HydrophobicContact CD1-CD2 3.87Å; Y641-L646 HydrophobicContact CD2-CD2 4.44Å; Y641-L646 HydrophobicContact CG-CD2 3.79Å
642	S	96.9	Very high	94.1	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.			trans	-91.1	165.9	162.9	67.4	0	0	0	0	111.9	E576 E577 Y633 S644 D645 L646	E576-S642 VanDerWaalsContact C-CB 3.41Å; E576-S642 VanDerWaalsContact O-CB 3.27Å; E576-S642 WeakPolarHBondContact O-CB 3.43Å; E577-S642 VanDerWaalsContact O-CA 3.27Å; E577-S642 WeakPolarHBondContact O-CA 3.41Å; E577-S642 VanDerWaalsContact O-CB 3.25Å; E577-S642 WeakPolarHBondContact O-CB 3.46Å; Y633-S642 PolarHBondContact OH-OG 2.77Å; S642-S644 PolarHBondContact O-N 3.29Å; S642-D645 WeakPolarHBondContact CB-OD2 3.48Å; S642-D645 PolarHBondContact N-OD2 2.84Å; S642-D645 WeakPolarHBondContact O-CB 3.13Å; S642-D645 PolarHBondContact O-N 3.23Å; S642-D645 VanDerWaalsContact O-N 3.11Å; S642-D645 PolarHBondContact OG-N 3.03Å; S642-D645 PolarHBondContact OG-OD2 3.08Å; S642-L646 WeakPolarHBondContact O-CG 3.4Å; S642-L646 PolarHBondContact O-N 2.91Å; S642-L646 VanDerWaalsContact O-N 3.07Å
643	L	96.7	Very high	94.5	Very high	6 Å²	6	34.4 Å²	34.4	3%	0.031	17%	0.173	C	C	.	.	H	α-helix	trans	-62.7	-34.1	171.7	-59.9	178.3	0	0	0	111.5	P549 L571 Y575 I580 D645 L646 Q647	P549-L643 HydrophobicContact CB-CD2 3.69Å; P549-L643 HydrophobicContact CG-CD1 3.85Å; P549-L643 HydrophobicContact CG-CD2 3.58Å; P549-L643 HydrophobicContact CG-CG 4.37Å; L571-L643 HydrophobicContact CD2-CD1 4.25Å; Y575-L643 HydrophobicContact CD2-CB 3.62Å; Y575-L643 HydrophobicContact CD2-CD1 4.38Å; Y575-L643 HydrophobicContact CE2-CB 3.85Å; Y575-L643 HydrophobicContact CG-CB 4.43Å; Y575-L643 WeakPolarHBondContact O-CB 3.47Å; Y575-L643 PolarHBondContact O-N 3.04Å; I580-L643 HydrophobicContact CD1-CD2 3.55Å; I580-L643 HydrophobicContact CD1-CG 4.48Å; L643-D645 VanDerWaalsContact C-N 3.3Å; L643-D645 PolarHBondContact O-N 3.26Å; L643-L646 PolarHBondContact O-N 3.01Å; L643-Q647 VanDerWaalsContact O-CB 3.32Å; L643-Q647 WeakPolarHBondContact O-CB 3.23Å; L643-Q647 PolarHBondContact O-N 3.48Å
644	S	97.1	Very high	94.8	Very high	6 Å²	6	33 Å²	33	4%	0.042	17%	0.168	C	C	.	.	H	α-helix	trans	-64.1	-30.7	173.7	-165	0	0	0	0	112.9	Y575 E576 R631 S642 Q648	Y575-S644 WeakPolarHBondContact O-CB 3.22Å; Y575-S644 PolarHBondContact O-N 3.27Å; E576-S644 VanDerWaalsContact OE1-CB 3.32Å; E576-S644 WeakPolarHBondContact OE1-CB 3.44Å; E576-S644 PolarHBondContact OE1-OG 2.94Å; R631-S644 PolarHBondContact NH2-OG 2.92Å; S642-S644 PolarHBondContact O-N 3.29Å; S644-Q648 VanDerWaalsContact O-CG 3.25Å; S644-Q648 WeakPolarHBondContact O-CG 3.44Å; S644-Q648 PolarHBondContact O-N 3.15Å; S644-Q648 PolarHBondContact O-NE2 3.04Å
645	D	97.1	Very high	95.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-73.7	-49.3	170.8	-61.6	-55.5	0	0	0	111.4	R631 Y633 Y641 S642 L643 Q647 Q648 V649 L654	R631-D645 IonicContact CZ-OD1 3.1Å; R631-D645 IonicContact NE-OD1 3.77Å; R631-D645 IonicContact NH1-OD1 3.87Å; R631-D645 PolarHBondContact NH1-OD1 3.21Å; Y633-D645 WeakPolarHBondContact CE2-OD2 3.47Å; Y633-D645 PolarHBondContact OH-OD2 3.44Å; Y633-D645 VanDerWaalsContact OH-OD2 3.06Å; Y641-D645 HydrophobicContact CD1-CB 3.98Å; S642-D645 WeakPolarHBondContact CB-OD2 3.48Å; S642-D645 PolarHBondContact N-OD2 2.84Å; S642-D645 WeakPolarHBondContact O-CB 3.13Å; S642-D645 PolarHBondContact O-N 3.23Å; S642-D645 VanDerWaalsContact O-N 3.11Å; S642-D645 PolarHBondContact OG-N 3.03Å; S642-D645 PolarHBondContact OG-OD2 3.08Å; L643-D645 VanDerWaalsContact C-N 3.3Å; L643-D645 PolarHBondContact O-N 3.26Å; D645-Q647 VanDerWaalsContact C-N 3.33Å; D645-Q647 PolarHBondContact O-N 3.47Å; D645-Q648 CarbonylContact O-C 3.58Å; D645-Q648 WeakPolarHBondContact O-CA 3.29Å; D645-Q648 WeakPolarHBondContact O-CB 3.48Å; D645-Q648 PolarHBondContact O-N 3.21Å; D645-V649 WeakPolarHBondContact O-CG2 3.44Å; D645-V649 PolarHBondContact O-N 3.02Å; D645-L654 HydrophobicContact CB-CD2 3.95Å
646	L	96.8	Very high	95.7	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-63	-39.4	-177.7	-58.9	179.1	0	0	0	111.7	L552 I580 I582 L596 Y641 S642 L643 Q648 V649 I650	L552-L646 HydrophobicContact CD2-CB 3.73Å; L552-L646 HydrophobicContact CD2-CD1 3.85Å; L552-L646 HydrophobicContact CD2-CG 4.42Å; I580-L646 HydrophobicContact CD1-CD1 4.09Å; I582-L646 HydrophobicContact CD1-CD2 3.87Å; L596-L646 HydrophobicContact CD1-CD2 4.32Å; Y641-L646 HydrophobicContact CD1-CD2 3.87Å; Y641-L646 HydrophobicContact CD2-CD2 4.44Å; Y641-L646 HydrophobicContact CG-CD2 3.79Å; S642-L646 WeakPolarHBondContact O-CG 3.4Å; S642-L646 PolarHBondContact O-N 2.91Å; S642-L646 VanDerWaalsContact O-N 3.07Å; L643-L646 PolarHBondContact O-N 3.01Å; L646-Q648 VanDerWaalsContact C-N 3.26Å; L646-Q648 PolarHBondContact O-N 3.1Å; L646-V649 WeakPolarHBondContact O-CB 3.02Å; L646-V649 PolarHBondContact O-N 3.14Å; L646-V649 VanDerWaalsContact O-N 3.09Å; L646-I650 WeakPolarHBondContact O-CG1 3.33Å; L646-I650 PolarHBondContact O-N 2.79Å
647	Q	97.1	Very high	96.3	Very high	27 Å²	27	35.3 Å²	35.3	13%	0.126	19%	0.188	C	C	.	.	H	α-helix	trans	-58.6	-38.2	169.3	-175.6	66.1	24.6	0	0	111.7	Y575 L643 D645 I650 E651	Y575-Q647 WeakPolarHBondContact OH-CB 3.32Å; Y575-Q647 WeakPolarHBondContact OH-CG 3.31Å; L643-Q647 VanDerWaalsContact O-CB 3.32Å; L643-Q647 WeakPolarHBondContact O-CB 3.23Å; L643-Q647 PolarHBondContact O-N 3.48Å; D645-Q647 VanDerWaalsContact C-N 3.33Å; D645-Q647 PolarHBondContact O-N 3.47Å; Q647-I650 PolarHBondContact O-N 3.13Å; Q647-E651 WeakPolarHBondContact CG-OE1 3.34Å; Q647-E651 PolarHBondContact NE2-OE1 3.24Å; Q647-E651 WeakPolarHBondContact O-CB 3.36Å; Q647-E651 VanDerWaalsContact O-CG 3.28Å; Q647-E651 WeakPolarHBondContact O-CG 3.36Å; Q647-E651 PolarHBondContact O-N 3.17Å
648	Q	97.2	Very high	96.7	Very high	46 Å²	46	30.2 Å²	30.2	22%	0.215	17%	0.165	C	C	.	.	H	α-helix	trans	-76.7	-16.8	175.3	-72.7	176.6	63.2	0	0	114.5	R631 S644 D645 L646 G652 K653 L654	R631-Q648 VanDerWaalsContact NH2-NE2 3.18Å; S644-Q648 VanDerWaalsContact O-CG 3.25Å; S644-Q648 WeakPolarHBondContact O-CG 3.44Å; S644-Q648 PolarHBondContact O-N 3.15Å; S644-Q648 PolarHBondContact O-NE2 3.04Å; D645-Q648 CarbonylContact O-C 3.58Å; D645-Q648 WeakPolarHBondContact O-CA 3.29Å; D645-Q648 WeakPolarHBondContact O-CB 3.48Å; D645-Q648 PolarHBondContact O-N 3.21Å; L646-Q648 VanDerWaalsContact C-N 3.26Å; L646-Q648 PolarHBondContact O-N 3.1Å; Q648-G652 PolarHBondContact O-N 2.9Å; Q648-K653 HydrophobicContact CB-CB 4.19Å; Q648-K653 HydrophobicContact CG-CB 4.28Å; Q648-K653 PolarHBondContact O-N 2.73Å; Q648-L654 HydrophobicContact CB-CB 3.96Å; Q648-L654 PolarHBondContact O-N 2.81Å
649	V	97.4	Very high	96.8	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.024	17%	0.172	C	C	.	.	H	α-helix	trans	-71.5	-49.2	164.3	-177.8	0	0	0	0	109.6	W556 P595 L596 V599 D645 L646 E651 G652 L654	W556-V649 HydrophobicContact CH2-CB 4.19Å; W556-V649 HydrophobicContact CH2-CG1 3.92Å; W556-V649 HydrophobicContact CZ2-CB 4.38Å; W556-V649 HydrophobicContact CZ2-CG1 3.91Å; P595-V649 HydrophobicContact CB-CG1 3.84Å; L596-V649 HydrophobicContact CB-CG1 4.2Å; L596-V649 HydrophobicContact CD1-CG1 4.34Å; L596-V649 HydrophobicContact CD1-CG2 4.21Å; V599-V649 HydrophobicContact CG1-CG2 4.48Å; V599-V649 HydrophobicContact CG2-CG2 4.26Å; D645-V649 WeakPolarHBondContact O-CG2 3.44Å; D645-V649 PolarHBondContact O-N 3.02Å; L646-V649 WeakPolarHBondContact O-CB 3.02Å; L646-V649 PolarHBondContact O-N 3.14Å; L646-V649 VanDerWaalsContact O-N 3.09Å; V649-E651 VanDerWaalsContact C-N 3.31Å; V649-E651 PolarHBondContact O-N 2.93Å; V649-G652 PolarHBondContact O-N 3.09Å; V649-L654 HydrophobicContact CG2-CD2 3.89Å
650	I	96.7	Very high	96.8	Very high	57 Å²	57	36.8 Å²	36.8	29%	0.292	20%	0.198	S	C	.	.	H	α-helix	trans	-58.6	-42.4	177.2	-61.2	163.4	0	0	0	111.1	L547 L552 W556 T558 L646 Q647 G652	L547-I650 HydrophobicContact CD2-CD1 4Å; L552-I650 HydrophobicContact CD1-CD1 3.82Å; L552-I650 HydrophobicContact CD2-CD1 4.36Å; W556-I650 HydrophobicContact CH2-CG1 4.44Å; W556-I650 HydrophobicContact CZ2-CG1 3.81Å; T558-I650 HydrophobicContact CG2-CD1 3.68Å; T558-I650 HydrophobicContact CG2-CG1 3.76Å; T558-I650 HydrophobicContact CG2-CG2 3.95Å; L646-I650 WeakPolarHBondContact O-CG1 3.33Å; L646-I650 PolarHBondContact O-N 2.79Å; Q647-I650 PolarHBondContact O-N 3.13Å; I650-G652 VanDerWaalsContact C-N 3.25Å; I650-G652 PolarHBondContact O-N 2.74Å
651	E	97	Very high	96.8	Very high	89 Å²	89	35.8 Å²	35.8	42%	0.416	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	0.5	178	-67.8	175.6	-174.8	0	0	114	Q647 V649 K653	Q647-E651 WeakPolarHBondContact CG-OE1 3.34Å; Q647-E651 PolarHBondContact NE2-OE1 3.24Å; Q647-E651 WeakPolarHBondContact O-CB 3.36Å; Q647-E651 VanDerWaalsContact O-CG 3.28Å; Q647-E651 WeakPolarHBondContact O-CG 3.36Å; Q647-E651 PolarHBondContact O-N 3.17Å; V649-E651 VanDerWaalsContact C-N 3.31Å; V649-E651 PolarHBondContact O-N 2.93Å; E651-K653 HydrophobicContact CB-CD 4.02Å; E651-K653 HydrophobicContact CB-CG 4.12Å; E651-K653 PolarHBondContact O-N 3.43Å; E651-K653 WeakPolarHBondContact OE2-CD 3.44Å; E651-K653 VanDerWaalsContact OE2-CE 3.23Å; E651-K653 WeakPolarHBondContact OE2-CE 3.38Å; E651-K653 IonicContact OE2-NZ 2.78Å; E651-K653 PolarHBondContact OE2-NZ 3.1Å
652	G	96.4	Very high	96.7	Very high	46 Å²	46	36.3 Å²	36.3	47%	0.474	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	16.7	179.2	0	0	0	0	0	115.2	Q648 V649 I650 P656	Q648-G652 PolarHBondContact O-N 2.9Å; V649-G652 PolarHBondContact O-N 3.09Å; I650-G652 VanDerWaalsContact C-N 3.25Å; I650-G652 PolarHBondContact O-N 2.74Å; G652-P656 WeakPolarHBondContact O-CD 3.49Å; G652-P656 VanDerWaalsContact O-CG 3.3Å; G652-P656 WeakPolarHBondContact O-CG 3.35Å
653	K	97.3	Very high	96.7	Very high	116 Å²	116	43.7 Å²	43.7	50%	0.504	23%	0.227	S	C	.	.			trans	-89.3	-33.6	-174.5	-68.4	173.8	-176	169.4	0	113.6	Q648 E651 P656 F657	Q648-K653 HydrophobicContact CB-CB 4.19Å; Q648-K653 HydrophobicContact CG-CB 4.28Å; Q648-K653 PolarHBondContact O-N 2.73Å; E651-K653 HydrophobicContact CB-CD 4.02Å; E651-K653 HydrophobicContact CB-CG 4.12Å; E651-K653 PolarHBondContact O-N 3.43Å; E651-K653 WeakPolarHBondContact OE2-CD 3.44Å; E651-K653 VanDerWaalsContact OE2-CE 3.23Å; E651-K653 WeakPolarHBondContact OE2-CE 3.38Å; E651-K653 IonicContact OE2-NZ 2.78Å; E651-K653 PolarHBondContact OE2-NZ 3.1Å; K653-P656 WeakPolarHBondContact O-CD 3.43Å; K653-F657 PolarHBondContact O-N 3.45Å
654	L	96.6	Very high	96.7	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-69.2	-41.3	-172	-173.9	55.1	0	0	0	112.7	V599 D645 Q648 V649 F657 L658	V599-L654 HydrophobicContact CG1-CD2 3.84Å; V599-L654 HydrophobicContact CG1-CG 4.25Å; V599-L654 HydrophobicContact CG2-CB 4.35Å; V599-L654 HydrophobicContact CG2-CD2 4.47Å; V599-L654 HydrophobicContact CG2-CG 4.31Å; D645-L654 HydrophobicContact CB-CD2 3.95Å; Q648-L654 HydrophobicContact CB-CB 3.96Å; Q648-L654 PolarHBondContact O-N 2.81Å; V649-L654 HydrophobicContact CG2-CD2 3.89Å; L654-F657 HydrophobicContact CD1-CD1 4.13Å; L654-F657 WeakPolarHBondContact O-CB 3.18Å; L654-F657 PolarHBondContact O-N 3.38Å; L654-L658 HydrophobicContact CD1-CD1 4.39Å; L654-L658 HydrophobicContact CD1-CG 4.27Å; L654-L658 HydrophobicContact CG-CD1 4.15Å; L654-L658 HydrophobicContact CG-CG 4.48Å; L654-L658 WeakPolarHBondContact O-CG 3.19Å; L654-L658 PolarHBondContact O-N 3.08Å
655	A	96.6	Very high	96.6	Very high	24 Å²	24	45.3 Å²	45.3	20%	0.198	23%	0.233	C	C	.	.	H	α-helix	trans	-64.1	-46.8	177.7	0	0	0	0	0	113.1	T598 V599 L602 F657 L658 G659	T598-A655 HydrophobicContact CG2-CB 3.92Å; V599-A655 HydrophobicContact CG2-CB 3.92Å; L602-A655 HydrophobicContact CD1-CB 3.65Å; A655-F657 VanDerWaalsContact C-N 3.28Å; A655-F657 PolarHBondContact O-N 3.31Å; A655-L658 PolarHBondContact O-N 2.91Å; A655-G659 PolarHBondContact O-N 2.96Å
656	P	97.7	Very high	96.5	Very high	74 Å²	74	46.3 Å²	46.3	48%	0.481	24%	0.24	S	C	.	.	H	α-helix	trans	-60.4	-29.8	170.5	-28.1	36.1	0	0	0	115.1	G652 K653 K660	G652-P656 WeakPolarHBondContact O-CD 3.49Å; G652-P656 VanDerWaalsContact O-CG 3.3Å; G652-P656 WeakPolarHBondContact O-CG 3.35Å; K653-P656 WeakPolarHBondContact O-CD 3.43Å; P656-K660 WeakPolarHBondContact O-CG 3.33Å; P656-K660 PolarHBondContact O-N 3.36Å
657	F	96.7	Very high	96.5	Very high	73 Å²	73	49.8 Å²	49.8	32%	0.32	26%	0.264	S	S	.	.	H	α-helix	trans	-68.3	-56.2	172.6	169.2	-101.7	0	0	0	111	R627 L634 K653 L654 A655 G659 K660 V661	R627-F657 WeakPolarHBondContact O-CZ 3.45Å; L634-F657 HydrophobicContact CD1-CE1 4.38Å; K653-F657 PolarHBondContact O-N 3.45Å; L654-F657 HydrophobicContact CD1-CD1 4.13Å; L654-F657 WeakPolarHBondContact O-CB 3.18Å; L654-F657 PolarHBondContact O-N 3.38Å; A655-F657 VanDerWaalsContact C-N 3.28Å; A655-F657 PolarHBondContact O-N 3.31Å; F657-G659 VanDerWaalsContact C-N 3.28Å; F657-G659 PolarHBondContact O-N 3.23Å; F657-K660 WeakPolarHBondContact O-CB 3.5Å; F657-K660 PolarHBondContact O-N 2.98Å; F657-V661 HydrophobicContact CE2-CG2 4.5Å; F657-V661 HydrophobicContact CZ-CG2 4.37Å; F657-V661 PolarHBondContact O-N 3.24Å
658	L	96.3	Very high	96.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-55.8	-43.7	177.6	-67.9	172.1	0	0	0	111.3	V599 L602 R603 L606 L654 A655 K660 V661 I662	V599-L658 HydrophobicContact CG1-CD1 4.03Å; L602-L658 HydrophobicContact CB-CB 4.2Å; L602-L658 HydrophobicContact CB-CD1 4.09Å; L602-L658 HydrophobicContact CD1-CB 4.39Å; R603-L658 HydrophobicContact CG-CD1 3.91Å; L606-L658 HydrophobicContact CD2-CD2 3.89Å; L654-L658 HydrophobicContact CD1-CD1 4.39Å; L654-L658 HydrophobicContact CD1-CG 4.27Å; L654-L658 HydrophobicContact CG-CD1 4.15Å; L654-L658 HydrophobicContact CG-CG 4.48Å; L654-L658 WeakPolarHBondContact O-CG 3.19Å; L654-L658 PolarHBondContact O-N 3.08Å; A655-L658 PolarHBondContact O-N 2.91Å; L658-K660 VanDerWaalsContact C-N 3.26Å; L658-K660 PolarHBondContact O-N 3.19Å; L658-V661 PolarHBondContact O-N 3.18Å; L658-I662 HydrophobicContact CB-CD1 4.32Å; L658-I662 WeakPolarHBondContact O-CB 3.28Å; L658-I662 WeakPolarHBondContact O-CD1 3.11Å; L658-I662 WeakPolarHBondContact O-CG1 3.45Å; L658-I662 PolarHBondContact O-N 3.34Å
659	G	96	Very high	96.3	Very high	19 Å²	19	47.6 Å²	47.6	20%	0.196	25%	0.254	C	S	.	.	H	α-helix	trans	-60.2	-27.8	177.3	0	0	0	0	0	114.8	A655 F657 K663	A655-G659 PolarHBondContact O-N 2.96Å; F657-G659 VanDerWaalsContact C-N 3.28Å; F657-G659 PolarHBondContact O-N 3.23Å; G659-K663 WeakPolarHBondContact O-CB 3.43Å; G659-K663 WeakPolarHBondContact O-CD 3.45Å; G659-K663 WeakPolarHBondContact O-CG 3.44Å; G659-K663 PolarHBondContact O-N 2.59Å
660	K	96.5	Very high	96.2	Very high	157 Å²	157	53.3 Å²	53.3	68%	0.683	28%	0.276	S	S	*	.	H	α-helix	trans	-72.7	-39.7	171.7	-72.5	168.4	-176.6	177.8	0	111.7	P656 F657 L658 F664	P656-K660 WeakPolarHBondContact O-CG 3.33Å; P656-K660 PolarHBondContact O-N 3.36Å; F657-K660 WeakPolarHBondContact O-CB 3.5Å; F657-K660 PolarHBondContact O-N 2.98Å; L658-K660 VanDerWaalsContact C-N 3.26Å; L658-K660 PolarHBondContact O-N 3.19Å; K660-F664 PolarHBondContact O-N 2.89Å
661	V	96.1	Very high	96.1	Very high	6 Å²	6	55 Å²	55	4%	0.036	29%	0.293	C	S	.	.	H	α-helix	trans	-72.3	-41.3	179.9	-172.3	0	0	0	0	111.2	L606 L624 R627 I628 F657 L658 K663 F664 A665	L606-V661 HydrophobicContact CD1-CG1 4.24Å; L624-V661 HydrophobicContact CD1-CG1 3.43Å; L624-V661 VanDerWaalsContact CD1-CG1 3.43Å; R627-V661 HydrophobicContact CB-CG1 4.23Å; R627-V661 HydrophobicContact CB-CG2 4.23Å; I628-V661 HydrophobicContact CD1-CG1 3.94Å; I628-V661 HydrophobicContact CG1-CG1 3.98Å; I628-V661 HydrophobicContact CG1-CG2 4.35Å; F657-V661 HydrophobicContact CE2-CG2 4.5Å; F657-V661 HydrophobicContact CZ-CG2 4.37Å; F657-V661 PolarHBondContact O-N 3.24Å; L658-V661 PolarHBondContact O-N 3.18Å; V661-K663 PolarHBondContact O-N 2.72Å; V661-F664 WeakPolarHBondContact O-CB 3.35Å; V661-F664 PolarHBondContact O-N 2.8Å; V661-A665 PolarHBondContact O-N 3.18Å
662	I	95.5	Very high	96	Very high	10 Å²	10	51.4 Å²	51.4	5%	0.051	28%	0.277	C	S	.	.	H	α-helix	trans	-58.6	-46.9	173.3	-70.7	161.4	0	0	0	110.5	L602 Q605 L606 L609 L658 F664 A665 T666	L602-I662 HydrophobicContact CB-CD1 3.84Å; L602-I662 HydrophobicContact CD2-CD1 3.56Å; L602-I662 HydrophobicContact CG-CD1 4.28Å; L602-I662 WeakPolarHBondContact O-CD1 3.4Å; Q605-I662 HydrophobicContact CG-CG2 4.38Å; L606-I662 HydrophobicContact CB-CD1 4.42Å; L606-I662 HydrophobicContact CB-CG1 4.1Å; L606-I662 HydrophobicContact CD1-CG1 4.07Å; L609-I662 HydrophobicContact CD1-CB 4.44Å; L609-I662 HydrophobicContact CD1-CG1 4.43Å; L609-I662 HydrophobicContact CD1-CG2 3.92Å; L658-I662 HydrophobicContact CB-CD1 4.32Å; L658-I662 WeakPolarHBondContact O-CB 3.28Å; L658-I662 WeakPolarHBondContact O-CD1 3.11Å; L658-I662 WeakPolarHBondContact O-CG1 3.45Å; L658-I662 PolarHBondContact O-N 3.34Å; I662-F664 VanDerWaalsContact C-N 3.27Å; I662-F664 PolarHBondContact O-N 2.88Å; I662-A665 PolarHBondContact O-N 2.75Å; I662-T666 HydrophobicContact CG2-CG2 4.14Å; I662-T666 PolarHBondContact O-N 2.89Å; I662-T666 PolarHBondContact O-OG1 3.32Å
663	K	96.4	Very high	95.8	Very high	155 Å²	155	52.5 Å²	52.5	67%	0.674	28%	0.278	S	S	*	.	H	α-helix	trans	-60.1	-32.9	176.3	-78.4	174.9	-178.8	-174.9	0	113.8	G659 V661 T666 S667	G659-K663 WeakPolarHBondContact O-CB 3.43Å; G659-K663 WeakPolarHBondContact O-CD 3.45Å; G659-K663 WeakPolarHBondContact O-CG 3.44Å; G659-K663 PolarHBondContact O-N 2.59Å; V661-K663 PolarHBondContact O-N 2.72Å; K663-T666 PolarHBondContact O-OG1 2.9Å; K663-S667 WeakPolarHBondContact O-CB 3.08Å; K663-S667 PolarHBondContact O-N 3.38Å
664	F	95.9	Very high	95.6	Very high	46 Å²	46	50.6 Å²	50.6	20%	0.202	27%	0.273	C	S	.	.	H	α-helix	trans	-67.6	-45.8	171.1	163.5	-101.5	0	0	0	111.3	L613 D623 R627 K660 V661 I662 H668	L613-F664 HydrophobicContact CD2-CE1 4.17Å; D623-F664 HydrophobicContact CB-CE1 4.16Å; D623-F664 HydrophobicContact CB-CZ 3.66Å; R627-F664 VanDerWaalsContact CD-CD1 3.49Å; K660-F664 PolarHBondContact O-N 2.89Å; V661-F664 WeakPolarHBondContact O-CB 3.35Å; V661-F664 PolarHBondContact O-N 2.8Å; I662-F664 VanDerWaalsContact C-N 3.27Å; I662-F664 PolarHBondContact O-N 2.88Å; F664-H668 PolarHBondContact O-N 2.93Å
665	A	95.4	Very high	95.5	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-69.2	-44.5	-177.9	0	0	0	0	0	113.3	L609 L613 V661 I662 H668 V669	L609-A665 HydrophobicContact CB-CB 4.03Å; L609-A665 HydrophobicContact CD1-CB 4.11Å; L609-A665 HydrophobicContact CD2-CB 4.08Å; L609-A665 HydrophobicContact CG-CB 4.31Å; L613-A665 HydrophobicContact CD1-CB 4Å; L613-A665 HydrophobicContact CD2-CB 3.78Å; V661-A665 PolarHBondContact O-N 3.18Å; I662-A665 PolarHBondContact O-N 2.75Å; A665-H668 WeakPolarHBondContact O-CB 3.4Å; A665-H668 PolarHBondContact O-N 3Å; A665-H668 VanDerWaalsContact O-N 3.17Å; A665-V669 PolarHBondContact O-N 3.44Å
666	T	95.6	Very high	95.3	Very high	22 Å²	22	51 Å²	51	14%	0.135	27%	0.274	C	S	.	.	H	α-helix	trans	-63.7	-43.6	175.8	55.8	0	0	0	0	111.1	L609 I662 K663 H668 V669 Y670 F694	L609-T666 HydrophobicContact CD1-CG2 3.72Å; L609-T666 HydrophobicContact CD2-CG2 3.85Å; L609-T666 HydrophobicContact CG-CG2 4.41Å; I662-T666 HydrophobicContact CG2-CG2 4.14Å; I662-T666 PolarHBondContact O-N 2.89Å; I662-T666 PolarHBondContact O-OG1 3.32Å; K663-T666 PolarHBondContact O-OG1 2.9Å; T666-H668 PolarHBondContact O-N 3.24Å; T666-V669 PolarHBondContact O-N 2.76Å; T666-Y670 WeakPolarHBondContact O-CD2 3.3Å; T666-Y670 PolarHBondContact O-N 3.25Å; T666-F694 HydrophobicContact CG2-CD2 3.94Å; T666-F694 HydrophobicContact CG2-CE2 3.89Å
667	S	96.1	Very high	95	Very high	73 Å²	73	54.3 Å²	54.3	51%	0.51	28%	0.283	S	S	.	.	H	α-helix	trans	-59	-33.2	174	-174.1	0	0	0	0	112.5	K663 S671	K663-S667 WeakPolarHBondContact O-CB 3.08Å; K663-S667 PolarHBondContact O-N 3.38Å; S667-S671 WeakPolarHBondContact O-CB 3.28Å; S667-S671 PolarHBondContact O-N 3.47Å; S667-S671 PolarHBondContact O-OG 3.41Å
668	H	95.6	Very high	94.7	Very high	28 Å²	28	53 Å²	53	13%	0.13	28%	0.277	C	S	.	.	H	α-helix	trans	-69.5	-45	171.7	-179.8	72.2	0	0	0	112	C616 F664 A665 T666 Y670 S671 C672	C616-H668 PolarHBondContact SG-NE2 3.08Å; F664-H668 PolarHBondContact O-N 2.93Å; A665-H668 WeakPolarHBondContact O-CB 3.4Å; A665-H668 PolarHBondContact O-N 3Å; A665-H668 VanDerWaalsContact O-N 3.17Å; T666-H668 PolarHBondContact O-N 3.24Å; H668-Y670 PolarHBondContact O-N 2.79Å; H668-S671 PolarHBondContact O-N 3.44Å; H668-S671 PolarHBondContact O-OG 2.84Å; H668-C672 VanDerWaalsContact CE1-CB 3.43Å; H668-C672 WeakPolarHBondContact CE1-CB 3.3Å; H668-C672 WeakPolarHBondContact O-CB 3.47Å; H668-C672 PolarHBondContact O-N 3.5Å
669	V	95.6	Very high	94.3	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-59.5	-47.7	-179	174	0	0	0	0	111.7	L609 Y612 L613 A665 T666 S671 C675 S676 Y692 F694	L609-V669 HydrophobicContact CD2-CG2 3.98Å; Y612-V669 HydrophobicContact CD1-CG1 4.16Å; Y612-V669 HydrophobicContact CD1-CG2 4.24Å; Y612-V669 HydrophobicContact CE1-CG1 4.5Å; Y612-V669 HydrophobicContact CG-CG2 3.95Å; L613-V669 HydrophobicContact CD1-CG2 3.99Å; A665-V669 PolarHBondContact O-N 3.44Å; T666-V669 PolarHBondContact O-N 2.76Å; V669-S671 VanDerWaalsContact C-N 3.32Å; V669-S671 PolarHBondContact O-N 2.89Å; V669-C675 HydrophobicContact CB-CB 4.22Å; V669-C675 HydrophobicContact CG1-CB 4.09Å; V669-C675 HydrophobicContact CG2-CB 4.22Å; V669-S676 PolarHBondContact O-N 2.96Å; V669-Y692 HydrophobicContact CG1-CD1 3.77Å; V669-Y692 HydrophobicContact CG1-CE1 3.48Å; V669-Y692 VanDerWaalsContact CG1-CE1 3.48Å; V669-F694 HydrophobicContact CB-CE1 4.2Å; V669-F694 HydrophobicContact CB-CZ 4.02Å; V669-F694 HydrophobicContact CG1-CE1 3.89Å; V669-F694 HydrophobicContact CG1-CZ 3.77Å; V669-F694 HydrophobicContact CG2-CE1 4.03Å; V669-F694 HydrophobicContact CG2-CZ 4.31Å
670	Y	94.4	Very high	94.1	Very high	123 Å²	123	54.3 Å²	54.3	48%	0.482	28%	0.284	S	S	.	.	H	α-helix	trans	-69.5	-25.9	-179.6	-55.2	-49	0	0	0	114.1	T666 H668 Y692 F694 E695	T666-Y670 WeakPolarHBondContact O-CD2 3.3Å; T666-Y670 PolarHBondContact O-N 3.25Å; H668-Y670 PolarHBondContact O-N 2.79Å; Y670-Y692 HydrophobicContact CD1-CE2 4.04Å; Y670-Y692 AromaticContact CE1-CD2 3.93Å; Y670-Y692 HydrophobicContact CE1-CD2 3.93Å; Y670-Y692 AromaticContact CE1-CE2 3.83Å; Y670-Y692 HydrophobicContact CE1-CE2 3.83Å; Y670-F694 HydrophobicContact CE1-CE2 4.23Å; Y670-F694 HydrophobicContact CE1-CZ 4.29Å; Y670-E695 PolarHBondContact OH-OE1 3Å; Y670-E695 VanDerWaalsContact OH-OE1 3.09Å
671	S	93.9	Very high	93.8	Very high	93 Å²	93	51 Å²	51	65%	0.65	27%	0.272	S	S	*	.	H	α-helix	trans	-99.3	-13.9	-176.8	63.3	0	0	0	0	114.6	S667 H668 V669	S667-S671 WeakPolarHBondContact O-CB 3.28Å; S667-S671 PolarHBondContact O-N 3.47Å; S667-S671 PolarHBondContact O-OG 3.41Å; H668-S671 PolarHBondContact O-N 3.44Å; H668-S671 PolarHBondContact O-OG 2.84Å; V669-S671 VanDerWaalsContact C-N 3.32Å; V669-S671 PolarHBondContact O-N 2.89Å
672	C	95.6	Very high	93.7	Very high	14 Å²	14	50.7 Å²	50.7	10%	0.095	27%	0.271	C	S	.	.			trans	-101.5	118	-179.7	-169	0	0	0	0	111.5	C616 H668 L674 C675 S676	C616-C672 VanDerWaalsContact SG-SG 3.65Å; H668-C672 VanDerWaalsContact CE1-CB 3.43Å; H668-C672 WeakPolarHBondContact CE1-CB 3.3Å; H668-C672 WeakPolarHBondContact O-CB 3.47Å; H668-C672 PolarHBondContact O-N 3.5Å; C672-L674 PolarHBondContact O-N 2.97Å; C672-L674 VanDerWaalsContact O-N 3.12Å; C672-C675 HydrophobicContact CB-CB 4.22Å; C672-C675 PolarHBondContact O-N 3.48Å; C672-S676 PolarHBondContact O-N 3.36Å; C672-S676 PolarHBondContact O-OG 3.43Å
673	S	92.9	Very high	93.4	Very high	69 Å²	69	53.4 Å²	53.4	48%	0.483	28%	0.283	S	S	.	.	H	α-helix	trans	-53.1	-33.8	178.2	50.7	0	0	0	0	114.2	C675 S676 Q677	S673-C675 VanDerWaalsContact C-N 3.29Å; S673-C675 PolarHBondContact O-N 3.31Å; S673-S676 PolarHBondContact O-OG 3.12Å; S673-Q677 WeakPolarHBondContact O-CB 3.33Å; S673-Q677 VanDerWaalsContact O-CD 3.3Å; S673-Q677 WeakPolarHBondContact O-CG 3.07Å; S673-Q677 PolarHBondContact O-N 3.5Å; S673-Q677 PolarHBondContact O-OE1 2.82Å
674	L	93.2	Very high	93	Very high	76 Å²	76	48.9 Å²	48.9	40%	0.398	27%	0.266	S	S	.	.	H	α-helix	trans	-74.4	-15.9	177.8	-59.3	177.2	0	0	0	114	R617 C672 K678	R617-L674 HydrophobicContact CG-CD1 4.31Å; C672-L674 PolarHBondContact O-N 2.97Å; C672-L674 VanDerWaalsContact O-N 3.12Å; L674-K678 WeakPolarHBondContact O-CD 3.46Å; L674-K678 WeakPolarHBondContact O-CE 3.42Å
675	C	93.9	Very high	92.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-103.7	-39.5	178.2	-69.3	0	0	0	0	111.7	Y612 C616 V669 C672 S673 Q677 K678	Y612-C675 HydrophobicContact CD1-CB 4.34Å; C616-C675 VanDerWaalsContact SG-SG 3.63Å; V669-C675 HydrophobicContact CB-CB 4.22Å; V669-C675 HydrophobicContact CG1-CB 4.09Å; V669-C675 HydrophobicContact CG2-CB 4.22Å; C672-C675 HydrophobicContact CB-CB 4.22Å; C672-C675 PolarHBondContact O-N 3.48Å; S673-C675 VanDerWaalsContact C-N 3.29Å; S673-C675 PolarHBondContact O-N 3.31Å; C675-Q677 VanDerWaalsContact C-N 3.28Å; C675-Q677 PolarHBondContact O-N 2.98Å; C675-K678 WeakPolarHBondContact O-CB 3.36Å; C675-K678 PolarHBondContact O-N 3.46Å
676	S	92.4	Very high	92.3	Very high	32 Å²	32	55.2 Å²	55.2	22%	0.224	31%	0.305	C	S	.	.	H	α-helix	trans	-65.2	-32.3	179.2	64.5	0	0	0	0	112.6	V669 C672 S673 K678 G679 Y692	V669-S676 PolarHBondContact O-N 2.96Å; C672-S676 PolarHBondContact O-N 3.36Å; C672-S676 PolarHBondContact O-OG 3.43Å; S673-S676 PolarHBondContact O-OG 3.12Å; S676-K678 PolarHBondContact O-N 3.26Å; S676-G679 PolarHBondContact O-N 3.02Å; S676-Y692 WeakPolarHBondContact CA-OH 3.28Å; S676-Y692 PolarHBondContact O-OH 3.24Å
677	Q	90.1	Very high	92	Very high	144 Å²	144	58.2 Å²	58.2	67%	0.673	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-9.2	172.9	-72.2	173.1	-10.1	0	0	114.3	S673 C675	S673-Q677 WeakPolarHBondContact O-CB 3.33Å; S673-Q677 VanDerWaalsContact O-CD 3.3Å; S673-Q677 WeakPolarHBondContact O-CG 3.07Å; S673-Q677 PolarHBondContact O-N 3.5Å; S673-Q677 PolarHBondContact O-OE1 2.82Å; C675-Q677 VanDerWaalsContact C-N 3.28Å; C675-Q677 PolarHBondContact O-N 2.98Å
678	K	90.4	Very high	91.5	Very high	46 Å²	46	57.3 Å²	57.3	20%	0.2	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	15.7	177.3	-61	172.7	-177.5	165.8	0	112.7	Y612 S615 L674 C675 S676	Y612-K678 HydrophobicContact CD1-CB 4.05Å; Y612-K678 HydrophobicContact CE1-CB 3.58Å; Y612-K678 VanDerWaalsContact CE1-O 3.26Å; Y612-K678 WeakPolarHBondContact CE1-O 3.45Å; Y612-K678 PolarHBondContact OH-O 3.29Å; S615-K678 PolarHBondContact O-NZ 3.25Å; S615-K678 PolarHBondContact OG-NZ 2.66Å; L674-K678 WeakPolarHBondContact O-CD 3.46Å; L674-K678 WeakPolarHBondContact O-CE 3.42Å; C675-K678 WeakPolarHBondContact O-CB 3.36Å; C675-K678 PolarHBondContact O-N 3.46Å; S676-K678 PolarHBondContact O-N 3.26Å
679	G	89.5	Confident	91.2	Very high	22 Å²	22	60.6 Å²	60.6	23%	0.227	34%	0.338	C	S	.	.			trans	-78.7	169.5	166.7	0	0	0	0	0	111.7	S676 L691	S676-G679 PolarHBondContact O-N 3.02Å; G679-L691 WeakPolarHBondContact CA-O 3.48Å
680	F	90.6	Very high	91	Very high	25 Å²	25	64.7 Å²	64.7	11%	0.11	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	151.5	-178.2	-65.1	-97.2	0	0	0	110.5	F20 L691 P693 V708	F20-F680 HydrophobicContact CD2-CZ 4.33Å; F680-L691 PolarHBondContact N-O 2.76Å; F680-L691 PolarHBondContact O-N 2.69Å; F680-P693 HydrophobicContact CD2-CG 4.18Å; F680-P693 HydrophobicContact CE2-CG 3.65Å; F680-V708 HydrophobicContact CB-CB 3.9Å; F680-V708 HydrophobicContact CD1-CB 4.42Å; F680-V708 HydrophobicContact CD1-CG2 4.41Å; F680-V708 HydrophobicContact CD2-CB 3.97Å; F680-V708 HydrophobicContact CD2-CG2 3.64Å; F680-V708 HydrophobicContact CE2-CG2 3.9Å; F680-V708 HydrophobicContact CG-CB 3.84Å; F680-V708 HydrophobicContact CG-CG2 3.93Å; F680-V708 HydrophobicContact CZ-CG2 4.38Å
681	I	91.6	Very high	90.9	Very high	86 Å²	86	59 Å²	59	44%	0.441	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	136.2	167.1	-59.2	175.3	0	0	0	107.6	E683	I681-E683 PolarHBondContact O-N 2.89Å; I681-E683 VanDerWaalsContact O-N 3.15Å
682	C	92.1	Very high	90.8	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.308	C	S	.	.			trans	-71.6	108	-177.8	-175.9	0	0	0	0	111.5	I684 C685 N686 L691 H710	C682-I684 PolarHBondContact O-N 3.33Å; C682-C685 PolarHBondContact O-N 2.94Å; C682-N686 WeakPolarHBondContact O-CA 3.45Å; C682-N686 PolarHBondContact O-N 3.37Å; C682-L691 HydrophobicContact CB-CD1 3.95Å; C682-H710 WeakPolarHBondContact CB-ND1 3.18Å
683	E	89.3	Confident	90.4	Very high	68 Å²	68	55.4 Å²	55.4	32%	0.318	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-5.6	-179.9	-44.5	-175.1	163.2	0	0	114.9	I681 F709 P721 R722 R725	I681-E683 PolarHBondContact O-N 2.89Å; I681-E683 VanDerWaalsContact O-N 3.15Å; E683-F709 HydrophobicContact CB-CE1 4.01Å; E683-F709 HydrophobicContact CG-CE1 4.06Å; E683-P721 HydrophobicContact CB-CG 4.26Å; E683-R722 WeakPolarHBondContact OE1-CD 3.44Å; E683-R722 IonicContact OE1-NE 3.71Å; E683-R725 IonicContact OE1-NH2 2.68Å; E683-R725 PolarHBondContact OE1-NH2 2.94Å; E683-R725 IonicContact OE2-CZ 2.63Å; E683-R725 IonicContact OE2-NH2 3.38Å; E683-R725 PolarHBondContact OE2-NH2 2.9Å
684	I	88.2	Confident	90.3	Very high	59 Å²	59	52.2 Å²	52.2	30%	0.303	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-43.1	-175	-60.4	159.6	0	0	0	111.5	C682 F709 C713 A717 P721	C682-I684 PolarHBondContact O-N 3.33Å; I684-F709 HydrophobicContact CD1-CB 4.04Å; I684-F709 HydrophobicContact CD1-CD1 3.36Å; I684-F709 HydrophobicContact CD1-CE1 3.98Å; I684-F709 HydrophobicContact CD1-CG 3.8Å; I684-F709 HydrophobicContact CG1-CD1 3.76Å; I684-F709 HydrophobicContact CG1-CE1 4.09Å; I684-C713 HydrophobicContact CB-CB 4.04Å; I684-C713 HydrophobicContact CD1-CB 3.97Å; I684-C713 HydrophobicContact CG2-CB 3.96Å; I684-A717 HydrophobicContact CD1-CB 3.83Å; I684-A717 HydrophobicContact CG1-CB 4.14Å; I684-A717 HydrophobicContact CG2-CB 4.07Å; I684-P721 HydrophobicContact CG1-CG 4.17Å
685	C	89.8	Confident	90	Very high	55 Å²	55	50.4 Å²	50.4	37%	0.372	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-20.1	179.3	65.3	0	0	0	0	113.3	C682 N687 H710	C682-C685 PolarHBondContact O-N 2.94Å; C685-N687 PolarHBondContact O-N 2.61Å; C685-N687 VanDerWaalsContact O-N 3.09Å; C685-H710 VanDerWaalsContact SG-CE1 3.53Å; C685-H710 PolarHBondContact SG-ND1 2.63Å
686	N	87.2	Confident	89.3	Confident	124 Å²	124	54.3 Å²	54.3	66%	0.663	30%	0.298	S	S	*	.			trans	45.6	37.3	-178.9	-157.7	35.6	0	0	0	114.6	C682 G688	C682-N686 WeakPolarHBondContact O-CA 3.45Å; C682-N686 PolarHBondContact O-N 3.37Å; N686-G688 PolarHBondContact O-N 3.42Å; N686-G688 VanDerWaalsContact O-N 3.1Å
687	N	89.3	Confident	88.9	Confident	85 Å²	85	59.9 Å²	59.9	46%	0.455	32%	0.323	S	S	.	.			trans	-74.4	5	-172.4	72.7	-24.3	0	0	0	115	C685 E689 H710	C685-N687 PolarHBondContact O-N 2.61Å; C685-N687 VanDerWaalsContact O-N 3.09Å; N687-E689 WeakPolarHBondContact ND2-CB 3.31Å; N687-E689 PolarHBondContact ND2-OE2 2.81Å; N687-E689 PolarHBondContact O-N 2.86Å; N687-E689 VanDerWaalsContact OD1-CB 3.26Å; N687-E689 WeakPolarHBondContact OD1-CB 3.43Å; N687-E689 PolarHBondContact OD1-N 3.03Å; N687-H710 PolarHBondContact OD1-CE1 3.42Å
688	G	85.2	Confident	88.7	Confident	54 Å²	54	55.9 Å²	55.9	56%	0.557	31%	0.311	S	S	*	.	S	Bend	trans	71.9	3.6	-177	0	0	0	0	0	115.3	N686	N686-G688 PolarHBondContact O-N 3.42Å; N686-G688 VanDerWaalsContact O-N 3.1Å
689	E	89.9	Confident	88.6	Confident	98 Å²	98	54.2 Å²	54.2	46%	0.458	31%	0.305	S	S	.	.			trans	-78.3	134	177.6	-169.2	175.6	-167.5	0	0	110.7	N687 L691 H710	N687-E689 WeakPolarHBondContact ND2-CB 3.31Å; N687-E689 PolarHBondContact ND2-OE2 2.81Å; N687-E689 PolarHBondContact O-N 2.86Å; N687-E689 VanDerWaalsContact OD1-CB 3.26Å; N687-E689 WeakPolarHBondContact OD1-CB 3.43Å; N687-E689 PolarHBondContact OD1-N 3.03Å; E689-L691 HydrophobicContact CG-CD2 4.1Å; E689-H710 IonicContact OE2-CD2 2.7Å; E689-H710 IonicContact OE2-CE1 3.68Å; E689-H710 IonicContact OE2-NE2 2.64Å; E689-H710 PolarHBondContact OE2-NE2 2.95Å
690	I	91.3	Very high	88.5	Confident	86 Å²	86	54.9 Å²	54.9	44%	0.441	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	113.8	179.5	-54.1	177.4	0	0	0	108.8	Y692	I690-Y692 HydrophobicContact CB-CE2 4.46Å; I690-Y692 HydrophobicContact CG2-CE1 4.27Å; I690-Y692 HydrophobicContact CG2-CE2 3.87Å; I690-Y692 WeakPolarHBondContact CG2-OH 3.03Å
691	L	92	Very high	88.4	Confident	2 Å²	2	56 Å²	56	1%	0.01	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	146.2	-178.7	-55.3	-174.9	0	0	0	111.7	G679 F680 C682 E689 T699 V708	G679-L691 WeakPolarHBondContact CA-O 3.48Å; F680-L691 PolarHBondContact N-O 2.76Å; F680-L691 PolarHBondContact O-N 2.69Å; C682-L691 HydrophobicContact CB-CD1 3.95Å; E689-L691 HydrophobicContact CG-CD2 4.1Å; L691-T699 HydrophobicContact CB-CG2 3.89Å; L691-T699 HydrophobicContact CD1-CG2 4.3Å; L691-T699 HydrophobicContact CD2-CG2 4.12Å; L691-T699 HydrophobicContact CG-CG2 4.33Å; L691-V708 HydrophobicContact CB-CG1 4.03Å; L691-V708 HydrophobicContact CD1-CG1 4.41Å
692	Y	92	Very high	88.3	Confident	12 Å²	12	52.3 Å²	52.3	5%	0.047	29%	0.291	C	S	.	.			trans	-124	140.7	177.8	-59.3	-88.8	0	0	0	113.2	Y612 V669 Y670 S676 I690 F694 E695 T699	Y612-Y692 HydrophobicContact CE1-CD1 4.02Å; Y612-Y692 HydrophobicContact CE1-CE1 4.34Å; V669-Y692 HydrophobicContact CG1-CD1 3.77Å; V669-Y692 HydrophobicContact CG1-CE1 3.48Å; V669-Y692 VanDerWaalsContact CG1-CE1 3.48Å; Y670-Y692 HydrophobicContact CD1-CE2 4.04Å; Y670-Y692 AromaticContact CE1-CD2 3.93Å; Y670-Y692 HydrophobicContact CE1-CD2 3.93Å; Y670-Y692 AromaticContact CE1-CE2 3.83Å; Y670-Y692 HydrophobicContact CE1-CE2 3.83Å; S676-Y692 WeakPolarHBondContact CA-OH 3.28Å; S676-Y692 PolarHBondContact O-OH 3.24Å; I690-Y692 HydrophobicContact CB-CE2 4.46Å; I690-Y692 HydrophobicContact CG2-CE1 4.27Å; I690-Y692 HydrophobicContact CG2-CE2 3.87Å; I690-Y692 WeakPolarHBondContact CG2-OH 3.03Å; Y692-F694 VanDerWaalsContact CB-CE1 3.43Å; Y692-F694 AromaticContact CD1-CE1 3.84Å; Y692-F694 HydrophobicContact CD1-CE1 3.84Å; Y692-F694 AromaticContact CD1-CZ 3.85Å; Y692-F694 HydrophobicContact CD1-CZ 3.85Å; Y692-F694 HydrophobicContact CD2-CZ 4.08Å; Y692-F694 AromaticContact CG-CE1 3.79Å; Y692-F694 HydrophobicContact CG-CE1 3.79Å; Y692-F694 HydrophobicContact CG-CE2 4.16Å; Y692-F694 AromaticContact CG-CZ 3.49Å; Y692-F694 HydrophobicContact CG-CZ 3.49Å; Y692-F694 VanDerWaalsContact CG-CZ 3.49Å; Y692-F694 PolarHBondContact O-N 2.9Å; Y692-E695 PolarHBondContact N-OE2 2.95Å; Y692-E695 WeakPolarHBondContact O-CB 3.47Å; Y692-E695 PolarHBondContact O-N 3.07Å; Y692-T699 PolarHBondContact O-OG1 3.47Å
693	P	88.3	Confident	87.9	Confident	20 Å²	20	56.6 Å²	56.6	13%	0.13	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	6.7	178.7	-13	23.3	0	0	0	116.2	F20 S608 Y612 F680 V708	F20-P693 HydrophobicContact CE1-CG 4.47Å; F20-P693 HydrophobicContact CZ-CG 4.42Å; S608-P693 PolarHBondContact OG-O 2.84Å; S608-P693 VanDerWaalsContact OG-O 3.05Å; Y612-P693 HydrophobicContact CE2-CG 4.5Å; Y612-P693 WeakPolarHBondContact OH-CD 3.38Å; F680-P693 HydrophobicContact CD2-CG 4.18Å; F680-P693 HydrophobicContact CE2-CG 3.65Å; P693-V708 HydrophobicContact CB-CG2 4.23Å; P693-V708 HydrophobicContact CG-CG2 3.86Å
694	F	89.6	Confident	87.7	Confident	3 Å²	3	59.9 Å²	59.9	1%	0.013	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	4.3	173.9	57.4	-108.3	0	0	0	112.3	Q605 L609 Y612 T666 V669 Y670 Y692 D696	Q605-F694 HydrophobicContact CG-CB 3.84Å; Q605-F694 WeakPolarHBondContact CG-O 3.48Å; Q605-F694 PolarHBondContact NE2-O 2.8Å; L609-F694 HydrophobicContact CD1-CB 4.33Å; L609-F694 HydrophobicContact CD1-CG 4.39Å; L609-F694 HydrophobicContact CD2-CB 4.37Å; L609-F694 HydrophobicContact CD2-CD1 3.36Å; L609-F694 HydrophobicContact CD2-CD2 4.14Å; L609-F694 HydrophobicContact CD2-CE1 3.5Å; L609-F694 HydrophobicContact CD2-CE2 4.28Å; L609-F694 HydrophobicContact CD2-CG 3.7Å; L609-F694 HydrophobicContact CD2-CZ 3.98Å; L609-F694 HydrophobicContact CG-CB 3.91Å; L609-F694 HydrophobicContact CG-CD1 3.75Å; L609-F694 HydrophobicContact CG-CD2 4.49Å; L609-F694 HydrophobicContact CG-CE1 4.39Å; L609-F694 HydrophobicContact CG-CG 3.81Å; Y612-F694 HydrophobicContact CD2-CD1 4.35Å; Y612-F694 HydrophobicContact CD2-CE1 4.24Å; Y612-F694 HydrophobicContact CE2-CD1 4.19Å; Y612-F694 HydrophobicContact CE2-CE1 4.16Å; T666-F694 HydrophobicContact CG2-CD2 3.94Å; T666-F694 HydrophobicContact CG2-CE2 3.89Å; V669-F694 HydrophobicContact CB-CE1 4.2Å; V669-F694 HydrophobicContact CB-CZ 4.02Å; V669-F694 HydrophobicContact CG1-CE1 3.89Å; V669-F694 HydrophobicContact CG1-CZ 3.77Å; V669-F694 HydrophobicContact CG2-CE1 4.03Å; V669-F694 HydrophobicContact CG2-CZ 4.31Å; Y670-F694 HydrophobicContact CE1-CE2 4.23Å; Y670-F694 HydrophobicContact CE1-CZ 4.29Å; Y692-F694 VanDerWaalsContact CB-CE1 3.43Å; Y692-F694 AromaticContact CD1-CE1 3.84Å; Y692-F694 HydrophobicContact CD1-CE1 3.84Å; Y692-F694 AromaticContact CD1-CZ 3.85Å; Y692-F694 HydrophobicContact CD1-CZ 3.85Å; Y692-F694 HydrophobicContact CD2-CZ 4.08Å; Y692-F694 AromaticContact CG-CE1 3.79Å; Y692-F694 HydrophobicContact CG-CE1 3.79Å; Y692-F694 HydrophobicContact CG-CE2 4.16Å; Y692-F694 AromaticContact CG-CZ 3.49Å; Y692-F694 HydrophobicContact CG-CZ 3.49Å; Y692-F694 VanDerWaalsContact CG-CZ 3.49Å; Y692-F694 PolarHBondContact O-N 2.9Å; F694-D696 PolarHBondContact O-N 3.3Å
695	E	88.3	Confident	87.6	Confident	38 Å²	38	57.3 Å²	57.3	18%	0.178	32%	0.319	C	S	.	.			trans	-99.1	67.3	175.5	-61.3	171.9	145.4	0	0	108.8	Y670 Y692 I697 S698 T699	Y670-E695 PolarHBondContact OH-OE1 3Å; Y670-E695 VanDerWaalsContact OH-OE1 3.09Å; Y692-E695 PolarHBondContact N-OE2 2.95Å; Y692-E695 WeakPolarHBondContact O-CB 3.47Å; Y692-E695 PolarHBondContact O-N 3.07Å; E695-I697 PolarHBondContact O-N 2.98Å; E695-I697 VanDerWaalsContact O-N 3.08Å; E695-S698 PolarHBondContact O-N 3.34Å; E695-T699 HydrophobicContact CB-CG2 3.9Å; E695-T699 WeakPolarHBondContact O-CB 3.27Å; E695-T699 PolarHBondContact O-N 2.74Å; E695-T699 PolarHBondContact O-OG1 2.86Å
696	D	77.5	Confident	87.4	Confident	81 Å²	81	54.8 Å²	54.8	43%	0.433	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-13.5	-169.2	60.9	-33.7	0	0	0	115.3	R601 F694	R601-D696 WeakPolarHBondContact CD-OD2 3.35Å; R601-D696 VanDerWaalsContact CG-OD2 3.29Å; R601-D696 WeakPolarHBondContact CG-OD2 3.2Å; F694-D696 PolarHBondContact O-N 3.3Å
697	I	84.3	Confident	87.5	Confident	149 Å²	149	49 Å²	49	76%	0.764	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-49.4	178.2	-56.8	174.7	0	0	0	111.1	E695 S711	E695-I697 PolarHBondContact O-N 2.98Å; E695-I697 VanDerWaalsContact O-N 3.08Å; I697-S711 PolarHBondContact O-OG 2.83Å
698	S	86.1	Confident	87.6	Confident	60 Å²	60	45.1 Å²	45.1	42%	0.42	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-21	-175.8	45.3	0	0	0	0	113.4	E695 H710 S711	E695-S698 PolarHBondContact O-N 3.34Å; S698-H710 WeakPolarHBondContact O-CA 3.5Å; S698-S711 VanDerWaalsContact C-OG 3.25Å; S698-S711 PolarHBondContact O-N 3.12Å; S698-S711 PolarHBondContact O-OG 3.39Å
699	T	89.8	Confident	87.9	Confident	12 Å²	12	42.5 Å²	42.5	7%	0.074	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	150.3	-173.1	76.1	0	0	0	0	113.3	L691 Y692 E695 V708 F709 S711	L691-T699 HydrophobicContact CB-CG2 3.89Å; L691-T699 HydrophobicContact CD1-CG2 4.3Å; L691-T699 HydrophobicContact CD2-CG2 4.12Å; L691-T699 HydrophobicContact CG-CG2 4.33Å; Y692-T699 PolarHBondContact O-OG1 3.47Å; E695-T699 HydrophobicContact CB-CG2 3.9Å; E695-T699 WeakPolarHBondContact O-CB 3.27Å; E695-T699 PolarHBondContact O-N 2.74Å; E695-T699 PolarHBondContact O-OG1 2.86Å; T699-V708 HydrophobicContact CG2-CG1 4.05Å; T699-F709 CarbonylContact C-O 3.54Å; T699-F709 VanDerWaalsContact CA-O 3.31Å; T699-F709 WeakPolarHBondContact CA-O 3.37Å; T699-S711 VanDerWaalsContact C-OG 3.27Å; T699-S711 PolarHBondContact N-OG 3.24Å; T699-S711 PolarHBondContact O-OG 3.3Å
700	S	87.4	Confident	88	Confident	35 Å²	35	39.2 Å²	39.2	25%	0.245	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	134.9	174.5	178.5	0	0	0	0	109.9	F709	S700-F709 PolarHBondContact N-O 3.38Å; S700-F709 PolarHBondContact O-N 3.23Å
701	R	88.1	Confident	87.9	Confident	49 Å²	49	36.8 Å²	36.8	19%	0.185	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	144.5	-177	-156.7	-178.6	92.5	158.1	12.4	111	F20 E703 G706 V708	F20-R701 VanDerWaalsContact O-CZ 3.31Å; F20-R701 PolarHBondContact O-NH1 2.82Å; F20-R701 PolarHBondContact O-NH2 3.19Å; R701-E703 PolarHBondContact O-N 2.89Å; R701-G706 WeakPolarHBondContact CG-O 3.48Å; R701-V708 HydrophobicContact CG-CG2 4.21Å
702	C	87.8	Confident	87.8	Confident	8 Å²	8	42.9 Å²	42.9	5%	0.054	23%	0.228	C	C	.	.			trans	-78.3	120.7	169.4	-176.3	0	0	0	0	111.5	N704 C705 G706 A707 F709 C720	C702-N704 PolarHBondContact O-N 2.94Å; C702-C705 PolarHBondContact O-N 3.4Å; C702-G706 PolarHBondContact O-N 3.3Å; C702-A707 PolarHBondContact N-O 3.21Å; C702-F709 HydrophobicContact CB-CE2 4.23Å; C702-C720 HydrophobicContact CB-CB 4.4Å
703	E	84	Confident	87.7	Confident	90 Å²	90	43.3 Å²	43.3	42%	0.421	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-34.6	175.4	-63.1	-173.1	132.8	0	0	113	R701	R701-E703 PolarHBondContact O-N 2.89Å
704	N	84.9	Confident	87.5	Confident	138 Å²	138	43.8 Å²	43.8	74%	0.738	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-15.5	-173	-65	97.7	0	0	0	115.8	C702	C702-N704 PolarHBondContact O-N 2.94Å
705	C	87.8	Confident	87.2	Confident	5 Å²	5	49.1 Å²	49.1	3%	0.034	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-151	6.7	-173.6	77.7	0	0	0	0	116.1	N21 C702 A707	N21-C705 WeakPolarHBondContact OD1-CA 3.36Å; N21-C705 PolarHBondContact OD1-O 3.24Å; C702-C705 PolarHBondContact O-N 3.4Å; C705-A707 PolarHBondContact O-N 3.25Å
706	G	85.4	Confident	86.7	Confident	2 Å²	2	54.6 Å²	54.6	2%	0.021	29%	0.288	C	S	.	.			trans	73.9	-15.4	170.2	0	0	0	0	0	115.7	N21 R701 C702	N21-G706 VanDerWaalsContact OD1-CA 3.25Å; N21-G706 WeakPolarHBondContact OD1-CA 3.34Å; N21-G706 PolarHBondContact OD1-N 3.33Å; R701-G706 WeakPolarHBondContact CG-O 3.48Å; C702-G706 PolarHBondContact O-N 3.3Å
707	A	89.3	Confident	86.1	Confident	3 Å²	3	51.9 Å²	51.9	3%	0.025	28%	0.277	C	S	.	.			trans	-56.9	136	176.7	0	0	0	0	0	111.7	C702 C705 F709	C702-A707 PolarHBondContact N-O 3.21Å; C705-A707 PolarHBondContact O-N 3.25Å; A707-F709 HydrophobicContact CB-CE2 3.75Å; A707-F709 HydrophobicContact CB-CZ 3.79Å; A707-F709 WeakPolarHBondContact O-CE2 3.48Å
708	V	90.5	Very high	85.7	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.012	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	140.6	-178.2	-177.5	0	0	0	0	110.1	F680 L691 P693 T699 R701	F680-V708 HydrophobicContact CB-CB 3.9Å; F680-V708 HydrophobicContact CD1-CB 4.42Å; F680-V708 HydrophobicContact CD1-CG2 4.41Å; F680-V708 HydrophobicContact CD2-CB 3.97Å; F680-V708 HydrophobicContact CD2-CG2 3.64Å; F680-V708 HydrophobicContact CE2-CG2 3.9Å; F680-V708 HydrophobicContact CG-CB 3.84Å; F680-V708 HydrophobicContact CG-CG2 3.93Å; F680-V708 HydrophobicContact CZ-CG2 4.38Å; L691-V708 HydrophobicContact CB-CG1 4.03Å; L691-V708 HydrophobicContact CD1-CG1 4.41Å; P693-V708 HydrophobicContact CB-CG2 4.23Å; P693-V708 HydrophobicContact CG-CG2 3.86Å; T699-V708 HydrophobicContact CG2-CG1 4.05Å; R701-V708 HydrophobicContact CG-CG2 4.21Å
709	F	91.4	Very high	85.5	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	163.5	178.1	-52.2	-89.9	0	0	0	108.7	E683 I684 T699 S700 C702 A707 K714 C720 P721	E683-F709 HydrophobicContact CB-CE1 4.01Å; E683-F709 HydrophobicContact CG-CE1 4.06Å; I684-F709 HydrophobicContact CD1-CB 4.04Å; I684-F709 HydrophobicContact CD1-CD1 3.36Å; I684-F709 HydrophobicContact CD1-CE1 3.98Å; I684-F709 HydrophobicContact CD1-CG 3.8Å; I684-F709 HydrophobicContact CG1-CD1 3.76Å; I684-F709 HydrophobicContact CG1-CE1 4.09Å; T699-F709 CarbonylContact C-O 3.54Å; T699-F709 VanDerWaalsContact CA-O 3.31Å; T699-F709 WeakPolarHBondContact CA-O 3.37Å; S700-F709 PolarHBondContact N-O 3.38Å; S700-F709 PolarHBondContact O-N 3.23Å; C702-F709 HydrophobicContact CB-CE2 4.23Å; A707-F709 HydrophobicContact CB-CE2 3.75Å; A707-F709 HydrophobicContact CB-CZ 3.79Å; A707-F709 WeakPolarHBondContact O-CE2 3.48Å; F709-K714 HydrophobicContact CB-CB 4.21Å; F709-K714 HydrophobicContact CD2-CD 3.77Å; F709-K714 HydrophobicContact CE2-CD 4.31Å; F709-K714 HydrophobicContact CG-CD 4.32Å; F709-C720 VanDerWaalsContact CZ-SG 3.6Å; F709-P721 HydrophobicContact CE1-CG 4.01Å; F709-P721 HydrophobicContact CZ-CG 4.32Å
710	H	92.1	Very high	85.5	Confident	28 Å²	28	51.7 Å²	51.7	13%	0.13	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	143	165.5	-56.6	85	0	0	0	110.2	C682 C685 N687 E689 S698 E712 C713 K714	C682-H710 WeakPolarHBondContact CB-ND1 3.18Å; C685-H710 VanDerWaalsContact SG-CE1 3.53Å; C685-H710 PolarHBondContact SG-ND1 2.63Å; N687-H710 PolarHBondContact OD1-CE1 3.42Å; E689-H710 IonicContact OE2-CD2 2.7Å; E689-H710 IonicContact OE2-CE1 3.68Å; E689-H710 IonicContact OE2-NE2 2.64Å; E689-H710 PolarHBondContact OE2-NE2 2.95Å; S698-H710 WeakPolarHBondContact O-CA 3.5Å; H710-E712 VanDerWaalsContact C-N 3.29Å; H710-E712 PolarHBondContact O-N 3.15Å; H710-C713 HydrophobicContact CB-CB 4.06Å; H710-C713 PolarHBondContact O-N 3.22Å; H710-K714 PolarHBondContact O-N 2.81Å
711	S	89.8	Confident	85.5	Confident	36 Å²	36	51.9 Å²	51.9	25%	0.252	28%	0.282	S	S	.	.	H	α-helix	trans	-53.1	-46.6	178.8	-56	0	0	0	0	111.8	I697 S698 T699 C713 K714 V715	I697-S711 PolarHBondContact O-OG 2.83Å; S698-S711 VanDerWaalsContact C-OG 3.25Å; S698-S711 PolarHBondContact O-N 3.12Å; S698-S711 PolarHBondContact O-OG 3.39Å; T699-S711 VanDerWaalsContact C-OG 3.27Å; T699-S711 PolarHBondContact N-OG 3.24Å; T699-S711 PolarHBondContact O-OG 3.3Å; S711-C713 PolarHBondContact O-N 2.92Å; S711-K714 PolarHBondContact O-N 2.95Å; S711-V715 WeakPolarHBondContact O-CG2 3.23Å; S711-V715 PolarHBondContact O-N 2.97Å; S711-V715 VanDerWaalsContact O-N 3.09Å
712	E	89.7	Confident	85.4	Confident	130 Å²	130	51.8 Å²	51.8	61%	0.607	28%	0.282	S	S	*	.	H	α-helix	trans	-60.1	-44.9	175.2	-72.8	-166.5	-138.8	0	0	113.6	H710 K714 V715 K716	H710-E712 VanDerWaalsContact C-N 3.29Å; H710-E712 PolarHBondContact O-N 3.15Å; E712-K714 VanDerWaalsContact C-N 3.31Å; E712-K714 PolarHBondContact O-N 3.02Å; E712-V715 PolarHBondContact O-N 3.41Å; E712-K716 WeakPolarHBondContact O-CD 3.46Å; E712-K716 VanDerWaalsContact O-CG 3.26Å; E712-K716 WeakPolarHBondContact O-CG 3.2Å; E712-K716 PolarHBondContact O-N 2.99Å; E712-K716 VanDerWaalsContact O-N 3.07Å; E712-K716 IonicContact OE2-NZ 2.67Å; E712-K716 PolarHBondContact OE2-NZ 3.13Å
713	C	88.9	Confident	85.5	Confident	20 Å²	20	52.8 Å²	52.8	14%	0.135	29%	0.288	C	S	.	.	H	α-helix	trans	-64.4	-40.1	179.9	-69.2	0	0	0	0	110.6	I684 H710 S711 V715 K716 A717	I684-C713 HydrophobicContact CB-CB 4.04Å; I684-C713 HydrophobicContact CD1-CB 3.97Å; I684-C713 HydrophobicContact CG2-CB 3.96Å; H710-C713 HydrophobicContact CB-CB 4.06Å; H710-C713 PolarHBondContact O-N 3.22Å; S711-C713 PolarHBondContact O-N 2.92Å; C713-V715 PolarHBondContact O-N 3.25Å; C713-K716 PolarHBondContact O-N 3.07Å; C713-A717 WeakPolarHBondContact O-CB 3.24Å; C713-A717 PolarHBondContact O-N 3.41Å
714	K	85.8	Confident	85.6	Confident	30 Å²	30	51 Å²	51	13%	0.13	28%	0.284	C	S	.	.	H	α-helix	trans	-68.8	-32.5	179.7	-170.3	64.6	-140.3	70.6	0	113.1	F709 H710 S711 E712 A717	F709-K714 HydrophobicContact CB-CB 4.21Å; F709-K714 HydrophobicContact CD2-CD 3.77Å; F709-K714 HydrophobicContact CE2-CD 4.31Å; F709-K714 HydrophobicContact CG-CD 4.32Å; H710-K714 PolarHBondContact O-N 2.81Å; S711-K714 PolarHBondContact O-N 2.95Å; E712-K714 VanDerWaalsContact C-N 3.31Å; E712-K714 PolarHBondContact O-N 3.02Å; K714-A717 PolarHBondContact NZ-O 2.76Å
715	V	83.1	Confident	85.7	Confident	116 Å²	116	50.7 Å²	50.7	70%	0.703	27%	0.272	S	S	*	.	H	α-helix	trans	-69.5	-44.3	172	171.9	0	0	0	0	110.9	S711 E712 C713 A717	S711-V715 WeakPolarHBondContact O-CG2 3.23Å; S711-V715 PolarHBondContact O-N 2.97Å; S711-V715 VanDerWaalsContact O-N 3.09Å; E712-V715 PolarHBondContact O-N 3.41Å; C713-V715 PolarHBondContact O-N 3.25Å; V715-A717 VanDerWaalsContact C-N 3.33Å; V715-A717 PolarHBondContact O-N 3.37Å
716	K	76.4	Confident	85.7	Confident	152 Å²	152	54 Å²	54	66%	0.661	29%	0.286	S	S	*	.	H	α-helix	trans	-67.5	-29.9	179.3	-67.1	161.8	-169.7	166.8	0	113	E712 C713	E712-K716 WeakPolarHBondContact O-CD 3.46Å; E712-K716 VanDerWaalsContact O-CG 3.26Å; E712-K716 WeakPolarHBondContact O-CG 3.2Å; E712-K716 PolarHBondContact O-N 2.99Å; E712-K716 VanDerWaalsContact O-N 3.07Å; E712-K716 IonicContact OE2-NZ 2.67Å; E712-K716 PolarHBondContact OE2-NZ 3.13Å; C713-K716 PolarHBondContact O-N 3.07Å
717	A	66.8	Low	85.7	Confident	25 Å²	25	58.6 Å²	58.6	21%	0.207	31%	0.307	C	S	.	.			trans	-116.3	89.2	-179.2	0	0	0	0	0	112.8	I684 C713 K714 V715	I684-A717 HydrophobicContact CD1-CB 3.83Å; I684-A717 HydrophobicContact CG1-CB 4.14Å; I684-A717 HydrophobicContact CG2-CB 4.07Å; C713-A717 WeakPolarHBondContact O-CB 3.24Å; C713-A717 PolarHBondContact O-N 3.41Å; K714-A717 PolarHBondContact NZ-O 2.76Å; V715-A717 VanDerWaalsContact C-N 3.33Å; V715-A717 PolarHBondContact O-N 3.37Å
718	V	74.6	Confident	85.5	Confident	118 Å²	118	63.1 Å²	63.1	72%	0.715	33%	0.33	S	S	*	.			trans	-111.7	117.3	162.4	-177.4	0	0	0	0	106.5
719	P	82.9	Confident	85.1	Confident	90 Å²	90	68.5 Å²	68.5	58%	0.584	36%	0.355	S	S	*	.	S	Bend	cis	-87.7	175.1	17.8	-4.7	24.4	0	0	0	115	V724	P719-V724 HydrophobicContact CB-CG2 3.85Å; P719-V724 HydrophobicContact CG-CG2 4.1Å
720	C	88.4	Confident	84.5	Confident	9 Å²	9	75.8 Å²	75.8	6%	0.061	39%	0.387	C	S	.	.			trans	-69	125.4	171.9	174.4	0	0	0	0	111.2	C702 F709 R722 C723 V724	C702-C720 HydrophobicContact CB-CB 4.4Å; F709-C720 VanDerWaalsContact CZ-SG 3.6Å; C720-R722 VanDerWaalsContact C-N 3.33Å; C720-R722 PolarHBondContact O-N 3.14Å; C720-C723 HydrophobicContact CB-CB 4Å; C720-C723 WeakPolarHBondContact O-CB 3.24Å; C720-C723 PolarHBondContact O-N 2.76Å; C720-V724 WeakPolarHBondContact O-CG2 3.26Å; C720-V724 PolarHBondContact O-N 3.08Å
721	P	87.4	Confident	83.4	Confident	38 Å²	38	80.2 Å²	80.2	25%	0.247	41%	0.406	C	S	.	.	H	α-helix	trans	-62.1	-38.6	-176.1	23.8	-33.4	0	0	0	112.5	E683 I684 F709 C723 V724 R725	E683-P721 HydrophobicContact CB-CG 4.26Å; I684-P721 HydrophobicContact CG1-CG 4.17Å; F709-P721 HydrophobicContact CE1-CG 4.01Å; F709-P721 HydrophobicContact CZ-CG 4.32Å; P721-C723 PolarHBondContact O-N 2.85Å; P721-V724 PolarHBondContact O-N 3.27Å; P721-R725 WeakPolarHBondContact O-CG 3.37Å; P721-R725 PolarHBondContact O-N 2.86Å
722	R	86.5	Confident	82.1	Confident	47 Å²	47	84 Å²	84	18%	0.177	42%	0.419	C	S	.	.	H	α-helix	trans	-66.1	-36.4	177.5	-155.8	173.5	-172.2	-179.3	-4.4	113.2	E17 E683 C720 K726	E17-R722 IonicContact OE1-CZ 3.78Å; E17-R722 IonicContact OE1-NH1 2.73Å; E17-R722 PolarHBondContact OE1-NH1 2.95Å; E17-R722 IonicContact OE1-NH2 3.88Å; E17-R722 PolarHBondContact OE1-NH2 3.19Å; E17-R722 IonicContact OE2-CZ 2.6Å; E17-R722 IonicContact OE2-NH1 2.8Å; E17-R722 PolarHBondContact OE2-NH1 3.02Å; E17-R722 IonicContact OE2-NH2 2.76Å; E17-R722 PolarHBondContact OE2-NH2 3.02Å; E683-R722 WeakPolarHBondContact OE1-CD 3.44Å; E683-R722 IonicContact OE1-NE 3.71Å; C720-R722 VanDerWaalsContact C-N 3.33Å; C720-R722 PolarHBondContact O-N 3.14Å; R722-K726 PolarHBondContact O-N 3.47Å
723	C	89	Confident	80.6	Confident	29 Å²	29	85.2 Å²	85.2	20%	0.196	42%	0.423	C	S	.	.	H	α-helix	trans	-65.2	-46.1	172.3	-66.8	0	0	0	0	111.4	C720 P721 R725 K726 E727	C720-C723 HydrophobicContact CB-CB 4Å; C720-C723 WeakPolarHBondContact O-CB 3.24Å; C720-C723 PolarHBondContact O-N 2.76Å; P721-C723 PolarHBondContact O-N 2.85Å; C723-R725 VanDerWaalsContact C-N 3.34Å; C723-R725 PolarHBondContact O-N 3.43Å; C723-K726 PolarHBondContact O-N 3Å; C723-E727 WeakPolarHBondContact O-CB 3.25Å; C723-E727 PolarHBondContact O-N 3.24Å
724	V	86.9	Confident	79.1	Confident	53 Å²	53	86.9 Å²	86.9	32%	0.321	44%	0.435	S	S	.	.	H	α-helix	trans	-59.5	-44.3	177.4	174.4	0	0	0	0	110.7	P719 C720 P721 E727 L728	P719-V724 HydrophobicContact CB-CG2 3.85Å; P719-V724 HydrophobicContact CG-CG2 4.1Å; C720-V724 WeakPolarHBondContact O-CG2 3.26Å; C720-V724 PolarHBondContact O-N 3.08Å; P721-V724 PolarHBondContact O-N 3.27Å; V724-E727 PolarHBondContact O-N 2.86Å; V724-L728 HydrophobicContact CG1-CD1 3.78Å; V724-L728 HydrophobicContact CG1-CG 4.24Å; V724-L728 WeakPolarHBondContact O-CB 3.35Å; V724-L728 VanDerWaalsContact O-CG 3.29Å; V724-L728 WeakPolarHBondContact O-CG 3.36Å; V724-L728 PolarHBondContact O-N 3.22Å
725	R	87.8	Confident	77.3	Confident	132 Å²	132	90.9 Å²	90.9	50%	0.498	45%	0.452	S	S	.	.	H	α-helix	trans	-60.1	-49.7	173.8	-71.4	-170.8	-68.8	149.8	-0.4	112.4	E683 P721 C723 E727 L728 Q729	E683-R725 IonicContact OE1-NH2 2.68Å; E683-R725 PolarHBondContact OE1-NH2 2.94Å; E683-R725 IonicContact OE2-CZ 2.63Å; E683-R725 IonicContact OE2-NH2 3.38Å; E683-R725 PolarHBondContact OE2-NH2 2.9Å; P721-R725 WeakPolarHBondContact O-CG 3.37Å; P721-R725 PolarHBondContact O-N 2.86Å; C723-R725 VanDerWaalsContact C-N 3.34Å; C723-R725 PolarHBondContact O-N 3.43Å; R725-E727 VanDerWaalsContact C-N 3.27Å; R725-E727 PolarHBondContact O-N 3.48Å; R725-L728 PolarHBondContact O-N 3.02Å; R725-Q729 WeakPolarHBondContact O-CG 3.33Å; R725-Q729 PolarHBondContact O-N 3.4Å; R725-Q729 VanDerWaalsContact O-N 3.09Å
726	K	86.4	Confident	75.5	Confident	74 Å²	74	93.2 Å²	93.2	32%	0.322	45%	0.448	S	S	.	.	H	α-helix	trans	-62.4	-30.2	177	-76.3	-170.5	175	-175	0	112.5	R722 C723 K730	R722-K726 PolarHBondContact O-N 3.47Å; C723-K726 PolarHBondContact O-N 3Å; K726-K730 WeakPolarHBondContact O-CG 3.23Å; K726-K730 PolarHBondContact O-N 2.95Å
727	E	86.6	Confident	74	Confident	99 Å²	99	95.9 Å²	95.9	46%	0.463	45%	0.454	S	S	.	.	H	α-helix	trans	-78.6	-43.4	176.6	-163.7	-172.1	152.1	0	0	112.8	C723 V724 R725 Q729 K730 K731	C723-E727 WeakPolarHBondContact O-CB 3.25Å; C723-E727 PolarHBondContact O-N 3.24Å; V724-E727 PolarHBondContact O-N 2.86Å; R725-E727 VanDerWaalsContact C-N 3.27Å; R725-E727 PolarHBondContact O-N 3.48Å; E727-Q729 VanDerWaalsContact C-N 3.35Å; E727-Q729 PolarHBondContact O-N 2.94Å; E727-K730 WeakPolarHBondContact O-CB 3.17Å; E727-K730 PolarHBondContact O-N 2.95Å; E727-K730 VanDerWaalsContact O-N 3.14Å; E727-K731 HydrophobicContact CG-CD 4.38Å; E727-K731 PolarHBondContact O-N 3.33Å; E727-K731 WeakPolarHBondContact OE1-CE 3.36Å; E727-K731 IonicContact OE1-NZ 2.89Å; E727-K731 PolarHBondContact OE1-NZ 2.94Å
728	L	84	Confident	73.1	Confident	98 Å²	98	103.9 Å²	103.9	51%	0.513	48%	0.479	S	S	.	.	H	α-helix	trans	-60.9	-42.4	176.7	-73.5	171.8	0	0	0	111.6	V724 R725 K730 K731 Q732	V724-L728 HydrophobicContact CG1-CD1 3.78Å; V724-L728 HydrophobicContact CG1-CG 4.24Å; V724-L728 WeakPolarHBondContact O-CB 3.35Å; V724-L728 VanDerWaalsContact O-CG 3.29Å; V724-L728 WeakPolarHBondContact O-CG 3.36Å; V724-L728 PolarHBondContact O-N 3.22Å; R725-L728 PolarHBondContact O-N 3.02Å; L728-K730 VanDerWaalsContact C-N 3.34Å; L728-K730 PolarHBondContact O-N 2.95Å; L728-K731 PolarHBondContact O-N 3.37Å; L728-Q732 PolarHBondContact O-N 3.01Å
729	Q	81.9	Confident	71.6	Confident	115 Å²	115	102.7 Å²	102.7	54%	0.537	47%	0.468	S	S	.	.	H	α-helix	trans	-61.2	-39.6	173.5	-73	178.5	-13.2	0	0	112.4	R725 E727 K733	R725-Q729 WeakPolarHBondContact O-CG 3.33Å; R725-Q729 PolarHBondContact O-N 3.4Å; R725-Q729 VanDerWaalsContact O-N 3.09Å; E727-Q729 VanDerWaalsContact C-N 3.35Å; E727-Q729 PolarHBondContact O-N 2.94Å; Q729-K733 WeakPolarHBondContact O-CB 3.41Å; Q729-K733 WeakPolarHBondContact O-CG 3.34Å; Q729-K733 PolarHBondContact O-N 3Å
730	K	79.3	Confident	69.6	Low	153 Å²	153	104.1 Å²	104.1	67%	0.665	47%	0.471	S	S	*	.	H	α-helix	trans	-66.9	-37.4	174.4	-74.6	175.3	-179.9	-176.6	0	112.1	K726 E727 L728 S734	K726-K730 WeakPolarHBondContact O-CG 3.23Å; K726-K730 PolarHBondContact O-N 2.95Å; E727-K730 WeakPolarHBondContact O-CB 3.17Å; E727-K730 PolarHBondContact O-N 2.95Å; E727-K730 VanDerWaalsContact O-N 3.14Å; L728-K730 VanDerWaalsContact C-N 3.34Å; L728-K730 PolarHBondContact O-N 2.95Å; K730-S734 WeakPolarHBondContact O-CB 3.39Å; K730-S734 PolarHBondContact O-N 3.43Å; K730-S734 PolarHBondContact O-OG 3.48Å
731	K	70	Confident	67.4	Low	120 Å²	120	111.5 Å²	111.5	52%	0.522	51%	0.507	S	S	.	.	H	α-helix	trans	-67.6	-42.9	174.9	-77.1	172.4	170.2	169.6	0	112	E727 L728 S734 F735	E727-K731 HydrophobicContact CG-CD 4.38Å; E727-K731 PolarHBondContact O-N 3.33Å; E727-K731 WeakPolarHBondContact OE1-CE 3.36Å; E727-K731 IonicContact OE1-NZ 2.89Å; E727-K731 PolarHBondContact OE1-NZ 2.94Å; L728-K731 PolarHBondContact O-N 3.37Å; K731-S734 CarbonylContact O-C 3.57Å; K731-S734 PolarHBondContact O-N 3.47Å; K731-S734 PolarHBondContact O-OG 2.84Å; K731-F735 WeakPolarHBondContact O-CB 3.49Å; K731-F735 PolarHBondContact O-N 3.17Å
732	Q	60.9	Low	65.4	Low	116 Å²	116	116.9 Å²	116.9	54%	0.542	53%	0.534	S	S	.	.	H	α-helix	trans	-61.2	-50.1	171.7	-77	179.4	-26.6	0	0	111.7	L728 S734 F735 W736	L728-Q732 PolarHBondContact O-N 3.01Å; Q732-S734 PolarHBondContact O-N 3.37Å; Q732-S734 VanDerWaalsContact O-N 3.16Å; Q732-F735 WeakPolarHBondContact O-CB 3.3Å; Q732-F735 PolarHBondContact O-N 3.1Å; Q732-W736 PolarHBondContact O-N 3.23Å
733	K	59	Low	63.4	Low	155 Å²	155	123.3 Å²	123.3	67%	0.674	57%	0.565	S	S	*	*	H	α-helix	trans	-61.3	-25.6	178.5	-72.6	-176.2	178.3	-174.6	0	113.6	Q729 R737	Q729-K733 WeakPolarHBondContact O-CB 3.41Å; Q729-K733 WeakPolarHBondContact O-CG 3.34Å; Q729-K733 PolarHBondContact O-N 3Å; K733-R737 VanDerWaalsContact O-CB 3.22Å; K733-R737 WeakPolarHBondContact O-CB 3.37Å; K733-R737 PolarHBondContact O-N 3.05Å
734	S	57.6	Low	61.4	Low	56 Å²	56	128.9 Å²	128.9	39%	0.392	59%	0.593	S	S	.	*	H	α-helix	trans	-96.3	-0.2	173.9	56.6	0	0	0	0	114.8	K730 K731 Q732 R738	K730-S734 WeakPolarHBondContact O-CB 3.39Å; K730-S734 PolarHBondContact O-N 3.43Å; K730-S734 PolarHBondContact O-OG 3.48Å; K731-S734 CarbonylContact O-C 3.57Å; K731-S734 PolarHBondContact O-N 3.47Å; K731-S734 PolarHBondContact O-OG 2.84Å; Q732-S734 PolarHBondContact O-N 3.37Å; Q732-S734 VanDerWaalsContact O-N 3.16Å; S734-R738 PolarHBondContact O-NE 3.48Å; S734-R738 PolarHBondContact O-NH2 3.31Å
735	F	48.6	Very low	59	Low	113 Å²	113	133.5 Å²	133.5	50%	0.496	61%	0.609	S	S	.	*	H	α-helix	trans	-91	-52.4	165.1	177.8	-98	0	0	0	109.7	K731 Q732 R737 R738 L739	K731-F735 WeakPolarHBondContact O-CB 3.49Å; K731-F735 PolarHBondContact O-N 3.17Å; Q732-F735 WeakPolarHBondContact O-CB 3.3Å; Q732-F735 PolarHBondContact O-N 3.1Å; F735-R737 PolarHBondContact O-N 3.07Å; F735-R738 WeakPolarHBondContact O-CA 3.42Å; F735-R738 VanDerWaalsContact O-CB 3.31Å; F735-R738 WeakPolarHBondContact O-CB 3.48Å; F735-R738 PolarHBondContact O-N 3.21Å; F735-L739 HydrophobicContact CD1-CD1 4.05Å; F735-L739 HydrophobicContact CE1-CD1 3.54Å; F735-L739 HydrophobicContact CZ-CD1 3.9Å; F735-L739 PolarHBondContact O-N 2.81Å
736	W	43.4	Very low	56.7	Low	165 Å²	165	136.6 Å²	136.6	63%	0.625	63%	0.629	S	S	*	*	H	α-helix	trans	-60.7	-42.5	177.2	-64.2	121.6	0	0	0	112.9	Q732 R738 L739 N740	Q732-W736 PolarHBondContact O-N 3.23Å; W736-R738 PolarHBondContact O-N 3.23Å; W736-L739 HydrophobicContact CE3-CD1 3.98Å; W736-L739 HydrophobicContact CZ3-CD1 4.12Å; W736-L739 PolarHBondContact O-N 3.4Å; W736-N740 PolarHBondContact O-N 2.99Å
737	R	45.5	Very low	54.6	Low	208 Å²	208	141.2 Å²	141.2	79%	0.785	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	-14.6	172.7	-167.5	-173.9	-66	-171.9	-4.3	113.8	K733 F735	K733-R737 VanDerWaalsContact O-CB 3.22Å; K733-R737 WeakPolarHBondContact O-CB 3.37Å; K733-R737 PolarHBondContact O-N 3.05Å; F735-R737 PolarHBondContact O-N 3.07Å
738	R	47.4	Very low	52.2	Low	194 Å²	194	139.7 Å²	139.7	73%	0.732	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	-13	173.9	-109	-178.3	-63.6	171.4	1.3	113.9	S734 F735 W736	S734-R738 PolarHBondContact O-NE 3.48Å; S734-R738 PolarHBondContact O-NH2 3.31Å; F735-R738 WeakPolarHBondContact O-CA 3.42Å; F735-R738 VanDerWaalsContact O-CB 3.31Å; F735-R738 WeakPolarHBondContact O-CB 3.48Å; F735-R738 PolarHBondContact O-N 3.21Å; W736-R738 PolarHBondContact O-N 3.23Å
739	L	43.1	Very low	50	Low	93 Å²	93	140.4 Å²	140.4	49%	0.487	66%	0.664	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96	-17.9	178.8	-74.9	166.1	0	0	0	113	F735 W736 M741	F735-L739 HydrophobicContact CD1-CD1 4.05Å; F735-L739 HydrophobicContact CE1-CD1 3.54Å; F735-L739 HydrophobicContact CZ-CD1 3.9Å; F735-L739 PolarHBondContact O-N 2.81Å; W736-L739 HydrophobicContact CE3-CD1 3.98Å; W736-L739 HydrophobicContact CZ3-CD1 4.12Å; W736-L739 PolarHBondContact O-N 3.4Å; L739-M741 VanDerWaalsContact C-N 3.3Å; L739-M741 PolarHBondContact O-N 2.91Å; L739-M741 VanDerWaalsContact O-N 3.17Å
740	N	42.2	Very low	47.7	Very low	120 Å²	120	142.3 Å²	142.3	64%	0.642	68%	0.678	S	S	*	*			trans	52.5	42.2	162.8	-147.4	87.4	0	0	0	114.8	W736	W736-N740 PolarHBondContact O-N 2.99Å
741	M	42.8	Very low	45.7	Very low	164 Å²	164	142.6 Å²	142.6	81%	0.808	68%	0.684	S	S	*	*			trans	-98.8	59.8	172.5	-63.5	-80.8	79.7	0	0	110.5	L739 E743	L739-M741 VanDerWaalsContact C-N 3.3Å; L739-M741 PolarHBondContact O-N 2.91Å; L739-M741 VanDerWaalsContact O-N 3.17Å; M741-E743 PolarHBondContact O-N 3.41Å
742	D	43.9	Very low	44	Very low	151 Å²	151	146.2 Å²	146.2	81%	0.807	70%	0.7	S	S	*	*			trans	-79.5	93.5	156.4	-75.3	-37	0	0	0	107
743	E	45.3	Very low	42.8	Very low	181 Å²	181	149.9 Å²	149.9	85%	0.846	72%	0.717	S	S	*	*	S	Bend	trans	164.7	132.2	150.5	-84.6	-92.2	118.8	0	0	108.5	M741	M741-E743 PolarHBondContact O-N 3.41Å
744	N	46.3	Very low	41.5	Very low	146 Å²	146	149.7 Å²	149.7	78%	0.781	72%	0.723	S	S	*	*			trans	60.2	81	170.8	-161.1	76.9	0	0	0	118.3
745	F	37	Very low	40.1	Very low	150 Å²	150	151.4 Å²	151.4	66%	0.658	73%	0.734	S	S	*	*			trans	-150.7	61.8	159.9	-127.9	-36.9	0	0	0	116.2	E747 S748	F745-E747 HydrophobicContact CD1-CB 4.22Å; F745-E747 HydrophobicContact CE1-CB 4.16Å; F745-E747 PolarHBondContact O-N 3.5Å; F745-S748 WeakPolarHBondContact CD1-OG 3.11Å
746	E	40.5	Very low	39.5	Very low	197 Å²	197	156.8 Å²	156.8	92%	0.921	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	-9.7	161.8	-76.7	-170.2	129.1	0	0	112.9
747	E	40.4	Very low	38.9	Very low	172 Å²	172	157 Å²	157	80%	0.804	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	4.7	-165.7	-131.2	172.3	-170.8	0	0	116.1	F745	F745-E747 HydrophobicContact CD1-CB 4.22Å; F745-E747 HydrophobicContact CE1-CB 4.16Å; F745-E747 PolarHBondContact O-N 3.5Å
748	S	36.6	Very low	38.2	Very low	66 Å²	66	154.5 Å²	154.5	46%	0.462	76%	0.763	S	S	.	*			trans	-108.9	1	-178.6	54.6	0	0	0	0	116.6	F745 N750	F745-S748 WeakPolarHBondContact CD1-OG 3.11Å; S748-N750 PolarHBondContact O-N 3.37Å; S748-N750 VanDerWaalsContact O-N 3.1Å
749	C	39.5	Very low	37.7	Very low	113 Å²	113	155.1 Å²	155.1	76%	0.764	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-9.6	-179.4	-73.3	0	0	0	0	114.6
750	N	32.8	Very low	37.4	Very low	156 Å²	156	158.2 Å²	158.2	83%	0.834	80%	0.804	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	22.4	-172.8	-67.6	-16.7	0	0	0	115.2	S748	S748-N750 PolarHBondContact O-N 3.37Å; S748-N750 VanDerWaalsContact O-N 3.1Å
751	M	36.5	Very low	37.1	Very low	159 Å²	159	160.2 Å²	160.2	78%	0.783	81%	0.812	S	S	*	*	S	Bend	trans	-133	22.3	-175	-155.2	157.5	61.6	0	0	116.2
752	F	34.9	Very low	36.8	Very low	195 Å²	195	160 Å²	160	86%	0.855	81%	0.813	S	S	*	*			trans	-137.6	39.8	167.1	-87.3	-72.3	0	0	0	113.7	L754	F752-L754 PolarHBondContact O-N 3.46Å; F752-L754 VanDerWaalsContact O-N 3.13Å
753	E	35	Very low	36.4	Very low	193 Å²	193	160.5 Å²	160.5	90%	0.902	81%	0.813	S	S	*	*			trans	-66	105.3	153.7	-74.6	-164.2	128.4	0	0	109.1
754	L	31.9	Very low	35.9	Very low	152 Å²	152	159.3 Å²	159.3	80%	0.796	81%	0.811	S	S	*	*			trans	-90.8	116.5	159.8	-76.3	175.4	0	0	0	108.2	F752 Y756	F752-L754 PolarHBondContact O-N 3.46Å; F752-L754 VanDerWaalsContact O-N 3.13Å; L754-Y756 PolarHBondContact O-N 3.03Å
755	S	29.6	Very low	35.2	Very low	91 Å²	91	160.1 Å²	160.1	64%	0.636	81%	0.813	S	S	*	*			trans	-55.2	126.6	-173.1	57.4	0	0	0	0	113	Q757	S755-Q757 PolarHBondContact O-N 3.14Å; S755-Q757 VanDerWaalsContact O-N 3.1Å
756	Y	34.2	Very low	35	Very low	226 Å²	226	160.9 Å²	160.9	89%	0.886	82%	0.824	S	S	*	*			trans	-59.3	110	156	-87.4	-94.8	0	0	0	108.9	L754	L754-Y756 PolarHBondContact O-N 3.03Å
757	Q	31.7	Very low	34.6	Very low	170 Å²	170	158.1 Å²	158.1	79%	0.794	82%	0.816	S	S	*	*			trans	-88.9	107.7	166.6	-72.2	-169.1	-15.2	0	0	109.1	S755 T759	S755-Q757 PolarHBondContact O-N 3.14Å; S755-Q757 VanDerWaalsContact O-N 3.1Å; Q757-T759 PolarHBondContact O-N 3.33Å
758	N	31.7	Very low	34.1	Very low	156 Å²	156	156.9 Å²	156.9	83%	0.834	82%	0.818	S	S	*	*			trans	-75.5	113.4	165.1	-82.4	-32.4	0	0	0	109.7
759	T	35.2	Very low	33.9	Very low	206 Å²	206	165.2 Å²	165.2	100%	1.264	85%	0.85	S	S	*	*			trans	-147.9	0	153.4	54.9	0	0	0	0	109.3	Q757	Q757-T759 PolarHBondContact O-N 3.33Å

Retrieved 759 of 759 residues in 169.1 ms (Link to these results)

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