A0A096MAV0_POEFO Loading...

peptidylamidoglycolate lyase

AlphaFold DB , UniProt , Accession A0A096MAV0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 540 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	59.8	Low	84.1	Confident	192 Å²	192	144.2 Å²	144.2	95%	0.946	69%	0.685	S	S	*	*				0	163.8	0	-58.2	-179.8	177.8	0	0	108.5	N3 M51	M1-N3 VanDerWaalsContact CB-OD1 3.31Å; M1-N3 WeakPolarHBondContact CB-OD1 3.45Å; M1-M51 HydrophobicContact SD-SD 4.08Å
2	C	77	Confident	83.2	Confident	137 Å²	137	141.3 Å²	141.3	93%	0.926	69%	0.692	S	S	*	*			trans	-118.4	88.4	174.3	-170.1	0	0	0	0	108.4
3	N	81.3	Confident	83.3	Confident	80 Å²	80	143.9 Å²	143.9	43%	0.428	70%	0.697	S	S	.	*			trans	-118.8	128.6	-173.3	-58.3	8.8	0	0	0	108.5	M1 Y5	M1-N3 VanDerWaalsContact CB-OD1 3.31Å; M1-N3 WeakPolarHBondContact CB-OD1 3.45Å; N3-Y5 HydrophobicContact CB-CD2 4.37Å; N3-Y5 HydrophobicContact CB-CE2 3.63Å; N3-Y5 PolarHBondContact ND2-OH 3.17Å
4	F	84.8	Confident	83.7	Confident	178 Å²	178	143 Å²	143	78%	0.781	69%	0.691	S	S	*	*			trans	-122.3	108.3	175.3	-175.7	-119.9	0	0	0	109.3	M6	F4-M6 HydrophobicContact CD1-CG 3.58Å; F4-M6 HydrophobicContact CD1-SD 4.02Å; F4-M6 HydrophobicContact CE1-CG 3.34Å; F4-M6 HydrophobicContact CE1-SD 3.75Å; F4-M6 HydrophobicContact CZ-CG 4.2Å; F4-M6 PolarHBondContact O-N 3.27Å
5	Y	88.1	Confident	83.7	Confident	190 Å²	190	137.4 Å²	137.4	75%	0.745	68%	0.677	S	S	*	*			trans	-92	99.3	-175.5	-65	-81.4	0	0	0	110.2	N3	N3-Y5 HydrophobicContact CB-CD2 4.37Å; N3-Y5 HydrophobicContact CB-CE2 3.63Å; N3-Y5 PolarHBondContact ND2-OH 3.17Å
6	M	89.6	Confident	83.9	Confident	139 Å²	139	133 Å²	133	69%	0.685	66%	0.66	S	S	*	*			trans	-85.8	113.7	174.9	-64.4	179.8	69.7	0	0	110.3	F4	F4-M6 HydrophobicContact CD1-CG 3.58Å; F4-M6 HydrophobicContact CD1-SD 4.02Å; F4-M6 HydrophobicContact CE1-CG 3.34Å; F4-M6 HydrophobicContact CE1-SD 3.75Å; F4-M6 HydrophobicContact CZ-CG 4.2Å; F4-M6 PolarHBondContact O-N 3.27Å
7	M	87.6	Confident	83.5	Confident	191 Å²	191	132.5 Å²	132.5	94%	0.941	67%	0.669	S	S	*	*			trans	-78.5	132	164.6	-167	-179.5	-63.7	0	0	109
8	Y	89.6	Confident	83.5	Confident	91 Å²	91	134.1 Å²	134.1	36%	0.357	67%	0.671	S	S	.	*			trans	-140.5	159.2	-178	62.6	-97.4	0	0	0	111.3	M10 V16 F18 M19	Y8-M10 HydrophobicContact CD2-CG 3.96Å; Y8-M10 HydrophobicContact CD2-SD 4.2Å; Y8-M10 HydrophobicContact CE2-CG 4.14Å; Y8-M10 HydrophobicContact CE2-SD 3.82Å; Y8-V16 WeakPolarHBondContact CE2-O 3.15Å; Y8-V16 PolarHBondContact OH-O 3.29Å; Y8-F18 VanDerWaalsContact OH-CA 3.22Å; Y8-F18 WeakPolarHBondContact OH-CA 3.48Å; Y8-F18 PolarHBondContact OH-N 3.17Å; Y8-M19 PolarHBondContact OH-N 3.5Å
9	Y	87.3	Confident	83.9	Confident	216 Å²	216	134.4 Å²	134.4	85%	0.847	67%	0.672	S	S	*	*			trans	-121.1	155.8	170.7	62.4	-92.3	0	0	0	110.2
10	M	89.8	Confident	84.2	Confident	85 Å²	85	133 Å²	133	42%	0.419	68%	0.676	S	S	.	*			trans	-143.2	160.6	-179.6	-65	-179.5	76.5	0	0	109.9	Y8 S12 H14 A15 V16	Y8-M10 HydrophobicContact CD2-CG 3.96Å; Y8-M10 HydrophobicContact CD2-SD 4.2Å; Y8-M10 HydrophobicContact CE2-CG 4.14Å; Y8-M10 HydrophobicContact CE2-SD 3.82Å; M10-S12 PolarHBondContact O-N 3.11Å; M10-H14 VanDerWaalsContact CE-O 3.24Å; M10-H14 WeakPolarHBondContact CE-O 3.46Å; M10-A15 HydrophobicContact CB-CB 3.99Å; M10-V16 HydrophobicContact CE-CG2 4.36Å; M10-V16 HydrophobicContact SD-CG2 3.75Å
11	D	90.6	Very high	84.3	Confident	87 Å²	87	131.8 Å²	131.8	47%	0.465	68%	0.678	S	S	.	*			trans	-56.7	137.1	165.8	169.6	-100.8	0	0	0	110.5	K13 H14 A15	D11-K13 PolarHBondContact O-N 3.06Å; D11-K13 VanDerWaalsContact O-N 3.08Å; D11-K13 WeakPolarHBondContact OD1-CB 3.16Å; D11-K13 PolarHBondContact OD1-N 3.29Å; D11-K13 VanDerWaalsContact OD1-N 3.11Å; D11-H14 CarbonylContact O-C 3.56Å; D11-H14 PolarHBondContact O-N 3.24Å; D11-H14 IonicContact OD1-CE1 2.76Å; D11-H14 IonicContact OD1-CG 3.83Å; D11-H14 IonicContact OD1-ND1 2.7Å; D11-H14 PolarHBondContact OD1-ND1 3.17Å; D11-A15 PolarHBondContact O-N 2.95Å
12	S	73.4	Confident	85.7	Confident	109 Å²	109	131 Å²	131	76%	0.762	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	-15.2	-168.2	59.8	0	0	0	0	114.7	M10 H14	M10-S12 PolarHBondContact O-N 3.11Å; S12-H14 VanDerWaalsContact C-N 3.34Å
13	K	83.5	Confident	86	Confident	176 Å²	176	132.5 Å²	132.5	77%	0.765	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	-13.8	174.3	-55.8	168	-176	166.7	0	112.8	D11	D11-K13 PolarHBondContact O-N 3.06Å; D11-K13 VanDerWaalsContact O-N 3.08Å; D11-K13 WeakPolarHBondContact OD1-CB 3.16Å; D11-K13 PolarHBondContact OD1-N 3.29Å; D11-K13 VanDerWaalsContact OD1-N 3.11Å
14	H	89	Confident	85.8	Confident	131 Å²	131	135.5 Å²	135.5	61%	0.606	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.2	-0.8	-172.1	-54.2	94.3	0	0	0	113.1	M10 D11 S12 V16	M10-H14 VanDerWaalsContact CE-O 3.24Å; M10-H14 WeakPolarHBondContact CE-O 3.46Å; D11-H14 CarbonylContact O-C 3.56Å; D11-H14 PolarHBondContact O-N 3.24Å; D11-H14 IonicContact OD1-CE1 2.76Å; D11-H14 IonicContact OD1-CG 3.83Å; D11-H14 IonicContact OD1-ND1 2.7Å; D11-H14 PolarHBondContact OD1-ND1 3.17Å; S12-H14 VanDerWaalsContact C-N 3.34Å; H14-V16 PolarHBondContact O-N 3.12Å
15	A	83.7	Confident	85.4	Confident	59 Å²	59	128.8 Å²	128.8	49%	0.488	67%	0.67	S	S	.	*			trans	-66.5	121.5	-174.4	0	0	0	0	0	112.9	M10 D11	M10-A15 HydrophobicContact CB-CB 3.99Å; D11-A15 PolarHBondContact O-N 2.95Å
16	V	86.7	Confident	85.2	Confident	67 Å²	67	123.4 Å²	123.4	41%	0.406	66%	0.66	S	S	.	*			trans	-99.4	132.5	168.1	-77.4	0	0	0	0	110.1	Y8 M10 H14 F18 M19	Y8-V16 WeakPolarHBondContact CE2-O 3.15Å; Y8-V16 PolarHBondContact OH-O 3.29Å; M10-V16 HydrophobicContact CE-CG2 4.36Å; M10-V16 HydrophobicContact SD-CG2 3.75Å; H14-V16 PolarHBondContact O-N 3.12Å; V16-F18 VanDerWaalsContact C-N 3.31Å; V16-F18 PolarHBondContact O-N 3.16Å; V16-M19 HydrophobicContact CG2-CG 3.67Å; V16-M19 HydrophobicContact CG2-SD 3.73Å
17	P	77.9	Confident	84.9	Confident	124 Å²	124	125.6 Å²	125.6	81%	0.805	67%	0.666	S	S	*	*	S	Bend	trans	-74.8	-17.1	-169.8	29.7	-36.3	0	0	0	114.3
18	F	84.1	Confident	84.9	Confident	162 Å²	162	121 Å²	121	71%	0.711	64%	0.642	S	S	*	*			trans	-154.3	155.5	169.3	61.3	-89.1	0	0	0	109.9	Y8 V16	Y8-F18 VanDerWaalsContact OH-CA 3.22Å; Y8-F18 WeakPolarHBondContact OH-CA 3.48Å; Y8-F18 PolarHBondContact OH-N 3.17Å; V16-F18 VanDerWaalsContact C-N 3.31Å; V16-F18 PolarHBondContact O-N 3.16Å
19	M	90.1	Very high	84.6	Confident	140 Å²	140	122.1 Å²	122.1	69%	0.69	65%	0.653	S	S	*	*			trans	-137.8	149.9	169	-67.4	-178.8	68.5	0	0	108.2	Y8 V16	Y8-M19 PolarHBondContact OH-N 3.5Å; V16-M19 HydrophobicContact CG2-CG 3.67Å; V16-M19 HydrophobicContact CG2-SD 3.73Å
20	S	89.7	Confident	84.6	Confident	106 Å²	106	117.3 Å²	117.3	74%	0.741	64%	0.637	S	S	*	*			trans	-135	142.9	176.7	55.1	0	0	0	0	110.7
21	C	86.9	Confident	84.5	Confident	107 Å²	107	121.8 Å²	121.8	72%	0.723	65%	0.649	S	S	*	*			trans	-120.8	122.1	169.2	-173	0	0	0	0	108.1
22	M	88.1	Confident	84.5	Confident	176 Å²	176	124.4 Å²	124.4	87%	0.867	66%	0.659	S	S	*	*			trans	-116.3	2.8	175.4	-59.2	-59.2	-62.2	0	0	111.7
23	E	84	Confident	85.2	Confident	169 Å²	169	122.5 Å²	122.5	79%	0.79	64%	0.639	S	S	*	*	S	Bend	trans	-86.2	141.1	179.4	-65.5	-176.2	-172.2	0	0	110.5	G25	E23-G25 PolarHBondContact O-N 3.46Å
24	T	76.6	Confident	85.6	Confident	143 Å²	143	117.5 Å²	117.5	88%	0.877	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-77.1	121.2	172.1	44.1	0	0	0	0	109.6
25	G	76.8	Confident	85.5	Confident	37 Å²	37	115 Å²	115	38%	0.381	63%	0.626	S	S	.	*	P	Polyproline II helix	trans	-57.2	159.3	176.9	0	0	0	0	0	112.7	E23 K27	E23-G25 PolarHBondContact O-N 3.46Å; G25-K27 PolarHBondContact O-N 2.99Å
26	S	84.4	Confident	85.6	Confident	77 Å²	77	118.7 Å²	118.7	54%	0.538	63%	0.634	S	S	.	*	P	Polyproline II helix	trans	-59.7	140.5	-173.5	75.6	0	0	0	0	111.9	E28 L29 F30	S26-E28 PolarHBondContact O-N 3.19Å; S26-L29 WeakPolarHBondContact O-CB 3.35Å; S26-L29 PolarHBondContact O-N 3.08Å; S26-L29 PolarHBondContact OG-N 2.92Å; S26-F30 WeakPolarHBondContact O-CD2 3.38Å
27	K	83.7	Confident	85.5	Confident	184 Å²	184	118.5 Å²	118.5	80%	0.8	64%	0.639	S	S	*	*	H	α-helix	trans	-59	-23.6	179.7	-66	-175.5	178.5	-178.6	0	113	G25 R31	G25-K27 PolarHBondContact O-N 2.99Å; K27-R31 WeakPolarHBondContact O-CG 3.45Å; K27-R31 PolarHBondContact O-N 3.18Å
28	E	87.4	Confident	85.9	Confident	95 Å²	95	117.9 Å²	117.9	44%	0.444	63%	0.629	S	S	.	*	H	α-helix	trans	-76	-30.1	177.6	-149	60.1	-138.2	0	0	113.3	S26 R31 H32	S26-E28 PolarHBondContact O-N 3.19Å; E28-R31 VanDerWaalsContact CD-NH1 3.26Å; E28-R31 WeakPolarHBondContact OE1-CD 3.33Å; E28-R31 IonicContact OE1-CZ 3.86Å; E28-R31 IonicContact OE1-NH1 3.64Å; E28-R31 PolarHBondContact OE1-NH1 3.31Å; E28-R31 IonicContact OE2-CZ 4Å; E28-R31 IonicContact OE2-NE 3.54Å; E28-R31 IonicContact OE2-NH1 3.05Å; E28-R31 PolarHBondContact OE2-NH1 3.25Å; E28-H32 PolarHBondContact O-ND1 3.14Å; E28-H32 IonicContact OE1-CE1 3.53Å
29	L	82.4	Confident	86.1	Confident	114 Å²	114	115 Å²	115	60%	0.597	62%	0.624	S	S	*	*	H	α-helix	trans	-64.9	-48.1	174	-178.1	66.6	0	0	0	110.5	S26 R31 H32 I33	S26-L29 WeakPolarHBondContact O-CB 3.35Å; S26-L29 PolarHBondContact O-N 3.08Å; S26-L29 PolarHBondContact OG-N 2.92Å; L29-R31 VanDerWaalsContact C-N 3.29Å; L29-R31 PolarHBondContact O-N 3.29Å; L29-H32 CarbonylContact O-C 3.1Å; L29-H32 PolarHBondContact O-N 3.4Å; L29-H32 VanDerWaalsContact O-N 3.12Å; L29-I33 PolarHBondContact O-N 3.3Å
30	F	86.9	Confident	85.5	Confident	116 Å²	116	114 Å²	114	51%	0.509	63%	0.629	S	S	.	*	H	α-helix	trans	-69.8	-21.2	-178.7	-68.1	-72.7	0	0	0	114.2	S26 H32 I33	S26-F30 WeakPolarHBondContact O-CD2 3.38Å; F30-H32 PolarHBondContact O-N 3.12Å; F30-I33 HydrophobicContact CD1-CD1 4.34Å; F30-I33 WeakPolarHBondContact O-CG2 3.48Å
31	R	89	Confident	85.1	Confident	178 Å²	178	116.4 Å²	116.4	67%	0.672	63%	0.631	S	S	*	*	H	α-helix	trans	-66.9	-25.5	170.3	-79.6	174.2	174	170.9	3.3	113.7	K27 E28 L29	K27-R31 WeakPolarHBondContact O-CG 3.45Å; K27-R31 PolarHBondContact O-N 3.18Å; E28-R31 VanDerWaalsContact CD-NH1 3.26Å; E28-R31 WeakPolarHBondContact OE1-CD 3.33Å; E28-R31 IonicContact OE1-CZ 3.86Å; E28-R31 IonicContact OE1-NH1 3.64Å; E28-R31 PolarHBondContact OE1-NH1 3.31Å; E28-R31 IonicContact OE2-CZ 4Å; E28-R31 IonicContact OE2-NE 3.54Å; E28-R31 IonicContact OE2-NH1 3.05Å; E28-R31 PolarHBondContact OE2-NH1 3.25Å; L29-R31 VanDerWaalsContact C-N 3.29Å; L29-R31 PolarHBondContact O-N 3.29Å
32	H	89.3	Confident	84.4	Confident	142 Å²	142	116.2 Å²	116.2	66%	0.657	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.1	22.6	-176.1	-58.2	93.8	0	0	0	111.6	E28 L29 F30	E28-H32 PolarHBondContact O-ND1 3.14Å; E28-H32 IonicContact OE1-CE1 3.53Å; L29-H32 CarbonylContact O-C 3.1Å; L29-H32 PolarHBondContact O-N 3.4Å; L29-H32 VanDerWaalsContact O-N 3.12Å; F30-H32 PolarHBondContact O-N 3.12Å
33	I	89.3	Confident	82.9	Confident	69 Å²	69	111.8 Å²	111.8	35%	0.354	62%	0.62	S	S	.	*			trans	-66.2	139.4	175.1	-161.3	171.6	0	0	0	109.8	L29 F30 A37	L29-I33 PolarHBondContact O-N 3.3Å; F30-I33 HydrophobicContact CD1-CD1 4.34Å; F30-I33 WeakPolarHBondContact O-CG2 3.48Å; I33-A37 HydrophobicContact CD1-CB 3.74Å; I33-A37 HydrophobicContact CG1-CB 3.84Å
34	P	90.7	Very high	81	Confident	71 Å²	71	107.7 Å²	107.7	46%	0.461	61%	0.61	S	S	.	*			trans	-56	145.1	175.9	-27.2	36.1	0	0	0	112.8	E36 A37	P34-E36 VanDerWaalsContact C-N 3.29Å; P34-E36 HydrophobicContact CB-CG 4.4Å; P34-E36 WeakPolarHBondContact CB-OE1 3.45Å; P34-E36 WeakPolarHBondContact CB-OE2 3.37Å; P34-E36 PolarHBondContact O-N 3.12Å; P34-A37 WeakPolarHBondContact O-CB 3.04Å; P34-A37 PolarHBondContact O-N 3.35Å; P34-A37 VanDerWaalsContact O-N 3.14Å
35	A	87.5	Confident	79.5	Confident	78 Å²	78	106.9 Å²	106.9	65%	0.645	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-63.9	-34.9	-169.7	0	0	0	0	0	112.6	A37 N38	A35-A37 PolarHBondContact O-N 3.35Å; A35-N38 PolarHBondContact O-N 3.45Å
36	E	87.3	Confident	77.9	Confident	138 Å²	138	108.5 Å²	108.5	65%	0.645	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-59	-28	176.9	66.3	-84.6	-159.7	0	0	113.4	P34 N38 V39	P34-E36 VanDerWaalsContact C-N 3.29Å; P34-E36 HydrophobicContact CB-CG 4.4Å; P34-E36 WeakPolarHBondContact CB-OE1 3.45Å; P34-E36 WeakPolarHBondContact CB-OE2 3.37Å; P34-E36 PolarHBondContact O-N 3.12Å; E36-N38 PolarHBondContact O-N 3.38Å; E36-N38 VanDerWaalsContact O-N 3.12Å; E36-V39 PolarHBondContact O-N 2.92Å; E36-V39 VanDerWaalsContact O-N 3.11Å
37	A	83.4	Confident	75.9	Confident	63 Å²	63	111.7 Å²	111.7	52%	0.521	63%	0.63	S	S	.	*	G	3₁₀ helix	trans	-67.3	-10.9	176.5	0	0	0	0	0	113.5	I33 P34 A35	I33-A37 HydrophobicContact CD1-CB 3.74Å; I33-A37 HydrophobicContact CG1-CB 3.84Å; P34-A37 WeakPolarHBondContact O-CB 3.04Å; P34-A37 PolarHBondContact O-N 3.35Å; P34-A37 VanDerWaalsContact O-N 3.14Å; A35-A37 PolarHBondContact O-N 3.35Å
38	N	86.6	Confident	73.6	Confident	111 Å²	111	109.7 Å²	109.7	59%	0.594	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-107.2	1.7	177.3	-57.6	-85.3	0	0	0	112.8	A35 E36 P40	A35-N38 PolarHBondContact O-N 3.45Å; E36-N38 PolarHBondContact O-N 3.38Å; E36-N38 VanDerWaalsContact O-N 3.12Å; N38-P40 WeakPolarHBondContact O-CD 3.37Å
39	V	87.3	Confident	71.5	Confident	100 Å²	100	113.6 Å²	113.6	61%	0.606	64%	0.644	S	S	*	*	S	Bend	trans	-83.9	120.7	-179.6	177.9	0	0	0	0	109.7	E36 I41	E36-V39 PolarHBondContact O-N 2.92Å; E36-V39 VanDerWaalsContact O-N 3.11Å; V39-I41 PolarHBondContact O-N 3.05Å
40	P	78.6	Confident	69.2	Low	120 Å²	120	112.7 Å²	112.7	78%	0.779	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-67.4	128.1	-179.4	-21	33.6	0	0	0	112.5	N38 A42	N38-P40 WeakPolarHBondContact O-CD 3.37Å; P40-A42 PolarHBondContact O-N 2.67Å
41	I	80.5	Confident	66.6	Low	156 Å²	156	114.1 Å²	114.1	80%	0.8	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-81.8	116.1	169.6	-57.7	176.5	0	0	0	108.1	V39 V43	V39-I41 PolarHBondContact O-N 3.05Å; I41-V43 PolarHBondContact O-N 2.88Å
42	A	73.1	Confident	63.9	Low	103 Å²	103	114.2 Å²	114.2	85%	0.851	67%	0.673	S	S	*	*			trans	-74.1	109.6	178.6	0	0	0	0	0	110.9	P40	P40-A42 PolarHBondContact O-N 2.67Å
43	V	55.9	Low	61.2	Low	83 Å²	83	113.1 Å²	113.1	50%	0.503	68%	0.678	S	S	.	*			trans	-92.1	129.2	179.2	-144.8	0	0	0	0	110.4	I41 H47 M48	I41-V43 PolarHBondContact O-N 2.88Å; V43-H47 HydrophobicContact CG1-CB 3.71Å; V43-M48 HydrophobicContact CB-SD 4.37Å; V43-M48 HydrophobicContact CG2-SD 4.19Å
44	S	44.7	Very low	58.5	Low	83 Å²	83	119 Å²	119	58%	0.58	71%	0.706	S	S	*	*			trans	-70.3	148.3	171	-72.5	0	0	0	0	110.9	G46 H47	S44-G46 PolarHBondContact O-N 3.15Å; S44-H47 PolarHBondContact O-N 3.06Å
45	P	44.8	Very low	55.5	Low	126 Å²	126	118.7 Å²	118.7	82%	0.818	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-56.1	-23.2	-166.5	-29.9	36.5	0	0	0	117	H47	P45-H47 VanDerWaalsContact C-N 3.27Å; P45-H47 PolarHBondContact O-N 3.18Å
46	G	44.2	Very low	52.6	Low	71 Å²	71	123.6 Å²	123.6	73%	0.732	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-74.1	-0.4	179.5	0	0	0	0	0	116.6	S44	S44-G46 PolarHBondContact O-N 3.15Å
47	H	41.3	Very low	50	Low	144 Å²	144	121.4 Å²	121.4	67%	0.667	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-119.6	15.1	-172.6	-68.1	100	0	0	0	114.8	V43 S44 P45	V43-H47 HydrophobicContact CG1-CB 3.71Å; S44-H47 PolarHBondContact O-N 3.06Å; P45-H47 VanDerWaalsContact C-N 3.27Å; P45-H47 PolarHBondContact O-N 3.18Å
48	M	35.3	Very low	47.4	Very low	142 Å²	142	125.1 Å²	125.1	70%	0.7	75%	0.753	S	S	*	*			trans	-102.3	74.1	-175.4	-72.8	-75.8	-76.7	0	0	112.6	V43 A50	V43-M48 HydrophobicContact CB-SD 4.37Å; V43-M48 HydrophobicContact CG2-SD 4.19Å; M48-A50 PolarHBondContact O-N 3.31Å
49	H	43.4	Very low	44.7	Very low	178 Å²	178	127 Å²	127	82%	0.824	76%	0.764	S	S	*	*			trans	-73.2	108.9	171.5	-71.4	-75.6	0	0	0	111.5
50	A	34.3	Very low	41.9	Very low	94 Å²	94	127.9 Å²	127.9	78%	0.777	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-88	125.2	172	0	0	0	0	0	111.4	M48 M52	M48-A50 PolarHBondContact O-N 3.31Å; A50-M52 PolarHBondContact O-N 3.11Å
51	M	32.1	Very low	39.6	Very low	147 Å²	147	129.4 Å²	129.4	72%	0.724	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-74.6	119.7	167	-73	-179.5	168.2	0	0	110.2	M1	M1-M51 HydrophobicContact SD-SD 4.08Å
52	M	33.3	Very low	37.3	Very low	180 Å²	180	130.9 Å²	130.9	89%	0.887	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-68.4	135.8	175.2	-73.1	-70.3	-163.7	0	0	112.1	A50	A50-M52 PolarHBondContact O-N 3.11Å
53	P	32.6	Very low	35	Very low	118 Å²	118	131.8 Å²	131.8	77%	0.766	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-90.9	158.3	166.8	36.1	-32.9	0	0	0	112.3
54	M	30.8	Very low	33.9	Very low	192 Å²	192	136.6 Å²	136.6	95%	0.946	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-80.7	116.1	178.9	-75.5	-85.1	-78.3	0	0	113
55	G	29.4	Very low	33.2	Very low	66 Å²	66	140.9 Å²	140.9	68%	0.68	80%	0.799	S	S	*	*			trans	63.6	104.5	140.8	0	0	0	0	0	120.9
56	N	25.5	Very low	32.8	Very low	180 Å²	180	138.2 Å²	138.2	96%	0.963	79%	0.794	S	S	*	*				-169.8	163.9	112.7	-100.3	-25.4	0	0	0	111.4
57	A	33.6	Very low	32.1	Very low	92 Å²	92	142.7 Å²	142.7	76%	0.76	80%	0.801	S	S	*	*			trans	-99.3	151	-163.3	0	0	0	0	0	115.8
58	T	27.7	Very low	31.9	Very low	141 Å²	141	146.1 Å²	146.1	87%	0.865	81%	0.814	S	S	*	*			trans	-167.9	164.5	138.3	21.8	0	0	0	0	110.8
59	D	30.5	Very low	31.8	Very low	151 Å²	151	143.8 Å²	143.8	81%	0.807	82%	0.817	S	S	*	*			trans	-60	166.8	174.7	-53.9	-81.6	0	0	0	112.9
60	D	28.8	Very low	31.7	Very low	118 Å²	118	142.8 Å²	142.8	63%	0.631	81%	0.812	S	S	*	*			cis	-168.3	165	39.6	-166.5	11.2	0	0	0	113.8
61	K	30.2	Very low	31.9	Very low	152 Å²	152	141.3 Å²	141.3	66%	0.661	80%	0.795	S	S	*	*			trans	39.2	117.6	160.6	-81	160.4	-159.2	75.6	0	123.5
62	Q	31.2	Very low	32.6	Very low	188 Å²	188	138.9 Å²	138.9	88%	0.879	79%	0.788	S	S	*	*				48.9	118.2	124.9	-66.5	-176.9	-32.6	0	0	121.6
63	S	26.5	Very low	33.3	Very low	122 Å²	122	132.2 Å²	132.2	85%	0.853	76%	0.756	S	S	*	*				-151.3	145.5	126.6	-171.8	0	0	0	0	110.5
64	M	31.8	Very low	34.2	Very low	184 Å²	184	130.3 Å²	130.3	91%	0.906	74%	0.74	S	S	*	*			trans	-97	131.9	170.4	-78.7	-166.2	179.1	0	0	110.2
65	N	29.6	Very low	35	Very low	173 Å²	173	129.4 Å²	129.4	93%	0.925	73%	0.733	S	S	*	*			trans	-153.2	137.4	135.9	-132.2	-18.9	0	0	0	111
66	G	36.9	Very low	36.3	Very low	69 Å²	69	133.6 Å²	133.6	71%	0.711	74%	0.74	S	S	*	*			trans	-97.5	111.5	-171.3	0	0	0	0	0	113
67	N	28.7	Very low	38.8	Very low	165 Å²	165	125.9 Å²	125.9	88%	0.882	70%	0.7	S	S	*	*			trans	-113.1	137.6	154.9	-84.7	-30.8	0	0	0	108.3	A69	N67-A69 PolarHBondContact O-N 3.11Å; N67-A69 VanDerWaalsContact O-N 3.08Å
68	K	36.9	Very low	41.6	Very low	217 Å²	217	125.8 Å²	125.8	94%	0.943	68%	0.683	S	S	*	*			trans	-72.6	100.9	176.7	-70.7	-176.9	178.1	-178.7	0	109.3
69	A	34.1	Very low	44.8	Very low	92 Å²	92	119.1 Å²	119.1	76%	0.76	64%	0.643	S	S	*	*			trans	-69.5	150.1	161.1	0	0	0	0	0	109.8	N67	N67-A69 PolarHBondContact O-N 3.11Å; N67-A69 VanDerWaalsContact O-N 3.08Å
70	E	41.5	Very low	47.9	Very low	157 Å²	157	116.9 Å²	116.9	73%	0.734	63%	0.627	S	S	*	*			trans	-64.3	149.4	165.3	-65.6	-172	151.1	0	0	110	V72	E70-V72 VanDerWaalsContact C-N 3.31Å; E70-V72 PolarHBondContact O-N 3.21Å
71	P	38.8	Very low	51.1	Low	64 Å²	64	112.3 Å²	112.3	42%	0.416	60%	0.602	S	S	.	*			trans	-73.8	83.9	-176.9	30.4	-34.3	0	0	0	111	L73 D372	P71-L73 PolarHBondContact O-N 2.85Å; P71-D372 WeakPolarHBondContact CG-O 3.45Å
72	V	45.6	Very low	54.2	Low	96 Å²	96	106.1 Å²	106.1	58%	0.582	58%	0.577	S	S	*	*			trans	-59.9	124.4	164.3	-179.3	0	0	0	0	108.2	E70 D74	E70-V72 VanDerWaalsContact C-N 3.31Å; E70-V72 PolarHBondContact O-N 3.21Å; V72-D74 PolarHBondContact O-N 2.84Å; V72-D74 VanDerWaalsContact O-N 3.08Å
73	L	49.4	Very low	57.1	Low	40 Å²	40	100.3 Å²	100.3	21%	0.209	56%	0.557	C	S	.	*			trans	-62.2	110.1	166.8	-78.6	162.1	0	0	0	108	P71 S77 L79 L323 F325 V342 A390	P71-L73 PolarHBondContact O-N 2.85Å; L73-S77 WeakPolarHBondContact CA-OG 3.32Å; L73-S77 WeakPolarHBondContact CD2-OG 3.42Å; L73-L79 HydrophobicContact CD2-CD2 4.46Å; L73-L323 HydrophobicContact CB-CD1 4.27Å; L73-L323 HydrophobicContact CD1-CD1 3.84Å; L73-F325 HydrophobicContact CD1-CE1 3.96Å; L73-F325 HydrophobicContact CD1-CZ 3.75Å; L73-V342 HydrophobicContact CD1-CG1 4.46Å; L73-A390 HydrophobicContact CD2-CB 3.8Å
74	D	51.2	Low	60.3	Low	78 Å²	78	97.9 Å²	97.9	42%	0.417	54%	0.544	S	S	.	.			trans	-67.2	152.8	173.6	-159.2	-5.9	0	0	0	109.5	V72 D76 S77 K392	V72-D74 PolarHBondContact O-N 2.84Å; V72-D74 VanDerWaalsContact O-N 3.08Å; D74-D76 PolarHBondContact O-N 2.6Å; D74-D76 VanDerWaalsContact O-N 3.11Å; D74-S77 PolarHBondContact N-OG 3.47Å; D74-S77 WeakPolarHBondContact O-CB 3.3Å; D74-S77 PolarHBondContact O-N 3.26Å; D74-S77 PolarHBondContact O-OG 3.45Å; D74-K392 IonicContact OD2-NZ 2.85Å; D74-K392 PolarHBondContact OD2-NZ 3.03Å
75	Q	48.2	Very low	63.3	Low	172 Å²	172	89.6 Å²	89.6	80%	0.804	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-20.5	-176.6	-71.2	-169.9	-40.5	0	0	113
76	D	55.8	Low	66.5	Low	155 Å²	155	83.3 Å²	83.3	83%	0.829	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	15	173.2	-62.7	-38	0	0	0	113.8	D74	D74-D76 PolarHBondContact O-N 2.6Å; D74-D76 VanDerWaalsContact O-N 3.11Å
77	S	77.4	Confident	69.1	Low	18 Å²	18	87.1 Å²	87.1	13%	0.126	47%	0.471	C	S	.	.			trans	-106.2	100	-175.5	64.5	0	0	0	0	114.7	L73 D74	L73-S77 WeakPolarHBondContact CA-OG 3.32Å; L73-S77 WeakPolarHBondContact CD2-OG 3.42Å; D74-S77 PolarHBondContact N-OG 3.47Å; D74-S77 WeakPolarHBondContact O-CB 3.3Å; D74-S77 PolarHBondContact O-N 3.26Å; D74-S77 PolarHBondContact O-OG 3.45Å
78	H	92.5	Very high	72.1	Confident	89 Å²	89	82.4 Å²	82.4	41%	0.412	45%	0.451	S	S	.	.			trans	-77.8	145.6	175.1	-177.9	53.7	0	0	0	112.9	D352 S353 A390	H78-D352 IonicContact CE1-OD1 3.98Å; H78-D352 IonicContact CG-OD1 3.58Å; H78-D352 VanDerWaalsContact ND1-CG 3.35Å; H78-D352 IonicContact ND1-OD1 2.69Å; H78-D352 PolarHBondContact ND1-OD1 3.02Å; H78-D352 IonicContact ND1-OD2 3.35Å; H78-D352 PolarHBondContact ND1-OD2 3.47Å; H78-S353 PolarHBondContact CE1-O 3.06Å; H78-A390 WeakPolarHBondContact O-CA 3.38Å
79	L	95.4	Very high	74.7	Confident	2 Å²	2	76.3 Å²	76.3	1%	0.01	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	105.8	174.3	-74.3	175.3	0	0	0	112.8	L73 F325 V342 D352 F354 V375 F388	L73-L79 HydrophobicContact CD2-CD2 4.46Å; L79-F325 HydrophobicContact CD1-CD1 4.37Å; L79-F325 HydrophobicContact CD1-CE1 4.11Å; L79-V342 HydrophobicContact CD1-CG2 3.69Å; L79-D352 PolarHBondContact N-OD2 3.35Å; L79-F354 HydrophobicContact CB-CB 3.99Å; L79-F354 HydrophobicContact CB-CD1 3.99Å; L79-F354 HydrophobicContact CB-CG 3.94Å; L79-F354 HydrophobicContact CD1-CD1 3.63Å; L79-F354 HydrophobicContact CD1-CE1 3.53Å; L79-F354 HydrophobicContact CD1-CG 4.29Å; L79-F354 HydrophobicContact CD1-CZ 4.1Å; L79-F354 HydrophobicContact CG-CD1 4.43Å; L79-F354 VanDerWaalsContact O-CB 3.32Å; L79-F354 WeakPolarHBondContact O-CB 3.14Å; L79-V375 HydrophobicContact CD1-CB 4.49Å; L79-V375 HydrophobicContact CD1-CG2 3.92Å; L79-V375 HydrophobicContact CD2-CG2 4.35Å; L79-F388 HydrophobicContact CB-CB 4.28Å
80	E	95.3	Very high	77.5	Confident	104 Å²	104	72.6 Å²	72.6	49%	0.486	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	147.8	177.4	-62.4	-165.7	143.6	0	0	112.7	V82 F388 T389	E80-V82 PolarHBondContact O-N 3.01Å; E80-F388 CarbonylContact O-C 3.59Å; E80-F388 WeakPolarHBondContact O-CA 3.48Å; E80-T389 PolarHBondContact N-O 3.17Å; E80-T389 PolarHBondContact O-N 2.84Å
81	Q	95.9	Very high	79.9	Confident	22 Å²	22	72.4 Å²	72.4	10%	0.103	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	125.9	176.8	-168.3	-157.3	-26.5	0	0	111.3	S83 P356 T357 K387 F388	Q81-S83 VanDerWaalsContact C-N 3.28Å; Q81-S83 PolarHBondContact O-N 3.19Å; Q81-P356 HydrophobicContact CG-CB 4.21Å; Q81-P356 VanDerWaalsContact OE1-CB 3.28Å; Q81-T357 PolarHBondContact OE1-OG1 3.05Å; Q81-K387 WeakPolarHBondContact CA-O 3.39Å; Q81-F388 HydrophobicContact CB-CD1 4.01Å; Q81-F388 HydrophobicContact CB-CE1 3.84Å; Q81-F388 HydrophobicContact CG-CE1 4.18Å
82	V	95.9	Very high	82.7	Confident	22 Å²	22	70.4 Å²	70.4	13%	0.133	39%	0.388	C	S	.	.			trans	-76.2	81.9	168.2	-173.4	0	0	0	0	108.9	E80 A84 W85 K387 T389	E80-V82 PolarHBondContact O-N 3.01Å; V82-A84 PolarHBondContact O-N 3.31Å; V82-A84 VanDerWaalsContact O-N 3.14Å; V82-W85 HydrophobicContact CB-CB 4.34Å; V82-W85 HydrophobicContact CG1-CB 3.91Å; V82-W85 PolarHBondContact O-N 2.94Å; V82-K387 HydrophobicContact CB-CB 4.24Å; V82-K387 HydrophobicContact CB-CD 4.22Å; V82-K387 HydrophobicContact CB-CG 4.16Å; V82-K387 HydrophobicContact CG2-CD 4.14Å; V82-K387 HydrophobicContact CG2-CG 4.03Å; V82-K387 PolarHBondContact N-O 2.9Å; V82-T389 HydrophobicContact CG2-CG2 3.72Å; V82-T389 VanDerWaalsContact CG2-OG1 3.3Å; V82-T389 WeakPolarHBondContact CG2-OG1 3.05Å
83	S	92.3	Very high	85.2	Confident	65 Å²	65	66 Å²	66	46%	0.455	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-18.5	-174.7	54	0	0	0	0	115.5	Q81 W85	Q81-S83 VanDerWaalsContact C-N 3.28Å; Q81-S83 PolarHBondContact O-N 3.19Å; S83-W85 VanDerWaalsContact C-N 3.32Å
84	A	93.3	Very high	87.6	Confident	71 Å²	71	64.6 Å²	64.6	59%	0.587	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	4.1	174.5	0	0	0	0	0	113.9	V82 Q87	V82-A84 PolarHBondContact O-N 3.31Å; V82-A84 VanDerWaalsContact O-N 3.14Å; A84-Q87 WeakPolarHBondContact O-CG 3.46Å
85	W	95.2	Very high	89.8	Confident	10 Å²	10	60.9 Å²	60.9	4%	0.038	33%	0.334	C	S	.	.			trans	-117.6	136.1	178.3	-172.8	101.2	0	0	0	110.8	V82 S83 L106 V143 D144 P145 G148 F376 V385 K387	V82-W85 HydrophobicContact CB-CB 4.34Å; V82-W85 HydrophobicContact CG1-CB 3.91Å; V82-W85 PolarHBondContact O-N 2.94Å; S83-W85 VanDerWaalsContact C-N 3.32Å; W85-L106 HydrophobicContact CH2-CD2 3.62Å; W85-L106 HydrophobicContact CZ2-CD2 3.99Å; W85-V143 HydrophobicContact CZ2-CG1 4.16Å; W85-D144 PolarHBondContact NE1-O 3.4Å; W85-P145 PolarHBondContact NE1-O 2.81Å; W85-G148 VanDerWaalsContact NE1-N 3.17Å; W85-F376 HydrophobicContact CD2-CE1 4.34Å; W85-F376 AromaticContact CE2-CE1 3.88Å; W85-F376 HydrophobicContact CE3-CE1 4.47Å; W85-F376 AromaticContact CH2-CD1 3.83Å; W85-F376 HydrophobicContact CH2-CD1 3.83Å; W85-F376 AromaticContact CH2-CE1 3.83Å; W85-F376 HydrophobicContact CH2-CE1 3.83Å; W85-F376 HydrophobicContact CZ2-CD1 4.12Å; W85-F376 AromaticContact CZ2-CE1 3.62Å; W85-F376 HydrophobicContact CZ2-CE1 3.62Å; W85-F376 HydrophobicContact CZ3-CD1 4.1Å; W85-F376 HydrophobicContact CZ3-CE1 4.25Å; W85-V385 HydrophobicContact CH2-CB 4.21Å; W85-V385 HydrophobicContact CH2-CG1 3.96Å; W85-V385 HydrophobicContact CZ3-CB 4.04Å; W85-V385 HydrophobicContact CZ3-CG1 3.88Å; W85-K387 HydrophobicContact CB-CB 4.3Å; W85-K387 HydrophobicContact CB-CD 4.34Å; W85-K387 HydrophobicContact CD2-CB 3.78Å; W85-K387 HydrophobicContact CD2-CD 4.19Å; W85-K387 HydrophobicContact CE3-CB 3.5Å; W85-K387 HydrophobicContact CG-CB 4.13Å; W85-K387 HydrophobicContact CG-CD 3.96Å; W85-K387 HydrophobicContact CZ3-CB 4.15Å
86	P	95.5	Very high	92.2	Very high	41 Å²	41	52.8 Å²	52.8	27%	0.266	30%	0.296	S	S	.	.	S	Bend	cis	-75.5	148.8	-6.7	33.5	-35.9	0	0	0	111.4	S88 L90	P86-S88 PolarHBondContact O-N 2.81Å; P86-L90 HydrophobicContact CB-CD1 4.35Å; P86-L90 HydrophobicContact CB-CG 4.42Å; P86-L90 HydrophobicContact CG-CD1 4.2Å; P86-L90 HydrophobicContact CG-CG 4.33Å
87	Q	93.3	Very high	94.3	Very high	149 Å²	149	45.4 Å²	45.4	70%	0.696	26%	0.257	S	S	*	.	S	Bend	trans	-68.9	-16.8	179.5	-66.5	-179.7	-11.8	0	0	113.2	A84 N147	A84-Q87 WeakPolarHBondContact O-CG 3.46Å; Q87-N147 WeakPolarHBondContact CB-O 3.36Å; Q87-N147 HydrophobicContact CG-CB 4.32Å; Q87-N147 WeakPolarHBondContact CG-O 3.43Å; Q87-N147 PolarHBondContact N-O 3.44Å
88	S	90.9	Very high	95.3	Very high	66 Å²	66	44.7 Å²	44.7	46%	0.462	25%	0.252	S	S	.	.	S	Bend	trans	-137.2	145.4	176.6	58.5	0	0	0	0	110.5	P86 L90	P86-S88 PolarHBondContact O-N 2.81Å; S88-L90 PolarHBondContact O-N 3.11Å
89	S	91.4	Very high	95.6	Very high	89 Å²	89	40.7 Å²	40.7	62%	0.622	23%	0.234	S	C	*	.			trans	-62.7	127.9	177	-177.9	0	0	0	0	111.9	Q91	S89-Q91 VanDerWaalsContact C-N 3.31Å; S89-Q91 PolarHBondContact O-N 3.01Å; S89-Q91 PolarHBondContact OG-NE2 3.2Å
90	L	92.1	Very high	95.7	Very high	14 Å²	14	42.3 Å²	42.3	7%	0.073	24%	0.242	C	C	.	.			trans	-79.7	-6.2	-179.7	-71.8	169.3	0	0	0	114.3	P86 S88 L92 I108 V143 G148 I150	P86-L90 HydrophobicContact CB-CD1 4.35Å; P86-L90 HydrophobicContact CB-CG 4.42Å; P86-L90 HydrophobicContact CG-CD1 4.2Å; P86-L90 HydrophobicContact CG-CG 4.33Å; S88-L90 PolarHBondContact O-N 3.11Å; L90-L92 HydrophobicContact CB-CD1 3.88Å; L90-L92 HydrophobicContact CB-CD2 3.96Å; L90-L92 HydrophobicContact CB-CG 3.65Å; L90-L92 HydrophobicContact CD1-CD1 4.13Å; L90-L92 PolarHBondContact O-N 3.24Å; L90-I108 HydrophobicContact CD1-CD1 3.79Å; L90-V143 HydrophobicContact CD2-CG1 4.18Å; L90-V143 HydrophobicContact CD2-CG2 4.02Å; L90-G148 WeakPolarHBondContact CD2-O 3.34Å; L90-I150 HydrophobicContact CD2-CD1 4.18Å; L90-I150 HydrophobicContact CD2-CG1 3.65Å
91	Q	93.4	Very high	95.8	Very high	154 Å²	154	38.4 Å²	38.4	72%	0.72	23%	0.225	S	C	*	.			trans	51.6	48.8	178.4	-56.4	-62.7	-18	0	0	113.9	S89	S89-Q91 VanDerWaalsContact C-N 3.31Å; S89-Q91 PolarHBondContact O-N 3.01Å; S89-Q91 PolarHBondContact OG-NE2 3.2Å
92	L	97.5	Very high	95.7	Very high	22 Å²	22	39.8 Å²	39.8	12%	0.115	24%	0.237	C	C	.	.			trans	-84.3	153.8	-171.9	-58	172.1	0	0	0	113.2	L90 V95 I108 L141 N383 V385	L90-L92 HydrophobicContact CB-CD1 3.88Å; L90-L92 HydrophobicContact CB-CD2 3.96Å; L90-L92 HydrophobicContact CB-CG 3.65Å; L90-L92 HydrophobicContact CD1-CD1 4.13Å; L90-L92 PolarHBondContact O-N 3.24Å; L92-V95 HydrophobicContact CB-CG2 4.09Å; L92-V95 HydrophobicContact CD1-CG2 3.61Å; L92-V95 HydrophobicContact CG-CG2 4.39Å; L92-I108 HydrophobicContact CD1-CD1 4.42Å; L92-I108 HydrophobicContact CD1-CG2 4.38Å; L92-I108 HydrophobicContact CD2-CG2 4.24Å; L92-L141 HydrophobicContact CD2-CD1 3.64Å; L92-N383 PolarHBondContact O-ND2 2.83Å; L92-V385 HydrophobicContact CD1-CG2 4Å
93	G	98.1	Very high	95.6	Very high	3 Å²	3	44.7 Å²	44.7	3%	0.031	26%	0.262	C	S	.	.	S	Bend	trans	-79.6	-159.3	159.9	0	0	0	0	0	111.3	V95 H110 G112 N383	G93-V95 PolarHBondContact O-N 3.03Å; G93-V95 VanDerWaalsContact O-N 3.1Å; G93-H110 PolarHBondContact N-ND1 3.5Å; G93-G112 WeakPolarHBondContact CA-O 3.4Å; G93-N383 WeakPolarHBondContact O-CA 3.44Å; G93-N383 WeakPolarHBondContact O-CB 3.28Å
94	Q	98.5	Very high	95.7	Very high	11 Å²	11	42.5 Å²	42.5	5%	0.051	25%	0.247	C	C	.	.			trans	-59.4	118.3	166	-57.9	-165.8	-76.1	0	0	108.8	S96 H110 R111 W116 A380 N383	Q94-S96 PolarHBondContact O-N 2.87Å; Q94-H110 CarbonylContact O-C 3.47Å; Q94-H110 VanDerWaalsContact O-CA 3.24Å; Q94-H110 WeakPolarHBondContact O-CA 3.43Å; Q94-H110 WeakPolarHBondContact O-CB 3.28Å; Q94-R111 HydrophobicContact CB-CB 4.28Å; Q94-R111 HydrophobicContact CB-CG 4.14Å; Q94-R111 PolarHBondContact O-N 3.03Å; Q94-W116 VanDerWaalsContact OE1-N 3.08Å; Q94-A380 HydrophobicContact CB-CB 4.26Å; Q94-A380 WeakPolarHBondContact CG-O 2.96Å; Q94-A380 PolarHBondContact NE2-O 3.11Å; Q94-N383 WeakPolarHBondContact CA-OD1 3.45Å; Q94-N383 PolarHBondContact N-OD1 2.79Å
95	V	98.7	Very high	95.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	111.5	175.4	-178	0	0	0	0	107.9	L92 G93 L98 I108 A380 V385	L92-V95 HydrophobicContact CB-CG2 4.09Å; L92-V95 HydrophobicContact CD1-CG2 3.61Å; L92-V95 HydrophobicContact CG-CG2 4.39Å; G93-V95 PolarHBondContact O-N 3.03Å; G93-V95 VanDerWaalsContact O-N 3.1Å; V95-L98 HydrophobicContact CG1-CD2 4.01Å; V95-I108 HydrophobicContact CG1-CG2 3.87Å; V95-I108 HydrophobicContact CG2-CG2 4.38Å; V95-A380 WeakPolarHBondContact O-CB 3.49Å; V95-V385 HydrophobicContact CG1-CG2 4.08Å; V95-V385 HydrophobicContact CG2-CG2 4.12Å
96	S	98.6	Very high	96.1	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.007	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	-23.1	-171.5	64.8	0	0	0	0	113.7	Q94 F109 P162 H163 H365	Q94-S96 PolarHBondContact O-N 2.87Å; S96-F109 PolarHBondContact N-O 3.25Å; S96-F109 PolarHBondContact OG-O 3.25Å; S96-P162 VanDerWaalsContact CB-O 3.29Å; S96-P162 WeakPolarHBondContact CB-O 3.3Å; S96-P162 VanDerWaalsContact OG-C 3.28Å; S96-P162 WeakPolarHBondContact OG-CB 3.32Å; S96-P162 PolarHBondContact OG-O 2.85Å; S96-H163 CarbonylContact C-O 3.54Å; S96-H163 VanDerWaalsContact CB-O 3.29Å; S96-H163 WeakPolarHBondContact CB-O 3.41Å; S96-H163 VanDerWaalsContact O-O 3.12Å; S96-H163 PolarHBondContact OG-O 3.15Å; S96-H365 PolarHBondContact O-CE1 2.84Å; S96-H365 VanDerWaalsContact O-CE1 3.26Å; S96-H365 PolarHBondContact O-ND1 2.73Å
97	G	98.8	Very high	96.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	152.3	178.5	0	0	0	0	0	112.4	F109 H163 I165 D366	G97-F109 PolarHBondContact N-O 2.78Å; G97-F109 PolarHBondContact O-N 3.5Å; G97-H163 PolarHBondContact N-O 2.8Å; G97-I165 VanDerWaalsContact C-CG2 3.43Å; G97-D366 WeakPolarHBondContact CA-OD2 3.29Å
98	L	98.9	Very high	96.5	Very high	3 Å²	3	31 Å²	31	2%	0.016	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	139.5	173.2	-65.5	-175.1	0	0	0	110.1	V95 L106 V107 I108 D366 V368 F376 G378 V385	V95-L98 HydrophobicContact CG1-CD2 4.01Å; L98-L106 HydrophobicContact CB-CD1 4.47Å; L98-L106 HydrophobicContact CD1-CD1 4.34Å; L98-L106 HydrophobicContact CD2-CD1 4.19Å; L98-V107 CarbonylContact C-O 3.55Å; L98-V107 WeakPolarHBondContact CA-O 3.3Å; L98-I108 HydrophobicContact CD2-CB 4.21Å; L98-I108 HydrophobicContact CD2-CG1 3.95Å; L98-I108 HydrophobicContact CD2-CG2 4.07Å; L98-D366 HydrophobicContact CB-CB 4.47Å; L98-D366 HydrophobicContact CG-CB 4.48Å; L98-D366 PolarHBondContact N-OD2 2.77Å; L98-V368 HydrophobicContact CB-CG1 3.91Å; L98-V368 HydrophobicContact CB-CG2 3.94Å; L98-V368 HydrophobicContact CD1-CG2 4.23Å; L98-V368 WeakPolarHBondContact O-CG1 3.31Å; L98-F376 HydrophobicContact CD1-CB 4Å; L98-G378 VanDerWaalsContact CD1-N 3.29Å; L98-V385 HydrophobicContact CD1-CG1 4.16Å; L98-V385 HydrophobicContact CD2-CG1 4.48Å; L98-V385 HydrophobicContact CD2-CG2 4.12Å
99	A	98.7	Very high	96.9	Very high	5 Å²	5	27.9 Å²	27.9	4%	0.041	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	179.2	168.6	0	0	0	0	0	110.5	V107 I165 T167	A99-V107 HydrophobicContact CB-CB 4.08Å; A99-V107 PolarHBondContact N-O 3.45Å; A99-V107 PolarHBondContact O-N 3.08Å; A99-I165 HydrophobicContact CB-CG1 4.28Å; A99-I165 HydrophobicContact CB-CG2 4.09Å; A99-T167 WeakPolarHBondContact CB-OG1 3.31Å
100	L	98.2	Very high	97.2	Very high	36 Å²	36	23.9 Å²	23.9	19%	0.188	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	148.9	171.4	-63.3	173	0	0	0	109.2	N105 L106 T167 V368 V369 A370	L100-N105 WeakPolarHBondContact CA-O 3.44Å; L100-L106 HydrophobicContact CD2-CD1 4.31Å; L100-T167 WeakPolarHBondContact O-CB 3.47Å; L100-T167 PolarHBondContact O-OG1 3Å; L100-V368 HydrophobicContact CD1-CB 4.44Å; L100-V368 HydrophobicContact CD2-CG2 4.15Å; L100-V368 HydrophobicContact CG-CB 4.26Å; L100-V368 HydrophobicContact CG-CG2 4.16Å; L100-V369 VanDerWaalsContact CD1-O 3.23Å; L100-V369 WeakPolarHBondContact CD1-O 3.47Å; L100-A370 HydrophobicContact CD1-CB 3.88Å; L100-A370 HydrophobicContact CD2-CB 4.38Å
101	D	96.5	Very high	97.6	Very high	23 Å²	23	23.4 Å²	23.4	12%	0.123	13%	0.126	C	C	.	.			trans	-91.1	178	169.3	70.6	13.5	0	0	0	112.3	D103 S104 N105 V107	D101-D103 PolarHBondContact O-N 2.63Å; D101-D103 VanDerWaalsContact O-N 3.11Å; D101-D103 WeakPolarHBondContact OD1-CA 3.46Å; D101-D103 PolarHBondContact OD1-N 3.2Å; D101-S104 PolarHBondContact O-N 3.1Å; D101-S104 PolarHBondContact OD1-N 2.92Å; D101-N105 PolarHBondContact N-O 2.95Å; D101-N105 PolarHBondContact OD1-N 2.89Å; D101-N105 PolarHBondContact OD1-ND2 3.3Å; D101-N105 WeakPolarHBondContact OD2-CB 3.44Å; D101-N105 PolarHBondContact OD2-ND2 2.9Å; D101-V107 HydrophobicContact CB-CG2 4.39Å
102	S	94.7	Very high	97.8	Very high	51 Å²	51	16.5 Å²	16.5	36%	0.357	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-35.5	177.1	58.3	0	0	0	0	113.2	S104 N171 K371	S102-S104 VanDerWaalsContact C-N 3.28Å; S102-N171 PolarHBondContact N-OD1 2.96Å; S102-N171 PolarHBondContact OG-ND2 2.91Å; S102-K371 PolarHBondContact O-NZ 3.01Å
103	D	93.6	Very high	97.7	Very high	124 Å²	124	20.3 Å²	20.3	66%	0.663	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-1.1	-172.8	-58.1	2.1	0	0	0	110.9	D101 N105	D101-D103 PolarHBondContact O-N 2.63Å; D101-D103 VanDerWaalsContact O-N 3.11Å; D101-D103 WeakPolarHBondContact OD1-CA 3.46Å; D101-D103 PolarHBondContact OD1-N 3.2Å; D103-N105 VanDerWaalsContact C-N 3.33Å
104	S	94.6	Very high	97.7	Very high	19 Å²	19	21.2 Å²	21.2	13%	0.133	12%	0.12	C	C	.	.			trans	66.9	26.1	-177.1	-42.1	0	0	0	0	114.4	D101 S102 K371	D101-S104 PolarHBondContact O-N 3.1Å; D101-S104 PolarHBondContact OD1-N 2.92Å; S102-S104 VanDerWaalsContact C-N 3.28Å; S104-K371 VanDerWaalsContact OG-CD 3.28Å; S104-K371 WeakPolarHBondContact OG-CD 3.49Å; S104-K371 WeakPolarHBondContact OG-CE 3.31Å
105	N	97.4	Very high	97.6	Very high	31 Å²	31	25.9 Å²	25.9	17%	0.166	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-68.7	149.2	163.3	-52.4	-66.7	0	0	0	109.8	L100 D101 D103 V142 L151	L100-N105 WeakPolarHBondContact CA-O 3.44Å; D101-N105 PolarHBondContact N-O 2.95Å; D101-N105 PolarHBondContact OD1-N 2.89Å; D101-N105 PolarHBondContact OD1-ND2 3.3Å; D101-N105 WeakPolarHBondContact OD2-CB 3.44Å; D101-N105 PolarHBondContact OD2-ND2 2.9Å; D103-N105 VanDerWaalsContact C-N 3.33Å; N105-V142 HydrophobicContact CB-CG1 3.54Å; N105-L151 HydrophobicContact CB-CD1 4.28Å; N105-L151 VanDerWaalsContact OD1-CD1 3.3Å; N105-L151 WeakPolarHBondContact OD1-CD1 3.41Å
106	L	98.6	Very high	97.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	123.7	177.5	-179.6	70.4	0	0	0	110.1	W85 L98 L100 I108 V142 V143 V368 F376 V385	W85-L106 HydrophobicContact CH2-CD2 3.62Å; W85-L106 HydrophobicContact CZ2-CD2 3.99Å; L98-L106 HydrophobicContact CB-CD1 4.47Å; L98-L106 HydrophobicContact CD1-CD1 4.34Å; L98-L106 HydrophobicContact CD2-CD1 4.19Å; L100-L106 HydrophobicContact CD2-CD1 4.31Å; L106-I108 HydrophobicContact CD2-CD1 3.9Å; L106-I108 HydrophobicContact CD2-CG1 3.77Å; L106-I108 HydrophobicContact CG-CG1 3.9Å; L106-V142 CarbonylContact O-C 3.55Å; L106-V142 WeakPolarHBondContact O-CA 3.28Å; L106-V143 HydrophobicContact CB-CB 4.37Å; L106-V143 PolarHBondContact N-O 2.71Å; L106-V143 PolarHBondContact O-N 3.29Å; L106-V368 HydrophobicContact CD1-CG2 3.77Å; L106-F376 HydrophobicContact CD1-CB 3.86Å; L106-F376 HydrophobicContact CD1-CD1 4.34Å; L106-F376 HydrophobicContact CD1-CD2 4.11Å; L106-F376 HydrophobicContact CD1-CG 3.86Å; L106-F376 HydrophobicContact CD2-CB 4.49Å; L106-F376 HydrophobicContact CD2-CD1 3.84Å; L106-F376 HydrophobicContact CD2-CE1 4.26Å; L106-F376 HydrophobicContact CD2-CG 4.21Å; L106-V385 HydrophobicContact CD2-CG1 4.02Å
107	V	98.7	Very high	97.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	125.1	169.6	-170.3	0	0	0	0	108	L98 A99 D101 I140 L141 V142 I165 Y173	L98-V107 CarbonylContact C-O 3.55Å; L98-V107 WeakPolarHBondContact CA-O 3.3Å; A99-V107 HydrophobicContact CB-CB 4.08Å; A99-V107 PolarHBondContact N-O 3.45Å; A99-V107 PolarHBondContact O-N 3.08Å; D101-V107 HydrophobicContact CB-CG2 4.39Å; V107-I140 HydrophobicContact CG1-CG2 3.78Å; V107-L141 CarbonylContact C-O 3.52Å; V107-L141 WeakPolarHBondContact CA-O 3.1Å; V107-V142 HydrophobicContact CG2-CG2 4.42Å; V107-I165 HydrophobicContact CG1-CD1 3.79Å; V107-Y173 HydrophobicContact CG1-CD1 4.1Å; V107-Y173 HydrophobicContact CG1-CE1 3.84Å; V107-Y173 HydrophobicContact CG2-CE1 4.1Å
108	I	98.9	Very high	97	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	128.5	-179.1	-52	176.6	0	0	0	108.8	L90 L92 V95 L98 L106 I140 L141 V143 V385	L90-I108 HydrophobicContact CD1-CD1 3.79Å; L92-I108 HydrophobicContact CD1-CD1 4.42Å; L92-I108 HydrophobicContact CD1-CG2 4.38Å; L92-I108 HydrophobicContact CD2-CG2 4.24Å; V95-I108 HydrophobicContact CG1-CG2 3.87Å; V95-I108 HydrophobicContact CG2-CG2 4.38Å; L98-I108 HydrophobicContact CD2-CB 4.21Å; L98-I108 HydrophobicContact CD2-CG1 3.95Å; L98-I108 HydrophobicContact CD2-CG2 4.07Å; L106-I108 HydrophobicContact CD2-CD1 3.9Å; L106-I108 HydrophobicContact CD2-CG1 3.77Å; L106-I108 HydrophobicContact CG-CG1 3.9Å; I108-I140 WeakPolarHBondContact O-CA 3.33Å; I108-L141 HydrophobicContact CB-CB 4.49Å; I108-L141 PolarHBondContact N-O 3.35Å; I108-L141 PolarHBondContact O-N 2.67Å; I108-V143 HydrophobicContact CD1-CB 4.36Å; I108-V143 HydrophobicContact CD1-CG2 3.72Å; I108-V143 HydrophobicContact CG1-CG2 4.28Å; I108-V385 HydrophobicContact CD1-CG2 3.98Å; I108-V385 HydrophobicContact CG1-CG2 4.44Å; I108-V385 HydrophobicContact CG2-CG2 4.33Å
109	F	98.9	Very high	96.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	121.5	170.5	-165.7	-151.9	0	0	0	109.8	S96 G97 T139 I140 F159 P162 H163 I165 V175	S96-F109 PolarHBondContact N-O 3.25Å; S96-F109 PolarHBondContact OG-O 3.25Å; G97-F109 PolarHBondContact N-O 2.78Å; G97-F109 PolarHBondContact O-N 3.5Å; F109-T139 WeakPolarHBondContact CA-O 3.41Å; F109-I140 HydrophobicContact CD2-CD1 4.46Å; F109-I140 HydrophobicContact CD2-CG1 3.59Å; F109-I140 HydrophobicContact CE2-CD1 4.37Å; F109-I140 HydrophobicContact CE2-CG1 3.86Å; F109-F159 HydrophobicContact CE2-CD1 4.44Å; F109-F159 AromaticContact CE2-CD2 3.74Å; F109-F159 HydrophobicContact CE2-CD2 3.74Å; F109-F159 HydrophobicContact CE2-CE1 4.44Å; F109-F159 AromaticContact CE2-CE2 3.71Å; F109-F159 HydrophobicContact CE2-CE2 3.71Å; F109-F159 HydrophobicContact CE2-CG 4.09Å; F109-F159 HydrophobicContact CE2-CZ 4.08Å; F109-F159 AromaticContact CZ-CD1 3.96Å; F109-F159 HydrophobicContact CZ-CD1 3.96Å; F109-F159 HydrophobicContact CZ-CD2 4.09Å; F109-F159 HydrophobicContact CZ-CE1 4.01Å; F109-F159 HydrophobicContact CZ-CE2 4.1Å; F109-F159 AromaticContact CZ-CG 4Å; F109-F159 HydrophobicContact CZ-CG 4Å; F109-F159 HydrophobicContact CZ-CZ 4.06Å; F109-P162 HydrophobicContact CD1-CB 3.87Å; F109-P162 HydrophobicContact CD2-CB 4.01Å; F109-P162 HydrophobicContact CD2-CG 4.31Å; F109-P162 HydrophobicContact CE1-CB 3.57Å; F109-P162 HydrophobicContact CE1-CG 4.35Å; F109-P162 HydrophobicContact CE2-CB 3.72Å; F109-P162 HydrophobicContact CE2-CG 3.73Å; F109-P162 HydrophobicContact CG-CB 4.08Å; F109-P162 HydrophobicContact CZ-CB 3.5Å; F109-P162 HydrophobicContact CZ-CG 3.76Å; F109-H163 WeakPolarHBondContact CD1-O 3.23Å; F109-I165 HydrophobicContact CB-CB 3.95Å; F109-I165 HydrophobicContact CB-CD1 3.97Å; F109-I165 HydrophobicContact CB-CG2 3.74Å; F109-I165 HydrophobicContact CD1-CB 4.02Å; F109-I165 HydrophobicContact CG-CB 4.31Å; F109-I165 HydrophobicContact CG-CD1 4.31Å; F109-V175 HydrophobicContact CD1-CB 4.43Å; F109-V175 HydrophobicContact CD1-CG1 4.03Å; F109-V175 HydrophobicContact CE1-CB 3.67Å; F109-V175 HydrophobicContact CE1-CG1 3.7Å; F109-V175 HydrophobicContact CE2-CG1 4.41Å; F109-V175 HydrophobicContact CZ-CB 3.88Å; F109-V175 HydrophobicContact CZ-CG1 3.91Å; F109-V175 HydrophobicContact CZ-CG2 4.45Å
110	H	98.8	Very high	96.8	Very high	5 Å²	5	39 Å²	39	2%	0.023	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	152.6	-177	70.7	98.4	0	0	0	113.6	G93 Q94 G112 S138 T139	G93-H110 PolarHBondContact N-ND1 3.5Å; Q94-H110 CarbonylContact O-C 3.47Å; Q94-H110 VanDerWaalsContact O-CA 3.24Å; Q94-H110 WeakPolarHBondContact O-CA 3.43Å; Q94-H110 WeakPolarHBondContact O-CB 3.28Å; H110-G112 PolarHBondContact ND1-N 2.89Å; H110-G112 PolarHBondContact O-N 3.28Å; H110-G112 VanDerWaalsContact O-N 3.13Å; H110-S138 PolarHBondContact CE1-O 2.94Å; H110-S138 VanDerWaalsContact CE1-O 3.29Å; H110-S138 PolarHBondContact NE2-O 3.33Å; H110-T139 PolarHBondContact CD2-O 2.92Å; H110-T139 PolarHBondContact N-O 3.29Å; H110-T139 WeakPolarHBondContact O-CB 3.15Å
111	R	98.7	Very high	96.8	Very high	3 Å²	3	38.7 Å²	38.7	1%	0.011	22%	0.224	C	C	.	.			trans	-76.4	7.6	-175.3	-56	-173	179.9	129.1	11.2	115.2	Q94 D113 H114 I135 P162 H365	Q94-R111 HydrophobicContact CB-CB 4.28Å; Q94-R111 HydrophobicContact CB-CG 4.14Å; Q94-R111 PolarHBondContact O-N 3.03Å; R111-D113 PolarHBondContact O-N 2.69Å; R111-H114 VanDerWaalsContact CB-O 3.28Å; R111-H114 WeakPolarHBondContact CB-O 3.46Å; R111-H114 WeakPolarHBondContact O-CA 3.4Å; R111-H114 WeakPolarHBondContact O-CB 3.42Å; R111-H114 PolarHBondContact O-N 2.6Å; R111-I135 VanDerWaalsContact O-CD1 3.3Å; R111-I135 WeakPolarHBondContact O-CD1 3.41Å; R111-P162 HydrophobicContact CG-CB 4.04Å; R111-P162 HydrophobicContact CG-CG 4.33Å; R111-P162 PolarHBondContact NE-O 3.1Å; R111-P162 PolarHBondContact NH2-O 2.91Å; R111-P162 VanDerWaalsContact NH2-O 3.13Å; R111-H365 PolarHBondContact NH2-NE2 3.4Å
112	G	97.8	Very high	96.8	Very high	10 Å²	10	40.1 Å²	40.1	10%	0.103	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	-124.1	-175.9	0	0	0	0	0	113	G93 H110 Q137	G93-G112 WeakPolarHBondContact CA-O 3.4Å; H110-G112 PolarHBondContact ND1-N 2.89Å; H110-G112 PolarHBondContact O-N 3.28Å; H110-G112 VanDerWaalsContact O-N 3.13Å; G112-Q137 VanDerWaalsContact CA-OE1 3.28Å
113	D	97.1	Very high	96.9	Very high	102 Å²	102	43.4 Å²	43.4	55%	0.545	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-7.1	172.1	43.2	0.9	0	0	0	114.6	R111 Q137	R111-D113 PolarHBondContact O-N 2.69Å; D113-Q137 PolarHBondContact OD1-NE2 2.97Å; D113-Q137 PolarHBondContact OD2-NE2 3.13Å
114	H	98.1	Very high	97	Very high	21 Å²	21	43.2 Å²	43.2	10%	0.097	25%	0.249	C	C	.	.			trans	-79.2	148	173.3	-71.9	-152.3	0	0	0	111.4	R111 G133 I135 Y160 L161	R111-H114 VanDerWaalsContact CB-O 3.28Å; R111-H114 WeakPolarHBondContact CB-O 3.46Å; R111-H114 WeakPolarHBondContact O-CA 3.4Å; R111-H114 WeakPolarHBondContact O-CB 3.42Å; R111-H114 PolarHBondContact O-N 2.6Å; H114-G133 PolarHBondContact CE1-O 2.79Å; H114-G133 VanDerWaalsContact CE1-O 3.26Å; H114-I135 HydrophobicContact CB-CD1 4.2Å; H114-I135 HydrophobicContact CB-CG1 3.93Å; H114-I135 VanDerWaalsContact CG-CG1 3.47Å; H114-Y160 PolarHBondContact ND1-O 2.9Å; H114-L161 HydrophobicContact CB-CD2 4.31Å
115	H	96.5	Very high	97.2	Very high	109 Å²	109	42.9 Å²	42.9	51%	0.505	25%	0.248	S	C	.	.			trans	-132.6	136.1	-179.4	-176.2	77.6	0	0	0	110	G117 S120	H115-G117 PolarHBondContact O-N 3.18Å; H115-S120 PolarHBondContact O-OG 2.75Å
116	W	97.1	Very high	97.2	Very high	54 Å²	54	47.5 Å²	47.5	21%	0.205	26%	0.263	C	S	.	.			trans	-82.7	95.1	169.8	-169.4	-10.5	0	0	0	109.3	Q94 F121 L161 H163 V178 Y232	Q94-W116 VanDerWaalsContact OE1-N 3.08Å; W116-F121 AromaticContact CD1-CE2 3.99Å; W116-F121 HydrophobicContact CD2-CE2 4.31Å; W116-F121 AromaticContact CE2-CD2 3.98Å; W116-F121 AromaticContact CE2-CE2 3.59Å; W116-F121 HydrophobicContact CZ2-CD2 4.27Å; W116-F121 AromaticContact CZ2-CE2 3.86Å; W116-F121 HydrophobicContact CZ2-CE2 3.86Å; W116-F121 AromaticContact NE1-CD2 3.42Å; W116-F121 AromaticContact NE1-CE2 3.43Å; W116-L161 HydrophobicContact CB-CD1 4.18Å; W116-L161 HydrophobicContact CB-CD2 4.2Å; W116-L161 HydrophobicContact CD2-CD1 4.42Å; W116-L161 HydrophobicContact CG-CD1 4.05Å; W116-H163 AromaticContact CZ3-CD2 3.99Å; W116-V178 HydrophobicContact CD2-CG2 4.38Å; W116-V178 HydrophobicContact CE3-CG2 3.89Å; W116-V178 HydrophobicContact CH2-CB 4.14Å; W116-V178 HydrophobicContact CH2-CG1 4.06Å; W116-V178 HydrophobicContact CH2-CG2 3.93Å; W116-V178 HydrophobicContact CZ2-CG2 4.44Å; W116-V178 HydrophobicContact CZ3-CB 4.23Å; W116-V178 HydrophobicContact CZ3-CG1 4Å; W116-V178 HydrophobicContact CZ3-CG2 3.66Å; W116-Y232 AromaticContact CH2-CD1 3.8Å; W116-Y232 HydrophobicContact CH2-CD1 3.8Å; W116-Y232 AromaticContact CH2-CD2 3.62Å; W116-Y232 HydrophobicContact CH2-CD2 3.62Å; W116-Y232 AromaticContact CH2-CE1 3.61Å; W116-Y232 HydrophobicContact CH2-CE1 3.61Å; W116-Y232 AromaticContact CH2-CE2 3.41Å; W116-Y232 HydrophobicContact CH2-CE2 3.41Å; W116-Y232 VanDerWaalsContact CH2-CE2 3.41Å; W116-Y232 AromaticContact CH2-CG 3.78Å; W116-Y232 HydrophobicContact CH2-CG 3.78Å; W116-Y232 AromaticContact CH2-CZ 3.38Å; W116-Y232 HydrophobicContact CZ2-CD1 4.29Å; W116-Y232 HydrophobicContact CZ2-CE1 4.27Å; W116-Y232 HydrophobicContact CZ2-CG 4.48Å; W116-Y232 HydrophobicContact CZ3-CD2 4.22Å; W116-Y232 HydrophobicContact CZ3-CE1 4.07Å; W116-Y232 AromaticContact CZ3-CE2 3.56Å; W116-Y232 HydrophobicContact CZ3-CE2 3.56Å; W116-Y232 AromaticContact CZ3-CZ 3.45Å; W116-Y232 VanDerWaalsContact CZ3-CZ 3.45Å; W116-Y232 WeakPolarHBondContact CZ3-OH 3.32Å
117	G	92.6	Very high	97.2	Very high	16 Å²	16	48.3 Å²	48.3	17%	0.165	27%	0.266	C	S	.	.			trans	-101.9	176.6	176.2	0	0	0	0	0	113.6	H115 D119 S120	H115-G117 PolarHBondContact O-N 3.18Å; G117-D119 PolarHBondContact O-N 2.77Å; G117-S120 PolarHBondContact N-OG 2.87Å; G117-S120 WeakPolarHBondContact O-CB 3.31Å; G117-S120 PolarHBondContact O-N 3.29Å; G117-S120 PolarHBondContact O-OG 3.42Å
118	A	92.8	Very high	97.2	Very high	113 Å²	113	53 Å²	53	93%	0.934	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-12.1	176.7	0	0	0	0	0	113.9
119	D	94.8	Very high	97.1	Very high	101 Å²	101	54.6 Å²	54.6	54%	0.54	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-8.8	178	69.8	-51	0	0	0	113.4	G117 F121 Q129	G117-D119 PolarHBondContact O-N 2.77Å; D119-F121 PolarHBondContact O-N 3.23Å; D119-Q129 VanDerWaalsContact CG-NE2 3.32Å; D119-Q129 PolarHBondContact OD1-NE2 3.5Å; D119-Q129 PolarHBondContact OD2-NE2 3.11Å
120	S	97.9	Very high	97	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.321	C	S	.	.	S	Bend	trans	-62.5	-28.9	-178.3	-58.6	0	0	0	0	113	H115 G117 Y127 Q128	H115-S120 PolarHBondContact O-OG 2.75Å; G117-S120 PolarHBondContact N-OG 2.87Å; G117-S120 WeakPolarHBondContact O-CB 3.31Å; G117-S120 PolarHBondContact O-N 3.29Å; G117-S120 PolarHBondContact O-OG 3.42Å; S120-Y127 CarbonylContact O-C 3.55Å; S120-Y127 WeakPolarHBondContact O-CA 3.46Å; S120-Y127 WeakPolarHBondContact O-CD2 3.06Å; S120-Q128 PolarHBondContact O-N 2.86Å
121	F	98.4	Very high	96.9	Very high	31 Å²	31	66.6 Å²	66.6	14%	0.136	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-134.4	151.4	-175.6	-64.9	-85.5	0	0	0	112.6	W116 D119 A125 R126 Y127 L161 V178 A179 Q213	W116-F121 AromaticContact CD1-CE2 3.99Å; W116-F121 HydrophobicContact CD2-CE2 4.31Å; W116-F121 AromaticContact CE2-CD2 3.98Å; W116-F121 AromaticContact CE2-CE2 3.59Å; W116-F121 HydrophobicContact CZ2-CD2 4.27Å; W116-F121 AromaticContact CZ2-CE2 3.86Å; W116-F121 HydrophobicContact CZ2-CE2 3.86Å; W116-F121 AromaticContact NE1-CD2 3.42Å; W116-F121 AromaticContact NE1-CE2 3.43Å; D119-F121 PolarHBondContact O-N 3.23Å; F121-A125 VanDerWaalsContact CD1-O 3.22Å; F121-A125 WeakPolarHBondContact CD1-O 3.23Å; F121-R126 WeakPolarHBondContact CA-O 3.45Å; F121-Y127 HydrophobicContact CE1-CD2 4.13Å; F121-Y127 HydrophobicContact CE2-CD2 4.43Å; F121-Y127 HydrophobicContact CZ-CD2 4.07Å; F121-L161 HydrophobicContact CE2-CD1 3.54Å; F121-L161 HydrophobicContact CZ-CD1 3.85Å; F121-V178 WeakPolarHBondContact CE1-O 3.35Å; F121-V178 HydrophobicContact CE2-CG2 4.4Å; F121-V178 HydrophobicContact CZ-CB 4.29Å; F121-V178 HydrophobicContact CZ-CG2 4.07Å; F121-V178 VanDerWaalsContact CZ-O 3.31Å; F121-V178 WeakPolarHBondContact CZ-O 3.24Å; F121-A179 HydrophobicContact CZ-CB 4.23Å; F121-Q213 VanDerWaalsContact CD1-NE2 3.31Å; F121-Q213 HydrophobicContact CE1-CG 4.28Å; F121-Q213 VanDerWaalsContact CE1-NE2 3.27Å; F121-Q213 HydrophobicContact CZ-CG 4.43Å; F121-Q213 VanDerWaalsContact CZ-NE2 3.29Å
122	N	97.3	Very high	96.8	Very high	53 Å²	53	72 Å²	72	28%	0.283	39%	0.387	S	S	.	.			trans	-93.6	179.7	169.2	72.5	9.8	0	0	0	112.4	Q124 A125 R126 Q128	N122-Q124 PolarHBondContact ND2-OE1 3.01Å; N122-Q124 VanDerWaalsContact ND2-OE1 3.12Å; N122-Q124 PolarHBondContact O-N 2.82Å; N122-Q124 VanDerWaalsContact O-N 3.15Å; N122-Q124 WeakPolarHBondContact OD1-CA 3.41Å; N122-Q124 PolarHBondContact OD1-N 3.14Å; N122-Q124 PolarHBondContact OD1-OE1 3.08Å; N122-A125 WeakPolarHBondContact O-CA 3.11Å; N122-A125 PolarHBondContact O-N 2.86Å; N122-A125 PolarHBondContact OD1-N 2.95Å; N122-R126 PolarHBondContact N-O 2.91Å; N122-R126 VanDerWaalsContact N-O 3.09Å; N122-R126 PolarHBondContact OD1-N 3.43Å; N122-Q128 HydrophobicContact CB-CG 4.41Å; N122-Q128 PolarHBondContact ND2-NE2 3.43Å
123	S	96.3	Very high	96.8	Very high	119 Å²	119	72.4 Å²	72.4	83%	0.832	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-6	-179.4	55.5	0	0	0	0	115.2
124	Q	96.6	Very high	96.9	Very high	120 Å²	120	68.7 Å²	68.7	56%	0.561	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	20	167.9	-57.2	86.9	1.7	0	0	111.9	N122 R126 P204	N122-Q124 PolarHBondContact ND2-OE1 3.01Å; N122-Q124 VanDerWaalsContact ND2-OE1 3.12Å; N122-Q124 PolarHBondContact O-N 2.82Å; N122-Q124 VanDerWaalsContact O-N 3.15Å; N122-Q124 WeakPolarHBondContact OD1-CA 3.41Å; N122-Q124 PolarHBondContact OD1-N 3.14Å; N122-Q124 PolarHBondContact OD1-OE1 3.08Å; Q124-R126 PolarHBondContact O-N 2.93Å; Q124-P204 WeakPolarHBondContact O-CG 3.17Å
125	A	97.1	Very high	96.9	Very high	13 Å²	13	67.7 Å²	67.7	11%	0.107	37%	0.368	C	S	.	.			trans	54.7	19.1	-176.2	0	0	0	0	0	115	F121 N122 H181 P204 C233	F121-A125 VanDerWaalsContact CD1-O 3.22Å; F121-A125 WeakPolarHBondContact CD1-O 3.23Å; N122-A125 WeakPolarHBondContact O-CA 3.11Å; N122-A125 PolarHBondContact O-N 2.86Å; N122-A125 PolarHBondContact OD1-N 2.95Å; A125-H181 PolarHBondContact O-CE1 2.84Å; A125-H181 PolarHBondContact O-NE2 3.35Å; A125-H181 VanDerWaalsContact O-NE2 3.16Å; A125-P204 HydrophobicContact CB-CB 4.4Å; A125-C233 HydrophobicContact CB-CB 4.38Å; A125-C233 WeakPolarHBondContact CB-SG 3.33Å
126	R	98.1	Very high	97	Very high	128 Å²	128	67.4 Å²	67.4	48%	0.483	37%	0.367	S	S	.	.			trans	-83.6	133.9	178.4	-66.2	-175.6	173.3	-144.7	-9.7	110.7	F121 N122 Q124 Q128 P204	F121-R126 WeakPolarHBondContact CA-O 3.45Å; N122-R126 PolarHBondContact N-O 2.91Å; N122-R126 VanDerWaalsContact N-O 3.09Å; N122-R126 PolarHBondContact OD1-N 3.43Å; Q124-R126 PolarHBondContact O-N 2.93Å; R126-Q128 PolarHBondContact O-NE2 2.95Å; R126-P204 HydrophobicContact CG-CG 3.78Å
127	Y	98.6	Very high	97	Very high	16 Å²	16	68 Å²	68	6%	0.063	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-66.5	133	177.3	-175.3	-112.4	0	0	0	112.1	S120 F121 Q129 R130 Y160 L161 A179 F202	S120-Y127 CarbonylContact O-C 3.55Å; S120-Y127 WeakPolarHBondContact O-CA 3.46Å; S120-Y127 WeakPolarHBondContact O-CD2 3.06Å; F121-Y127 HydrophobicContact CE1-CD2 4.13Å; F121-Y127 HydrophobicContact CE2-CD2 4.43Å; F121-Y127 HydrophobicContact CZ-CD2 4.07Å; Y127-Q129 VanDerWaalsContact CE1-C 3.47Å; Y127-Q129 HydrophobicContact CE1-CB 3.94Å; Y127-Q129 HydrophobicContact CE2-CB 4.24Å; Y127-R130 HydrophobicContact CD1-CB 4.25Å; Y127-Y160 HydrophobicContact CD1-CD1 4.44Å; Y127-Y160 AromaticContact CE1-CD1 3.67Å; Y127-Y160 HydrophobicContact CE1-CD1 3.67Å; Y127-Y160 HydrophobicContact CE1-CE1 4.5Å; Y127-Y160 HydrophobicContact CE1-CG 4.32Å; Y127-L161 HydrophobicContact CD2-CD1 4.11Å; Y127-L161 HydrophobicContact CE2-CD1 3.7Å; Y127-L161 HydrophobicContact CE2-CG 3.92Å; Y127-A179 HydrophobicContact CD1-CB 3.93Å; Y127-A179 HydrophobicContact CD2-CB 3.42Å; Y127-A179 VanDerWaalsContact CD2-CB 3.42Å; Y127-A179 HydrophobicContact CE1-CB 4.21Å; Y127-A179 HydrophobicContact CE2-CB 3.75Å; Y127-A179 HydrophobicContact CG-CB 3.5Å; Y127-F202 HydrophobicContact CD1-CD1 4.3Å; Y127-F202 HydrophobicContact CD1-CE1 4.02Å
128	Q	98.5	Very high	97.2	Very high	98 Å²	98	68.3 Å²	68.3	46%	0.458	37%	0.372	S	S	.	.	S	Bend	trans	-96.4	-29.9	-172.6	-60.4	-55.8	-72.8	0	0	113.7	S120 N122 R126 R130	S120-Q128 PolarHBondContact O-N 2.86Å; N122-Q128 HydrophobicContact CB-CG 4.41Å; N122-Q128 PolarHBondContact ND2-NE2 3.43Å; R126-Q128 PolarHBondContact O-NE2 2.95Å; Q128-R130 VanDerWaalsContact C-N 3.31Å; Q128-R130 PolarHBondContact O-N 3.12Å
129	Q	97.6	Very high	97.4	Very high	34 Å²	34	63 Å²	63	16%	0.159	33%	0.327	C	S	.	.			trans	-90.5	19.8	-168.1	-60.2	169.5	-5.1	0	0	113.7	D119 Y127 S131 L132	D119-Q129 VanDerWaalsContact CG-NE2 3.32Å; D119-Q129 PolarHBondContact OD1-NE2 3.5Å; D119-Q129 PolarHBondContact OD2-NE2 3.11Å; Y127-Q129 VanDerWaalsContact CE1-C 3.47Å; Y127-Q129 HydrophobicContact CE1-CB 3.94Å; Y127-Q129 HydrophobicContact CE2-CB 4.24Å; Q129-S131 PolarHBondContact O-N 2.94Å; Q129-L132 HydrophobicContact CB-CD1 3.94Å; Q129-L132 HydrophobicContact CB-CG 4.27Å; Q129-L132 WeakPolarHBondContact O-CB 3.36Å; Q129-L132 WeakPolarHBondContact O-CG 3.37Å; Q129-L132 PolarHBondContact O-N 2.73Å
130	R	96.4	Very high	97.6	Very high	141 Å²	141	58.1 Å²	58.1	53%	0.532	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-55.2	-23.3	-176.9	-175.8	174.4	175.6	172.1	3.1	114	Y127 Q128 L132 G133 Y160 F202	Y127-R130 HydrophobicContact CD1-CB 4.25Å; Q128-R130 VanDerWaalsContact C-N 3.31Å; Q128-R130 PolarHBondContact O-N 3.12Å; R130-L132 VanDerWaalsContact C-N 3.27Å; R130-L132 PolarHBondContact O-N 3.19Å; R130-G133 PolarHBondContact O-N 2.95Å; R130-Y160 HydrophobicContact CG-CE1 4.41Å; R130-F202 HydrophobicContact CB-CE1 4.26Å; R130-F202 HydrophobicContact CG-CD1 4.44Å; R130-F202 HydrophobicContact CG-CE1 3.89Å; R130-F202 HydrophobicContact CG-CE2 4.31Å; R130-F202 HydrophobicContact CG-CZ 3.8Å; R130-F202 VanDerWaalsContact NE-CE2 3.35Å
131	S	96.9	Very high	97.6	Very high	117 Å²	117	58.6 Å²	58.6	82%	0.818	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-70	-14	175.9	48.8	0	0	0	0	115	Q129 G133	Q129-S131 PolarHBondContact O-N 2.94Å; S131-G133 PolarHBondContact O-N 2.92Å
132	L	96.5	Very high	97.6	Very high	116 Å²	116	57.4 Å²	57.4	61%	0.607	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-71.3	-20.3	171.7	-60.1	-178.3	0	0	0	112.4	Q129 R130	Q129-L132 HydrophobicContact CB-CD1 3.94Å; Q129-L132 HydrophobicContact CB-CG 4.27Å; Q129-L132 WeakPolarHBondContact O-CB 3.36Å; Q129-L132 WeakPolarHBondContact O-CG 3.37Å; Q129-L132 PolarHBondContact O-N 2.73Å; R130-L132 VanDerWaalsContact C-N 3.27Å; R130-L132 PolarHBondContact O-N 3.19Å
133	G	98.3	Very high	97.7	Very high	18 Å²	18	54.9 Å²	54.9	19%	0.186	29%	0.286	C	S	.	.			trans	79.8	-179.2	-166.6	0	0	0	0	0	112.2	H114 R130 S131 Y160	H114-G133 PolarHBondContact CE1-O 2.79Å; H114-G133 VanDerWaalsContact CE1-O 3.26Å; R130-G133 PolarHBondContact O-N 2.95Å; S131-G133 PolarHBondContact O-N 2.92Å; G133-Y160 WeakPolarHBondContact O-CD1 3.14Å; G133-Y160 WeakPolarHBondContact O-CE1 3.5Å
134	P	98.4	Very high	97.7	Very high	25 Å²	25	50.2 Å²	50.2	16%	0.162	25%	0.252	C	S	.	.	S	Bend	trans	-77.4	162.4	175.6	33.2	-34.4	0	0	0	111.2	Q136 N157 F159 Y160	P134-Q136 PolarHBondContact O-N 3.48Å; P134-Q136 VanDerWaalsContact O-N 3.1Å; P134-Q136 PolarHBondContact O-NE2 3.05Å; P134-N157 WeakPolarHBondContact CB-O 3.31Å; P134-N157 HydrophobicContact CG-CB 3.96Å; P134-N157 VanDerWaalsContact CG-O 3.22Å; P134-N157 WeakPolarHBondContact CG-O 3.46Å; P134-F159 CarbonylContact C-O 3.58Å; P134-F159 VanDerWaalsContact CA-O 3.28Å; P134-F159 WeakPolarHBondContact CA-O 3.19Å; P134-F159 WeakPolarHBondContact CB-O 3.23Å; P134-Y160 HydrophobicContact CB-CD2 4.16Å; P134-Y160 HydrophobicContact CB-CE2 3.71Å
135	I	98.5	Very high	97.7	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.234	C	C	.	.			trans	-54.7	117.4	176.8	-61.1	157.6	0	0	0	109.5	R111 H114 Q137 T139 N157 F159 P162	R111-I135 VanDerWaalsContact O-CD1 3.3Å; R111-I135 WeakPolarHBondContact O-CD1 3.41Å; H114-I135 HydrophobicContact CB-CD1 4.2Å; H114-I135 HydrophobicContact CB-CG1 3.93Å; H114-I135 VanDerWaalsContact CG-CG1 3.47Å; I135-Q137 VanDerWaalsContact C-N 3.28Å; I135-Q137 HydrophobicContact CG2-CB 3.97Å; I135-Q137 HydrophobicContact CG2-CG 4.42Å; I135-Q137 PolarHBondContact O-N 2.89Å; I135-T139 HydrophobicContact CB-CG2 3.91Å; I135-T139 HydrophobicContact CD1-CG2 3.91Å; I135-T139 HydrophobicContact CG2-CG2 3.58Å; I135-N157 WeakPolarHBondContact O-CA 3.3Å; I135-N157 PolarHBondContact O-N 2.88Å; I135-F159 HydrophobicContact CD1-CB 4.37Å; I135-F159 PolarHBondContact N-O 2.83Å; I135-P162 VanDerWaalsContact CD1-CD 3.47Å; I135-P162 HydrophobicContact CD1-CG 3.81Å
136	Q	97.7	Very high	97.5	Very high	102 Å²	102	48.9 Å²	48.9	48%	0.477	26%	0.259	S	S	.	.			trans	-76.5	-19.3	-175.4	-63.4	-62	-70.7	0	0	112.8	P134 R156 N157	P134-Q136 PolarHBondContact O-N 3.48Å; P134-Q136 VanDerWaalsContact O-N 3.1Å; P134-Q136 PolarHBondContact O-NE2 3.05Å; Q136-R156 VanDerWaalsContact O-CZ 3.3Å; Q136-R156 PolarHBondContact O-NE 2.87Å; Q136-R156 PolarHBondContact O-NH2 2.82Å; Q136-N157 VanDerWaalsContact CD-OD1 3.24Å; Q136-N157 PolarHBondContact NE2-OD1 3.42Å; Q136-N157 PolarHBondContact OE1-OD1 3.17Å
137	Q	96.9	Very high	97.4	Very high	68 Å²	68	44.6 Å²	44.6	32%	0.318	25%	0.245	S	C	.	.	S	Bend	trans	-77.6	165.9	179.3	-52	179.8	11.4	0	0	110.8	G112 D113 I135 R156	G112-Q137 VanDerWaalsContact CA-OE1 3.28Å; D113-Q137 PolarHBondContact OD1-NE2 2.97Å; D113-Q137 PolarHBondContact OD2-NE2 3.13Å; I135-Q137 VanDerWaalsContact C-N 3.28Å; I135-Q137 HydrophobicContact CG2-CB 3.97Å; I135-Q137 HydrophobicContact CG2-CG 4.42Å; I135-Q137 PolarHBondContact O-N 2.89Å; Q137-R156 WeakPolarHBondContact O-CA 3.16Å
138	S	97.5	Very high	97.3	Very high	22 Å²	22	43.9 Å²	43.9	15%	0.154	24%	0.242	C	C	.	.			trans	-70.5	136.1	160.9	-66.6	0	0	0	0	108.3	H110 S154 R156	H110-S138 PolarHBondContact CE1-O 2.94Å; H110-S138 VanDerWaalsContact CE1-O 3.29Å; H110-S138 PolarHBondContact NE2-O 3.33Å; S138-S154 CarbonylContact C-O 3.56Å; S138-S154 WeakPolarHBondContact CA-O 3.42Å; S138-S154 WeakPolarHBondContact CB-O 3.39Å; S138-R156 WeakPolarHBondContact OG-CG 3.27Å
139	T	98.1	Very high	97.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.246	C	C	.	.			trans	-112	-24.2	-176.7	55.7	0	0	0	0	112.9	F109 H110 I135 S154 G155 F159	F109-T139 WeakPolarHBondContact CA-O 3.41Å; H110-T139 PolarHBondContact CD2-O 2.92Å; H110-T139 PolarHBondContact N-O 3.29Å; H110-T139 WeakPolarHBondContact O-CB 3.15Å; I135-T139 HydrophobicContact CB-CG2 3.91Å; I135-T139 HydrophobicContact CD1-CG2 3.91Å; I135-T139 HydrophobicContact CG2-CG2 3.58Å; T139-S154 PolarHBondContact N-O 3.21Å; T139-G155 PolarHBondContact OG1-O 3.39Å; T139-F159 HydrophobicContact CG2-CD2 4.23Å; T139-F159 WeakPolarHBondContact OG1-CD2 3.44Å; T139-F159 WeakPolarHBondContact OG1-CE2 3.23Å
140	I	98.5	Very high	97.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	114.4	177.2	-58.2	173.7	0	0	0	107.5	V107 I108 F109 S154 F159 I165 Y173 V175	V107-I140 HydrophobicContact CG1-CG2 3.78Å; I108-I140 WeakPolarHBondContact O-CA 3.33Å; F109-I140 HydrophobicContact CD2-CD1 4.46Å; F109-I140 HydrophobicContact CD2-CG1 3.59Å; F109-I140 HydrophobicContact CE2-CD1 4.37Å; F109-I140 HydrophobicContact CE2-CG1 3.86Å; I140-S154 PolarHBondContact N-O 2.88Å; I140-S154 PolarHBondContact O-N 2.92Å; I140-S154 PolarHBondContact O-OG 3.32Å; I140-F159 HydrophobicContact CD1-CE2 4.12Å; I140-F159 HydrophobicContact CD1-CZ 4.21Å; I140-F159 HydrophobicContact CG1-CE2 4.43Å; I140-I165 HydrophobicContact CD1-CD1 4.42Å; I140-I165 HydrophobicContact CG1-CD1 4.35Å; I140-I165 HydrophobicContact CG2-CD1 4.18Å; I140-Y173 HydrophobicContact CD1-CD2 3.96Å; I140-Y173 HydrophobicContact CD1-CG 4.4Å; I140-Y173 HydrophobicContact CG2-CD2 3.95Å; I140-Y173 HydrophobicContact CG2-CE2 3.88Å; I140-Y173 HydrophobicContact CG2-CG 4.38Å; I140-V175 HydrophobicContact CD1-CG1 4.29Å
141	L	98.2	Very high	97.1	Very high	9 Å²	9	44.7 Å²	44.7	5%	0.047	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	129.5	179.1	-53.7	-180	0	0	0	109.9	L92 V107 I108 V143 I150 K152 A153	L92-L141 HydrophobicContact CD2-CD1 3.64Å; V107-L141 CarbonylContact C-O 3.52Å; V107-L141 WeakPolarHBondContact CA-O 3.1Å; I108-L141 HydrophobicContact CB-CB 4.49Å; I108-L141 PolarHBondContact N-O 3.35Å; I108-L141 PolarHBondContact O-N 2.67Å; L141-V143 HydrophobicContact CB-CG2 4.17Å; L141-I150 HydrophobicContact CD1-CD1 4.06Å; L141-K152 WeakPolarHBondContact CA-O 3.35Å; L141-A153 HydrophobicContact CD2-CB 3.57Å
142	V	98.1	Very high	97.1	Very high	6 Å²	6	42.4 Å²	42.4	4%	0.036	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	129.7	167.4	-170.2	0	0	0	0	108.1	N105 L106 V107 L151 K152 Y173	N105-V142 HydrophobicContact CB-CG1 3.54Å; L106-V142 CarbonylContact O-C 3.55Å; L106-V142 WeakPolarHBondContact O-CA 3.28Å; V107-V142 HydrophobicContact CG2-CG2 4.42Å; V142-L151 PolarHBondContact O-N 3.47Å; V142-K152 HydrophobicContact CB-CB 3.82Å; V142-K152 HydrophobicContact CG2-CB 3.92Å; V142-K152 HydrophobicContact CG2-CD 4.28Å; V142-K152 PolarHBondContact N-O 3.22Å; V142-K152 PolarHBondContact O-N 2.82Å; V142-Y173 WeakPolarHBondContact CG2-OH 3.4Å
143	V	97.9	Very high	97.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	134.8	-165.6	178	0	0	0	0	110.7	W85 L90 L106 I108 L141 R149 I150	W85-V143 HydrophobicContact CZ2-CG1 4.16Å; L90-V143 HydrophobicContact CD2-CG1 4.18Å; L90-V143 HydrophobicContact CD2-CG2 4.02Å; L106-V143 HydrophobicContact CB-CB 4.37Å; L106-V143 PolarHBondContact N-O 2.71Å; L106-V143 PolarHBondContact O-N 3.29Å; I108-V143 HydrophobicContact CD1-CB 4.36Å; I108-V143 HydrophobicContact CD1-CG2 3.72Å; I108-V143 HydrophobicContact CG1-CG2 4.28Å; L141-V143 HydrophobicContact CB-CG2 4.17Å; V143-R149 WeakPolarHBondContact CA-O 3.16Å; V143-I150 HydrophobicContact CG2-CG1 4.36Å
144	D	96.8	Very high	97.1	Very high	22 Å²	22	38.6 Å²	38.6	12%	0.118	21%	0.209	C	C	.	.			trans	-61.2	117.1	177.5	-174.8	-45.2	0	0	0	110.7	W85 A146 N147 G148 R149 L151	W85-D144 PolarHBondContact NE1-O 3.4Å; D144-A146 PolarHBondContact O-N 3.07Å; D144-A146 WeakPolarHBondContact OD1-CB 3.38Å; D144-A146 PolarHBondContact OD1-N 2.84Å; D144-N147 VanDerWaalsContact CB-OD1 3.32Å; D144-N147 WeakPolarHBondContact CB-OD1 3.49Å; D144-N147 PolarHBondContact OD1-N 3.28Å; D144-N147 PolarHBondContact OD1-ND2 3.02Å; D144-N147 VanDerWaalsContact OD1-ND2 3.11Å; D144-N147 PolarHBondContact OD2-ND2 3.11Å; D144-N147 PolarHBondContact OD2-OD1 3.11Å; D144-G148 VanDerWaalsContact O-CA 3.31Å; D144-G148 WeakPolarHBondContact O-CA 3.49Å; D144-G148 PolarHBondContact O-N 3.18Å; D144-R149 HydrophobicContact CB-CB 4.21Å; D144-R149 WeakPolarHBondContact CB-O 3.27Å; D144-R149 PolarHBondContact N-O 3.38Å; D144-R149 IonicContact OD2-NE 3.61Å; D144-R149 IonicContact OD2-NH2 2.6Å; D144-R149 PolarHBondContact OD2-NH2 3.35Å; D144-L151 HydrophobicContact CB-CD1 4.23Å; D144-L151 HydrophobicContact CB-CD2 4.09Å; D144-L151 HydrophobicContact CB-CG 4.09Å
145	P	96.3	Very high	97	Very high	30 Å²	30	37.4 Å²	37.4	20%	0.195	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-11.2	-172.5	31.5	-35.7	0	0	0	112.8	W85 F376 K387	W85-P145 PolarHBondContact NE1-O 2.81Å; P145-F376 HydrophobicContact CB-CE2 4.4Å; P145-F376 HydrophobicContact CB-CZ 3.83Å; P145-K387 PolarHBondContact O-NZ 3.07Å
146	A	94.4	Very high	96.9	Very high	75 Å²	75	43.6 Å²	43.6	62%	0.62	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-40.8	178.7	0	0	0	0	0	112.4	D144	D144-A146 PolarHBondContact O-N 3.07Å; D144-A146 WeakPolarHBondContact OD1-CB 3.38Å; D144-A146 PolarHBondContact OD1-N 2.84Å
147	N	94.7	Very high	96.8	Very high	38 Å²	38	42.5 Å²	42.5	20%	0.203	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.8	-16.9	-174.1	55.8	59.5	0	0	0	115.3	Q87 D144 R149	Q87-N147 WeakPolarHBondContact CB-O 3.36Å; Q87-N147 HydrophobicContact CG-CB 4.32Å; Q87-N147 WeakPolarHBondContact CG-O 3.43Å; Q87-N147 PolarHBondContact N-O 3.44Å; D144-N147 VanDerWaalsContact CB-OD1 3.32Å; D144-N147 WeakPolarHBondContact CB-OD1 3.49Å; D144-N147 PolarHBondContact OD1-N 3.28Å; D144-N147 PolarHBondContact OD1-ND2 3.02Å; D144-N147 VanDerWaalsContact OD1-ND2 3.11Å; D144-N147 PolarHBondContact OD2-ND2 3.11Å; D144-N147 PolarHBondContact OD2-OD1 3.11Å; N147-R149 WeakPolarHBondContact OD1-CB 3.09Å; N147-R149 PolarHBondContact OD1-N 2.85Å
148	G	96.1	Very high	96.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.213	C	C	.	.			trans	84.3	15.3	179	0	0	0	0	0	114.6	W85 L90 D144	W85-G148 VanDerWaalsContact NE1-N 3.17Å; L90-G148 WeakPolarHBondContact CD2-O 3.34Å; D144-G148 VanDerWaalsContact O-CA 3.31Å; D144-G148 WeakPolarHBondContact O-CA 3.49Å; D144-G148 PolarHBondContact O-N 3.18Å
149	R	96.9	Very high	96.9	Very high	141 Å²	141	39.6 Å²	39.6	53%	0.532	21%	0.206	S	C	.	.			trans	-72.9	136.2	171.8	178.1	179.6	55.2	126.8	5	110.8	V143 D144 N147 L151	V143-R149 WeakPolarHBondContact CA-O 3.16Å; D144-R149 HydrophobicContact CB-CB 4.21Å; D144-R149 WeakPolarHBondContact CB-O 3.27Å; D144-R149 PolarHBondContact N-O 3.38Å; D144-R149 IonicContact OD2-NE 3.61Å; D144-R149 IonicContact OD2-NH2 2.6Å; D144-R149 PolarHBondContact OD2-NH2 3.35Å; N147-R149 WeakPolarHBondContact OD1-CB 3.09Å; N147-R149 PolarHBondContact OD1-N 2.85Å; R149-L151 PolarHBondContact O-N 3.41Å
150	I	97	Very high	97	Very high	76 Å²	76	41.1 Å²	41.1	39%	0.39	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	120.3	170.9	-57.2	175	0	0	0	109.1	L90 L141 V143 K152 A153	L90-I150 HydrophobicContact CD2-CD1 4.18Å; L90-I150 HydrophobicContact CD2-CG1 3.65Å; L141-I150 HydrophobicContact CD1-CD1 4.06Å; V143-I150 HydrophobicContact CG2-CG1 4.36Å; I150-K152 VanDerWaalsContact CG2-O 3.3Å; I150-K152 WeakPolarHBondContact CG2-O 3.33Å; I150-A153 HydrophobicContact CG2-CB 4.49Å
151	L	96	Very high	97	Very high	73 Å²	73	41.1 Å²	41.1	38%	0.382	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-33.5	173.8	-59.8	177.5	0	0	0	111.5	N105 V142 D144 R149	N105-L151 HydrophobicContact CB-CD1 4.28Å; N105-L151 VanDerWaalsContact OD1-CD1 3.3Å; N105-L151 WeakPolarHBondContact OD1-CD1 3.41Å; V142-L151 PolarHBondContact O-N 3.47Å; D144-L151 HydrophobicContact CB-CD1 4.23Å; D144-L151 HydrophobicContact CB-CD2 4.09Å; D144-L151 HydrophobicContact CB-CG 4.09Å; R149-L151 PolarHBondContact O-N 3.41Å
152	K	95.6	Very high	97	Very high	70 Å²	70	40.7 Å²	40.7	30%	0.304	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	149.9	-175.3	-163	174	-171.2	162.9	0	111.1	L141 V142 I150 G188 D189 G190	L141-K152 WeakPolarHBondContact CA-O 3.35Å; V142-K152 HydrophobicContact CB-CB 3.82Å; V142-K152 HydrophobicContact CG2-CB 3.92Å; V142-K152 HydrophobicContact CG2-CD 4.28Å; V142-K152 PolarHBondContact N-O 3.22Å; V142-K152 PolarHBondContact O-N 2.82Å; I150-K152 VanDerWaalsContact CG2-O 3.3Å; I150-K152 WeakPolarHBondContact CG2-O 3.33Å; K152-G188 PolarHBondContact NZ-O 2.81Å; K152-D189 WeakPolarHBondContact CE-O 3.39Å; K152-D189 PolarHBondContact NZ-O 3.16Å; K152-G190 VanDerWaalsContact CE-CA 3.48Å
153	A	96.6	Very high	97	Very high	51 Å²	51	40.5 Å²	40.5	42%	0.421	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	134.7	175.8	0	0	0	0	0	110.4	L141 I150	L141-A153 HydrophobicContact CD2-CB 3.57Å; I150-A153 HydrophobicContact CG2-CB 4.49Å
154	S	97.7	Very high	97.1	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.021	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	179.2	-168.9	30.3	0	0	0	0	111.1	S138 T139 I140 D192	S138-S154 CarbonylContact C-O 3.56Å; S138-S154 WeakPolarHBondContact CA-O 3.42Å; S138-S154 WeakPolarHBondContact CB-O 3.39Å; T139-S154 PolarHBondContact N-O 3.21Å; I140-S154 PolarHBondContact N-O 2.88Å; I140-S154 PolarHBondContact O-N 2.92Å; I140-S154 PolarHBondContact O-OG 3.32Å; S154-D192 VanDerWaalsContact CA-OD1 3.28Å; S154-D192 WeakPolarHBondContact CA-OD1 3.37Å; S154-D192 WeakPolarHBondContact CB-OD1 3.22Å
155	G	96.8	Very high	97.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.204	C	C	.	.			trans	86.8	18.1	176	0	0	0	0	0	115.4	T139 M158 D192	T139-G155 PolarHBondContact OG1-O 3.39Å; G155-M158 PolarHBondContact O-N 2.69Å; G155-D192 PolarHBondContact N-OD1 3.37Å; G155-D192 PolarHBondContact N-OD2 2.95Å; G155-D192 VanDerWaalsContact N-OD2 3.16Å
156	R	96.3	Very high	97.3	Very high	129 Å²	129	39.9 Å²	39.9	49%	0.487	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	132.9	-172.9	-59.4	-168.5	67.8	123.6	1	111.8	Q136 Q137 S138 M158 D192	Q136-R156 VanDerWaalsContact O-CZ 3.3Å; Q136-R156 PolarHBondContact O-NE 2.87Å; Q136-R156 PolarHBondContact O-NH2 2.82Å; Q137-R156 WeakPolarHBondContact O-CA 3.16Å; S138-R156 WeakPolarHBondContact OG-CG 3.27Å; R156-M158 PolarHBondContact O-N 2.91Å; R156-D192 PolarHBondContact N-OD2 2.89Å
157	N	97.1	Very high	97.4	Very high	80 Å²	80	37.5 Å²	37.5	43%	0.428	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	14.4	179.9	-46.4	-73.3	0	0	0	115.1	P134 I135 Q136	P134-N157 WeakPolarHBondContact CB-O 3.31Å; P134-N157 HydrophobicContact CG-CB 3.96Å; P134-N157 VanDerWaalsContact CG-O 3.22Å; P134-N157 WeakPolarHBondContact CG-O 3.46Å; I135-N157 WeakPolarHBondContact O-CA 3.3Å; I135-N157 PolarHBondContact O-N 2.88Å; Q136-N157 VanDerWaalsContact CD-OD1 3.24Å; Q136-N157 PolarHBondContact NE2-OD1 3.42Å; Q136-N157 PolarHBondContact OE1-OD1 3.17Å
158	M	97.8	Very high	97.5	Very high	29 Å²	29	36.1 Å²	36.1	14%	0.143	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-29.2	-175.4	-61.8	-173.3	75.4	0	0	113.8	G155 R156 V186 D192 T194	G155-M158 PolarHBondContact O-N 2.69Å; R156-M158 PolarHBondContact O-N 2.91Å; M158-V186 HydrophobicContact CE-CB 4.39Å; M158-V186 HydrophobicContact CE-CG1 3.76Å; M158-V186 HydrophobicContact CE-CG2 3.68Å; M158-V186 HydrophobicContact SD-CG1 3.99Å; M158-D192 HydrophobicContact SD-CB 3.9Å; M158-T194 VanDerWaalsContact CE-OG1 3.23Å; M158-T194 WeakPolarHBondContact CE-OG1 3.45Å
159	F	98.6	Very high	97.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.206	C	C	.	.			trans	-127.1	160	-163.6	-50.3	-70.6	0	0	0	113.1	F109 P134 I135 T139 I140 P162 V175 D177 L184 V186	F109-F159 HydrophobicContact CE2-CD1 4.44Å; F109-F159 AromaticContact CE2-CD2 3.74Å; F109-F159 HydrophobicContact CE2-CD2 3.74Å; F109-F159 HydrophobicContact CE2-CE1 4.44Å; F109-F159 AromaticContact CE2-CE2 3.71Å; F109-F159 HydrophobicContact CE2-CE2 3.71Å; F109-F159 HydrophobicContact CE2-CG 4.09Å; F109-F159 HydrophobicContact CE2-CZ 4.08Å; F109-F159 AromaticContact CZ-CD1 3.96Å; F109-F159 HydrophobicContact CZ-CD1 3.96Å; F109-F159 HydrophobicContact CZ-CD2 4.09Å; F109-F159 HydrophobicContact CZ-CE1 4.01Å; F109-F159 HydrophobicContact CZ-CE2 4.1Å; F109-F159 AromaticContact CZ-CG 4Å; F109-F159 HydrophobicContact CZ-CG 4Å; F109-F159 HydrophobicContact CZ-CZ 4.06Å; P134-F159 CarbonylContact C-O 3.58Å; P134-F159 VanDerWaalsContact CA-O 3.28Å; P134-F159 WeakPolarHBondContact CA-O 3.19Å; P134-F159 WeakPolarHBondContact CB-O 3.23Å; I135-F159 HydrophobicContact CD1-CB 4.37Å; I135-F159 PolarHBondContact N-O 2.83Å; T139-F159 HydrophobicContact CG2-CD2 4.23Å; T139-F159 WeakPolarHBondContact OG1-CD2 3.44Å; T139-F159 WeakPolarHBondContact OG1-CE2 3.23Å; I140-F159 HydrophobicContact CD1-CE2 4.12Å; I140-F159 HydrophobicContact CD1-CZ 4.21Å; I140-F159 HydrophobicContact CG1-CE2 4.43Å; F159-P162 HydrophobicContact CB-CG 3.87Å; F159-P162 HydrophobicContact CG-CG 4.41Å; F159-V175 HydrophobicContact CE1-CG2 3.61Å; F159-V175 HydrophobicContact CZ-CG2 3.84Å; F159-D177 WeakPolarHBondContact CA-OD2 3.45Å; F159-D177 WeakPolarHBondContact CB-OD2 3.36Å; F159-L184 HydrophobicContact CE1-CD1 4.46Å; F159-V186 HydrophobicContact CZ-CG2 4.29Å
160	Y	98.8	Very high	97.2	Very high	31 Å²	31	42.4 Å²	42.4	12%	0.122	21%	0.211	C	C	.	.	S	Bend	trans	-122.2	-42.5	179.2	-76.8	-99.7	0	0	0	112.4	H114 Y127 R130 G133 P134 D177 L180 F202	H114-Y160 PolarHBondContact ND1-O 2.9Å; Y127-Y160 HydrophobicContact CD1-CD1 4.44Å; Y127-Y160 AromaticContact CE1-CD1 3.67Å; Y127-Y160 HydrophobicContact CE1-CD1 3.67Å; Y127-Y160 HydrophobicContact CE1-CE1 4.5Å; Y127-Y160 HydrophobicContact CE1-CG 4.32Å; R130-Y160 HydrophobicContact CG-CE1 4.41Å; G133-Y160 WeakPolarHBondContact O-CD1 3.14Å; G133-Y160 WeakPolarHBondContact O-CE1 3.5Å; P134-Y160 HydrophobicContact CB-CD2 4.16Å; P134-Y160 HydrophobicContact CB-CE2 3.71Å; Y160-D177 PolarHBondContact N-OD2 3.42Å; Y160-L180 HydrophobicContact CD2-CD2 3.84Å; Y160-L180 HydrophobicContact CD2-CG 4.18Å; Y160-L180 HydrophobicContact CE2-CD2 4.21Å; Y160-F202 HydrophobicContact CD1-CE1 4.25Å; Y160-F202 HydrophobicContact CD1-CZ 4.34Å; Y160-F202 HydrophobicContact CD2-CE1 4.21Å; Y160-F202 AromaticContact CD2-CZ 3.85Å; Y160-F202 HydrophobicContact CD2-CZ 3.85Å; Y160-F202 HydrophobicContact CE1-CE1 4.32Å; Y160-F202 HydrophobicContact CE1-CZ 4.06Å; Y160-F202 HydrophobicContact CE2-CE1 4.34Å; Y160-F202 AromaticContact CE2-CZ 3.59Å; Y160-F202 HydrophobicContact CE2-CZ 3.59Å; Y160-F202 HydrophobicContact CG-CE1 4.17Å; Y160-F202 HydrophobicContact CG-CZ 4.22Å; Y160-F202 AromaticContact CZ-CZ 3.68Å
161	L	98.6	Very high	97.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	-143.7	84.5	168.4	-74.2	-178.3	0	0	0	109.9	H114 W116 F121 Y127 D177 V178 A179	H114-L161 HydrophobicContact CB-CD2 4.31Å; W116-L161 HydrophobicContact CB-CD1 4.18Å; W116-L161 HydrophobicContact CB-CD2 4.2Å; W116-L161 HydrophobicContact CD2-CD1 4.42Å; W116-L161 HydrophobicContact CG-CD1 4.05Å; F121-L161 HydrophobicContact CE2-CD1 3.54Å; F121-L161 HydrophobicContact CZ-CD1 3.85Å; Y127-L161 HydrophobicContact CD2-CD1 4.11Å; Y127-L161 HydrophobicContact CE2-CD1 3.7Å; Y127-L161 HydrophobicContact CE2-CG 3.92Å; L161-D177 PolarHBondContact N-OD1 3.45Å; L161-D177 PolarHBondContact N-OD2 2.74Å; L161-D177 WeakPolarHBondContact O-CA 3.24Å; L161-V178 HydrophobicContact CB-CG2 3.56Å; L161-V178 HydrophobicContact CD1-CG2 4.11Å; L161-V178 WeakPolarHBondContact O-CG2 3.48Å; L161-V178 PolarHBondContact O-N 3.22Å; L161-V178 VanDerWaalsContact O-N 3.1Å; L161-A179 HydrophobicContact CB-CB 3.82Å; L161-A179 HydrophobicContact CD1-CB 4.16Å; L161-A179 HydrophobicContact CG-CB 3.98Å
162	P	98.8	Very high	97.2	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-42.4	137.9	166.9	-36.4	39.2	0	0	0	114.4	S96 F109 R111 I135 F159	S96-P162 VanDerWaalsContact CB-O 3.29Å; S96-P162 WeakPolarHBondContact CB-O 3.3Å; S96-P162 VanDerWaalsContact OG-C 3.28Å; S96-P162 WeakPolarHBondContact OG-CB 3.32Å; S96-P162 PolarHBondContact OG-O 2.85Å; F109-P162 HydrophobicContact CD1-CB 3.87Å; F109-P162 HydrophobicContact CD2-CB 4.01Å; F109-P162 HydrophobicContact CD2-CG 4.31Å; F109-P162 HydrophobicContact CE1-CB 3.57Å; F109-P162 HydrophobicContact CE1-CG 4.35Å; F109-P162 HydrophobicContact CE2-CB 3.72Å; F109-P162 HydrophobicContact CE2-CG 3.73Å; F109-P162 HydrophobicContact CG-CB 4.08Å; F109-P162 HydrophobicContact CZ-CB 3.5Å; F109-P162 HydrophobicContact CZ-CG 3.76Å; R111-P162 HydrophobicContact CG-CB 4.04Å; R111-P162 HydrophobicContact CG-CG 4.33Å; R111-P162 PolarHBondContact NE-O 3.1Å; R111-P162 PolarHBondContact NH2-O 2.91Å; R111-P162 VanDerWaalsContact NH2-O 3.13Å; I135-P162 VanDerWaalsContact CD1-CD 3.47Å; I135-P162 HydrophobicContact CD1-CG 3.81Å; F159-P162 HydrophobicContact CB-CG 3.87Å; F159-P162 HydrophobicContact CG-CG 4.41Å
163	H	98.9	Very high	97.4	Very high	3 Å²	3	35 Å²	35	1%	0.014	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	-113.8	168.4	-159.4	-77.4	0	0	0	110.8	S96 G97 F109 W116 T176 V178 T215 Y232 H267 H365	S96-H163 CarbonylContact C-O 3.54Å; S96-H163 VanDerWaalsContact CB-O 3.29Å; S96-H163 WeakPolarHBondContact CB-O 3.41Å; S96-H163 VanDerWaalsContact O-O 3.12Å; S96-H163 PolarHBondContact OG-O 3.15Å; G97-H163 PolarHBondContact N-O 2.8Å; F109-H163 WeakPolarHBondContact CD1-O 3.23Å; W116-H163 AromaticContact CZ3-CD2 3.99Å; H163-T176 WeakPolarHBondContact CB-OG1 3.26Å; H163-T176 PolarHBondContact N-O 3.04Å; H163-V178 HydrophobicContact CB-CG1 4.01Å; H163-T215 PolarHBondContact ND1-O 2.86Å; H163-Y232 AromaticContact CD2-CE2 3.91Å; H163-Y232 AromaticContact NE2-CE2 3.46Å; H163-Y232 WeakPolarHBondContact NE2-CE2 3.19Å; H163-Y232 AromaticContact NE2-CZ 3.86Å; H163-Y232 PolarHBondContact NE2-OH 2.91Å; H163-H267 AromaticContact CE1-CE1 3.72Å; H163-H267 AromaticContact CE1-NE2 3.83Å; H163-H267 AromaticContact NE2-CE1 3.89Å; H163-H267 AromaticContact NE2-NE2 3.63Å; H163-H365 AromaticContact CD2-CE1 3.72Å; H163-H365 AromaticContact CE1-CE1 3.54Å; H163-H365 AromaticContact NE2-CE1 3.29Å; H163-H365 PolarHBondContact NE2-CE1 2.93Å; H163-H365 VanDerWaalsContact NE2-CE1 3.29Å; H163-H365 AromaticContact NE2-NE2 3.7Å
164	G	98.8	Very high	97.5	Very high	2 Å²	2	32.8 Å²	32.8	2%	0.021	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	160.3	-177	0	0	0	0	0	114	V175 T176 T215	G164-V175 WeakPolarHBondContact O-CA 3.38Å; G164-T176 PolarHBondContact N-OG1 2.75Å; G164-T176 PolarHBondContact O-N 3.41Å; G164-T176 VanDerWaalsContact O-N 3.12Å; G164-T215 WeakPolarHBondContact CA-O 3.35Å; G164-T215 PolarHBondContact N-O 3.35Å; G164-T215 VanDerWaalsContact N-O 3.09Å
165	I	98.8	Very high	97.5	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	133.8	175.7	-174.4	165.1	0	0	0	110.5	G97 A99 V107 F109 I140 Y173 W174 V175	G97-I165 VanDerWaalsContact C-CG2 3.43Å; A99-I165 HydrophobicContact CB-CG1 4.28Å; A99-I165 HydrophobicContact CB-CG2 4.09Å; V107-I165 HydrophobicContact CG1-CD1 3.79Å; F109-I165 HydrophobicContact CB-CB 3.95Å; F109-I165 HydrophobicContact CB-CD1 3.97Å; F109-I165 HydrophobicContact CB-CG2 3.74Å; F109-I165 HydrophobicContact CD1-CB 4.02Å; F109-I165 HydrophobicContact CG-CB 4.31Å; F109-I165 HydrophobicContact CG-CD1 4.31Å; I140-I165 HydrophobicContact CD1-CD1 4.42Å; I140-I165 HydrophobicContact CG1-CD1 4.35Å; I140-I165 HydrophobicContact CG2-CD1 4.18Å; I165-Y173 HydrophobicContact CD1-CD1 4.32Å; I165-Y173 HydrophobicContact CD1-CG 4.26Å; I165-W174 CarbonylContact C-O 3.56Å; I165-W174 VanDerWaalsContact CA-O 3.31Å; I165-W174 WeakPolarHBondContact CA-O 3.34Å; I165-V175 HydrophobicContact CB-CG1 3.97Å; I165-V175 HydrophobicContact CD1-CG1 3.74Å; I165-V175 HydrophobicContact CG1-CG1 3.62Å
166	T	98.5	Very high	97.6	Very high	34 Å²	34	32.7 Å²	32.7	21%	0.209	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	139.8	170.7	-84.5	0	0	0	0	109.6	W174 V217 V219	T166-W174 PolarHBondContact N-O 2.83Å; T166-W174 PolarHBondContact O-N 2.86Å; T166-V217 WeakPolarHBondContact CB-O 3.37Å; T166-V217 PolarHBondContact OG1-O 2.8Å; T166-V219 HydrophobicContact CG2-CG2 4.38Å
167	T	97.8	Very high	97.8	Very high	26 Å²	26	26.5 Å²	26.5	16%	0.16	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	135.9	174.9	-44.4	0	0	0	0	110.6	A99 L100 N171 N172 Y173	A99-T167 WeakPolarHBondContact CB-OG1 3.31Å; L100-T167 WeakPolarHBondContact O-CB 3.47Å; L100-T167 PolarHBondContact O-OG1 3Å; T167-N171 HydrophobicContact CG2-CB 4.36Å; T167-N172 CarbonylContact C-O 3.6Å; T167-N172 WeakPolarHBondContact CA-O 3.4Å; T167-Y173 HydrophobicContact CG2-CD1 4.36Å; T167-Y173 HydrophobicContact CG2-CE1 4.37Å
168	D	95.8	Very high	97.8	Very high	9 Å²	9	22.7 Å²	22.7	5%	0.048	11%	0.112	C	C	.	.			trans	-90.3	174.9	170.5	70.6	23.3	0	0	0	113.5	E170 N171 N172 W174 K185	D168-E170 PolarHBondContact O-N 3.21Å; D168-E170 VanDerWaalsContact O-N 3.11Å; D168-E170 WeakPolarHBondContact OD1-CB 3.44Å; D168-E170 PolarHBondContact OD1-N 2.75Å; D168-E170 VanDerWaalsContact OD1-N 3.12Å; D168-N171 WeakPolarHBondContact O-CA 3.35Å; D168-N171 PolarHBondContact O-N 2.87Å; D168-N171 PolarHBondContact OD1-N 2.93Å; D168-N172 PolarHBondContact N-O 2.58Å; D168-N172 WeakPolarHBondContact OD1-CB 3.42Å; D168-N172 PolarHBondContact OD1-N 2.88Å; D168-N172 PolarHBondContact OD1-ND2 3.25Å; D168-N172 VanDerWaalsContact OD1-ND2 3.1Å; D168-N172 PolarHBondContact OD2-ND2 2.92Å; D168-W174 PolarHBondContact OD2-NE1 3.49Å; D168-W174 VanDerWaalsContact OD2-NE1 3.15Å; D168-K185 WeakPolarHBondContact OD2-CE 3.43Å; D168-K185 IonicContact OD2-NZ 2.67Å; D168-K185 PolarHBondContact OD2-NZ 3.23Å
169	Q	93.6	Very high	97.9	Very high	135 Å²	135	21.3 Å²	21.3	63%	0.631	11%	0.105	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-19	-176.9	-71.6	-171	-22	0	0	114.5	N171 P221	Q169-N171 VanDerWaalsContact C-N 3.3Å; Q169-P221 HydrophobicContact CG-CB 4.23Å; Q169-P221 VanDerWaalsContact NE2-CB 3.3Å; Q169-P221 PolarHBondContact NE2-O 3.28Å; Q169-P221 PolarHBondContact OE1-O 3.15Å
170	E	94.4	Very high	97.9	Very high	137 Å²	137	21.9 Å²	21.9	64%	0.64	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.6	7.1	176.8	-60.6	177.3	141.8	0	0	111.9	D168 N172 K185	D168-E170 PolarHBondContact O-N 3.21Å; D168-E170 VanDerWaalsContact O-N 3.11Å; D168-E170 WeakPolarHBondContact OD1-CB 3.44Å; D168-E170 PolarHBondContact OD1-N 2.75Å; D168-E170 VanDerWaalsContact OD1-N 3.12Å; E170-N172 VanDerWaalsContact C-N 3.27Å; E170-N172 WeakPolarHBondContact CB-ND2 3.37Å; E170-N172 PolarHBondContact O-N 2.85Å; E170-N172 PolarHBondContact OE2-ND2 3.11Å; E170-K185 IonicContact OE2-NZ 2.89Å; E170-K185 PolarHBondContact OE2-NZ 3.43Å
171	N	95.7	Very high	97.9	Very high	44 Å²	44	20.4 Å²	20.4	24%	0.235	10%	0.102	C	C	.	.	S	Bend	trans	63.4	18.7	-170.6	-68.7	-40.5	0	0	0	115.5	S102 T167 D168 Q169 G188	S102-N171 PolarHBondContact N-OD1 2.96Å; S102-N171 PolarHBondContact OG-ND2 2.91Å; T167-N171 HydrophobicContact CG2-CB 4.36Å; D168-N171 WeakPolarHBondContact O-CA 3.35Å; D168-N171 PolarHBondContact O-N 2.87Å; D168-N171 PolarHBondContact OD1-N 2.93Å; Q169-N171 VanDerWaalsContact C-N 3.3Å; N171-G188 WeakPolarHBondContact O-CA 3.21Å
172	N	97.4	Very high	97.9	Very high	14 Å²	14	21.4 Å²	21.4	8%	0.075	11%	0.107	C	C	.	.	P	Polyproline II helix	trans	-78.1	154.3	171.1	-51.2	-74	0	0	0	111.1	T167 D168 E170 K185 V186 S187 G188 L195	T167-N172 CarbonylContact C-O 3.6Å; T167-N172 WeakPolarHBondContact CA-O 3.4Å; D168-N172 PolarHBondContact N-O 2.58Å; D168-N172 WeakPolarHBondContact OD1-CB 3.42Å; D168-N172 PolarHBondContact OD1-N 2.88Å; D168-N172 PolarHBondContact OD1-ND2 3.25Å; D168-N172 VanDerWaalsContact OD1-ND2 3.1Å; D168-N172 PolarHBondContact OD2-ND2 2.92Å; E170-N172 VanDerWaalsContact C-N 3.27Å; E170-N172 WeakPolarHBondContact CB-ND2 3.37Å; E170-N172 PolarHBondContact O-N 2.85Å; E170-N172 PolarHBondContact OE2-ND2 3.11Å; N172-K185 HydrophobicContact CB-CD 4.39Å; N172-K185 HydrophobicContact CB-CG 4.04Å; N172-K185 VanDerWaalsContact CG-CE 3.46Å; N172-K185 WeakPolarHBondContact ND2-CE 3.39Å; N172-K185 PolarHBondContact ND2-NZ 2.94Å; N172-K185 VanDerWaalsContact ND2-NZ 3.17Å; N172-V186 WeakPolarHBondContact CA-O 3.23Å; N172-V186 WeakPolarHBondContact CB-O 3.39Å; N172-S187 WeakPolarHBondContact OD1-CA 3.35Å; N172-G188 PolarHBondContact OD1-N 3.02Å; N172-L195 HydrophobicContact CB-CD1 4.37Å; N172-L195 VanDerWaalsContact OD1-CD1 3.27Å; N172-L195 WeakPolarHBondContact OD1-CD1 3.44Å
173	Y	98.4	Very high	97.9	Very high	6 Å²	6	21.4 Å²	21.4	2%	0.024	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	117.6	-179.1	-46.4	-55.2	0	0	0	110.2	V107 I140 V142 I165 T167 K185 V186	V107-Y173 HydrophobicContact CG1-CD1 4.1Å; V107-Y173 HydrophobicContact CG1-CE1 3.84Å; V107-Y173 HydrophobicContact CG2-CE1 4.1Å; I140-Y173 HydrophobicContact CD1-CD2 3.96Å; I140-Y173 HydrophobicContact CD1-CG 4.4Å; I140-Y173 HydrophobicContact CG2-CD2 3.95Å; I140-Y173 HydrophobicContact CG2-CE2 3.88Å; I140-Y173 HydrophobicContact CG2-CG 4.38Å; V142-Y173 WeakPolarHBondContact CG2-OH 3.4Å; I165-Y173 HydrophobicContact CD1-CD1 4.32Å; I165-Y173 HydrophobicContact CD1-CG 4.26Å; T167-Y173 HydrophobicContact CG2-CD1 4.36Å; T167-Y173 HydrophobicContact CG2-CE1 4.37Å; Y173-K185 CarbonylContact O-C 3.58Å; Y173-K185 WeakPolarHBondContact O-CA 3.48Å; Y173-V186 PolarHBondContact N-O 3.18Å; Y173-V186 PolarHBondContact O-N 3.29Å
174	W	98.8	Very high	97.9	Very high	5 Å²	5	21.8 Å²	21.8	2%	0.019	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	119.3	162.3	-71.3	88.9	0	0	0	108.1	I165 T166 D168 V183 L184 K185 L196 V217 V219 I226	I165-W174 CarbonylContact C-O 3.56Å; I165-W174 VanDerWaalsContact CA-O 3.31Å; I165-W174 WeakPolarHBondContact CA-O 3.34Å; T166-W174 PolarHBondContact N-O 2.83Å; T166-W174 PolarHBondContact O-N 2.86Å; D168-W174 PolarHBondContact OD2-NE1 3.49Å; D168-W174 VanDerWaalsContact OD2-NE1 3.15Å; W174-V183 HydrophobicContact CE3-CG1 4.15Å; W174-L184 WeakPolarHBondContact CA-O 3.48Å; W174-K185 HydrophobicContact CD2-CB 3.98Å; W174-K185 HydrophobicContact CD2-CG 4.27Å; W174-K185 HydrophobicContact CE3-CB 3.97Å; W174-K185 HydrophobicContact CH2-CB 3.87Å; W174-K185 HydrophobicContact CH2-CD 4.16Å; W174-K185 HydrophobicContact CH2-CG 4.46Å; W174-K185 HydrophobicContact CZ2-CB 3.91Å; W174-K185 HydrophobicContact CZ2-CD 3.49Å; W174-K185 VanDerWaalsContact CZ2-CD 3.49Å; W174-K185 HydrophobicContact CZ2-CG 4.01Å; W174-K185 HydrophobicContact CZ3-CB 3.9Å; W174-L196 HydrophobicContact CH2-CD1 4.35Å; W174-L196 HydrophobicContact CH2-CD2 4Å; W174-L196 HydrophobicContact CZ3-CD2 3.95Å; W174-V217 HydrophobicContact CB-CB 4.1Å; W174-V217 HydrophobicContact CB-CG1 3.94Å; W174-V217 HydrophobicContact CB-CG2 4.35Å; W174-V217 HydrophobicContact CE3-CG1 4.48Å; W174-V217 HydrophobicContact CG-CG1 4.35Å; W174-V219 HydrophobicContact CD2-CG2 4.42Å; W174-V219 HydrophobicContact CG-CG2 4.04Å; W174-I226 HydrophobicContact CE3-CG2 4.12Å; W174-I226 HydrophobicContact CH2-CD1 3.18Å; W174-I226 HydrophobicContact CH2-CG1 3.67Å; W174-I226 HydrophobicContact CH2-CG2 4.49Å; W174-I226 HydrophobicContact CZ2-CD1 3.81Å; W174-I226 HydrophobicContact CZ2-CG1 3.84Å; W174-I226 HydrophobicContact CZ3-CD1 3.68Å; W174-I226 HydrophobicContact CZ3-CG1 4.11Å; W174-I226 HydrophobicContact CZ3-CG2 4.09Å
175	V	98.9	Very high	97.9	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	147.2	-173.8	-72.1	0	0	0	0	111.5	F109 I140 F159 G164 I165 V183 L184 V186	F109-V175 HydrophobicContact CD1-CB 4.43Å; F109-V175 HydrophobicContact CD1-CG1 4.03Å; F109-V175 HydrophobicContact CE1-CB 3.67Å; F109-V175 HydrophobicContact CE1-CG1 3.7Å; F109-V175 HydrophobicContact CE2-CG1 4.41Å; F109-V175 HydrophobicContact CZ-CB 3.88Å; F109-V175 HydrophobicContact CZ-CG1 3.91Å; F109-V175 HydrophobicContact CZ-CG2 4.45Å; I140-V175 HydrophobicContact CD1-CG1 4.29Å; F159-V175 HydrophobicContact CE1-CG2 3.61Å; F159-V175 HydrophobicContact CZ-CG2 3.84Å; G164-V175 WeakPolarHBondContact O-CA 3.38Å; I165-V175 HydrophobicContact CB-CG1 3.97Å; I165-V175 HydrophobicContact CD1-CG1 3.74Å; I165-V175 HydrophobicContact CG1-CG1 3.62Å; V175-V183 CarbonylContact O-C 3.53Å; V175-V183 WeakPolarHBondContact O-CA 3.25Å; V175-L184 HydrophobicContact CG2-CB 4.01Å; V175-L184 WeakPolarHBondContact CG2-O 3.37Å; V175-L184 PolarHBondContact N-O 3.48Å; V175-L184 PolarHBondContact O-N 3.29Å; V175-V186 HydrophobicContact CG2-CG2 4.08Å
176	T	98.9	Very high	97.9	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	144.8	171.3	61.8	0	0	0	0	111.1	H163 G164 V183 P214 T215 V217	H163-T176 WeakPolarHBondContact CB-OG1 3.26Å; H163-T176 PolarHBondContact N-O 3.04Å; G164-T176 PolarHBondContact N-OG1 2.75Å; G164-T176 PolarHBondContact O-N 3.41Å; G164-T176 VanDerWaalsContact O-N 3.12Å; T176-V183 HydrophobicContact CG2-CG2 3.95Å; T176-P214 HydrophobicContact CG2-CB 4.38Å; T176-T215 PolarHBondContact OG1-O 2.79Å; T176-V217 HydrophobicContact CG2-CG2 3.59Å
177	D	98.9	Very high	97.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	119.1	171.5	-175.9	-54.6	0	0	0	109.8	F159 Y160 L161 A179 L180 H181 Q182	F159-D177 WeakPolarHBondContact CA-OD2 3.45Å; F159-D177 WeakPolarHBondContact CB-OD2 3.36Å; Y160-D177 PolarHBondContact N-OD2 3.42Å; L161-D177 PolarHBondContact N-OD1 3.45Å; L161-D177 PolarHBondContact N-OD2 2.74Å; L161-D177 WeakPolarHBondContact O-CA 3.24Å; D177-A179 VanDerWaalsContact C-N 3.34Å; D177-A179 PolarHBondContact O-N 2.89Å; D177-A179 WeakPolarHBondContact OD1-CA 3.21Å; D177-A179 WeakPolarHBondContact OD1-CB 3.4Å; D177-A179 PolarHBondContact OD1-N 2.79Å; D177-L180 HydrophobicContact CB-CB 4.03Å; D177-L180 HydrophobicContact CB-CD1 3.97Å; D177-L180 HydrophobicContact CB-CG 4.19Å; D177-L180 PolarHBondContact OD1-N 3.5Å; D177-H181 PolarHBondContact O-N 3.39Å; D177-Q182 PolarHBondContact N-O 3.06Å; D177-Q182 PolarHBondContact O-N 2.94Å
178	V	98.8	Very high	97.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-21.1	-174.5	-67.5	0	0	0	0	113.1	W116 F121 L161 H163 Q213 P214 Y232	W116-V178 HydrophobicContact CD2-CG2 4.38Å; W116-V178 HydrophobicContact CE3-CG2 3.89Å; W116-V178 HydrophobicContact CH2-CB 4.14Å; W116-V178 HydrophobicContact CH2-CG1 4.06Å; W116-V178 HydrophobicContact CH2-CG2 3.93Å; W116-V178 HydrophobicContact CZ2-CG2 4.44Å; W116-V178 HydrophobicContact CZ3-CB 4.23Å; W116-V178 HydrophobicContact CZ3-CG1 4Å; W116-V178 HydrophobicContact CZ3-CG2 3.66Å; F121-V178 WeakPolarHBondContact CE1-O 3.35Å; F121-V178 HydrophobicContact CE2-CG2 4.4Å; F121-V178 HydrophobicContact CZ-CB 4.29Å; F121-V178 HydrophobicContact CZ-CG2 4.07Å; F121-V178 VanDerWaalsContact CZ-O 3.31Å; F121-V178 WeakPolarHBondContact CZ-O 3.24Å; L161-V178 HydrophobicContact CB-CG2 3.56Å; L161-V178 HydrophobicContact CD1-CG2 4.11Å; L161-V178 WeakPolarHBondContact O-CG2 3.48Å; L161-V178 PolarHBondContact O-N 3.22Å; L161-V178 VanDerWaalsContact O-N 3.1Å; H163-V178 HydrophobicContact CB-CG1 4.01Å; V178-Q213 HydrophobicContact CB-CB 4.06Å; V178-Q213 HydrophobicContact CB-CG 4.19Å; V178-Q213 HydrophobicContact CG1-CB 4.07Å; V178-P214 WeakPolarHBondContact CG1-O 3.49Å; V178-Y232 HydrophobicContact CG1-CD2 4.47Å
179	A	98.8	Very high	97.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-32.8	176.7	0	0	0	0	0	112.1	F121 Y127 L161 D177 H181 F202	F121-A179 HydrophobicContact CZ-CB 4.23Å; Y127-A179 HydrophobicContact CD1-CB 3.93Å; Y127-A179 HydrophobicContact CD2-CB 3.42Å; Y127-A179 VanDerWaalsContact CD2-CB 3.42Å; Y127-A179 HydrophobicContact CE1-CB 4.21Å; Y127-A179 HydrophobicContact CE2-CB 3.75Å; Y127-A179 HydrophobicContact CG-CB 3.5Å; L161-A179 HydrophobicContact CB-CB 3.82Å; L161-A179 HydrophobicContact CD1-CB 4.16Å; L161-A179 HydrophobicContact CG-CB 3.98Å; D177-A179 VanDerWaalsContact C-N 3.34Å; D177-A179 PolarHBondContact O-N 2.89Å; D177-A179 WeakPolarHBondContact OD1-CA 3.21Å; D177-A179 WeakPolarHBondContact OD1-CB 3.4Å; D177-A179 PolarHBondContact OD1-N 2.79Å; A179-H181 PolarHBondContact O-CD2 2.77Å; A179-F202 VanDerWaalsContact O-CD1 3.24Å; A179-F202 WeakPolarHBondContact O-CD1 3.32Å
180	L	98.8	Very high	96.8	Very high	11 Å²	11	18.2 Å²	18.2	6%	0.058	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-23.6	170.7	-67.1	175	0	0	0	112.4	Y160 D177 Q182 A201 F202	Y160-L180 HydrophobicContact CD2-CD2 3.84Å; Y160-L180 HydrophobicContact CD2-CG 4.18Å; Y160-L180 HydrophobicContact CE2-CD2 4.21Å; D177-L180 HydrophobicContact CB-CB 4.03Å; D177-L180 HydrophobicContact CB-CD1 3.97Å; D177-L180 HydrophobicContact CB-CG 4.19Å; D177-L180 PolarHBondContact OD1-N 3.5Å; L180-Q182 VanDerWaalsContact C-N 3.25Å; L180-Q182 HydrophobicContact CB-CB 4Å; L180-Q182 HydrophobicContact CB-CG 4.22Å; L180-A201 HydrophobicContact CD2-CB 4.37Å; L180-A201 CarbonylContact O-C 3.54Å; L180-A201 WeakPolarHBondContact O-CA 3.28Å; L180-F202 HydrophobicContact CD2-CD1 4.46Å; L180-F202 HydrophobicContact CD2-CD2 4.19Å; L180-F202 HydrophobicContact CD2-CE1 3.92Å; L180-F202 HydrophobicContact CD2-CE2 3.62Å; L180-F202 HydrophobicContact CD2-CZ 3.48Å; L180-F202 VanDerWaalsContact CD2-CZ 3.48Å; L180-F202 PolarHBondContact O-N 2.86Å
181	H	98.8	Very high	96.5	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	35.1	-170.2	-52.7	-95.7	0	0	0	112.5	A125 D177 A179 Q213	A125-H181 PolarHBondContact O-CE1 2.84Å; A125-H181 PolarHBondContact O-NE2 3.35Å; A125-H181 VanDerWaalsContact O-NE2 3.16Å; D177-H181 PolarHBondContact O-N 3.39Å; A179-H181 PolarHBondContact O-CD2 2.77Å; H181-Q213 PolarHBondContact ND1-N 3.27Å
182	Q	98.9	Very high	96.2	Very high	22 Å²	22	21.1 Å²	21.1	10%	0.103	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	157.1	-170.3	-74.8	-175.9	-47.5	0	0	112.9	D177 L180 L184 V197 L198 G199	D177-Q182 PolarHBondContact N-O 3.06Å; D177-Q182 PolarHBondContact O-N 2.94Å; L180-Q182 VanDerWaalsContact C-N 3.25Å; L180-Q182 HydrophobicContact CB-CB 4Å; L180-Q182 HydrophobicContact CB-CG 4.22Å; Q182-L184 HydrophobicContact CB-CD1 4Å; Q182-V197 HydrophobicContact CG-CG1 4.38Å; Q182-L198 VanDerWaalsContact CA-O 3.27Å; Q182-L198 WeakPolarHBondContact CA-O 3.4Å; Q182-L198 WeakPolarHBondContact CB-O 3.26Å; Q182-G199 PolarHBondContact NE2-O 2.74Å
183	V	98.9	Very high	96.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	136	163.7	-177.6	0	0	0	0	108.1	W174 V175 T176 V197 L198 F211 P214 V217 V228	W174-V183 HydrophobicContact CE3-CG1 4.15Å; V175-V183 CarbonylContact O-C 3.53Å; V175-V183 WeakPolarHBondContact O-CA 3.25Å; T176-V183 HydrophobicContact CG2-CG2 3.95Å; V183-V197 WeakPolarHBondContact O-CA 3.16Å; V183-L198 HydrophobicContact CB-CB 4.28Å; V183-L198 PolarHBondContact N-O 2.9Å; V183-L198 PolarHBondContact O-N 2.94Å; V183-F211 HydrophobicContact CB-CE2 4.27Å; V183-F211 HydrophobicContact CG2-CD2 4.27Å; V183-F211 HydrophobicContact CG2-CE2 3.73Å; V183-F211 HydrophobicContact CG2-CZ 3.96Å; V183-P214 HydrophobicContact CG2-CB 4.24Å; V183-P214 HydrophobicContact CG2-CG 4.38Å; V183-V217 HydrophobicContact CG1-CG2 3.52Å; V183-V217 HydrophobicContact CG2-CG2 4.48Å; V183-V228 HydrophobicContact CG1-CG2 4.47Å; V183-V228 HydrophobicContact CG2-CG1 3.65Å; V183-V228 HydrophobicContact CG2-CG2 4Å
184	L	98.8	Very high	96.1	Very high	10 Å²	10	29.6 Å²	29.6	5%	0.052	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	136	-177.9	-54.5	89.1	0	0	0	110.2	F159 W174 V175 Q182 V186 T194 L196 V197	F159-L184 HydrophobicContact CE1-CD1 4.46Å; W174-L184 WeakPolarHBondContact CA-O 3.48Å; V175-L184 HydrophobicContact CG2-CB 4.01Å; V175-L184 WeakPolarHBondContact CG2-O 3.37Å; V175-L184 PolarHBondContact N-O 3.48Å; V175-L184 PolarHBondContact O-N 3.29Å; Q182-L184 HydrophobicContact CB-CD1 4Å; L184-V186 HydrophobicContact CB-CG2 4.07Å; L184-T194 HydrophobicContact CB-CG2 4.37Å; L184-T194 HydrophobicContact CD2-CG2 4.07Å; L184-L196 WeakPolarHBondContact CA-O 3.41Å; L184-V197 HydrophobicContact CD2-CG2 4.38Å; L184-V197 HydrophobicContact CG-CG2 4.47Å
185	K	98.6	Very high	96	Very high	28 Å²	28	32.6 Å²	32.6	12%	0.122	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	125	159.4	-175.7	175.1	163.4	150.5	0	107.5	D168 E170 N172 Y173 W174 L195 L196	D168-K185 WeakPolarHBondContact OD2-CE 3.43Å; D168-K185 IonicContact OD2-NZ 2.67Å; D168-K185 PolarHBondContact OD2-NZ 3.23Å; E170-K185 IonicContact OE2-NZ 2.89Å; E170-K185 PolarHBondContact OE2-NZ 3.43Å; N172-K185 HydrophobicContact CB-CD 4.39Å; N172-K185 HydrophobicContact CB-CG 4.04Å; N172-K185 VanDerWaalsContact CG-CE 3.46Å; N172-K185 WeakPolarHBondContact ND2-CE 3.39Å; N172-K185 PolarHBondContact ND2-NZ 2.94Å; N172-K185 VanDerWaalsContact ND2-NZ 3.17Å; Y173-K185 CarbonylContact O-C 3.58Å; Y173-K185 WeakPolarHBondContact O-CA 3.48Å; W174-K185 HydrophobicContact CD2-CB 3.98Å; W174-K185 HydrophobicContact CD2-CG 4.27Å; W174-K185 HydrophobicContact CE3-CB 3.97Å; W174-K185 HydrophobicContact CH2-CB 3.87Å; W174-K185 HydrophobicContact CH2-CD 4.16Å; W174-K185 HydrophobicContact CH2-CG 4.46Å; W174-K185 HydrophobicContact CZ2-CB 3.91Å; W174-K185 HydrophobicContact CZ2-CD 3.49Å; W174-K185 VanDerWaalsContact CZ2-CD 3.49Å; W174-K185 HydrophobicContact CZ2-CG 4.01Å; W174-K185 HydrophobicContact CZ3-CB 3.9Å; K185-L195 HydrophobicContact CB-CB 4.28Å; K185-L195 HydrophobicContact CD-CB 4.36Å; K185-L195 HydrophobicContact CD-CD1 4.27Å; K185-L195 HydrophobicContact CG-CB 4.1Å; K185-L195 HydrophobicContact CG-CD1 4.13Å; K185-L195 PolarHBondContact O-N 2.86Å; K185-L196 HydrophobicContact CB-CB 3.92Å; K185-L196 PolarHBondContact N-O 2.87Å; K185-L196 PolarHBondContact O-N 3.16Å
186	V	98.1	Very high	96	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.018	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	139.6	-176.6	178.8	0	0	0	0	110	M158 F159 N172 Y173 V175 L184 G188	M158-V186 HydrophobicContact CE-CB 4.39Å; M158-V186 HydrophobicContact CE-CG1 3.76Å; M158-V186 HydrophobicContact CE-CG2 3.68Å; M158-V186 HydrophobicContact SD-CG1 3.99Å; F159-V186 HydrophobicContact CZ-CG2 4.29Å; N172-V186 WeakPolarHBondContact CA-O 3.23Å; N172-V186 WeakPolarHBondContact CB-O 3.39Å; Y173-V186 PolarHBondContact N-O 3.18Å; Y173-V186 PolarHBondContact O-N 3.29Å; V175-V186 HydrophobicContact CG2-CG2 4.08Å; L184-V186 HydrophobicContact CB-CG2 4.07Å; V186-G188 PolarHBondContact O-N 3.16Å
187	S	96.1	Very high	96	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.021	19%	0.186	C	C	.	.			trans	-68.4	126.4	-170.1	64.8	0	0	0	0	114.1	N172 D189 G190 R193	N172-S187 WeakPolarHBondContact OD1-CA 3.35Å; S187-D189 VanDerWaalsContact CB-OD1 3.28Å; S187-D189 WeakPolarHBondContact CB-OD1 3.37Å; S187-D189 PolarHBondContact O-N 2.95Å; S187-D189 VanDerWaalsContact O-N 3.08Å; S187-D189 PolarHBondContact OG-OD1 3.29Å; S187-G190 PolarHBondContact O-N 2.75Å; S187-R193 PolarHBondContact N-O 3.27Å; S187-R193 PolarHBondContact OG-O 3.01Å
188	G	94.2	Very high	96	Very high	11 Å²	11	38.1 Å²	38.1	11%	0.113	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-12.1	174.8	0	0	0	0	0	114.4	K152 N171 N172 V186 G190	K152-G188 PolarHBondContact NZ-O 2.81Å; N171-G188 WeakPolarHBondContact O-CA 3.21Å; N172-G188 PolarHBondContact OD1-N 3.02Å; V186-G188 PolarHBondContact O-N 3.16Å; G188-G190 PolarHBondContact O-N 3.4Å
189	D	90.3	Very high	96	Very high	59 Å²	59	39 Å²	39	32%	0.316	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-18	-180	73.6	-10	0	0	0	113.4	K152 S187 R191	K152-D189 WeakPolarHBondContact CE-O 3.39Å; K152-D189 PolarHBondContact NZ-O 3.16Å; S187-D189 VanDerWaalsContact CB-OD1 3.28Å; S187-D189 WeakPolarHBondContact CB-OD1 3.37Å; S187-D189 PolarHBondContact O-N 2.95Å; S187-D189 VanDerWaalsContact O-N 3.08Å; S187-D189 PolarHBondContact OG-OD1 3.29Å; D189-R191 WeakPolarHBondContact OD1-CB 3.45Å; D189-R191 PolarHBondContact OD1-N 2.78Å; D189-R191 VanDerWaalsContact OD2-CD 3.23Å; D189-R191 WeakPolarHBondContact OD2-CD 3.43Å; D189-R191 WeakPolarHBondContact OD2-CG 3.43Å; D189-R191 IonicContact OD2-CZ 3.19Å; D189-R191 IonicContact OD2-NE 3.93Å; D189-R191 IonicContact OD2-NH1 3.63Å; D189-R191 PolarHBondContact OD2-NH1 3.31Å
190	G	82.8	Confident	96	Very high	29 Å²	29	44.1 Å²	44.1	30%	0.299	22%	0.223	S	C	.	.	S	Bend	trans	82.9	23.4	-179.8	0	0	0	0	0	113.8	K152 S187 G188	K152-G190 VanDerWaalsContact CE-CA 3.48Å; S187-G190 PolarHBondContact O-N 2.75Å; G188-G190 PolarHBondContact O-N 3.4Å
191	R	87.2	Confident	95.9	Very high	195 Å²	195	45.5 Å²	45.5	74%	0.736	24%	0.236	S	C	*	.	S	Bend	trans	-97.9	15	173.2	-59.2	-173.8	-177.8	127.8	-11.6	113.4	D189 R193	D189-R191 WeakPolarHBondContact OD1-CB 3.45Å; D189-R191 PolarHBondContact OD1-N 2.78Å; D189-R191 VanDerWaalsContact OD2-CD 3.23Å; D189-R191 WeakPolarHBondContact OD2-CD 3.43Å; D189-R191 WeakPolarHBondContact OD2-CG 3.43Å; D189-R191 IonicContact OD2-CZ 3.19Å; D189-R191 IonicContact OD2-NE 3.93Å; D189-R191 IonicContact OD2-NH1 3.63Å; D189-R191 PolarHBondContact OD2-NH1 3.31Å; R191-R193 PolarHBondContact O-N 2.8Å; R191-R193 VanDerWaalsContact O-N 3.11Å
192	D	90.8	Very high	95.9	Very high	48 Å²	48	46.7 Å²	46.7	26%	0.257	24%	0.241	S	C	.	.			trans	48.5	38.1	178.4	-66.5	-0.7	0	0	0	113.6	S154 G155 R156 M158	S154-D192 VanDerWaalsContact CA-OD1 3.28Å; S154-D192 WeakPolarHBondContact CA-OD1 3.37Å; S154-D192 WeakPolarHBondContact CB-OD1 3.22Å; G155-D192 PolarHBondContact N-OD1 3.37Å; G155-D192 PolarHBondContact N-OD2 2.95Å; G155-D192 VanDerWaalsContact N-OD2 3.16Å; R156-D192 PolarHBondContact N-OD2 2.89Å; M158-D192 HydrophobicContact SD-CB 3.9Å
193	R	95.2	Very high	95.9	Very high	141 Å²	141	47.1 Å²	47.1	53%	0.532	25%	0.246	S	C	.	.			trans	-98.8	117.5	-178.1	175.6	179.6	61.4	139.6	0	110.9	S187 R191 L195	S187-R193 PolarHBondContact N-O 3.27Å; S187-R193 PolarHBondContact OG-O 3.01Å; R191-R193 PolarHBondContact O-N 2.8Å; R191-R193 VanDerWaalsContact O-N 3.11Å; R193-L195 HydrophobicContact CG-CD2 4.18Å; R193-L195 VanDerWaalsContact CZ-CD2 3.41Å
194	T	97.6	Very high	95.9	Very high	57 Å²	57	48.3 Å²	48.3	35%	0.35	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	130.8	163.8	-48	0	0	0	0	110.3	M158 L184 L196 V197	M158-T194 VanDerWaalsContact CE-OG1 3.23Å; M158-T194 WeakPolarHBondContact CE-OG1 3.45Å; L184-T194 HydrophobicContact CB-CG2 4.37Å; L184-T194 HydrophobicContact CD2-CG2 4.07Å; T194-L196 WeakPolarHBondContact CG2-O 3.26Å; T194-V197 HydrophobicContact CG2-CG2 3.45Å; T194-V197 VanDerWaalsContact CG2-CG2 3.45Å
195	L	97.8	Very high	95.9	Very high	67 Å²	67	48.5 Å²	48.5	35%	0.351	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-35.1	179.1	-58.6	-179.2	0	0	0	111.9	N172 K185 R193	N172-L195 HydrophobicContact CB-CD1 4.37Å; N172-L195 VanDerWaalsContact OD1-CD1 3.27Å; N172-L195 WeakPolarHBondContact OD1-CD1 3.44Å; K185-L195 HydrophobicContact CB-CB 4.28Å; K185-L195 HydrophobicContact CD-CB 4.36Å; K185-L195 HydrophobicContact CD-CD1 4.27Å; K185-L195 HydrophobicContact CG-CB 4.1Å; K185-L195 HydrophobicContact CG-CD1 4.13Å; K185-L195 PolarHBondContact O-N 2.86Å; R193-L195 HydrophobicContact CG-CD2 4.18Å; R193-L195 VanDerWaalsContact CZ-CD2 3.41Å
196	L	98.3	Very high	95.8	Very high	33 Å²	33	50.9 Å²	50.9	17%	0.173	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	149.4	-179.5	-169	146.1	0	0	0	109.8	W174 L184 K185 T194 L198 D243	W174-L196 HydrophobicContact CH2-CD1 4.35Å; W174-L196 HydrophobicContact CH2-CD2 4Å; W174-L196 HydrophobicContact CZ3-CD2 3.95Å; L184-L196 WeakPolarHBondContact CA-O 3.41Å; K185-L196 HydrophobicContact CB-CB 3.92Å; K185-L196 PolarHBondContact N-O 2.87Å; K185-L196 PolarHBondContact O-N 3.16Å; T194-L196 WeakPolarHBondContact CG2-O 3.26Å; L196-L198 HydrophobicContact CD2-CD1 4.38Å; L196-L198 HydrophobicContact CD2-CD2 3.86Å; L196-L198 HydrophobicContact CD2-CG 3.71Å; L196-D243 WeakPolarHBondContact CD1-O 3.31Å
197	V	98.7	Very high	95.8	Very high	67 Å²	67	54.3 Å²	54.3	41%	0.406	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	136.2	175.2	-178.7	0	0	0	0	109.6	Q182 V183 L184 T194	Q182-V197 HydrophobicContact CG-CG1 4.38Å; V183-V197 WeakPolarHBondContact O-CA 3.16Å; L184-V197 HydrophobicContact CD2-CG2 4.38Å; L184-V197 HydrophobicContact CG-CG2 4.47Å; T194-V197 HydrophobicContact CG2-CG2 3.45Å; T194-V197 VanDerWaalsContact CG2-CG2 3.45Å
198	L	98.8	Very high	95.9	Very high	17 Å²	17	57 Å²	57	9%	0.089	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	144.2	167.7	-55.6	173.7	0	0	0	108.5	Q182 V183 L196 F211 F240 G244	Q182-L198 VanDerWaalsContact CA-O 3.27Å; Q182-L198 WeakPolarHBondContact CA-O 3.4Å; Q182-L198 WeakPolarHBondContact CB-O 3.26Å; V183-L198 HydrophobicContact CB-CB 4.28Å; V183-L198 PolarHBondContact N-O 2.9Å; V183-L198 PolarHBondContact O-N 2.94Å; L196-L198 HydrophobicContact CD2-CD1 4.38Å; L196-L198 HydrophobicContact CD2-CD2 3.86Å; L196-L198 HydrophobicContact CD2-CG 3.71Å; L198-F211 HydrophobicContact CB-CE2 3.61Å; L198-F211 HydrophobicContact CB-CZ 3.93Å; L198-F211 HydrophobicContact CD1-CZ 4.47Å; L198-F240 HydrophobicContact CD1-CD1 4.09Å; L198-F240 HydrophobicContact CD1-CD2 3.83Å; L198-F240 HydrophobicContact CD1-CE1 4.21Å; L198-F240 HydrophobicContact CD1-CE2 3.94Å; L198-F240 HydrophobicContact CD1-CG 3.91Å; L198-F240 HydrophobicContact CD1-CZ 4.14Å; L198-F240 HydrophobicContact CD2-CD1 4.17Å; L198-F240 HydrophobicContact CD2-CE1 4.27Å; L198-G244 WeakPolarHBondContact CD2-O 3.41Å
199	G	98.4	Very high	96	Very high	19 Å²	19	63.6 Å²	63.6	20%	0.196	34%	0.34	C	S	.	.	S	Bend	trans	89.1	155.4	-173.5	0	0	0	0	0	113.8	Q182 E209	Q182-G199 PolarHBondContact NE2-O 2.74Å; G199-E209 VanDerWaalsContact CA-O 3.22Å; G199-E209 WeakPolarHBondContact CA-O 3.24Å; G199-E209 PolarHBondContact N-O 2.85Å
200	E	98.5	Very high	96.4	Very high	107 Å²	107	62.3 Å²	62.3	50%	0.5	33%	0.332	S	S	.	.			trans	-95.7	128.5	171.3	-171.6	-168	104.1	0	0	111.2	F202 T203	E200-F202 PolarHBondContact O-N 2.87Å; E200-T203 PolarHBondContact O-N 3.04Å; E200-T203 WeakPolarHBondContact OE1-CB 3.15Å; E200-T203 PolarHBondContact OE1-OG1 2.76Å
201	A	98.4	Very high	97.1	Very high	40 Å²	40	61 Å²	61	33%	0.331	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	119.1	-173.6	0	0	0	0	0	113.3	L180 T203	L180-A201 HydrophobicContact CD2-CB 4.37Å; L180-A201 CarbonylContact O-C 3.54Å; L180-A201 WeakPolarHBondContact O-CA 3.28Å; A201-T203 VanDerWaalsContact C-N 3.29Å
202	F	98.6	Very high	97.7	Very high	24 Å²	24	52.3 Å²	52.3	11%	0.105	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	70	12.4	-176.8	-49.2	-85.3	0	0	0	115.5	Y127 R130 Y160 A179 L180 E200 P204	Y127-F202 HydrophobicContact CD1-CD1 4.3Å; Y127-F202 HydrophobicContact CD1-CE1 4.02Å; R130-F202 HydrophobicContact CB-CE1 4.26Å; R130-F202 HydrophobicContact CG-CD1 4.44Å; R130-F202 HydrophobicContact CG-CE1 3.89Å; R130-F202 HydrophobicContact CG-CE2 4.31Å; R130-F202 HydrophobicContact CG-CZ 3.8Å; R130-F202 VanDerWaalsContact NE-CE2 3.35Å; Y160-F202 HydrophobicContact CD1-CE1 4.25Å; Y160-F202 HydrophobicContact CD1-CZ 4.34Å; Y160-F202 HydrophobicContact CD2-CE1 4.21Å; Y160-F202 AromaticContact CD2-CZ 3.85Å; Y160-F202 HydrophobicContact CD2-CZ 3.85Å; Y160-F202 HydrophobicContact CE1-CE1 4.32Å; Y160-F202 HydrophobicContact CE1-CZ 4.06Å; Y160-F202 HydrophobicContact CE2-CE1 4.34Å; Y160-F202 AromaticContact CE2-CZ 3.59Å; Y160-F202 HydrophobicContact CE2-CZ 3.59Å; Y160-F202 HydrophobicContact CG-CE1 4.17Å; Y160-F202 HydrophobicContact CG-CZ 4.22Å; Y160-F202 AromaticContact CZ-CZ 3.68Å; A179-F202 VanDerWaalsContact O-CD1 3.24Å; A179-F202 WeakPolarHBondContact O-CD1 3.32Å; L180-F202 HydrophobicContact CD2-CD1 4.46Å; L180-F202 HydrophobicContact CD2-CD2 4.19Å; L180-F202 HydrophobicContact CD2-CE1 3.92Å; L180-F202 HydrophobicContact CD2-CE2 3.62Å; L180-F202 HydrophobicContact CD2-CZ 3.48Å; L180-F202 VanDerWaalsContact CD2-CZ 3.48Å; L180-F202 PolarHBondContact O-N 2.86Å; E200-F202 PolarHBondContact O-N 2.87Å; F202-P204 WeakPolarHBondContact O-CD 3.26Å
203	T	98.6	Very high	98.1	Very high	32 Å²	32	50.8 Å²	50.8	20%	0.196	28%	0.279	C	S	.	.			trans	-114.1	95	-178.2	-65	0	0	0	0	110.7	E200 A201 H210	E200-T203 PolarHBondContact O-N 3.04Å; E200-T203 WeakPolarHBondContact OE1-CB 3.15Å; E200-T203 PolarHBondContact OE1-OG1 2.76Å; A201-T203 VanDerWaalsContact C-N 3.29Å; T203-H210 PolarHBondContact O-CD2 2.82Å
204	P	98.6	Very high	98.2	Very high	24 Å²	24	44 Å²	44	16%	0.156	25%	0.253	C	S	.	.			trans	-65.1	137.7	172.3	21.4	-29.8	0	0	0	112.1	Q124 A125 R126 F202 F211	Q124-P204 WeakPolarHBondContact O-CG 3.17Å; A125-P204 HydrophobicContact CB-CB 4.4Å; R126-P204 HydrophobicContact CG-CG 3.78Å; F202-P204 WeakPolarHBondContact O-CD 3.26Å; P204-F211 WeakPolarHBondContact CA-O 3.31Å
205	G	98.2	Very high	98.3	Very high	15 Å²	15	41.3 Å²	41.3	16%	0.155	24%	0.237	C	C	.	.			trans	-159.1	-179.6	174.9	0	0	0	0	0	113.7	F211 C212 N234	G205-F211 PolarHBondContact N-O 2.88Å; G205-F211 CarbonylContact O-C 3.13Å; G205-C212 PolarHBondContact O-N 2.77Å; G205-N234 PolarHBondContact O-ND2 3.47Å
206	S	97.8	Very high	98.4	Very high	77 Å²	77	38.5 Å²	38.5	54%	0.538	22%	0.222	S	C	.	.			trans	-136.7	13.2	-173.4	-49.5	0	0	0	0	113.3	N234 R236	S206-N234 WeakPolarHBondContact CB-OD1 3.3Å; S206-N234 PolarHBondContact OG-OD1 3.5Å; S206-R236 PolarHBondContact O-NH1 3.13Å
207	D	97.6	Very high	98.4	Very high	76 Å²	76	36.9 Å²	36.9	41%	0.406	21%	0.214	S	C	.	.	S	Bend	trans	-88.9	-169	172.4	56.9	58.3	0	0	0	111.1	E209 H210 R236	D207-E209 VanDerWaalsContact C-N 3.32Å; D207-E209 PolarHBondContact O-N 2.73Å; D207-E209 PolarHBondContact OD1-N 3.23Å; D207-H210 VanDerWaalsContact CG-ND1 3.32Å; D207-H210 IonicContact OD1-CG 2.65Å; D207-H210 PolarHBondContact OD1-N 2.8Å; D207-H210 IonicContact OD1-ND1 3.91Å; D207-H210 PolarHBondContact OD1-ND1 2.92Å; D207-H210 IonicContact OD2-CE1 3.51Å; D207-H210 IonicContact OD2-CG 3.18Å; D207-H210 IonicContact OD2-ND1 3.68Å; D207-H210 PolarHBondContact OD2-ND1 3.21Å; D207-R236 PolarHBondContact O-NH1 2.92Å; D207-R236 PolarHBondContact O-NH2 3.26Å
208	T	96.9	Very high	98.4	Very high	59 Å²	59	33.9 Å²	33.9	36%	0.362	20%	0.196	S	C	.	.	S	Bend	trans	-78	-11.5	-176.4	48.5	0	0	0	0	114.6	Y246	T208-Y246 HydrophobicContact CG2-CD1 3.92Å; T208-Y246 HydrophobicContact CG2-CD2 4.06Å; T208-Y246 HydrophobicContact CG2-CE1 3.65Å; T208-Y246 HydrophobicContact CG2-CE2 3.78Å; T208-Y246 HydrophobicContact CG2-CG 4.12Å
209	E	96.9	Very high	98.3	Very high	149 Å²	149	33.9 Å²	33.9	70%	0.696	20%	0.196	S	C	*	.	S	Bend	trans	-109.6	-23.2	-174.7	-63.2	-179.4	171.6	0	0	112.1	G199 D207	G199-E209 VanDerWaalsContact CA-O 3.22Å; G199-E209 WeakPolarHBondContact CA-O 3.24Å; G199-E209 PolarHBondContact N-O 2.85Å; D207-E209 VanDerWaalsContact C-N 3.32Å; D207-E209 PolarHBondContact O-N 2.73Å; D207-E209 PolarHBondContact OD1-N 3.23Å
210	H	98.6	Very high	98.3	Very high	32 Å²	32	33.4 Å²	33.4	15%	0.148	19%	0.189	C	C	.	.			trans	-108.8	152.2	178.6	-58.7	85.8	0	0	0	113.6	T203 D207 R236	T203-H210 PolarHBondContact O-CD2 2.82Å; D207-H210 VanDerWaalsContact CG-ND1 3.32Å; D207-H210 IonicContact OD1-CG 2.65Å; D207-H210 PolarHBondContact OD1-N 2.8Å; D207-H210 IonicContact OD1-ND1 3.91Å; D207-H210 PolarHBondContact OD1-ND1 2.92Å; D207-H210 IonicContact OD2-CE1 3.51Å; D207-H210 IonicContact OD2-CG 3.18Å; D207-H210 IonicContact OD2-ND1 3.68Å; D207-H210 PolarHBondContact OD2-ND1 3.21Å; H210-R236 PolarHBondContact O-NH2 2.86Å
211	F	98.9	Very high	98.2	Very high	3 Å²	3	30.2 Å²	30.2	1%	0.013	18%	0.178	C	C	.	.			trans	-112	167.8	166.6	-55.7	-72.9	0	0	0	111.2	V183 L198 P204 G205 P214 V228 D230 L238 F240	V183-F211 HydrophobicContact CB-CE2 4.27Å; V183-F211 HydrophobicContact CG2-CD2 4.27Å; V183-F211 HydrophobicContact CG2-CE2 3.73Å; V183-F211 HydrophobicContact CG2-CZ 3.96Å; L198-F211 HydrophobicContact CB-CE2 3.61Å; L198-F211 HydrophobicContact CB-CZ 3.93Å; L198-F211 HydrophobicContact CD1-CZ 4.47Å; P204-F211 WeakPolarHBondContact CA-O 3.31Å; G205-F211 PolarHBondContact N-O 2.88Å; G205-F211 CarbonylContact O-C 3.13Å; F211-P214 HydrophobicContact CB-CB 3.98Å; F211-P214 HydrophobicContact CB-CG 3.88Å; F211-P214 HydrophobicContact CD1-CB 4.41Å; F211-P214 HydrophobicContact CD2-CG 4.31Å; F211-P214 HydrophobicContact CG-CB 4.08Å; F211-P214 HydrophobicContact CG-CG 4.18Å; F211-V228 HydrophobicContact CD1-CG1 4.15Å; F211-V228 HydrophobicContact CE1-CB 4.09Å; F211-V228 HydrophobicContact CE1-CG1 3.63Å; F211-V228 HydrophobicContact CE1-CG2 4.49Å; F211-V228 HydrophobicContact CZ-CB 4.39Å; F211-V228 HydrophobicContact CZ-CG1 4.01Å; F211-V228 HydrophobicContact CZ-CG2 4.31Å; F211-D230 HydrophobicContact CD1-CB 4.01Å; F211-L238 HydrophobicContact CD1-CD1 4.18Å; F211-L238 HydrophobicContact CD1-CD2 4.46Å; F211-L238 HydrophobicContact CE1-CD1 3.99Å; F211-L238 HydrophobicContact CE1-CD2 3.95Å; F211-L238 HydrophobicContact CE1-CG 4.45Å; F211-F240 HydrophobicContact CE1-CE2 4.05Å; F211-F240 AromaticContact CE1-CZ 3.97Å; F211-F240 HydrophobicContact CE1-CZ 3.97Å; F211-F240 AromaticContact CZ-CE2 3.85Å; F211-F240 HydrophobicContact CZ-CE2 3.85Å; F211-F240 AromaticContact CZ-CZ 3.68Å; F211-F240 HydrophobicContact CZ-CZ 3.68Å
212	C	98.6	Very high	98	Very high	11 Å²	11	35.2 Å²	35.2	7%	0.074	19%	0.194	C	C	.	.	S	Bend	trans	-128.2	87.2	171.1	-157.7	0	0	0	0	109.5	G205 D230 C233 N234	G205-C212 PolarHBondContact O-N 2.77Å; C212-D230 PolarHBondContact N-OD1 3.41Å; C212-C233 VanDerWaalsContact CA-SG 3.59Å; C212-C233 HydrophobicContact CB-CB 4Å; C212-C233 WeakPolarHBondContact CB-SG 3.35Å; C212-C233 PolarHBondContact O-N 2.83Å; C212-C233 PolarHBondContact O-SG 3.18Å; C212-C233 WeakPolarHBondContact SG-CB 3.38Å; C212-C233 CovalentContact SG-SG 2.03Å; C212-C233 PolarHBondContact SG-SG 2.85Å; C212-N234 HydrophobicContact CB-CB 4.28Å; C212-N234 WeakPolarHBondContact CB-ND2 3.45Å; C212-N234 PolarHBondContact N-ND2 3.1Å
213	Q	98.7	Very high	97.9	Very high	16 Å²	16	37.2 Å²	37.2	8%	0.075	21%	0.208	C	C	.	.	S	Bend	trans	59	69.4	-176.2	-63.9	174.4	-44.7	0	0	110.4	F121 V178 H181 Y232 C233	F121-Q213 VanDerWaalsContact CD1-NE2 3.31Å; F121-Q213 HydrophobicContact CE1-CG 4.28Å; F121-Q213 VanDerWaalsContact CE1-NE2 3.27Å; F121-Q213 HydrophobicContact CZ-CG 4.43Å; F121-Q213 VanDerWaalsContact CZ-NE2 3.29Å; V178-Q213 HydrophobicContact CB-CB 4.06Å; V178-Q213 HydrophobicContact CB-CG 4.19Å; V178-Q213 HydrophobicContact CG1-CB 4.07Å; H181-Q213 PolarHBondContact ND1-N 3.27Å; Q213-Y232 HydrophobicContact CB-CD2 4.33Å; Q213-Y232 HydrophobicContact CB-CG 4.44Å; Q213-Y232 VanDerWaalsContact OE1-CB 3.31Å; Q213-C233 PolarHBondContact OE1-SG 2.85Å
214	P	98.8	Very high	97.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	142.1	179.6	29.6	-33.4	0	0	0	110.1	T176 V178 V183 F211 V228 S229	T176-P214 HydrophobicContact CG2-CB 4.38Å; V178-P214 WeakPolarHBondContact CG1-O 3.49Å; V183-P214 HydrophobicContact CG2-CB 4.24Å; V183-P214 HydrophobicContact CG2-CG 4.38Å; F211-P214 HydrophobicContact CB-CB 3.98Å; F211-P214 HydrophobicContact CB-CG 3.88Å; F211-P214 HydrophobicContact CD1-CB 4.41Å; F211-P214 HydrophobicContact CD2-CG 4.31Å; F211-P214 HydrophobicContact CG-CB 4.08Å; F211-P214 HydrophobicContact CG-CG 4.18Å; P214-V228 HydrophobicContact CB-CG1 4.18Å; P214-S229 WeakPolarHBondContact CA-O 3.4Å
215	T	98.9	Very high	97.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	-51	-168.9	50.6	0	0	0	0	111.6	H163 G164 T176 S229 Y232 I265 P266 H267	H163-T215 PolarHBondContact ND1-O 2.86Å; G164-T215 WeakPolarHBondContact CA-O 3.35Å; G164-T215 PolarHBondContact N-O 3.35Å; G164-T215 VanDerWaalsContact N-O 3.09Å; T176-T215 PolarHBondContact OG1-O 2.79Å; T215-S229 PolarHBondContact N-O 2.89Å; T215-S229 VanDerWaalsContact OG1-CB 3.3Å; T215-S229 WeakPolarHBondContact OG1-CB 3.4Å; T215-S229 PolarHBondContact OG1-O 3.37Å; T215-S229 VanDerWaalsContact OG1-O 3.09Å; T215-S229 PolarHBondContact OG1-OG 2.73Å; T215-Y232 HydrophobicContact CG2-CD2 3.5Å; T215-Y232 HydrophobicContact CG2-CE2 3.62Å; T215-I265 HydrophobicContact CG2-CG2 4.47Å; T215-P266 PolarHBondContact OG1-O 3.5Å; T215-H267 WeakPolarHBondContact CB-O 3.45Å
216	D	98.9	Very high	97.9	Very high	7 Å²	7	36.9 Å²	36.9	4%	0.037	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	164.9	-169.7	-158.4	10.4	0	0	0	113.2	V228 S229 S268 L269	D216-V228 WeakPolarHBondContact O-CA 3.44Å; D216-S229 WeakPolarHBondContact CB-OG 3.24Å; D216-S229 PolarHBondContact N-OG 2.85Å; D216-S229 VanDerWaalsContact N-OG 3.13Å; D216-S229 PolarHBondContact O-N 3.01Å; D216-S229 PolarHBondContact O-OG 2.92Å; D216-S268 WeakPolarHBondContact OD2-CA 3.46Å; D216-S268 PolarHBondContact OD2-OG 2.93Å; D216-L269 PolarHBondContact OD2-N 2.95Å
217	V	98.8	Very high	97.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	131	178.8	-167	0	0	0	0	110.4	T166 W174 T176 V183 V219 I226 F227	T166-V217 WeakPolarHBondContact CB-O 3.37Å; T166-V217 PolarHBondContact OG1-O 2.8Å; W174-V217 HydrophobicContact CB-CB 4.1Å; W174-V217 HydrophobicContact CB-CG1 3.94Å; W174-V217 HydrophobicContact CB-CG2 4.35Å; W174-V217 HydrophobicContact CE3-CG1 4.48Å; W174-V217 HydrophobicContact CG-CG1 4.35Å; T176-V217 HydrophobicContact CG2-CG2 3.59Å; V183-V217 HydrophobicContact CG1-CG2 3.52Å; V183-V217 HydrophobicContact CG2-CG2 4.48Å; V217-V219 HydrophobicContact CG1-CG2 4.3Å; V217-I226 HydrophobicContact CG1-CG2 3.52Å; V217-F227 CarbonylContact C-O 3.52Å; V217-F227 VanDerWaalsContact CA-O 3.28Å; V217-F227 WeakPolarHBondContact CA-O 3.28Å
218	A	98.6	Very high	98	Very high	4 Å²	4	29.7 Å²	29.7	3%	0.033	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	151.9	161	0	0	0	0	0	110	F227 L269 F271 V278	A218-F227 HydrophobicContact CB-CB 4.45Å; A218-F227 PolarHBondContact N-O 2.88Å; A218-F227 PolarHBondContact O-N 2.7Å; A218-L269 HydrophobicContact CB-CB 3.78Å; A218-F271 HydrophobicContact CB-CB 4.15Å; A218-V278 HydrophobicContact CB-CG2 4.49Å
219	V	98.3	Very high	98.1	Very high	16 Å²	16	26.9 Å²	26.9	10%	0.097	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	135.4	-179.8	-176.7	0	0	0	0	109	T166 W174 V217 P221 N225	T166-V219 HydrophobicContact CG2-CG2 4.38Å; W174-V219 HydrophobicContact CD2-CG2 4.42Å; W174-V219 HydrophobicContact CG-CG2 4.04Å; V217-V219 HydrophobicContact CG1-CG2 4.3Å; V219-P221 VanDerWaalsContact O-CD 3.31Å; V219-P221 WeakPolarHBondContact O-CD 3.35Å; V219-N225 WeakPolarHBondContact CA-O 3.5Å
220	D	97.7	Very high	98.1	Very high	10 Å²	10	19.8 Å²	19.8	5%	0.053	10%	0.104	C	C	.	.			trans	-74.5	116.3	168.5	176.8	8.6	0	0	0	109.5	E222 T223 Q224 N225 F227 F271 K276	D220-E222 PolarHBondContact O-N 2.88Å; D220-E222 VanDerWaalsContact O-N 3.13Å; D220-E222 PolarHBondContact OD1-N 2.04Å; D220-T223 WeakPolarHBondContact CB-OG1 3.06Å; D220-T223 VanDerWaalsContact CG-OG1 3.29Å; D220-T223 WeakPolarHBondContact OD2-CB 3.3Å; D220-T223 WeakPolarHBondContact OD2-CG2 3.48Å; D220-T223 PolarHBondContact OD2-N 3.22Å; D220-T223 PolarHBondContact OD2-OG1 3.21Å; D220-Q224 WeakPolarHBondContact O-CA 3.19Å; D220-Q224 PolarHBondContact O-N 2.65Å; D220-N225 PolarHBondContact N-O 3.18Å; D220-F227 HydrophobicContact CB-CE2 4.19Å; D220-F271 HydrophobicContact CB-CD1 4.47Å; D220-F271 HydrophobicContact CB-CD2 4.23Å; D220-F271 HydrophobicContact CB-CE1 3.92Å; D220-F271 HydrophobicContact CB-CE2 3.64Å; D220-F271 HydrophobicContact CB-CZ 3.47Å; D220-F271 VanDerWaalsContact CB-CZ 3.47Å; D220-F271 VanDerWaalsContact OD1-CE1 3.24Å; D220-F271 WeakPolarHBondContact OD1-CE1 3.45Å; D220-F271 VanDerWaalsContact OD1-CZ 3.26Å; D220-F271 WeakPolarHBondContact OD1-CZ 3.27Å; D220-K276 IonicContact OD1-NZ 2.91Å; D220-K276 PolarHBondContact OD1-NZ 2.9Å; D220-K276 IonicContact OD2-NZ 2.78Å
221	P	95.3	Very high	98	Very high	40 Å²	40	18.3 Å²	18.3	26%	0.26	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-23.3	178.3	22.5	-33.2	0	0	0	114.2	Q169 V219 Q224 F271 P273	Q169-P221 HydrophobicContact CG-CB 4.23Å; Q169-P221 VanDerWaalsContact NE2-CB 3.3Å; Q169-P221 PolarHBondContact NE2-O 3.28Å; Q169-P221 PolarHBondContact OE1-O 3.15Å; V219-P221 VanDerWaalsContact O-CD 3.31Å; V219-P221 WeakPolarHBondContact O-CD 3.35Å; P221-Q224 PolarHBondContact O-NE2 2.77Å; P221-F271 HydrophobicContact CG-CE1 4.48Å; P221-P273 HydrophobicContact CG-CB 4.1Å; P221-P273 HydrophobicContact CG-CG 3.99Å
222	E	95.6	Very high	97.9	Very high	145 Å²	145	20.9 Å²	20.9	68%	0.678	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-53.4	-178.5	-171.8	178.3	162.3	0	0	112.7	D220 K276	D220-E222 PolarHBondContact O-N 2.88Å; D220-E222 VanDerWaalsContact O-N 3.13Å; D220-E222 PolarHBondContact OD1-N 2.04Å; E222-K276 VanDerWaalsContact OE2-CE 3.27Å; E222-K276 WeakPolarHBondContact OE2-CE 3.33Å; E222-K276 IonicContact OE2-NZ 3.53Å; E222-K276 PolarHBondContact OE2-NZ 2.91Å
223	T	96.4	Very high	97.8	Very high	65 Å²	65	22.9 Å²	22.9	40%	0.399	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-11	-177.8	61.9	0	0	0	0	114.1	D220 N225	D220-T223 WeakPolarHBondContact CB-OG1 3.06Å; D220-T223 VanDerWaalsContact CG-OG1 3.29Å; D220-T223 WeakPolarHBondContact OD2-CB 3.3Å; D220-T223 WeakPolarHBondContact OD2-CG2 3.48Å; D220-T223 PolarHBondContact OD2-N 3.22Å; D220-T223 PolarHBondContact OD2-OG1 3.21Å; T223-N225 WeakPolarHBondContact CB-ND2 3.14Å; T223-N225 PolarHBondContact O-N 3.2Å; T223-N225 VanDerWaalsContact O-N 3.11Å; T223-N225 WeakPolarHBondContact OG1-CB 3.35Å; T223-N225 PolarHBondContact OG1-N 2.69Å; T223-N225 PolarHBondContact OG1-ND2 2.86Å
224	Q	97.1	Very high	97.8	Very high	44 Å²	44	23.2 Å²	23.2	21%	0.206	12%	0.124	C	C	.	.			trans	55.1	19.6	-170	-58.9	-67.1	-50.9	0	0	113.4	D220 P221 A242	D220-Q224 WeakPolarHBondContact O-CA 3.19Å; D220-Q224 PolarHBondContact O-N 2.65Å; P221-Q224 PolarHBondContact O-NE2 2.77Å; Q224-A242 HydrophobicContact CB-CB 3.6Å; Q224-A242 VanDerWaalsContact O-CA 3.31Å; Q224-A242 WeakPolarHBondContact O-CA 3.41Å; Q224-A242 WeakPolarHBondContact O-CB 3.48Å
225	N	98.3	Very high	97.7	Very high	20 Å²	20	25.4 Å²	25.4	11%	0.107	14%	0.141	C	C	.	.			trans	-65.1	139.6	169.9	-79	-47.7	0	0	0	110.3	V219 D220 T223 F227 F240 L247	V219-N225 WeakPolarHBondContact CA-O 3.5Å; D220-N225 PolarHBondContact N-O 3.18Å; T223-N225 WeakPolarHBondContact CB-ND2 3.14Å; T223-N225 PolarHBondContact O-N 3.2Å; T223-N225 VanDerWaalsContact O-N 3.11Å; T223-N225 WeakPolarHBondContact OG1-CB 3.35Å; T223-N225 PolarHBondContact OG1-N 2.69Å; T223-N225 PolarHBondContact OG1-ND2 2.86Å; N225-F227 HydrophobicContact CB-CE2 4.11Å; N225-F227 HydrophobicContact CB-CZ 4.17Å; N225-F240 CarbonylContact C-O 3.57Å; N225-F240 WeakPolarHBondContact CA-O 3.21Å; N225-F240 PolarHBondContact OD1-O 3.18Å; N225-L247 WeakPolarHBondContact OD1-CD1 3.15Å
226	I	98.5	Very high	97.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	130.8	-174.1	-47.7	148.3	0	0	0	108.3	W174 V217 V228 K239 F240 A241	W174-I226 HydrophobicContact CE3-CG2 4.12Å; W174-I226 HydrophobicContact CH2-CD1 3.18Å; W174-I226 HydrophobicContact CH2-CG1 3.67Å; W174-I226 HydrophobicContact CH2-CG2 4.49Å; W174-I226 HydrophobicContact CZ2-CD1 3.81Å; W174-I226 HydrophobicContact CZ2-CG1 3.84Å; W174-I226 HydrophobicContact CZ3-CD1 3.68Å; W174-I226 HydrophobicContact CZ3-CG1 4.11Å; W174-I226 HydrophobicContact CZ3-CG2 4.09Å; V217-I226 HydrophobicContact CG1-CG2 3.52Å; I226-V228 HydrophobicContact CG2-CG2 4.18Å; I226-K239 CarbonylContact O-C 3.55Å; I226-K239 WeakPolarHBondContact O-CA 3.24Å; I226-F240 HydrophobicContact CB-CB 4.3Å; I226-F240 HydrophobicContact CD1-CB 4.16Å; I226-F240 PolarHBondContact N-O 2.88Å; I226-F240 PolarHBondContact O-N 2.75Å; I226-A241 VanDerWaalsContact CD1-O 3.24Å; I226-A241 WeakPolarHBondContact CD1-O 3.43Å
227	F	98.9	Very high	97.7	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.009	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	123.3	177.3	-57.4	-87.6	0	0	0	108.8	V217 A218 D220 N225 L238 K239 W250 L269 F271 V278 A293	V217-F227 CarbonylContact C-O 3.52Å; V217-F227 VanDerWaalsContact CA-O 3.28Å; V217-F227 WeakPolarHBondContact CA-O 3.28Å; A218-F227 HydrophobicContact CB-CB 4.45Å; A218-F227 PolarHBondContact N-O 2.88Å; A218-F227 PolarHBondContact O-N 2.7Å; D220-F227 HydrophobicContact CB-CE2 4.19Å; N225-F227 HydrophobicContact CB-CE2 4.11Å; N225-F227 HydrophobicContact CB-CZ 4.17Å; F227-L238 CarbonylContact C-O 3.48Å; F227-L238 WeakPolarHBondContact CA-O 3.42Å; F227-K239 HydrophobicContact CD1-CB 4.15Å; F227-K239 HydrophobicContact CD1-CG 4.1Å; F227-K239 HydrophobicContact CE1-CB 4.12Å; F227-K239 HydrophobicContact CE1-CD 3.77Å; F227-K239 HydrophobicContact CE1-CG 3.66Å; F227-K239 HydrophobicContact CZ-CD 4.27Å; F227-K239 HydrophobicContact CZ-CG 4.22Å; F227-W250 AromaticContact CD1-CH2 3.8Å; F227-W250 HydrophobicContact CD1-CH2 3.8Å; F227-W250 AromaticContact CE1-CH2 3.92Å; F227-W250 HydrophobicContact CE1-CH2 3.92Å; F227-L269 HydrophobicContact CB-CD1 4.16Å; F227-L269 VanDerWaalsContact O-CD1 3.26Å; F227-L269 WeakPolarHBondContact O-CD1 3.18Å; F227-F271 HydrophobicContact CD2-CD2 4.28Å; F227-F271 AromaticContact CE2-CD2 3.87Å; F227-F271 HydrophobicContact CE2-CD2 3.87Å; F227-F271 AromaticContact CE2-CE2 3.94Å; F227-F271 HydrophobicContact CE2-CE2 3.94Å; F227-F271 HydrophobicContact CZ-CE2 4.31Å; F227-V278 HydrophobicContact CB-CG2 4.44Å; F227-V278 HydrophobicContact CD1-CG1 4.33Å; F227-A293 HydrophobicContact CE1-CB 4.07Å; F227-A293 WeakPolarHBondContact CE1-O 3.15Å; F227-A293 HydrophobicContact CE2-CB 4.49Å; F227-A293 HydrophobicContact CZ-CB 3.76Å
228	V	98.9	Very high	97.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.6	-177.4	-179.4	0	0	0	0	110	V183 F211 P214 D216 I226 I237 L238 F240	V183-V228 HydrophobicContact CG1-CG2 4.47Å; V183-V228 HydrophobicContact CG2-CG1 3.65Å; V183-V228 HydrophobicContact CG2-CG2 4Å; F211-V228 HydrophobicContact CD1-CG1 4.15Å; F211-V228 HydrophobicContact CE1-CB 4.09Å; F211-V228 HydrophobicContact CE1-CG1 3.63Å; F211-V228 HydrophobicContact CE1-CG2 4.49Å; F211-V228 HydrophobicContact CZ-CB 4.39Å; F211-V228 HydrophobicContact CZ-CG1 4.01Å; F211-V228 HydrophobicContact CZ-CG2 4.31Å; P214-V228 HydrophobicContact CB-CG1 4.18Å; D216-V228 WeakPolarHBondContact O-CA 3.44Å; I226-V228 HydrophobicContact CG2-CG2 4.18Å; V228-I237 CarbonylContact O-C 3.56Å; V228-I237 WeakPolarHBondContact O-CA 3.22Å; V228-L238 PolarHBondContact N-O 2.95Å; V228-L238 PolarHBondContact O-N 3.45Å; V228-F240 HydrophobicContact CB-CE2 4.33Å; V228-F240 HydrophobicContact CG2-CD2 4.16Å; V228-F240 HydrophobicContact CG2-CE2 3.93Å
229	S	98.8	Very high	97.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	125.2	169	49.8	0	0	0	0	110.2	P214 T215 D216	P214-S229 WeakPolarHBondContact CA-O 3.4Å; T215-S229 PolarHBondContact N-O 2.89Å; T215-S229 VanDerWaalsContact OG1-CB 3.3Å; T215-S229 WeakPolarHBondContact OG1-CB 3.4Å; T215-S229 PolarHBondContact OG1-O 3.37Å; T215-S229 VanDerWaalsContact OG1-O 3.09Å; T215-S229 PolarHBondContact OG1-OG 2.73Å; D216-S229 WeakPolarHBondContact CB-OG 3.24Å; D216-S229 PolarHBondContact N-OG 2.85Å; D216-S229 VanDerWaalsContact N-OG 3.13Å; D216-S229 PolarHBondContact O-N 3.01Å; D216-S229 PolarHBondContact O-OG 2.92Å
230	D	98.7	Very high	97.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	102	-173	178.3	23.9	0	0	0	108.5	F211 C212 N234 A235 R236 L238	F211-D230 HydrophobicContact CD1-CB 4.01Å; C212-D230 PolarHBondContact N-OD1 3.41Å; D230-N234 HydrophobicContact CB-CB 4.37Å; D230-N234 VanDerWaalsContact CG-ND2 3.35Å; D230-N234 CarbonylContact O-C 3.49Å; D230-N234 VanDerWaalsContact O-CB 3.23Å; D230-N234 WeakPolarHBondContact O-CB 3.34Å; D230-N234 PolarHBondContact OD1-ND2 3.22Å; D230-N234 PolarHBondContact OD2-ND2 3.47Å; D230-A235 PolarHBondContact O-N 2.94Å; D230-R236 HydrophobicContact CB-CG 4.08Å; D230-R236 PolarHBondContact N-O 3.35Å; D230-R236 PolarHBondContact O-N 3.28Å; D230-R236 IonicContact OD2-CZ 2.71Å; D230-R236 IonicContact OD2-NE 3.81Å; D230-R236 PolarHBondContact OD2-NE 3.33Å; D230-R236 IonicContact OD2-NH2 2.78Å; D230-R236 PolarHBondContact OD2-NH2 2.89Å; D230-L238 HydrophobicContact CB-CD1 3.62Å
231	G	94.9	Very high	97.7	Very high	1 Å²	1	26 Å²	26	1%	0.01	15%	0.145	C	C	.	.			trans	-140.9	-34.9	-137.6	0	0	0	0	0	120.2	N234 I265	G231-N234 CarbonylContact C-O 3.28Å; G231-N234 WeakPolarHBondContact CA-O 3.24Å; G231-I265 VanDerWaalsContact O-CA 3.29Å; G231-I265 WeakPolarHBondContact O-CA 3.22Å
232	Y	97.8	Very high	97.8	Very high	58 Å²	58	26.5 Å²	26.5	23%	0.227	15%	0.153	C	C	.	.	S	Bend	trans	-74.8	-33.7	-179.5	-81.1	-90.7	0	0	0	112.6	W116 H163 V178 Q213 T215 I265 H267	W116-Y232 AromaticContact CH2-CD1 3.8Å; W116-Y232 HydrophobicContact CH2-CD1 3.8Å; W116-Y232 AromaticContact CH2-CD2 3.62Å; W116-Y232 HydrophobicContact CH2-CD2 3.62Å; W116-Y232 AromaticContact CH2-CE1 3.61Å; W116-Y232 HydrophobicContact CH2-CE1 3.61Å; W116-Y232 AromaticContact CH2-CE2 3.41Å; W116-Y232 HydrophobicContact CH2-CE2 3.41Å; W116-Y232 VanDerWaalsContact CH2-CE2 3.41Å; W116-Y232 AromaticContact CH2-CG 3.78Å; W116-Y232 HydrophobicContact CH2-CG 3.78Å; W116-Y232 AromaticContact CH2-CZ 3.38Å; W116-Y232 HydrophobicContact CZ2-CD1 4.29Å; W116-Y232 HydrophobicContact CZ2-CE1 4.27Å; W116-Y232 HydrophobicContact CZ2-CG 4.48Å; W116-Y232 HydrophobicContact CZ3-CD2 4.22Å; W116-Y232 HydrophobicContact CZ3-CE1 4.07Å; W116-Y232 AromaticContact CZ3-CE2 3.56Å; W116-Y232 HydrophobicContact CZ3-CE2 3.56Å; W116-Y232 AromaticContact CZ3-CZ 3.45Å; W116-Y232 VanDerWaalsContact CZ3-CZ 3.45Å; W116-Y232 WeakPolarHBondContact CZ3-OH 3.32Å; H163-Y232 AromaticContact CD2-CE2 3.91Å; H163-Y232 AromaticContact NE2-CE2 3.46Å; H163-Y232 WeakPolarHBondContact NE2-CE2 3.19Å; H163-Y232 AromaticContact NE2-CZ 3.86Å; H163-Y232 PolarHBondContact NE2-OH 2.91Å; V178-Y232 HydrophobicContact CG1-CD2 4.47Å; Q213-Y232 HydrophobicContact CB-CD2 4.33Å; Q213-Y232 HydrophobicContact CB-CG 4.44Å; Q213-Y232 VanDerWaalsContact OE1-CB 3.31Å; T215-Y232 HydrophobicContact CG2-CD2 3.5Å; T215-Y232 HydrophobicContact CG2-CE2 3.62Å; Y232-I265 HydrophobicContact CD1-CD1 3.9Å; Y232-I265 HydrophobicContact CD1-CG2 4.25Å; Y232-I265 HydrophobicContact CD2-CG2 4.35Å; Y232-I265 HydrophobicContact CE1-CD1 4.21Å; Y232-I265 HydrophobicContact CE1-CG2 4.4Å; Y232-I265 HydrophobicContact CE2-CG2 4.49Å; Y232-I265 HydrophobicContact CG-CG2 4.25Å; Y232-H267 AromaticContact CZ-NE2 3.99Å; Y232-H267 PolarHBondContact OH-NE2 2.78Å
233	C	96.4	Very high	97.8	Very high	53 Å²	53	24.9 Å²	24.9	36%	0.358	15%	0.149	S	C	.	.	S	Bend	trans	-124.7	3	172.8	43.2	0	0	0	0	114.8	A125 C212 Q213	A125-C233 HydrophobicContact CB-CB 4.38Å; A125-C233 WeakPolarHBondContact CB-SG 3.33Å; C212-C233 VanDerWaalsContact CA-SG 3.59Å; C212-C233 HydrophobicContact CB-CB 4Å; C212-C233 WeakPolarHBondContact CB-SG 3.35Å; C212-C233 PolarHBondContact O-N 2.83Å; C212-C233 PolarHBondContact O-SG 3.18Å; C212-C233 WeakPolarHBondContact SG-CB 3.38Å; C212-C233 CovalentContact SG-SG 2.03Å; C212-C233 PolarHBondContact SG-SG 2.85Å; Q213-C233 PolarHBondContact OE1-SG 2.85Å
234	N	98	Very high	97.9	Very high	23 Å²	23	22.6 Å²	22.6	12%	0.123	14%	0.138	C	C	.	.			trans	-119.9	177.5	166.7	-80.9	-30.7	0	0	0	110.5	G205 S206 C212 D230 G231 R236	G205-N234 PolarHBondContact O-ND2 3.47Å; S206-N234 WeakPolarHBondContact CB-OD1 3.3Å; S206-N234 PolarHBondContact OG-OD1 3.5Å; C212-N234 HydrophobicContact CB-CB 4.28Å; C212-N234 WeakPolarHBondContact CB-ND2 3.45Å; C212-N234 PolarHBondContact N-ND2 3.1Å; D230-N234 HydrophobicContact CB-CB 4.37Å; D230-N234 VanDerWaalsContact CG-ND2 3.35Å; D230-N234 CarbonylContact O-C 3.49Å; D230-N234 VanDerWaalsContact O-CB 3.23Å; D230-N234 WeakPolarHBondContact O-CB 3.34Å; D230-N234 PolarHBondContact OD1-ND2 3.22Å; D230-N234 PolarHBondContact OD2-ND2 3.47Å; G231-N234 CarbonylContact C-O 3.28Å; G231-N234 WeakPolarHBondContact CA-O 3.24Å; N234-R236 HydrophobicContact CB-CG 4.39Å
235	A	97.4	Very high	98	Very high	45 Å²	45	24.1 Å²	24.1	37%	0.372	15%	0.15	S	C	.	.			trans	-144.2	51.3	-176.6	0	0	0	0	0	112.1	D230 F263	D230-A235 PolarHBondContact O-N 2.94Å; A235-F263 HydrophobicContact CB-CB 4.45Å; A235-F263 WeakPolarHBondContact CB-O 3.1Å
236	R	97.9	Very high	98	Very high	18 Å²	18	26.7 Å²	26.7	7%	0.068	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	157.5	-170.9	57.5	173.7	176.8	168.3	3.9	113.1	S206 D207 H210 D230 N234 L238 W250	S206-R236 PolarHBondContact O-NH1 3.13Å; D207-R236 PolarHBondContact O-NH1 2.92Å; D207-R236 PolarHBondContact O-NH2 3.26Å; H210-R236 PolarHBondContact O-NH2 2.86Å; D230-R236 HydrophobicContact CB-CG 4.08Å; D230-R236 PolarHBondContact N-O 3.35Å; D230-R236 PolarHBondContact O-N 3.28Å; D230-R236 IonicContact OD2-CZ 2.71Å; D230-R236 IonicContact OD2-NE 3.81Å; D230-R236 PolarHBondContact OD2-NE 3.33Å; D230-R236 IonicContact OD2-NH2 2.78Å; D230-R236 PolarHBondContact OD2-NH2 2.89Å; N234-R236 HydrophobicContact CB-CG 4.39Å; R236-L238 HydrophobicContact CG-CD1 3.82Å; R236-W250 VanDerWaalsContact CA-O 3.32Å; R236-W250 WeakPolarHBondContact CA-O 3.48Å
237	I	98.7	Very high	98	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	135.5	160.4	-51.2	-49.7	0	0	0	107.7	V228 Q249 W250 F263 P266 L269 V280	V228-I237 CarbonylContact O-C 3.56Å; V228-I237 WeakPolarHBondContact O-CA 3.22Å; I237-Q249 CarbonylContact O-C 3.33Å; I237-Q249 WeakPolarHBondContact O-CA 3.4Å; I237-Q249 WeakPolarHBondContact O-CB 3.34Å; I237-W250 HydrophobicContact CB-CD2 4.34Å; I237-W250 HydrophobicContact CB-CZ2 4.1Å; I237-W250 HydrophobicContact CG2-CH2 4.19Å; I237-W250 HydrophobicContact CG2-CZ2 3.79Å; I237-W250 PolarHBondContact N-O 3.24Å; I237-W250 PolarHBondContact O-N 2.72Å; I237-F263 HydrophobicContact CD1-CE2 4.3Å; I237-F263 HydrophobicContact CD1-CZ 4.5Å; I237-F263 HydrophobicContact CG1-CE2 3.89Å; I237-F263 HydrophobicContact CG1-CZ 4.06Å; I237-P266 HydrophobicContact CD1-CB 4.01Å; I237-L269 HydrophobicContact CD1-CD2 3.86Å; I237-V280 HydrophobicContact CD1-CG1 3.95Å; I237-V280 HydrophobicContact CD1-CG2 4.03Å; I237-V280 HydrophobicContact CG1-CG2 4Å
238	L	98.7	Very high	97.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	145.9	172.1	-59.6	84.5	0	0	0	109.6	F211 F227 V228 D230 R236 F240 Y246 Q249	F211-L238 HydrophobicContact CD1-CD1 4.18Å; F211-L238 HydrophobicContact CD1-CD2 4.46Å; F211-L238 HydrophobicContact CE1-CD1 3.99Å; F211-L238 HydrophobicContact CE1-CD2 3.95Å; F211-L238 HydrophobicContact CE1-CG 4.45Å; F227-L238 CarbonylContact C-O 3.48Å; F227-L238 WeakPolarHBondContact CA-O 3.42Å; V228-L238 PolarHBondContact N-O 2.95Å; V228-L238 PolarHBondContact O-N 3.45Å; D230-L238 HydrophobicContact CB-CD1 3.62Å; R236-L238 HydrophobicContact CG-CD1 3.82Å; L238-F240 HydrophobicContact CB-CD2 4.32Å; L238-F240 HydrophobicContact CB-CE2 3.55Å; L238-F240 HydrophobicContact CB-CZ 4.02Å; L238-F240 HydrophobicContact CD2-CE2 4.18Å; L238-F240 HydrophobicContact CD2-CZ 3.81Å; L238-F240 HydrophobicContact CG-CE2 4.48Å; L238-Y246 HydrophobicContact CD2-CD2 4.4Å; L238-Y246 HydrophobicContact CD2-CE2 4.29Å; L238-Q249 HydrophobicContact CG-CB 4.19Å
239	K	98.7	Very high	97.9	Very high	3 Å²	3	36.9 Å²	36.9	1%	0.013	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	129.7	172.8	-178.6	-173.7	-178.9	176.5	0	109.5	I226 F227 L247 T248 W250 A293 E294	I226-K239 CarbonylContact O-C 3.55Å; I226-K239 WeakPolarHBondContact O-CA 3.24Å; F227-K239 HydrophobicContact CD1-CB 4.15Å; F227-K239 HydrophobicContact CD1-CG 4.1Å; F227-K239 HydrophobicContact CE1-CB 4.12Å; F227-K239 HydrophobicContact CE1-CD 3.77Å; F227-K239 HydrophobicContact CE1-CG 3.66Å; F227-K239 HydrophobicContact CZ-CD 4.27Å; F227-K239 HydrophobicContact CZ-CG 4.22Å; K239-L247 HydrophobicContact CD-CD1 4.33Å; K239-L247 HydrophobicContact CG-CB 4.4Å; K239-L247 HydrophobicContact CG-CD1 4.23Å; K239-L247 WeakPolarHBondContact O-CB 3.46Å; K239-L247 PolarHBondContact O-N 3.35Å; K239-T248 HydrophobicContact CB-CG2 3.92Å; K239-T248 HydrophobicContact CD-CG2 4.08Å; K239-T248 PolarHBondContact N-O 3.1Å; K239-T248 PolarHBondContact O-N 3.47Å; K239-W250 HydrophobicContact CB-CH2 4.41Å; K239-W250 HydrophobicContact CB-CZ3 3.98Å; K239-A293 PolarHBondContact NZ-O 3.12Å; K239-A293 VanDerWaalsContact NZ-O 3.15Å; K239-E294 PolarHBondContact NZ-O 2.77Å; K239-E294 IonicContact NZ-OE1 2.75Å; K239-E294 PolarHBondContact NZ-OE1 2.96Å; K239-E294 IonicContact NZ-OE2 3.21Å; K239-E294 PolarHBondContact NZ-OE2 3.3Å
240	F	98.8	Very high	97.8	Very high	6 Å²	6	37.8 Å²	37.8	3%	0.026	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	153.4	175.2	-55.5	-98.7	0	0	0	110.2	L198 F211 N225 I226 V228 L238 G244 T245 Y246	L198-F240 HydrophobicContact CD1-CD1 4.09Å; L198-F240 HydrophobicContact CD1-CD2 3.83Å; L198-F240 HydrophobicContact CD1-CE1 4.21Å; L198-F240 HydrophobicContact CD1-CE2 3.94Å; L198-F240 HydrophobicContact CD1-CG 3.91Å; L198-F240 HydrophobicContact CD1-CZ 4.14Å; L198-F240 HydrophobicContact CD2-CD1 4.17Å; L198-F240 HydrophobicContact CD2-CE1 4.27Å; F211-F240 HydrophobicContact CE1-CE2 4.05Å; F211-F240 AromaticContact CE1-CZ 3.97Å; F211-F240 HydrophobicContact CE1-CZ 3.97Å; F211-F240 AromaticContact CZ-CE2 3.85Å; F211-F240 HydrophobicContact CZ-CE2 3.85Å; F211-F240 AromaticContact CZ-CZ 3.68Å; F211-F240 HydrophobicContact CZ-CZ 3.68Å; N225-F240 CarbonylContact C-O 3.57Å; N225-F240 WeakPolarHBondContact CA-O 3.21Å; N225-F240 PolarHBondContact OD1-O 3.18Å; I226-F240 HydrophobicContact CB-CB 4.3Å; I226-F240 HydrophobicContact CD1-CB 4.16Å; I226-F240 PolarHBondContact N-O 2.88Å; I226-F240 PolarHBondContact O-N 2.75Å; V228-F240 HydrophobicContact CB-CE2 4.33Å; V228-F240 HydrophobicContact CG2-CD2 4.16Å; V228-F240 HydrophobicContact CG2-CE2 3.93Å; L238-F240 HydrophobicContact CB-CD2 4.32Å; L238-F240 HydrophobicContact CB-CE2 3.55Å; L238-F240 HydrophobicContact CB-CZ 4.02Å; L238-F240 HydrophobicContact CD2-CE2 4.18Å; L238-F240 HydrophobicContact CD2-CZ 3.81Å; L238-F240 HydrophobicContact CG-CE2 4.48Å; F240-G244 WeakPolarHBondContact CD1-O 3.29Å; F240-T245 CarbonylContact C-O 3.57Å; F240-T245 VanDerWaalsContact CA-O 3.23Å; F240-T245 WeakPolarHBondContact CA-O 3.44Å; F240-Y246 HydrophobicContact CE1-CD2 4.14Å; F240-Y246 HydrophobicContact CZ-CD2 4.48Å
241	A	98.4	Very high	97.5	Very high	22 Å²	22	39 Å²	39	18%	0.182	23%	0.229	C	C	.	.			trans	-72.9	165.4	167.8	0	0	0	0	0	111	I226 D243 G244 T245 L247	I226-A241 VanDerWaalsContact CD1-O 3.24Å; I226-A241 WeakPolarHBondContact CD1-O 3.43Å; A241-D243 PolarHBondContact O-N 3.29Å; A241-G244 PolarHBondContact O-N 2.65Å; A241-T245 PolarHBondContact N-O 2.98Å; A241-L247 HydrophobicContact CB-CD1 4.1Å; A241-L247 HydrophobicContact CB-CD2 4.25Å; A241-L247 HydrophobicContact CB-CG 4.24Å
242	A	96.7	Very high	97	Very high	52 Å²	52	39.4 Å²	39.4	43%	0.43	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-21.6	-177.9	0	0	0	0	0	115.2	Q224	Q224-A242 HydrophobicContact CB-CB 3.6Å; Q224-A242 VanDerWaalsContact O-CA 3.31Å; Q224-A242 WeakPolarHBondContact O-CA 3.41Å; Q224-A242 WeakPolarHBondContact O-CB 3.48Å
243	D	96.8	Very high	95.8	Very high	111 Å²	111	36.7 Å²	36.7	59%	0.594	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-0.2	176	67.8	-1.5	0	0	0	114	L196 A241 T245	L196-D243 WeakPolarHBondContact CD1-O 3.31Å; A241-D243 PolarHBondContact O-N 3.29Å; D243-T245 VanDerWaalsContact CG-OG1 3.27Å; D243-T245 WeakPolarHBondContact OD1-CB 3.41Å; D243-T245 PolarHBondContact OD1-N 2.69Å; D243-T245 PolarHBondContact OD1-OG1 2.78Å; D243-T245 PolarHBondContact OD2-OG1 2.92Å
244	G	97.6	Very high	94.7	Very high	16 Å²	16	35.6 Å²	35.6	17%	0.165	22%	0.215	C	C	.	.	S	Bend	trans	90.3	1.1	-177	0	0	0	0	0	114.8	L198 F240 A241 Y246	L198-G244 WeakPolarHBondContact CD2-O 3.41Å; F240-G244 WeakPolarHBondContact CD1-O 3.29Å; A241-G244 PolarHBondContact O-N 2.65Å; G244-Y246 PolarHBondContact O-N 2.85Å
245	T	98.4	Very high	93.4	Very high	76 Å²	76	38 Å²	38	47%	0.466	23%	0.233	S	C	.	.			trans	-65.6	125.2	176.7	-58.2	0	0	0	0	110.8	F240 A241 D243 L247	F240-T245 CarbonylContact C-O 3.57Å; F240-T245 VanDerWaalsContact CA-O 3.23Å; F240-T245 WeakPolarHBondContact CA-O 3.44Å; A241-T245 PolarHBondContact N-O 2.98Å; D243-T245 VanDerWaalsContact CG-OG1 3.27Å; D243-T245 WeakPolarHBondContact OD1-CB 3.41Å; D243-T245 PolarHBondContact OD1-N 2.69Å; D243-T245 PolarHBondContact OD1-OG1 2.78Å; D243-T245 PolarHBondContact OD2-OG1 2.92Å; T245-L247 PolarHBondContact O-N 2.9Å
246	Y	98.6	Very high	92.2	Very high	75 Å²	75	38 Å²	38	29%	0.294	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	131.3	174.7	169.8	-89	0	0	0	111.5	T208 L238 F240 G244 T248 Q249	T208-Y246 HydrophobicContact CG2-CD1 3.92Å; T208-Y246 HydrophobicContact CG2-CD2 4.06Å; T208-Y246 HydrophobicContact CG2-CE1 3.65Å; T208-Y246 HydrophobicContact CG2-CE2 3.78Å; T208-Y246 HydrophobicContact CG2-CG 4.12Å; L238-Y246 HydrophobicContact CD2-CD2 4.4Å; L238-Y246 HydrophobicContact CD2-CE2 4.29Å; F240-Y246 HydrophobicContact CE1-CD2 4.14Å; F240-Y246 HydrophobicContact CZ-CD2 4.48Å; G244-Y246 PolarHBondContact O-N 2.85Å; Y246-T248 WeakPolarHBondContact CE2-O 3.29Å; Y246-T248 VanDerWaalsContact OH-C 3.29Å; Y246-T248 WeakPolarHBondContact OH-CA 3.48Å; Y246-Q249 HydrophobicContact CE2-CB 4.25Å; Y246-Q249 WeakPolarHBondContact OH-CG 3.35Å; Y246-Q249 PolarHBondContact OH-N 2.71Å
247	L	98.5	Very high	90.7	Very high	83 Å²	83	47.2 Å²	47.2	44%	0.435	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	-53.9	178.1	-61.4	179.2	0	0	0	112.3	N225 K239 A241 T245	N225-L247 WeakPolarHBondContact OD1-CD1 3.15Å; K239-L247 HydrophobicContact CD-CD1 4.33Å; K239-L247 HydrophobicContact CG-CB 4.4Å; K239-L247 HydrophobicContact CG-CD1 4.23Å; K239-L247 WeakPolarHBondContact O-CB 3.46Å; K239-L247 PolarHBondContact O-N 3.35Å; A241-L247 HydrophobicContact CB-CD1 4.1Å; A241-L247 HydrophobicContact CB-CD2 4.25Å; A241-L247 HydrophobicContact CB-CG 4.24Å; T245-L247 PolarHBondContact O-N 2.9Å
248	T	98	Very high	89.3	Confident	53 Å²	53	58.3 Å²	58.3	33%	0.325	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	172.2	-176.3	-170.3	0	0	0	0	112	K239 Y246 W250	K239-T248 HydrophobicContact CB-CG2 3.92Å; K239-T248 HydrophobicContact CD-CG2 4.08Å; K239-T248 PolarHBondContact N-O 3.1Å; K239-T248 PolarHBondContact O-N 3.47Å; Y246-T248 WeakPolarHBondContact CE2-O 3.29Å; Y246-T248 VanDerWaalsContact OH-C 3.29Å; Y246-T248 WeakPolarHBondContact OH-CA 3.48Å; T248-W250 HydrophobicContact CG2-CE3 4.26Å; T248-W250 HydrophobicContact CG2-CZ3 4.03Å
249	Q	97.3	Very high	87.7	Confident	79 Å²	79	62.5 Å²	62.5	37%	0.369	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	154.3	171.9	70.2	-179.3	-1.8	0	0	111.4	I237 L238 Y246	I237-Q249 CarbonylContact O-C 3.33Å; I237-Q249 WeakPolarHBondContact O-CA 3.4Å; I237-Q249 WeakPolarHBondContact O-CB 3.34Å; L238-Q249 HydrophobicContact CG-CB 4.19Å; Y246-Q249 HydrophobicContact CE2-CB 4.25Å; Y246-Q249 WeakPolarHBondContact OH-CG 3.35Å; Y246-Q249 PolarHBondContact OH-N 2.71Å
250	W	96.6	Very high	86.3	Confident	19 Å²	19	69.6 Å²	69.6	7%	0.072	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	169.5	173.7	64	92.8	0	0	0	113	F227 R236 I237 K239 T248 V278 F291	F227-W250 AromaticContact CD1-CH2 3.8Å; F227-W250 HydrophobicContact CD1-CH2 3.8Å; F227-W250 AromaticContact CE1-CH2 3.92Å; F227-W250 HydrophobicContact CE1-CH2 3.92Å; R236-W250 VanDerWaalsContact CA-O 3.32Å; R236-W250 WeakPolarHBondContact CA-O 3.48Å; I237-W250 HydrophobicContact CB-CD2 4.34Å; I237-W250 HydrophobicContact CB-CZ2 4.1Å; I237-W250 HydrophobicContact CG2-CH2 4.19Å; I237-W250 HydrophobicContact CG2-CZ2 3.79Å; I237-W250 PolarHBondContact N-O 3.24Å; I237-W250 PolarHBondContact O-N 2.72Å; K239-W250 HydrophobicContact CB-CH2 4.41Å; K239-W250 HydrophobicContact CB-CZ3 3.98Å; T248-W250 HydrophobicContact CG2-CE3 4.26Å; T248-W250 HydrophobicContact CG2-CZ3 4.03Å; W250-V278 HydrophobicContact CH2-CG1 4.39Å; W250-V278 HydrophobicContact CZ2-CG1 3.77Å; W250-F291 AromaticContact CD1-CD1 3.86Å; W250-F291 AromaticContact NE1-CD1 3.7Å; W250-F291 AromaticContact NE1-CD2 3.87Å; W250-F291 AromaticContact NE1-CG 3.55Å
251	G	93.5	Very high	85.7	Confident	27 Å²	27	73.2 Å²	73.2	28%	0.278	37%	0.368	S	S	.	.			trans	-120.6	178.3	175.8	0	0	0	0	0	112.4	S254 F263	G251-S254 WeakPolarHBondContact O-CB 3.37Å; G251-S254 PolarHBondContact O-N 3.09Å; G251-F263 VanDerWaalsContact C-CE2 3.41Å
252	A	84	Confident	85.3	Confident	9 Å²	9	75.9 Å²	75.9	7%	0.074	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	142	177.9	0	0	0	0	0	113.1	S254 T261 F263 Q289	A252-S254 PolarHBondContact O-N 2.92Å; A252-T261 WeakPolarHBondContact CB-O 3.47Å; A252-F263 HydrophobicContact CB-CB 4.48Å; A252-F263 HydrophobicContact CB-CD1 3.67Å; A252-F263 HydrophobicContact CB-CD2 4.12Å; A252-F263 HydrophobicContact CB-CE1 3.89Å; A252-F263 HydrophobicContact CB-CE2 4.33Å; A252-F263 HydrophobicContact CB-CG 3.78Å; A252-F263 HydrophobicContact CB-CZ 4.22Å; A252-Q289 VanDerWaalsContact CB-NE2 3.32Å
253	G	73	Confident	85.3	Confident	1 Å²	1	73.7 Å²	73.7	1%	0.01	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	30.7	-176.6	0	0	0	0	0	114	D256 Q289	G253-D256 CarbonylContact O-C 3.59Å; G253-D256 PolarHBondContact O-N 3.26Å; G253-D256 VanDerWaalsContact O-N 3.15Å; G253-Q289 VanDerWaalsContact N-OE1 3.12Å
254	S	74	Confident	85.2	Confident	30 Å²	30	73.2 Å²	73.2	21%	0.21	36%	0.355	C	S	.	.	S	Bend	trans	-51.2	138.1	171.2	-175.1	0	0	0	0	111	G251 A252 D256 G296 F298	G251-S254 WeakPolarHBondContact O-CB 3.37Å; G251-S254 PolarHBondContact O-N 3.09Å; A252-S254 PolarHBondContact O-N 2.92Å; S254-D256 PolarHBondContact O-N 2.85Å; S254-G296 WeakPolarHBondContact CB-O 3.45Å; S254-G296 PolarHBondContact OG-O 2.83Å; S254-F298 WeakPolarHBondContact O-CB 3.36Å; S254-F298 PolarHBondContact O-N 3.13Å; S254-F298 VanDerWaalsContact O-N 3.13Å
255	S	69.3	Low	85.2	Confident	73 Å²	73	73.6 Å²	73.6	51%	0.51	35%	0.353	S	S	.	.	S	Bend	trans	58.5	-38.7	-163.7	-71.7	0	0	0	0	117.3	R257 E297	S255-R257 PolarHBondContact O-N 3.12Å; S255-R257 VanDerWaalsContact O-N 3.17Å; S255-E297 PolarHBondContact OG-OE1 3.31Å
256	D	72	Confident	85.2	Confident	44 Å²	44	70 Å²	70	24%	0.235	33%	0.33	C	S	.	.			trans	-79.6	100.6	177.9	-174	9.2	0	0	0	113.8	G253 S254 R258 R259 R260 F298	G253-D256 CarbonylContact O-C 3.59Å; G253-D256 PolarHBondContact O-N 3.26Å; G253-D256 VanDerWaalsContact O-N 3.15Å; S254-D256 PolarHBondContact O-N 2.85Å; D256-R258 PolarHBondContact O-N 3.35Å; D256-R258 WeakPolarHBondContact OD1-CB 3.47Å; D256-R258 PolarHBondContact OD1-N 2.78Å; D256-R259 HydrophobicContact CB-CB 4.35Å; D256-R259 PolarHBondContact O-N 3.05Å; D256-R259 VanDerWaalsContact O-N 3.11Å; D256-R259 WeakPolarHBondContact OD2-CD 3.44Å; D256-R259 WeakPolarHBondContact OD2-CG 3.41Å; D256-R259 IonicContact OD2-NE 2.76Å; D256-R260 WeakPolarHBondContact O-CG 3.48Å; D256-F298 HydrophobicContact CB-CD1 4.25Å
257	R	67.6	Low	85.3	Confident	212 Å²	212	66.5 Å²	66.5	80%	0.8	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-19.1	173.2	-78.8	-175.3	168.9	-176.1	-3.3	115.1	S255	S255-R257 PolarHBondContact O-N 3.12Å; S255-R257 VanDerWaalsContact O-N 3.17Å
258	R	68.6	Low	85.3	Confident	234 Å²	234	62.7 Å²	62.7	88%	0.883	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-18.5	179.7	-59.3	174.6	178	162.5	0.7	113.7	D256	D256-R258 PolarHBondContact O-N 3.35Å; D256-R258 WeakPolarHBondContact OD1-CB 3.47Å; D256-R258 PolarHBondContact OD1-N 2.78Å
259	R	66.5	Low	85.3	Confident	88 Å²	88	60.5 Å²	60.5	33%	0.332	28%	0.284	S	S	.	.			trans	-116	14.6	-172.2	-73	178.8	170.1	-84	0.7	114.7	D256 T261 E301	D256-R259 HydrophobicContact CB-CB 4.35Å; D256-R259 PolarHBondContact O-N 3.05Å; D256-R259 VanDerWaalsContact O-N 3.11Å; D256-R259 WeakPolarHBondContact OD2-CD 3.44Å; D256-R259 WeakPolarHBondContact OD2-CG 3.41Å; D256-R259 IonicContact OD2-NE 2.76Å; R259-T261 PolarHBondContact O-N 3.36Å; R259-E301 IonicContact CZ-OE1 3.22Å; R259-E301 IonicContact NH1-OE1 2.78Å; R259-E301 PolarHBondContact NH1-OE1 3.41Å; R259-E301 IonicContact NH1-OE2 2.77Å; R259-E301 PolarHBondContact NH1-OE2 3.43Å; R259-E301 VanDerWaalsContact NH1-OE2 3.14Å
260	R	69.3	Low	85.4	Confident	152 Å²	152	57.6 Å²	57.6	57%	0.574	27%	0.271	S	S	*	.			trans	-67.7	25.8	-178.8	-61.2	-171.4	167.7	-152.5	-7.3	116.1	D256 P262	D256-R260 WeakPolarHBondContact O-CG 3.48Å; R260-P262 WeakPolarHBondContact O-CD 3.29Å
261	T	85.7	Confident	85.4	Confident	81 Å²	81	57.5 Å²	57.5	50%	0.497	27%	0.271	S	S	.	.			trans	-64	116	161.4	-56.7	0	0	0	0	106.5	A252 R259 R287	A252-T261 WeakPolarHBondContact CB-O 3.47Å; R259-T261 PolarHBondContact O-N 3.36Å; T261-R287 PolarHBondContact O-NH2 3.41Å
262	P	90.3	Very high	85.7	Confident	79 Å²	79	56.2 Å²	56.2	51%	0.513	26%	0.258	S	S	.	.			trans	-61.4	159.6	-174.1	26.7	-35.5	0	0	0	111.2	R260 N285	R260-P262 WeakPolarHBondContact O-CD 3.29Å; P262-N285 PolarHBondContact O-ND2 3.4Å
263	F	96	Very high	86.2	Confident	6 Å²	6	58.8 Å²	58.8	3%	0.026	27%	0.274	C	S	.	.			trans	-59.6	143.1	169.3	-61.3	-65.5	0	0	0	109.1	A235 I237 G251 A252 P266 V280 D282 Q289 F291	A235-F263 HydrophobicContact CB-CB 4.45Å; A235-F263 WeakPolarHBondContact CB-O 3.1Å; I237-F263 HydrophobicContact CD1-CE2 4.3Å; I237-F263 HydrophobicContact CD1-CZ 4.5Å; I237-F263 HydrophobicContact CG1-CE2 3.89Å; I237-F263 HydrophobicContact CG1-CZ 4.06Å; G251-F263 VanDerWaalsContact C-CE2 3.41Å; A252-F263 HydrophobicContact CB-CB 4.48Å; A252-F263 HydrophobicContact CB-CD1 3.67Å; A252-F263 HydrophobicContact CB-CD2 4.12Å; A252-F263 HydrophobicContact CB-CE1 3.89Å; A252-F263 HydrophobicContact CB-CE2 4.33Å; A252-F263 HydrophobicContact CB-CG 3.78Å; A252-F263 HydrophobicContact CB-CZ 4.22Å; F263-P266 HydrophobicContact CB-CB 4.16Å; F263-P266 HydrophobicContact CB-CG 4Å; F263-P266 HydrophobicContact CD1-CB 4.35Å; F263-P266 HydrophobicContact CD2-CB 4.36Å; F263-P266 HydrophobicContact CD2-CG 4.36Å; F263-P266 HydrophobicContact CG-CB 4.1Å; F263-P266 HydrophobicContact CG-CG 4.27Å; F263-V280 HydrophobicContact CD1-CG1 4.4Å; F263-V280 HydrophobicContact CE1-CB 4.14Å; F263-V280 HydrophobicContact CE1-CG1 3.95Å; F263-V280 HydrophobicContact CE1-CG2 4.33Å; F263-V280 HydrophobicContact CZ-CB 4.48Å; F263-V280 HydrophobicContact CZ-CG1 4.33Å; F263-V280 HydrophobicContact CZ-CG2 4.2Å; F263-D282 VanDerWaalsContact CA-OD1 3.25Å; F263-D282 WeakPolarHBondContact CA-OD1 3.36Å; F263-D282 HydrophobicContact CD1-CB 3.96Å; F263-Q289 HydrophobicContact CE1-CB 4.49Å; F263-F291 AromaticContact CE1-CE2 4Å; F263-F291 HydrophobicContact CE1-CE2 4Å; F263-F291 AromaticContact CE1-CZ 3.95Å; F263-F291 HydrophobicContact CE1-CZ 3.95Å; F263-F291 AromaticContact CZ-CE2 3.66Å; F263-F291 HydrophobicContact CZ-CE2 3.66Å; F263-F291 AromaticContact CZ-CZ 3.56Å; F263-F291 HydrophobicContact CZ-CZ 3.56Å
264	R	95.6	Very high	87.3	Confident	101 Å²	101	62.7 Å²	62.7	38%	0.381	30%	0.295	S	S	.	.	S	Bend	trans	-121.7	94.5	169.1	-66.2	-171.4	68.4	-119.5	-13.4	107	D282 E284 N285	R264-D282 PolarHBondContact N-OD1 3.03Å; R264-E284 HydrophobicContact CB-CB 3.88Å; R264-E284 IonicContact CZ-OE2 3.28Å; R264-E284 VanDerWaalsContact CZ-OE2 3.28Å; R264-E284 PolarHBondContact NH1-O 3.44Å; R264-E284 IonicContact NH1-OE2 3.2Å; R264-E284 PolarHBondContact NH1-OE2 3.44Å; R264-E284 IonicContact NH2-OE2 2.66Å; R264-E284 PolarHBondContact NH2-OE2 2.86Å; R264-E284 PolarHBondContact O-N 2.82Å; R264-N285 PolarHBondContact N-ND2 3.13Å
265	I	97.6	Very high	88.4	Confident	23 Å²	23	65 Å²	65	12%	0.118	30%	0.299	C	S	.	.			trans	59.1	77.5	-168.2	-41.4	-178.4	0	0	0	111.5	T215 G231 Y232 H267 R283 E284	T215-I265 HydrophobicContact CG2-CG2 4.47Å; G231-I265 VanDerWaalsContact O-CA 3.29Å; G231-I265 WeakPolarHBondContact O-CA 3.22Å; Y232-I265 HydrophobicContact CD1-CD1 3.9Å; Y232-I265 HydrophobicContact CD1-CG2 4.25Å; Y232-I265 HydrophobicContact CD2-CG2 4.35Å; Y232-I265 HydrophobicContact CE1-CD1 4.21Å; Y232-I265 HydrophobicContact CE1-CG2 4.4Å; Y232-I265 HydrophobicContact CE2-CG2 4.49Å; Y232-I265 HydrophobicContact CG-CG2 4.25Å; I265-H267 HydrophobicContact CG2-CB 4.14Å; I265-H267 PolarHBondContact O-N 2.79Å; I265-H267 VanDerWaalsContact O-N 3.07Å; I265-R283 HydrophobicContact CB-CB 4.38Å; I265-R283 WeakPolarHBondContact O-CB 3.44Å; I265-R283 PolarHBondContact O-N 3.37Å; I265-E284 HydrophobicContact CD1-CG 4.06Å; I265-E284 HydrophobicContact CG1-CG 4.37Å
266	P	98.4	Very high	89.8	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	109.7	158.2	28.9	-31.5	0	0	0	107.3	T215 I237 F263 V280 A281	T215-P266 PolarHBondContact OG1-O 3.5Å; I237-P266 HydrophobicContact CD1-CB 4.01Å; F263-P266 HydrophobicContact CB-CB 4.16Å; F263-P266 HydrophobicContact CB-CG 4Å; F263-P266 HydrophobicContact CD1-CB 4.35Å; F263-P266 HydrophobicContact CD2-CB 4.36Å; F263-P266 HydrophobicContact CD2-CG 4.36Å; F263-P266 HydrophobicContact CG-CB 4.1Å; F263-P266 HydrophobicContact CG-CG 4.27Å; P266-V280 HydrophobicContact CB-CG1 3.65Å; P266-A281 CarbonylContact C-O 3.21Å; P266-A281 WeakPolarHBondContact CA-O 3.38Å
267	H	98.7	Very high	91.1	Very high	3 Å²	3	63.7 Å²	63.7	1%	0.014	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	-25.6	-159.9	-168.3	-87.7	0	0	0	114.1	H163 T215 Y232 I265 A281 R283 F312 H365	H163-H267 AromaticContact CE1-CE1 3.72Å; H163-H267 AromaticContact CE1-NE2 3.83Å; H163-H267 AromaticContact NE2-CE1 3.89Å; H163-H267 AromaticContact NE2-NE2 3.63Å; T215-H267 WeakPolarHBondContact CB-O 3.45Å; Y232-H267 AromaticContact CZ-NE2 3.99Å; Y232-H267 PolarHBondContact OH-NE2 2.78Å; I265-H267 HydrophobicContact CG2-CB 4.14Å; I265-H267 PolarHBondContact O-N 2.79Å; I265-H267 VanDerWaalsContact O-N 3.07Å; H267-A281 PolarHBondContact N-O 3.04Å; H267-R283 HydrophobicContact CB-CB 3.78Å; H267-F312 AromaticContact CE1-CD1 3.57Å; H267-F312 PolarHBondContact ND1-O 2.92Å; H267-F312 AromaticContact NE2-CD1 3.91Å; H267-H365 AromaticContact CE1-CE1 3.95Å
268	S	98.8	Very high	92.5	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.021	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	148.6	179.6	164.4	0	0	0	0	110.3	D216 V280 A281 I314	D216-S268 WeakPolarHBondContact OD2-CA 3.46Å; D216-S268 PolarHBondContact OD2-OG 2.93Å; S268-V280 WeakPolarHBondContact O-CA 3.23Å; S268-A281 PolarHBondContact O-N 3.25Å; S268-I314 PolarHBondContact OG-N 2.94Å; S268-I314 PolarHBondContact OG-O 3.06Å
269	L	98.6	Very high	94	Very high	7 Å²	7	42.4 Å²	42.4	4%	0.037	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	141.7	-178.9	-69.1	-177.4	0	0	0	111.5	D216 A218 F227 I237 V278 C279 V280	D216-L269 PolarHBondContact OD2-N 2.95Å; A218-L269 HydrophobicContact CB-CB 3.78Å; F227-L269 HydrophobicContact CB-CD1 4.16Å; F227-L269 VanDerWaalsContact O-CD1 3.26Å; F227-L269 WeakPolarHBondContact O-CD1 3.18Å; I237-L269 HydrophobicContact CD1-CD2 3.86Å; L269-V278 HydrophobicContact CD2-CG2 4.11Å; L269-C279 WeakPolarHBondContact CA-O 3.18Å; L269-V280 HydrophobicContact CD2-CB 4.11Å; L269-V280 HydrophobicContact CD2-CG1 4.01Å; L269-V280 HydrophobicContact CD2-CG2 3.66Å
270	V	98.6	Very high	95.5	Very high	17 Å²	17	38.2 Å²	38.2	10%	0.103	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	134.8	165.1	64.3	0	0	0	0	110.8	L272 V278 C279 I314	V270-L272 HydrophobicContact CG1-CD1 4.06Å; V270-L272 WeakPolarHBondContact O-CD1 3.28Å; V270-V278 CarbonylContact O-C 3.55Å; V270-V278 WeakPolarHBondContact O-CA 3.18Å; V270-C279 HydrophobicContact CG1-CB 3.99Å; V270-C279 PolarHBondContact N-O 2.77Å; V270-C279 PolarHBondContact O-N 3.39Å; V270-I314 HydrophobicContact CG1-CD1 3.95Å; V270-I314 HydrophobicContact CG1-CG1 3.99Å
271	F	98.5	Very high	96.9	Very high	18 Å²	18	31 Å²	31	8%	0.079	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	139.3	173.2	-173.7	-92	0	0	0	110.1	A218 D220 P221 F227 P273 K276 E277 A293	A218-F271 HydrophobicContact CB-CB 4.15Å; D220-F271 HydrophobicContact CB-CD1 4.47Å; D220-F271 HydrophobicContact CB-CD2 4.23Å; D220-F271 HydrophobicContact CB-CE1 3.92Å; D220-F271 HydrophobicContact CB-CE2 3.64Å; D220-F271 HydrophobicContact CB-CZ 3.47Å; D220-F271 VanDerWaalsContact CB-CZ 3.47Å; D220-F271 VanDerWaalsContact OD1-CE1 3.24Å; D220-F271 WeakPolarHBondContact OD1-CE1 3.45Å; D220-F271 VanDerWaalsContact OD1-CZ 3.26Å; D220-F271 WeakPolarHBondContact OD1-CZ 3.27Å; P221-F271 HydrophobicContact CG-CE1 4.48Å; F227-F271 HydrophobicContact CD2-CD2 4.28Å; F227-F271 AromaticContact CE2-CD2 3.87Å; F227-F271 HydrophobicContact CE2-CD2 3.87Å; F227-F271 AromaticContact CE2-CE2 3.94Å; F227-F271 HydrophobicContact CE2-CE2 3.94Å; F227-F271 HydrophobicContact CZ-CE2 4.31Å; F271-P273 HydrophobicContact CD1-CB 4.49Å; F271-P273 HydrophobicContact CD1-CG 4.07Å; F271-P273 HydrophobicContact CE1-CB 4.3Å; F271-P273 HydrophobicContact CE1-CG 4.37Å; F271-P273 WeakPolarHBondContact O-CD 3.45Å; F271-K276 HydrophobicContact CE1-CD 4.38Å; F271-K276 HydrophobicContact CZ-CD 3.94Å; F271-E277 WeakPolarHBondContact CA-O 3.43Å; F271-A293 HydrophobicContact CD2-CB 4.1Å; F271-A293 HydrophobicContact CE2-CB 3.5Å; F271-A293 HydrophobicContact CZ-CB 4.49Å
272	L	98.1	Very high	97.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	95.1	-175.7	-71.8	74.1	0	0	0	108.7	V270 D274 R275 K276 E277 C279 Y316 Y345	V270-L272 HydrophobicContact CG1-CD1 4.06Å; V270-L272 WeakPolarHBondContact O-CD1 3.28Å; L272-D274 VanDerWaalsContact C-N 3.32Å; L272-D274 PolarHBondContact O-N 3.27Å; L272-R275 HydrophobicContact CB-CB 4.14Å; L272-R275 HydrophobicContact CB-CG 4.29Å; L272-R275 PolarHBondContact O-N 3.22Å; L272-K276 PolarHBondContact O-N 3.45Å; L272-E277 HydrophobicContact CB-CB 4.31Å; L272-E277 PolarHBondContact N-O 3.44Å; L272-C279 HydrophobicContact CD1-CB 4.03Å; L272-C279 WeakPolarHBondContact CD1-SG 3.19Å; L272-Y316 HydrophobicContact CB-CD1 4.23Å; L272-Y316 HydrophobicContact CB-CE1 4.1Å; L272-Y316 HydrophobicContact CD1-CG 4.47Å; L272-Y316 HydrophobicContact CD2-CD1 4.37Å; L272-Y316 HydrophobicContact CD2-CD2 3.71Å; L272-Y316 HydrophobicContact CD2-CE1 4.25Å; L272-Y316 HydrophobicContact CD2-CE2 3.57Å; L272-Y316 HydrophobicContact CD2-CG 4.1Å; L272-Y316 HydrophobicContact CG-CD1 3.76Å; L272-Y316 HydrophobicContact CG-CD2 3.87Å; L272-Y316 HydrophobicContact CG-CE1 3.93Å; L272-Y316 HydrophobicContact CG-CE2 4.04Å; L272-Y316 HydrophobicContact CG-CG 3.7Å; L272-Y345 HydrophobicContact CD2-CD2 3.66Å; L272-Y345 HydrophobicContact CD2-CE2 3.6Å
273	P	95.8	Very high	97.8	Very high	62 Å²	62	24.9 Å²	24.9	40%	0.403	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-31.7	-167.1	-22.2	33.6	0	0	0	114.7	P221 F271 R275	P221-P273 HydrophobicContact CG-CB 4.1Å; P221-P273 HydrophobicContact CG-CG 3.99Å; F271-P273 HydrophobicContact CD1-CB 4.49Å; F271-P273 HydrophobicContact CD1-CG 4.07Å; F271-P273 HydrophobicContact CE1-CB 4.3Å; F271-P273 HydrophobicContact CE1-CG 4.37Å; F271-P273 WeakPolarHBondContact O-CD 3.45Å; P273-R275 PolarHBondContact O-N 2.85Å
274	D	96.4	Very high	97.8	Very high	84 Å²	84	27 Å²	27	45%	0.449	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-13.4	176	61.9	-52	0	0	0	113.5	L272 Y316	L272-D274 VanDerWaalsContact C-N 3.32Å; L272-D274 PolarHBondContact O-N 3.27Å; D274-Y316 VanDerWaalsContact CG-OH 3.29Å; D274-Y316 WeakPolarHBondContact OD1-CE1 3.34Å; D274-Y316 PolarHBondContact OD1-OH 2.89Å; D274-Y316 VanDerWaalsContact OD1-OH 3.07Å; D274-Y316 PolarHBondContact OD2-OH 3.43Å
275	R	97	Very high	97.7	Very high	78 Å²	78	23.4 Å²	23.4	29%	0.294	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-18.5	-175	-51.1	-171.1	-176.5	-84.5	-9.9	114.1	L272 P273 E277 Y316 N321 Y345	L272-R275 HydrophobicContact CB-CB 4.14Å; L272-R275 HydrophobicContact CB-CG 4.29Å; L272-R275 PolarHBondContact O-N 3.22Å; P273-R275 PolarHBondContact O-N 2.85Å; R275-E277 HydrophobicContact CB-CB 4.12Å; R275-E277 HydrophobicContact CB-CG 3.97Å; R275-E277 PolarHBondContact O-N 2.82Å; R275-Y316 PolarHBondContact NE-OH 3.31Å; R275-Y316 PolarHBondContact NH2-OH 2.93Å; R275-N321 PolarHBondContact NH2-O 2.94Å; R275-Y345 VanDerWaalsContact CD-CE1 3.47Å; R275-Y345 VanDerWaalsContact CD-CZ 3.42Å; R275-Y345 VanDerWaalsContact NH1-CE1 3.29Å
276	K	97.9	Very high	97.6	Very high	71 Å²	71	22.4 Å²	22.4	31%	0.309	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	42.4	-167.3	-56.4	-56.9	-171.6	175.2	0	111.7	D220 E222 F271 L272 A293	D220-K276 IonicContact OD1-NZ 2.91Å; D220-K276 PolarHBondContact OD1-NZ 2.9Å; D220-K276 IonicContact OD2-NZ 2.78Å; E222-K276 VanDerWaalsContact OE2-CE 3.27Å; E222-K276 WeakPolarHBondContact OE2-CE 3.33Å; E222-K276 IonicContact OE2-NZ 3.53Å; E222-K276 PolarHBondContact OE2-NZ 2.91Å; F271-K276 HydrophobicContact CE1-CD 4.38Å; F271-K276 HydrophobicContact CZ-CD 3.94Å; L272-K276 PolarHBondContact O-N 3.45Å; K276-A293 VanDerWaalsContact O-CB 3.3Å; K276-A293 WeakPolarHBondContact O-CB 3.34Å; K276-A293 PolarHBondContact O-N 2.75Å
277	E	98.4	Very high	97.5	Very high	18 Å²	18	23 Å²	23	8%	0.084	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	154.3	175.5	-74.7	175.9	-133.1	0	0	111.2	F271 L272 R275 C290 F291 V299 Y345	F271-E277 WeakPolarHBondContact CA-O 3.43Å; L272-E277 HydrophobicContact CB-CB 4.31Å; L272-E277 PolarHBondContact N-O 3.44Å; R275-E277 HydrophobicContact CB-CB 4.12Å; R275-E277 HydrophobicContact CB-CG 3.97Å; R275-E277 PolarHBondContact O-N 2.82Å; E277-C290 WeakPolarHBondContact OE2-CB 3.49Å; E277-F291 CarbonylContact C-O 3.6Å; E277-F291 WeakPolarHBondContact CA-O 3.37Å; E277-F291 WeakPolarHBondContact CB-O 3.07Å; E277-V299 HydrophobicContact CG-CG2 4.11Å; E277-Y345 PolarHBondContact OE1-OH 3.16Å; E277-Y345 PolarHBondContact OE2-OH 3.33Å
278	V	98.6	Very high	97.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	124.8	163.1	60.2	0	0	0	0	109	A218 F227 W250 L269 V270 C290 F291 A293	A218-V278 HydrophobicContact CB-CG2 4.49Å; F227-V278 HydrophobicContact CB-CG2 4.44Å; F227-V278 HydrophobicContact CD1-CG1 4.33Å; W250-V278 HydrophobicContact CH2-CG1 4.39Å; W250-V278 HydrophobicContact CZ2-CG1 3.77Å; L269-V278 HydrophobicContact CD2-CG2 4.11Å; V270-V278 CarbonylContact O-C 3.55Å; V270-V278 WeakPolarHBondContact O-CA 3.18Å; V278-C290 WeakPolarHBondContact O-CA 3.35Å; V278-F291 HydrophobicContact CG1-CB 4.42Å; V278-F291 PolarHBondContact N-O 3.26Å; V278-F291 PolarHBondContact O-N 2.78Å; V278-A293 HydrophobicContact CB-CB 4.49Å; V278-A293 HydrophobicContact CG1-CB 4.34Å
279	C	98.7	Very high	97.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	146.5	174.5	-63.5	0	0	0	0	110.5	L269 V270 L272 I288 Q289 C290 I314	L269-C279 WeakPolarHBondContact CA-O 3.18Å; V270-C279 HydrophobicContact CG1-CB 3.99Å; V270-C279 PolarHBondContact N-O 2.77Å; V270-C279 PolarHBondContact O-N 3.39Å; L272-C279 HydrophobicContact CD1-CB 4.03Å; L272-C279 WeakPolarHBondContact CD1-SG 3.19Å; C279-I288 HydrophobicContact CB-CG2 4.2Å; C279-Q289 CarbonylContact C-O 3.51Å; C279-Q289 WeakPolarHBondContact CA-O 3.29Å; C279-C290 HydrophobicContact CB-CB 4.1Å; C279-C290 WeakPolarHBondContact CB-SG 3.49Å; C279-C290 WeakPolarHBondContact SG-CB 3.16Å; C279-C290 CovalentContact SG-SG 2.04Å; C279-C290 PolarHBondContact SG-SG 2.91Å; C279-I314 HydrophobicContact CB-CD1 3.93Å
280	V	98.8	Very high	97.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	127.4	-173.5	-169.8	0	0	0	0	109.5	I237 F263 P266 S268 L269 D282 I288 Q289 F291	I237-V280 HydrophobicContact CD1-CG1 3.95Å; I237-V280 HydrophobicContact CD1-CG2 4.03Å; I237-V280 HydrophobicContact CG1-CG2 4Å; F263-V280 HydrophobicContact CD1-CG1 4.4Å; F263-V280 HydrophobicContact CE1-CB 4.14Å; F263-V280 HydrophobicContact CE1-CG1 3.95Å; F263-V280 HydrophobicContact CE1-CG2 4.33Å; F263-V280 HydrophobicContact CZ-CB 4.48Å; F263-V280 HydrophobicContact CZ-CG1 4.33Å; F263-V280 HydrophobicContact CZ-CG2 4.2Å; P266-V280 HydrophobicContact CB-CG1 3.65Å; S268-V280 WeakPolarHBondContact O-CA 3.23Å; L269-V280 HydrophobicContact CD2-CB 4.11Å; L269-V280 HydrophobicContact CD2-CG1 4.01Å; L269-V280 HydrophobicContact CD2-CG2 3.66Å; V280-D282 PolarHBondContact O-N 2.89Å; V280-I288 VanDerWaalsContact O-CA 3.3Å; V280-I288 WeakPolarHBondContact O-CA 3.36Å; V280-Q289 PolarHBondContact N-O 2.94Å; V280-Q289 PolarHBondContact O-N 3.08Å; V280-F291 HydrophobicContact CG2-CD2 3.95Å; V280-F291 HydrophobicContact CG2-CE2 3.76Å
281	A	98.6	Very high	97.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	107.5	163.7	0	0	0	0	0	109	P266 H267 S268 R283 V311 I314	P266-A281 CarbonylContact C-O 3.21Å; P266-A281 WeakPolarHBondContact CA-O 3.38Å; H267-A281 PolarHBondContact N-O 3.04Å; S268-A281 PolarHBondContact O-N 3.25Å; A281-R283 PolarHBondContact O-N 3.28Å; A281-V311 HydrophobicContact CB-CG1 4.27Å; A281-I314 HydrophobicContact CB-CD1 4.35Å; A281-I314 HydrophobicContact CB-CG1 4.23Å; A281-I314 HydrophobicContact CB-CG2 4.31Å
282	D	97.7	Very high	97.3	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	78.5	179.7	-179.1	9	0	0	0	108.3	F263 R264 V280 E284 N285 G286 R287 Q289	F263-D282 VanDerWaalsContact CA-OD1 3.25Å; F263-D282 WeakPolarHBondContact CA-OD1 3.36Å; F263-D282 HydrophobicContact CD1-CB 3.96Å; R264-D282 PolarHBondContact N-OD1 3.03Å; V280-D282 PolarHBondContact O-N 2.89Å; D282-E284 PolarHBondContact O-N 2.84Å; D282-N285 PolarHBondContact O-N 2.84Å; D282-N285 VanDerWaalsContact O-N 3.08Å; D282-N285 PolarHBondContact OD1-ND2 3.29Å; D282-N285 PolarHBondContact OD2-ND2 2.85Å; D282-G286 PolarHBondContact O-N 3.3Å; D282-R287 HydrophobicContact CB-CG 3.89Å; D282-R287 WeakPolarHBondContact CB-O 3.42Å; D282-R287 PolarHBondContact N-O 2.98Å; D282-R287 IonicContact OD2-CZ 3.85Å; D282-R287 IonicContact OD2-NE 3.95Å; D282-R287 PolarHBondContact OD2-NE 2.79Å; D282-R287 IonicContact OD2-NH2 2.67Å; D282-R287 PolarHBondContact OD2-NH2 3.13Å; D282-Q289 PolarHBondContact OD2-NE2 3.03Å
283	R	97.2	Very high	97.3	Very high	32 Å²	32	24.1 Å²	24.1	12%	0.121	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-54.8	-61.3	-152.4	176.1	-175.7	147.6	-168.5	-9.7	112.5	I265 H267 A281 N285 G286 E310 V311 F312	I265-R283 HydrophobicContact CB-CB 4.38Å; I265-R283 WeakPolarHBondContact O-CB 3.44Å; I265-R283 PolarHBondContact O-N 3.37Å; H267-R283 HydrophobicContact CB-CB 3.78Å; A281-R283 PolarHBondContact O-N 3.28Å; R283-N285 PolarHBondContact O-N 3.34Å; R283-N285 VanDerWaalsContact O-N 3.17Å; R283-G286 PolarHBondContact O-N 2.85Å; R283-E310 HydrophobicContact CG-CB 4.18Å; R283-E310 HydrophobicContact CG-CG 4.18Å; R283-E310 IonicContact CZ-OE2 3.14Å; R283-E310 IonicContact NE-OE2 3.77Å; R283-E310 PolarHBondContact NE-OE2 2.84Å; R283-E310 IonicContact NH2-OE2 3.14Å; R283-E310 PolarHBondContact NH2-OE2 2.96Å; R283-E310 VanDerWaalsContact O-CA 3.31Å; R283-E310 WeakPolarHBondContact O-CA 3.41Å; R283-V311 VanDerWaalsContact CA-O 3.22Å; R283-V311 WeakPolarHBondContact CA-O 3.47Å; R283-V311 VanDerWaalsContact CB-O 3.28Å; R283-V311 WeakPolarHBondContact CB-O 3.33Å; R283-V311 WeakPolarHBondContact CG-O 3.34Å; R283-V311 PolarHBondContact O-N 2.98Å; R283-F312 HydrophobicContact CG-CD2 4.12Å; R283-F312 HydrophobicContact CG-CE2 4.36Å; R283-F312 VanDerWaalsContact CZ-CE2 3.45Å
284	E	95.6	Very high	97.3	Very high	50 Å²	50	27.1 Å²	27.1	23%	0.234	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-82	10.3	-175.2	-57	-151.9	-172.6	0	0	114.8	R264 I265 D282 E310	R264-E284 HydrophobicContact CB-CB 3.88Å; R264-E284 IonicContact CZ-OE2 3.28Å; R264-E284 VanDerWaalsContact CZ-OE2 3.28Å; R264-E284 PolarHBondContact NH1-O 3.44Å; R264-E284 IonicContact NH1-OE2 3.2Å; R264-E284 PolarHBondContact NH1-OE2 3.44Å; R264-E284 IonicContact NH2-OE2 2.66Å; R264-E284 PolarHBondContact NH2-OE2 2.86Å; R264-E284 PolarHBondContact O-N 2.82Å; I265-E284 HydrophobicContact CD1-CG 4.06Å; I265-E284 HydrophobicContact CG1-CG 4.37Å; D282-E284 PolarHBondContact O-N 2.84Å; E284-E310 HydrophobicContact CG-CG 4.41Å
285	N	94.6	Very high	97.3	Very high	26 Å²	26	26.8 Å²	26.8	14%	0.139	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-101.6	-3.9	162.2	-73.6	-49.9	0	0	0	111.8	P262 R264 D282 R283 R287 K303	P262-N285 PolarHBondContact O-ND2 3.4Å; R264-N285 PolarHBondContact N-ND2 3.13Å; D282-N285 PolarHBondContact O-N 2.84Å; D282-N285 VanDerWaalsContact O-N 3.08Å; D282-N285 PolarHBondContact OD1-ND2 3.29Å; D282-N285 PolarHBondContact OD2-ND2 2.85Å; R283-N285 PolarHBondContact O-N 3.34Å; R283-N285 VanDerWaalsContact O-N 3.17Å; N285-R287 HydrophobicContact CB-CG 3.93Å; N285-R287 PolarHBondContact O-N 2.77Å; N285-K303 PolarHBondContact O-NZ 3.29Å
286	G	95.4	Very high	97.2	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.01	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	44.2	178.8	0	0	0	0	0	112.9	D282 R283 K303 G309	D282-G286 PolarHBondContact O-N 3.3Å; R283-G286 PolarHBondContact O-N 2.85Å; G286-K303 WeakPolarHBondContact O-CE 3.44Å; G286-K303 WeakPolarHBondContact O-CG 3.28Å; G286-G309 WeakPolarHBondContact CA-O 3.26Å; G286-G309 PolarHBondContact N-O 2.87Å
287	R	96.1	Very high	97	Very high	12 Å²	12	23.4 Å²	23.4	5%	0.045	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	161.4	-176.1	67.2	-178.5	173.9	164.2	-0.3	112.5	T261 D282 N285 Q289 E301 I302 K303	T261-R287 PolarHBondContact O-NH2 3.41Å; D282-R287 HydrophobicContact CB-CG 3.89Å; D282-R287 WeakPolarHBondContact CB-O 3.42Å; D282-R287 PolarHBondContact N-O 2.98Å; D282-R287 IonicContact OD2-CZ 3.85Å; D282-R287 IonicContact OD2-NE 3.95Å; D282-R287 PolarHBondContact OD2-NE 2.79Å; D282-R287 IonicContact OD2-NH2 2.67Å; D282-R287 PolarHBondContact OD2-NH2 3.13Å; N285-R287 HydrophobicContact CB-CG 3.93Å; N285-R287 PolarHBondContact O-N 2.77Å; R287-Q289 VanDerWaalsContact NH2-NE2 3.16Å; R287-E301 HydrophobicContact CB-CG 4.22Å; R287-E301 VanDerWaalsContact CD-OE2 3.24Å; R287-E301 WeakPolarHBondContact CD-OE2 3.37Å; R287-E301 IonicContact CZ-OE2 2.75Å; R287-E301 IonicContact NE-OE2 2.79Å; R287-E301 IonicContact NH1-OE2 3.17Å; R287-E301 PolarHBondContact NH1-OE2 2.97Å; R287-I302 CarbonylContact C-O 3.59Å; R287-I302 WeakPolarHBondContact CA-O 3.06Å; R287-I302 WeakPolarHBondContact CB-O 3.38Å; R287-K303 HydrophobicContact CB-CB 3.99Å; R287-K303 HydrophobicContact CB-CD 4.24Å; R287-K303 HydrophobicContact CB-CG 4.42Å
288	I	98.3	Very high	96.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	136.5	169.6	-56.2	160.6	0	0	0	107.4	C279 V280 E301 I302 V311 I314 I324 A326 L343	C279-I288 HydrophobicContact CB-CG2 4.2Å; V280-I288 VanDerWaalsContact O-CA 3.3Å; V280-I288 WeakPolarHBondContact O-CA 3.36Å; I288-E301 CarbonylContact O-C 3.57Å; I288-E301 VanDerWaalsContact O-CA 3.29Å; I288-E301 WeakPolarHBondContact O-CA 3.42Å; I288-I302 HydrophobicContact CB-CB 4.25Å; I288-I302 PolarHBondContact N-O 3.48Å; I288-I302 PolarHBondContact O-N 3.35Å; I288-V311 HydrophobicContact CG1-CG1 4.24Å; I288-I314 HydrophobicContact CD1-CG2 3.66Å; I288-I314 HydrophobicContact CG1-CG2 3.82Å; I288-I314 HydrophobicContact CG2-CD1 3.79Å; I288-I324 HydrophobicContact CD1-CG2 4.15Å; I288-A326 HydrophobicContact CD1-CB 4.28Å; I288-L343 HydrophobicContact CD1-CD1 3.83Å
289	Q	97.5	Very high	96.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	133.4	173	-70.7	179.9	78.7	0	0	110.4	A252 G253 F263 C279 V280 D282 R287 F291 F298 K300 E301	A252-Q289 VanDerWaalsContact CB-NE2 3.32Å; G253-Q289 VanDerWaalsContact N-OE1 3.12Å; F263-Q289 HydrophobicContact CE1-CB 4.49Å; C279-Q289 CarbonylContact C-O 3.51Å; C279-Q289 WeakPolarHBondContact CA-O 3.29Å; V280-Q289 PolarHBondContact N-O 2.94Å; V280-Q289 PolarHBondContact O-N 3.08Å; D282-Q289 PolarHBondContact OD2-NE2 3.03Å; R287-Q289 VanDerWaalsContact NH2-NE2 3.16Å; Q289-F291 HydrophobicContact CB-CE2 3.53Å; Q289-F291 HydrophobicContact CB-CZ 3.74Å; Q289-F298 HydrophobicContact CG-CE2 4.22Å; Q289-K300 CarbonylContact C-O 3.6Å; Q289-K300 WeakPolarHBondContact CA-O 3.38Å; Q289-E301 HydrophobicContact CG-CB 4.46Å; Q289-E301 HydrophobicContact CG-CG 4.35Å
290	C	97.8	Very high	96.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	140.8	177.4	-52.5	0	0	0	0	111.2	E277 V278 C279 V299 K300	E277-C290 WeakPolarHBondContact OE2-CB 3.49Å; V278-C290 WeakPolarHBondContact O-CA 3.35Å; C279-C290 HydrophobicContact CB-CB 4.1Å; C279-C290 WeakPolarHBondContact CB-SG 3.49Å; C279-C290 WeakPolarHBondContact SG-CB 3.16Å; C279-C290 CovalentContact SG-SG 2.04Å; C279-C290 PolarHBondContact SG-SG 2.91Å; C290-V299 WeakPolarHBondContact O-CB 3.3Å; C290-V299 PolarHBondContact O-N 3.26Å; C290-K300 HydrophobicContact CB-CG 3.86Å; C290-K300 PolarHBondContact N-O 2.84Å; C290-K300 PolarHBondContact O-N 2.81Å
291	F	97.7	Very high	96.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	147.6	-173.8	-56.4	-95.4	0	0	0	110.4	W250 F263 E277 V278 V280 Q289 A293 E297 F298	W250-F291 AromaticContact CD1-CD1 3.86Å; W250-F291 AromaticContact NE1-CD1 3.7Å; W250-F291 AromaticContact NE1-CD2 3.87Å; W250-F291 AromaticContact NE1-CG 3.55Å; F263-F291 AromaticContact CE1-CE2 4Å; F263-F291 HydrophobicContact CE1-CE2 4Å; F263-F291 AromaticContact CE1-CZ 3.95Å; F263-F291 HydrophobicContact CE1-CZ 3.95Å; F263-F291 AromaticContact CZ-CE2 3.66Å; F263-F291 HydrophobicContact CZ-CE2 3.66Å; F263-F291 AromaticContact CZ-CZ 3.56Å; F263-F291 HydrophobicContact CZ-CZ 3.56Å; E277-F291 CarbonylContact C-O 3.6Å; E277-F291 WeakPolarHBondContact CA-O 3.37Å; E277-F291 WeakPolarHBondContact CB-O 3.07Å; V278-F291 HydrophobicContact CG1-CB 4.42Å; V278-F291 PolarHBondContact N-O 3.26Å; V278-F291 PolarHBondContact O-N 2.78Å; V280-F291 HydrophobicContact CG2-CD2 3.95Å; V280-F291 HydrophobicContact CG2-CE2 3.76Å; Q289-F291 HydrophobicContact CB-CE2 3.53Å; Q289-F291 HydrophobicContact CB-CZ 3.74Å; F291-A293 PolarHBondContact O-N 3.32Å; F291-E297 CarbonylContact C-O 3.59Å; F291-E297 WeakPolarHBondContact CA-O 3.33Å; F291-F298 HydrophobicContact CD1-CB 4.22Å; F291-F298 HydrophobicContact CE1-CB 4.12Å; F291-F298 HydrophobicContact CE1-CD2 4.19Å; F291-F298 HydrophobicContact CZ-CD2 4.47Å
292	I	97.8	Very high	96.1	Very high	69 Å²	69	30.3 Å²	30.3	35%	0.354	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	119.6	169.3	-55.9	-177.6	0	0	0	107.1	E294 T295 G296 E297 V299	I292-E294 PolarHBondContact O-N 2.92Å; I292-T295 PolarHBondContact O-N 2.81Å; I292-G296 WeakPolarHBondContact O-CA 3.39Å; I292-G296 PolarHBondContact O-N 2.83Å; I292-E297 HydrophobicContact CD1-CB 4.33Å; I292-E297 HydrophobicContact CG1-CB 4.49Å; I292-E297 PolarHBondContact N-O 3.49Å; I292-V299 HydrophobicContact CD1-CG2 4.48Å; I292-V299 HydrophobicContact CG1-CG2 3.5Å
293	A	97.7	Very high	95.9	Very high	4 Å²	4	36.4 Å²	36.4	3%	0.033	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-17.7	-171.8	0	0	0	0	0	113.3	F227 K239 F271 K276 V278 F291	F227-A293 HydrophobicContact CE1-CB 4.07Å; F227-A293 WeakPolarHBondContact CE1-O 3.15Å; F227-A293 HydrophobicContact CE2-CB 4.49Å; F227-A293 HydrophobicContact CZ-CB 3.76Å; K239-A293 PolarHBondContact NZ-O 3.12Å; K239-A293 VanDerWaalsContact NZ-O 3.15Å; F271-A293 HydrophobicContact CD2-CB 4.1Å; F271-A293 HydrophobicContact CE2-CB 3.5Å; F271-A293 HydrophobicContact CZ-CB 4.49Å; K276-A293 VanDerWaalsContact O-CB 3.3Å; K276-A293 WeakPolarHBondContact O-CB 3.34Å; K276-A293 PolarHBondContact O-N 2.75Å; V278-A293 HydrophobicContact CB-CB 4.49Å; V278-A293 HydrophobicContact CG1-CB 4.34Å; F291-A293 PolarHBondContact O-N 3.32Å
294	E	96.2	Very high	95.7	Very high	125 Å²	125	37.1 Å²	37.1	58%	0.584	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-55.1	173	-168.4	46.9	-132.2	0	0	112.4	K239 I292	K239-E294 PolarHBondContact NZ-O 2.77Å; K239-E294 IonicContact NZ-OE1 2.75Å; K239-E294 PolarHBondContact NZ-OE1 2.96Å; K239-E294 IonicContact NZ-OE2 3.21Å; K239-E294 PolarHBondContact NZ-OE2 3.3Å; I292-E294 PolarHBondContact O-N 2.92Å
295	T	95.1	Very high	95.5	Very high	77 Å²	77	43.5 Å²	43.5	47%	0.472	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-13.2	-171.2	58.6	0	0	0	0	114.7	I292 E297	I292-T295 PolarHBondContact O-N 2.81Å; T295-E297 WeakPolarHBondContact CB-OE2 3.25Å; T295-E297 PolarHBondContact O-N 3.1Å; T295-E297 WeakPolarHBondContact OG1-CB 3.47Å; T295-E297 VanDerWaalsContact OG1-CG 3.25Å; T295-E297 WeakPolarHBondContact OG1-CG 3.38Å; T295-E297 PolarHBondContact OG1-OE2 3.07Å
296	G	94.8	Very high	95.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.231	C	C	.	.			trans	69.4	18.6	-172.2	0	0	0	0	0	113.6	S254 I292	S254-G296 WeakPolarHBondContact CB-O 3.45Å; S254-G296 PolarHBondContact OG-O 2.83Å; I292-G296 WeakPolarHBondContact O-CA 3.39Å; I292-G296 PolarHBondContact O-N 2.83Å
297	E	93.8	Very high	95.4	Very high	78 Å²	78	46.7 Å²	46.7	36%	0.364	23%	0.231	S	C	.	.			trans	-83.5	138.8	-177.4	-69.4	-179.8	113.4	0	0	112.4	S255 F291 I292 T295 V299	S255-E297 PolarHBondContact OG-OE1 3.31Å; F291-E297 CarbonylContact C-O 3.59Å; F291-E297 WeakPolarHBondContact CA-O 3.33Å; I292-E297 HydrophobicContact CD1-CB 4.33Å; I292-E297 HydrophobicContact CG1-CB 4.49Å; I292-E297 PolarHBondContact N-O 3.49Å; T295-E297 WeakPolarHBondContact CB-OE2 3.25Å; T295-E297 PolarHBondContact O-N 3.1Å; T295-E297 WeakPolarHBondContact OG1-CB 3.47Å; T295-E297 VanDerWaalsContact OG1-CG 3.25Å; T295-E297 WeakPolarHBondContact OG1-CG 3.38Å; T295-E297 PolarHBondContact OG1-OE2 3.07Å; E297-V299 PolarHBondContact O-N 2.96Å
298	F	95.1	Very high	94.9	Very high	39 Å²	39	46.5 Å²	46.5	17%	0.171	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	122.2	-179.2	173.5	-92.4	0	0	0	112.6	S254 D256 Q289 F291 K300 E301	S254-F298 WeakPolarHBondContact O-CB 3.36Å; S254-F298 PolarHBondContact O-N 3.13Å; S254-F298 VanDerWaalsContact O-N 3.13Å; D256-F298 HydrophobicContact CB-CD1 4.25Å; Q289-F298 HydrophobicContact CG-CE2 4.22Å; F291-F298 HydrophobicContact CD1-CB 4.22Å; F291-F298 HydrophobicContact CE1-CB 4.12Å; F291-F298 HydrophobicContact CE1-CD2 4.19Å; F291-F298 HydrophobicContact CZ-CD2 4.47Å; F298-K300 WeakPolarHBondContact CE2-O 3.46Å; F298-E301 HydrophobicContact CE2-CB 4Å; F298-E301 HydrophobicContact CZ-CB 3.83Å; F298-E301 VanDerWaalsContact CZ-N 3.35Å
299	V	94.6	Very high	94.2	Very high	57 Å²	57	47.4 Å²	47.4	35%	0.345	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-55.3	174.3	-178.7	0	0	0	0	110.7	E277 C290 I292 E297	E277-V299 HydrophobicContact CG-CG2 4.11Å; C290-V299 WeakPolarHBondContact O-CB 3.3Å; C290-V299 PolarHBondContact O-N 3.26Å; I292-V299 HydrophobicContact CD1-CG2 4.48Å; I292-V299 HydrophobicContact CG1-CG2 3.5Å; E297-V299 PolarHBondContact O-N 2.96Å
300	K	93.4	Very high	94.1	Very high	28 Å²	28	47.6 Å²	47.6	12%	0.122	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	159.1	-174.4	60.5	174.1	60.3	172.1	0	113.4	Q289 C290 F298 Y345	Q289-K300 CarbonylContact C-O 3.6Å; Q289-K300 WeakPolarHBondContact CA-O 3.38Å; C290-K300 HydrophobicContact CB-CG 3.86Å; C290-K300 PolarHBondContact N-O 2.84Å; C290-K300 PolarHBondContact O-N 2.81Å; F298-K300 WeakPolarHBondContact CE2-O 3.46Å; K300-Y345 HydrophobicContact CD-CD2 4.45Å; K300-Y345 HydrophobicContact CD-CE1 4.48Å; K300-Y345 HydrophobicContact CD-CE2 3.83Å; K300-Y345 WeakPolarHBondContact CE-OH 3.21Å; K300-Y345 PolarHBondContact NZ-O 2.81Å; K300-Y345 PolarHBondContact NZ-OH 3.49Å
301	E	95.3	Very high	94.1	Very high	35 Å²	35	47.7 Å²	47.7	16%	0.164	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	140.6	166	-178.7	-174.7	80.4	0	0	108.7	R259 R287 I288 Q289 F298 K348	R259-E301 IonicContact CZ-OE1 3.22Å; R259-E301 IonicContact NH1-OE1 2.78Å; R259-E301 PolarHBondContact NH1-OE1 3.41Å; R259-E301 IonicContact NH1-OE2 2.77Å; R259-E301 PolarHBondContact NH1-OE2 3.43Å; R259-E301 VanDerWaalsContact NH1-OE2 3.14Å; R287-E301 HydrophobicContact CB-CG 4.22Å; R287-E301 VanDerWaalsContact CD-OE2 3.24Å; R287-E301 WeakPolarHBondContact CD-OE2 3.37Å; R287-E301 IonicContact CZ-OE2 2.75Å; R287-E301 IonicContact NE-OE2 2.79Å; R287-E301 IonicContact NH1-OE2 3.17Å; R287-E301 PolarHBondContact NH1-OE2 2.97Å; I288-E301 CarbonylContact O-C 3.57Å; I288-E301 VanDerWaalsContact O-CA 3.29Å; I288-E301 WeakPolarHBondContact O-CA 3.42Å; Q289-E301 HydrophobicContact CG-CB 4.46Å; Q289-E301 HydrophobicContact CG-CG 4.35Å; F298-E301 HydrophobicContact CE2-CB 4Å; F298-E301 HydrophobicContact CZ-CB 3.83Å; F298-E301 VanDerWaalsContact CZ-N 3.35Å; E301-K348 WeakPolarHBondContact O-CD 3.34Å; E301-K348 WeakPolarHBondContact O-CE 3.28Å; E301-K348 PolarHBondContact O-NZ 2.8Å
302	I	96	Very high	94.1	Very high	3 Å²	3	48 Å²	48	2%	0.015	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	123	167.2	-56.3	175.1	0	0	0	106.6	R287 I288 F307 I324 L343 K348	R287-I302 CarbonylContact C-O 3.59Å; R287-I302 WeakPolarHBondContact CA-O 3.06Å; R287-I302 WeakPolarHBondContact CB-O 3.38Å; I288-I302 HydrophobicContact CB-CB 4.25Å; I288-I302 PolarHBondContact N-O 3.48Å; I288-I302 PolarHBondContact O-N 3.35Å; I302-F307 HydrophobicContact CG2-CZ 4.43Å; I302-I324 HydrophobicContact CD1-CD1 3.84Å; I302-L343 HydrophobicContact CG2-CD1 4.47Å; I302-L343 HydrophobicContact CG2-CD2 4.36Å; I302-K348 HydrophobicContact CD1-CG 4.48Å; I302-K348 HydrophobicContact CG1-CB 4.15Å; I302-K348 HydrophobicContact CG1-CD 4.05Å; I302-K348 HydrophobicContact CG1-CG 3.94Å; I302-K348 HydrophobicContact CG2-CB 4.23Å
303	K	94.2	Very high	94.1	Very high	129 Å²	129	44.7 Å²	44.7	56%	0.561	23%	0.228	S	C	*	.			trans	-142.8	133.2	173.5	177.2	157.8	-169.6	158	0	108.4	N285 G286 R287	N285-K303 PolarHBondContact O-NZ 3.29Å; G286-K303 WeakPolarHBondContact O-CE 3.44Å; G286-K303 WeakPolarHBondContact O-CG 3.28Å; R287-K303 HydrophobicContact CB-CB 3.99Å; R287-K303 HydrophobicContact CB-CD 4.24Å; R287-K303 HydrophobicContact CB-CG 4.42Å
304	N	93.3	Very high	94.2	Very high	46 Å²	46	44.7 Å²	44.7	25%	0.246	23%	0.227	C	C	.	.			trans	-131.4	151.1	172.7	-166.3	-12.1	0	0	0	109	D306 F307 I350	N304-D306 VanDerWaalsContact C-N 3.3Å; N304-D306 PolarHBondContact ND2-OD2 3.32Å; N304-D306 PolarHBondContact OD1-N 3.28Å; N304-D306 PolarHBondContact OD1-OD2 3.04Å; N304-F307 HydrophobicContact CB-CD1 4.5Å; N304-F307 HydrophobicContact CB-CD2 4.37Å; N304-F307 HydrophobicContact CB-CE1 4.36Å; N304-F307 HydrophobicContact CB-CE2 4.24Å; N304-F307 HydrophobicContact CB-CG 4.49Å; N304-F307 HydrophobicContact CB-CZ 4.23Å; N304-I350 HydrophobicContact CB-CD1 4.4Å; N304-I350 WeakPolarHBondContact ND2-CD1 3.44Å
305	E	91.7	Very high	94.3	Very high	184 Å²	184	39.8 Å²	39.8	86%	0.86	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-68.8	-31.6	174	-58.9	-174.3	168.2	0	0	111	F307 G308	E305-F307 PolarHBondContact O-N 2.86Å; E305-F307 VanDerWaalsContact O-N 3.11Å; E305-G308 PolarHBondContact O-N 3.09Å
306	D	92.6	Very high	94.4	Very high	93 Å²	93	37 Å²	37	50%	0.497	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-58.2	-23.2	176.8	-63.7	-46.8	0	0	0	114.1	N304 G308 F341 I350	N304-D306 VanDerWaalsContact C-N 3.3Å; N304-D306 PolarHBondContact ND2-OD2 3.32Å; N304-D306 PolarHBondContact OD1-N 3.28Å; N304-D306 PolarHBondContact OD1-OD2 3.04Å; D306-G308 PolarHBondContact O-N 2.67Å; D306-F341 HydrophobicContact CB-CE1 4.15Å; D306-F341 WeakPolarHBondContact O-CZ 3.4Å; D306-I350 HydrophobicContact CB-CD1 3.71Å
307	F	93.6	Very high	94.5	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.009	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-65.6	-18.7	174.1	-60.7	-24.5	0	0	0	112.5	I302 N304 E305 G309 V311 N328 F341 L343 I350	I302-F307 HydrophobicContact CG2-CZ 4.43Å; N304-F307 HydrophobicContact CB-CD1 4.5Å; N304-F307 HydrophobicContact CB-CD2 4.37Å; N304-F307 HydrophobicContact CB-CE1 4.36Å; N304-F307 HydrophobicContact CB-CE2 4.24Å; N304-F307 HydrophobicContact CB-CG 4.49Å; N304-F307 HydrophobicContact CB-CZ 4.23Å; E305-F307 PolarHBondContact O-N 2.86Å; E305-F307 VanDerWaalsContact O-N 3.11Å; F307-G309 PolarHBondContact O-N 3.07Å; F307-G309 VanDerWaalsContact O-N 3.08Å; F307-V311 HydrophobicContact CB-CG2 4.06Å; F307-V311 HydrophobicContact CD2-CG2 3.59Å; F307-V311 HydrophobicContact CE2-CG2 4.12Å; F307-V311 HydrophobicContact CG-CG2 3.86Å; F307-N328 WeakPolarHBondContact O-CB 3.05Å; F307-N328 PolarHBondContact O-ND2 2.78Å; F307-F341 HydrophobicContact CD1-CD2 4.06Å; F307-F341 HydrophobicContact CD1-CE2 4.06Å; F307-F341 HydrophobicContact CD1-CG 4.33Å; F307-F341 HydrophobicContact CD1-CZ 4.3Å; F307-F341 HydrophobicContact CE1-CD2 4.28Å; F307-F341 HydrophobicContact CE1-CG 4.23Å; F307-L343 HydrophobicContact CE1-CD1 4.33Å; F307-L343 HydrophobicContact CE1-CD2 4.3Å; F307-L343 HydrophobicContact CZ-CD1 3.95Å; F307-L343 HydrophobicContact CZ-CD2 4.1Å; F307-I350 HydrophobicContact CE1-CD1 4.41Å
308	G	86.4	Confident	94.5	Very high	8 Å²	8	38.6 Å²	38.6	8%	0.082	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	-7	174.3	0	0	0	0	0	116.4	E305 D306 H334	E305-G308 PolarHBondContact O-N 3.09Å; D306-G308 PolarHBondContact O-N 2.67Å; G308-H334 CarbonylContact O-C 3.51Å; G308-H334 VanDerWaalsContact O-C 3.28Å; G308-H334 WeakPolarHBondContact O-CB 3.46Å
309	G	84.5	Confident	94.1	Very high	19 Å²	19	37.9 Å²	37.9	20%	0.196	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	139.8	-34.9	170.3	0	0	0	0	0	114.7	G286 F307	G286-G309 WeakPolarHBondContact CA-O 3.26Å; G286-G309 PolarHBondContact N-O 2.87Å; F307-G309 PolarHBondContact O-N 3.07Å; F307-G309 VanDerWaalsContact O-N 3.08Å
310	E	94.8	Very high	93.5	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.019	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	141.3	-178.5	-81.1	173.7	-126	0	0	112.6	R283 E284 F312 N328 G329 S331	R283-E310 HydrophobicContact CG-CB 4.18Å; R283-E310 HydrophobicContact CG-CG 4.18Å; R283-E310 IonicContact CZ-OE2 3.14Å; R283-E310 IonicContact NE-OE2 3.77Å; R283-E310 PolarHBondContact NE-OE2 2.84Å; R283-E310 IonicContact NH2-OE2 3.14Å; R283-E310 PolarHBondContact NH2-OE2 2.96Å; R283-E310 VanDerWaalsContact O-CA 3.31Å; R283-E310 WeakPolarHBondContact O-CA 3.41Å; E284-E310 HydrophobicContact CG-CG 4.41Å; E310-F312 HydrophobicContact CB-CD2 4.48Å; E310-F312 HydrophobicContact CB-CE2 4.39Å; E310-N328 CarbonylContact O-C 3.53Å; E310-N328 WeakPolarHBondContact O-CA 3.31Å; E310-N328 WeakPolarHBondContact O-CB 3.46Å; E310-G329 PolarHBondContact O-N 3.14Å; E310-S331 WeakPolarHBondContact OE1-CA 3.39Å; E310-S331 VanDerWaalsContact OE1-CB 3.31Å; E310-S331 WeakPolarHBondContact OE1-CB 3.44Å; E310-S331 PolarHBondContact OE1-OG 2.67Å
311	V	97.1	Very high	93.1	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	110.4	173.4	179.8	0	0	0	0	108	A281 R283 I288 F307 I314 A326	A281-V311 HydrophobicContact CB-CG1 4.27Å; R283-V311 VanDerWaalsContact CA-O 3.22Å; R283-V311 WeakPolarHBondContact CA-O 3.47Å; R283-V311 VanDerWaalsContact CB-O 3.28Å; R283-V311 WeakPolarHBondContact CB-O 3.33Å; R283-V311 WeakPolarHBondContact CG-O 3.34Å; R283-V311 PolarHBondContact O-N 2.98Å; I288-V311 HydrophobicContact CG1-CG1 4.24Å; F307-V311 HydrophobicContact CB-CG2 4.06Å; F307-V311 HydrophobicContact CD2-CG2 3.59Å; F307-V311 HydrophobicContact CE2-CG2 4.12Å; F307-V311 HydrophobicContact CG-CG2 3.86Å; V311-I314 HydrophobicContact CG1-CG2 4.17Å; V311-A326 HydrophobicContact CG1-CB 4.41Å
312	F	97.5	Very high	93.1	Very high	7 Å²	7	39.6 Å²	39.6	3%	0.031	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-52.1	-173.7	-93.2	-118.6	0	0	0	111.7	H267 R283 E310 V327 M363 P364	H267-F312 AromaticContact CE1-CD1 3.57Å; H267-F312 PolarHBondContact ND1-O 2.92Å; H267-F312 AromaticContact NE2-CD1 3.91Å; R283-F312 HydrophobicContact CG-CD2 4.12Å; R283-F312 HydrophobicContact CG-CE2 4.36Å; R283-F312 VanDerWaalsContact CZ-CE2 3.45Å; E310-F312 HydrophobicContact CB-CD2 4.48Å; E310-F312 HydrophobicContact CB-CE2 4.39Å; F312-V327 HydrophobicContact CB-CG2 4.33Å; F312-V327 PolarHBondContact N-O 3.24Å; F312-M363 HydrophobicContact CD1-CG 4.35Å; F312-M363 HydrophobicContact CE1-CG 3.57Å; F312-M363 HydrophobicContact CE1-SD 3.87Å; F312-M363 HydrophobicContact CZ-CG 3.97Å; F312-M363 HydrophobicContact CZ-SD 4.13Å; F312-P364 WeakPolarHBondContact CB-O 3.35Å
313	A	98.6	Very high	93.1	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	156.3	-174.3	0	0	0	0	0	113.5	A326 V327 H365 D366 I367	A313-A326 WeakPolarHBondContact O-CA 3.22Å; A313-V327 HydrophobicContact CB-CG2 3.9Å; A313-V327 PolarHBondContact O-N 2.9Å; A313-H365 WeakPolarHBondContact CB-O 3.23Å; A313-D366 HydrophobicContact CB-CB 4.47Å; A313-I367 HydrophobicContact CB-CG2 4Å
314	I	98.8	Very high	93.3	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.021	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	147.8	179.4	56.5	177.6	0	0	0	111.5	S268 V270 C279 A281 I288 V311 I324 F325 A326	S268-I314 PolarHBondContact OG-N 2.94Å; S268-I314 PolarHBondContact OG-O 3.06Å; V270-I314 HydrophobicContact CG1-CD1 3.95Å; V270-I314 HydrophobicContact CG1-CG1 3.99Å; C279-I314 HydrophobicContact CB-CD1 3.93Å; A281-I314 HydrophobicContact CB-CD1 4.35Å; A281-I314 HydrophobicContact CB-CG1 4.23Å; A281-I314 HydrophobicContact CB-CG2 4.31Å; I288-I314 HydrophobicContact CD1-CG2 3.66Å; I288-I314 HydrophobicContact CG1-CG2 3.82Å; I288-I314 HydrophobicContact CG2-CD1 3.79Å; V311-I314 HydrophobicContact CG1-CG2 4.17Å; I314-I324 HydrophobicContact CB-CG2 4.19Å; I314-I324 HydrophobicContact CG2-CG2 4.19Å; I314-F325 CarbonylContact C-O 3.53Å; I314-F325 VanDerWaalsContact CA-O 3.24Å; I314-F325 WeakPolarHBondContact CA-O 3.27Å; I314-A326 HydrophobicContact CG2-CB 3.89Å
315	T	98.7	Very high	93.6	Very high	21 Å²	21	31.8 Å²	31.8	13%	0.129	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	167.8	169.1	-169.8	0	0	0	0	110.1	I324 F325 I367 V369	T315-I324 CarbonylContact O-C 3.57Å; T315-I324 WeakPolarHBondContact O-CA 3.49Å; T315-F325 HydrophobicContact CG2-CB 3.76Å; T315-F325 HydrophobicContact CG2-CD2 4.29Å; T315-F325 HydrophobicContact CG2-CG 4.36Å; T315-F325 PolarHBondContact N-O 3.31Å; T315-F325 PolarHBondContact O-N 3.08Å; T315-I367 VanDerWaalsContact CB-O 3.23Å; T315-I367 WeakPolarHBondContact CB-O 3.35Å; T315-I367 HydrophobicContact CG2-CG1 4.15Å; T315-I367 HydrophobicContact CG2-CG2 4.26Å; T315-I367 WeakPolarHBondContact CG2-O 3.46Å; T315-V369 HydrophobicContact CG2-CB 4.34Å; T315-V369 HydrophobicContact CG2-CG1 3.94Å
316	Y	98	Very high	93.9	Very high	20 Å²	20	23 Å²	23	8%	0.078	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	139.8	-171.6	179.9	-106.6	0	0	0	111.7	L272 D274 R275 P318 G322 L323 I324	L272-Y316 HydrophobicContact CB-CD1 4.23Å; L272-Y316 HydrophobicContact CB-CE1 4.1Å; L272-Y316 HydrophobicContact CD1-CG 4.47Å; L272-Y316 HydrophobicContact CD2-CD1 4.37Å; L272-Y316 HydrophobicContact CD2-CD2 3.71Å; L272-Y316 HydrophobicContact CD2-CE1 4.25Å; L272-Y316 HydrophobicContact CD2-CE2 3.57Å; L272-Y316 HydrophobicContact CD2-CG 4.1Å; L272-Y316 HydrophobicContact CG-CD1 3.76Å; L272-Y316 HydrophobicContact CG-CD2 3.87Å; L272-Y316 HydrophobicContact CG-CE1 3.93Å; L272-Y316 HydrophobicContact CG-CE2 4.04Å; L272-Y316 HydrophobicContact CG-CG 3.7Å; D274-Y316 VanDerWaalsContact CG-OH 3.29Å; D274-Y316 WeakPolarHBondContact OD1-CE1 3.34Å; D274-Y316 PolarHBondContact OD1-OH 2.89Å; D274-Y316 VanDerWaalsContact OD1-OH 3.07Å; D274-Y316 PolarHBondContact OD2-OH 3.43Å; R275-Y316 PolarHBondContact NE-OH 3.31Å; R275-Y316 PolarHBondContact NH2-OH 2.93Å; Y316-P318 HydrophobicContact CE1-CB 4.11Å; Y316-G322 WeakPolarHBondContact OH-CA 3.28Å; Y316-L323 WeakPolarHBondContact CA-O 3.3Å; Y316-L323 WeakPolarHBondContact CD2-O 3.34Å; Y316-I324 HydrophobicContact CD2-CG1 4Å
317	S	96.3	Very high	94.2	Very high	26 Å²	26	18.6 Å²	18.6	18%	0.182	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	134	164	177.8	0	0	0	0	109.4	A319 G322 L323	S317-A319 PolarHBondContact O-N 2.94Å; S317-A319 WeakPolarHBondContact OG-CB 3.45Å; S317-A319 PolarHBondContact OG-N 3.08Å; S317-G322 CarbonylContact O-C 3.53Å; S317-G322 WeakPolarHBondContact O-CA 3.32Å; S317-L323 PolarHBondContact N-O 3.34Å; S317-L323 PolarHBondContact O-N 3.33Å
318	P	94.1	Very high	94.3	Very high	85 Å²	85	18.5 Å²	18.5	55%	0.552	13%	0.127	S	C	*	.			trans	-71.7	-0.3	173.8	32	-36.2	0	0	0	113.3	Y316	Y316-P318 HydrophobicContact CE1-CB 4.11Å
319	A	87.1	Confident	94.6	Very high	24 Å²	24	18.3 Å²	18.3	20%	0.198	13%	0.125	C	C	.	.	S	Bend	trans	-57.6	142.5	179.4	0	0	0	0	0	112.7	S317 N321 G322	S317-A319 PolarHBondContact O-N 2.94Å; S317-A319 WeakPolarHBondContact OG-CB 3.45Å; S317-A319 PolarHBondContact OG-N 3.08Å; A319-N321 PolarHBondContact O-N 3.11Å; A319-G322 PolarHBondContact O-N 3.27Å
320	G	82.1	Confident	94.8	Very high	54 Å²	54	22.1 Å²	22.1	56%	0.557	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.2	-117.8	-178	0	0	0	0	0	112.1
321	N	84.5	Confident	94.2	Very high	100 Å²	100	22.4 Å²	22.4	54%	0.535	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	18.2	173.5	-69.6	-36.1	0	0	0	112.6	R275 A319	R275-N321 PolarHBondContact NH2-O 2.94Å; A319-N321 PolarHBondContact O-N 3.11Å
322	G	94.5	Very high	93.3	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.01	18%	0.177	C	C	.	.			trans	87.7	122.9	-169.4	0	0	0	0	0	111.9	Y316 S317 A319 Y345	Y316-G322 WeakPolarHBondContact OH-CA 3.28Å; S317-G322 CarbonylContact O-C 3.53Å; S317-G322 WeakPolarHBondContact O-CA 3.32Å; A319-G322 PolarHBondContact O-N 3.27Å; G322-Y345 VanDerWaalsContact O-CB 3.24Å; G322-Y345 WeakPolarHBondContact O-CB 3.43Å; G322-Y345 PolarHBondContact O-N 2.97Å
323	L	97	Very high	92.3	Very high	13 Å²	13	35.1 Å²	35.1	7%	0.068	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	129.8	177.6	-60.8	-179.7	0	0	0	109.9	L73 Y316 S317 F325 V342 L343 L351	L73-L323 HydrophobicContact CB-CD1 4.27Å; L73-L323 HydrophobicContact CD1-CD1 3.84Å; Y316-L323 WeakPolarHBondContact CA-O 3.3Å; Y316-L323 WeakPolarHBondContact CD2-O 3.34Å; S317-L323 PolarHBondContact N-O 3.34Å; S317-L323 PolarHBondContact O-N 3.33Å; L323-F325 HydrophobicContact CB-CE2 3.86Å; L323-F325 HydrophobicContact CB-CZ 4.32Å; L323-F325 HydrophobicContact CD1-CZ 4.2Å; L323-V342 HydrophobicContact CD1-CG1 4.24Å; L323-V342 HydrophobicContact CD2-CG1 4.42Å; L323-L343 CarbonylContact C-O 3.5Å; L323-L343 WeakPolarHBondContact CA-O 3.42Å; L323-L351 HydrophobicContact CD2-CD1 3.67Å
324	I	98.2	Very high	91.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	126.5	165	-66.3	170.9	0	0	0	108	I288 I302 I314 T315 Y316 L343 Y345	I288-I324 HydrophobicContact CD1-CG2 4.15Å; I302-I324 HydrophobicContact CD1-CD1 3.84Å; I314-I324 HydrophobicContact CB-CG2 4.19Å; I314-I324 HydrophobicContact CG2-CG2 4.19Å; T315-I324 CarbonylContact O-C 3.57Å; T315-I324 WeakPolarHBondContact O-CA 3.49Å; Y316-I324 HydrophobicContact CD2-CG1 4Å; I324-L343 HydrophobicContact CB-CB 4.28Å; I324-L343 HydrophobicContact CB-CD1 4.42Å; I324-L343 HydrophobicContact CG2-CD1 4.18Å; I324-L343 PolarHBondContact N-O 2.97Å; I324-L343 WeakPolarHBondContact O-CB 3.37Å; I324-L343 PolarHBondContact O-N 3.46Å; I324-Y345 HydrophobicContact CD1-CD2 3.97Å
325	F	98.6	Very high	89.8	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.009	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	138.9	166.9	-57	-104.3	0	0	0	107.9	L73 L79 I314 T315 L323 F341 V342 I367 V369 V375	L73-F325 HydrophobicContact CD1-CE1 3.96Å; L73-F325 HydrophobicContact CD1-CZ 3.75Å; L79-F325 HydrophobicContact CD1-CD1 4.37Å; L79-F325 HydrophobicContact CD1-CE1 4.11Å; I314-F325 CarbonylContact C-O 3.53Å; I314-F325 VanDerWaalsContact CA-O 3.24Å; I314-F325 WeakPolarHBondContact CA-O 3.27Å; T315-F325 HydrophobicContact CG2-CB 3.76Å; T315-F325 HydrophobicContact CG2-CD2 4.29Å; T315-F325 HydrophobicContact CG2-CG 4.36Å; T315-F325 PolarHBondContact N-O 3.31Å; T315-F325 PolarHBondContact O-N 3.08Å; L323-F325 HydrophobicContact CB-CE2 3.86Å; L323-F325 HydrophobicContact CB-CZ 4.32Å; L323-F325 HydrophobicContact CD1-CZ 4.2Å; F325-F341 CarbonylContact C-O 3.55Å; F325-F341 VanDerWaalsContact CA-O 3.28Å; F325-F341 WeakPolarHBondContact CA-O 3.49Å; F325-V342 HydrophobicContact CD1-CB 4.45Å; F325-V342 HydrophobicContact CD1-CG1 4.28Å; F325-V342 HydrophobicContact CD1-CG2 3.77Å; F325-V342 HydrophobicContact CE1-CB 4.4Å; F325-V342 HydrophobicContact CE1-CG1 3.9Å; F325-V342 HydrophobicContact CE1-CG2 3.72Å; F325-V342 HydrophobicContact CZ-CG1 4.22Å; F325-I367 HydrophobicContact CB-CD1 3.77Å; F325-I367 HydrophobicContact CB-CG1 4.43Å; F325-V369 HydrophobicContact CD2-CB 4.07Å; F325-V369 HydrophobicContact CD2-CG1 3.83Å; F325-V369 HydrophobicContact CD2-CG2 4.4Å; F325-V369 HydrophobicContact CE1-CG2 4.5Å; F325-V369 HydrophobicContact CE2-CB 4.03Å; F325-V369 HydrophobicContact CE2-CG1 3.85Å; F325-V369 HydrophobicContact CE2-CG2 3.87Å; F325-V369 HydrophobicContact CZ-CB 4.45Å; F325-V369 HydrophobicContact CZ-CG2 3.92Å; F325-V375 HydrophobicContact CD1-CG2 3.87Å; F325-V375 HydrophobicContact CE1-CG2 3.75Å; F325-V375 HydrophobicContact CZ-CG2 4.49Å
326	A	98.7	Very high	89.1	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	153.7	-176.8	0	0	0	0	0	111.6	I288 V311 A313 I314 G340 F341 L343	I288-A326 HydrophobicContact CD1-CB 4.28Å; V311-A326 HydrophobicContact CG1-CB 4.41Å; A313-A326 WeakPolarHBondContact O-CA 3.22Å; I314-A326 HydrophobicContact CG2-CB 3.89Å; A326-G340 CarbonylContact O-C 3.58Å; A326-G340 VanDerWaalsContact O-CA 3.28Å; A326-G340 WeakPolarHBondContact O-CA 3.22Å; A326-F341 PolarHBondContact N-O 3.3Å; A326-F341 PolarHBondContact O-N 2.86Å; A326-L343 HydrophobicContact CB-CD1 4.12Å
327	V	98.5	Very high	88.8	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	136.5	169.2	-69.4	0	0	0	0	111.1	F312 A313 P364 I367 V377	F312-V327 HydrophobicContact CB-CG2 4.33Å; F312-V327 PolarHBondContact N-O 3.24Å; A313-V327 HydrophobicContact CB-CG2 3.9Å; A313-V327 PolarHBondContact O-N 2.9Å; V327-P364 HydrophobicContact CB-CB 4.08Å; V327-P364 HydrophobicContact CB-CG 4.25Å; V327-P364 HydrophobicContact CG1-CB 4.3Å; V327-P364 HydrophobicContact CG2-CB 4.32Å; V327-I367 HydrophobicContact CG1-CB 4.14Å; V327-I367 HydrophobicContact CG1-CD1 3.91Å; V327-I367 HydrophobicContact CG1-CG2 4.41Å; V327-I367 HydrophobicContact CG2-CB 4.47Å; V327-I367 HydrophobicContact CG2-CG2 4.21Å; V327-V377 HydrophobicContact CG1-CG1 3.93Å; V327-V377 HydrophobicContact CG1-CG2 4.06Å
328	N	96.9	Very high	88.7	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	163	176.3	72.3	-25.4	0	0	0	113.3	F307 E310 P337 L338 R339 F341 P364	F307-N328 WeakPolarHBondContact O-CB 3.05Å; F307-N328 PolarHBondContact O-ND2 2.78Å; E310-N328 CarbonylContact O-C 3.53Å; E310-N328 WeakPolarHBondContact O-CA 3.31Å; E310-N328 WeakPolarHBondContact O-CB 3.46Å; N328-P337 PolarHBondContact ND2-O 2.79Å; N328-L338 WeakPolarHBondContact OD1-CA 3.35Å; N328-R339 PolarHBondContact N-O 3.3Å; N328-R339 PolarHBondContact OD1-N 3.49Å; N328-R339 PolarHBondContact OD1-O 2.96Å; N328-R339 VanDerWaalsContact OD1-O 3.06Å; N328-F341 HydrophobicContact CB-CE2 3.88Å; N328-P364 VanDerWaalsContact O-CG 3.29Å; N328-P364 WeakPolarHBondContact O-CG 3.19Å
329	G	92.8	Very high	88.9	Confident	4 Å²	4	49.9 Å²	49.9	4%	0.041	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	163.9	172.6	0	0	0	0	0	112.8	E310 L338	E310-G329 PolarHBondContact O-N 3.14Å; G329-L338 VanDerWaalsContact C-CD2 3.45Å
330	D	87.7	Confident	89.4	Confident	99 Å²	99	48.7 Å²	48.7	53%	0.529	28%	0.276	S	S	.	.			trans	-74.6	139.1	168.8	-174.7	40	0	0	0	108.6	S335 L338	D330-S335 PolarHBondContact OD1-OG 2.67Å; D330-L338 HydrophobicContact CB-CD2 4.28Å; D330-L338 VanDerWaalsContact N-CD2 3.34Å
331	S	83.1	Confident	90.2	Very high	10 Å²	10	46.3 Å²	46.3	7%	0.07	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-131.6	137.5	-172.5	-160.8	0	0	0	0	111.6	E310 Y333 H334	E310-S331 WeakPolarHBondContact OE1-CA 3.39Å; E310-S331 VanDerWaalsContact OE1-CB 3.31Å; E310-S331 WeakPolarHBondContact OE1-CB 3.44Å; E310-S331 PolarHBondContact OE1-OG 2.67Å; S331-Y333 PolarHBondContact O-N 2.86Å; S331-H334 WeakPolarHBondContact CB-O 3.45Å; S331-H334 CarbonylContact O-C 3.58Å; S331-H334 PolarHBondContact O-N 3.15Å
332	P	77.4	Confident	90.8	Very high	110 Å²	110	41.8 Å²	41.8	71%	0.714	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-5.9	-175.7	27.9	-36.3	0	0	0	114.4
333	Y	76.3	Confident	90.9	Very high	164 Å²	164	41.7 Å²	41.7	64%	0.643	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.9	-30.6	-178.8	-56.2	-67.1	0	0	0	113.7	S331	S331-Y333 PolarHBondContact O-N 2.86Å
334	H	74.6	Confident	90.8	Very high	133 Å²	133	42 Å²	42	62%	0.616	23%	0.227	S	C	*	.	B	Isolated β-bridge	trans	-151.3	135	-173.3	-64.5	-65.6	0	0	0	107.1	G308 S331	G308-H334 CarbonylContact O-C 3.51Å; G308-H334 VanDerWaalsContact O-C 3.28Å; G308-H334 WeakPolarHBondContact O-CB 3.46Å; S331-H334 WeakPolarHBondContact CB-O 3.45Å; S331-H334 CarbonylContact O-C 3.58Å; S331-H334 PolarHBondContact O-N 3.15Å
335	S	70.4	Confident	90.7	Very high	102 Å²	102	42.3 Å²	42.3	71%	0.713	23%	0.228	S	C	*	.			trans	-122.7	123.9	179.3	-167.5	0	0	0	0	109.4	D330	D330-S335 PolarHBondContact OD1-OG 2.67Å
336	A	84.6	Confident	90.5	Very high	28 Å²	28	45.1 Å²	45.1	23%	0.231	25%	0.248	C	C	.	.			trans	-128.7	159.7	171	0	0	0	0	0	108.6	L338	A336-L338 PolarHBondContact O-N 3.11Å
337	P	91.6	Very high	90.3	Very high	89 Å²	89	48.7 Å²	48.7	58%	0.578	27%	0.27	S	S	*	.			trans	-57.1	138.4	175.4	-23.6	34.4	0	0	0	111.7	N328 R339	N328-P337 PolarHBondContact ND2-O 2.79Å; P337-R339 PolarHBondContact O-N 3.29Å
338	L	95.1	Very high	90.1	Very high	34 Å²	34	52.6 Å²	52.6	18%	0.178	29%	0.287	C	S	.	.			trans	-68	124.7	173.9	-60.4	-177.7	0	0	0	109.9	N328 G329 D330 A336 F361	N328-L338 WeakPolarHBondContact OD1-CA 3.35Å; G329-L338 VanDerWaalsContact C-CD2 3.45Å; D330-L338 HydrophobicContact CB-CD2 4.28Å; D330-L338 VanDerWaalsContact N-CD2 3.34Å; A336-L338 PolarHBondContact O-N 3.11Å; L338-F361 HydrophobicContact CB-CB 3.76Å; L338-F361 HydrophobicContact CB-CD2 4.26Å; L338-F361 HydrophobicContact CD1-CB 4.08Å
339	R	96.9	Very high	90	Very high	80 Å²	80	58.4 Å²	58.4	30%	0.302	31%	0.314	S	S	.	.			trans	-146.9	151.2	-170.2	-74.6	178	178	-92.2	-15.8	111.1	N328 P337 F341 S353 F354	N328-R339 PolarHBondContact N-O 3.3Å; N328-R339 PolarHBondContact OD1-N 3.49Å; N328-R339 PolarHBondContact OD1-O 2.96Å; N328-R339 VanDerWaalsContact OD1-O 3.06Å; P337-R339 PolarHBondContact O-N 3.29Å; R339-F341 HydrophobicContact CB-CD2 4.43Å; R339-F341 HydrophobicContact CB-CE1 4.22Å; R339-F341 HydrophobicContact CB-CE2 3.78Å; R339-F341 HydrophobicContact CB-CZ 3.68Å; R339-F341 WeakPolarHBondContact O-CE2 3.17Å; R339-S353 PolarHBondContact NH1-OG 3.4Å; R339-F354 CarbonylContact C-O 3.57Å; R339-F354 WeakPolarHBondContact CA-O 3.39Å
340	G	98.1	Very high	90.1	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	151.5	154	0	0	0	0	0	110.4	A326 S353 F354	A326-G340 CarbonylContact O-C 3.58Å; A326-G340 VanDerWaalsContact O-CA 3.28Å; A326-G340 WeakPolarHBondContact O-CA 3.22Å; G340-S353 CarbonylContact O-C 3.59Å; G340-S353 VanDerWaalsContact O-CA 3.26Å; G340-S353 WeakPolarHBondContact O-CA 3.24Å; G340-F354 VanDerWaalsContact C-CE1 3.46Å; G340-F354 PolarHBondContact N-O 2.97Å; G340-F354 WeakPolarHBondContact O-CD1 3.31Å; G340-F354 PolarHBondContact O-N 3.3Å
341	F	98.1	Very high	90.5	Very high	3 Å²	3	58.9 Å²	58.9	1%	0.013	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	144.2	-179.8	-59.3	-87.2	0	0	0	110	D306 F307 F325 A326 N328 R339 I350 D352	D306-F341 HydrophobicContact CB-CE1 4.15Å; D306-F341 WeakPolarHBondContact O-CZ 3.4Å; F307-F341 HydrophobicContact CD1-CD2 4.06Å; F307-F341 HydrophobicContact CD1-CE2 4.06Å; F307-F341 HydrophobicContact CD1-CG 4.33Å; F307-F341 HydrophobicContact CD1-CZ 4.3Å; F307-F341 HydrophobicContact CE1-CD2 4.28Å; F307-F341 HydrophobicContact CE1-CG 4.23Å; F325-F341 CarbonylContact C-O 3.55Å; F325-F341 VanDerWaalsContact CA-O 3.28Å; F325-F341 WeakPolarHBondContact CA-O 3.49Å; A326-F341 PolarHBondContact N-O 3.3Å; A326-F341 PolarHBondContact O-N 2.86Å; N328-F341 HydrophobicContact CB-CE2 3.88Å; R339-F341 HydrophobicContact CB-CD2 4.43Å; R339-F341 HydrophobicContact CB-CE1 4.22Å; R339-F341 HydrophobicContact CB-CE2 3.78Å; R339-F341 HydrophobicContact CB-CZ 3.68Å; R339-F341 WeakPolarHBondContact O-CE2 3.17Å; F341-I350 HydrophobicContact CD1-CD1 3.63Å; F341-I350 HydrophobicContact CD1-CG1 4.33Å; F341-I350 HydrophobicContact CD1-CG2 4.3Å; F341-I350 HydrophobicContact CE1-CD1 4Å; F341-I350 HydrophobicContact CG-CD1 4.49Å; F341-D352 WeakPolarHBondContact CA-O 3.24Å
342	V	97.6	Very high	91.1	Very high	5 Å²	5	59.7 Å²	59.7	3%	0.03	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	126.2	168.3	-170	0	0	0	0	107.9	L73 L79 L323 F325 I350 L351 D352 F354	L73-V342 HydrophobicContact CD1-CG1 4.46Å; L79-V342 HydrophobicContact CD1-CG2 3.69Å; L323-V342 HydrophobicContact CD1-CG1 4.24Å; L323-V342 HydrophobicContact CD2-CG1 4.42Å; F325-V342 HydrophobicContact CD1-CB 4.45Å; F325-V342 HydrophobicContact CD1-CG1 4.28Å; F325-V342 HydrophobicContact CD1-CG2 3.77Å; F325-V342 HydrophobicContact CE1-CB 4.4Å; F325-V342 HydrophobicContact CE1-CG1 3.9Å; F325-V342 HydrophobicContact CE1-CG2 3.72Å; F325-V342 HydrophobicContact CZ-CG1 4.22Å; V342-I350 CarbonylContact O-C 3.59Å; V342-I350 WeakPolarHBondContact O-CA 3.48Å; V342-L351 PolarHBondContact O-N 2.9Å; V342-D352 HydrophobicContact CB-CB 4.14Å; V342-D352 HydrophobicContact CG2-CB 3.96Å; V342-D352 PolarHBondContact N-O 2.75Å; V342-F354 HydrophobicContact CG2-CD1 4.42Å; V342-F354 HydrophobicContact CG2-CE1 4.15Å
343	L	96.8	Very high	92	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	132.1	-174.8	-63.2	155	0	0	0	110.2	I288 I302 F307 L323 I324 A326 Y345 Q349 I350	I288-L343 HydrophobicContact CD1-CD1 3.83Å; I302-L343 HydrophobicContact CG2-CD1 4.47Å; I302-L343 HydrophobicContact CG2-CD2 4.36Å; F307-L343 HydrophobicContact CE1-CD1 4.33Å; F307-L343 HydrophobicContact CE1-CD2 4.3Å; F307-L343 HydrophobicContact CZ-CD1 3.95Å; F307-L343 HydrophobicContact CZ-CD2 4.1Å; L323-L343 CarbonylContact C-O 3.5Å; L323-L343 WeakPolarHBondContact CA-O 3.42Å; I324-L343 HydrophobicContact CB-CB 4.28Å; I324-L343 HydrophobicContact CB-CD1 4.42Å; I324-L343 HydrophobicContact CG2-CD1 4.18Å; I324-L343 PolarHBondContact N-O 2.97Å; I324-L343 WeakPolarHBondContact O-CB 3.37Å; I324-L343 PolarHBondContact O-N 3.46Å; A326-L343 HydrophobicContact CB-CD1 4.12Å; L343-Y345 PolarHBondContact O-N 3.2Å; L343-Q349 WeakPolarHBondContact CA-O 3Å; L343-I350 HydrophobicContact CD2-CB 4.43Å; L343-I350 HydrophobicContact CD2-CG1 3.52Å
344	D	95.7	Very high	93	Very high	18 Å²	18	48.3 Å²	48.3	10%	0.096	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	122.2	164.6	-179.4	-70.1	0	0	0	109	S346 T347 K348 Q349 L351	D344-S346 PolarHBondContact O-N 2.96Å; D344-S346 VanDerWaalsContact OD1-CA 3.25Å; D344-S346 WeakPolarHBondContact OD1-CA 3.14Å; D344-S346 VanDerWaalsContact OD1-CB 3.26Å; D344-S346 WeakPolarHBondContact OD1-CB 3.2Å; D344-S346 PolarHBondContact OD1-N 3.34Å; D344-T347 PolarHBondContact OD1-N 3.23Å; D344-K348 WeakPolarHBondContact O-CA 3.43Å; D344-K348 PolarHBondContact O-N 2.77Å; D344-Q349 PolarHBondContact N-O 3.05Å; D344-L351 HydrophobicContact CB-CD1 4.17Å; D344-L351 HydrophobicContact CB-CD2 4.25Å; D344-L351 HydrophobicContact CB-CG 4.3Å
345	Y	95.8	Very high	94	Very high	7 Å²	7	44.1 Å²	44.1	3%	0.027	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-32.7	-177.9	165.5	-86.2	0	0	0	112.4	L272 R275 E277 K300 G322 I324 L343	L272-Y345 HydrophobicContact CD2-CD2 3.66Å; L272-Y345 HydrophobicContact CD2-CE2 3.6Å; R275-Y345 VanDerWaalsContact CD-CE1 3.47Å; R275-Y345 VanDerWaalsContact CD-CZ 3.42Å; R275-Y345 VanDerWaalsContact NH1-CE1 3.29Å; E277-Y345 PolarHBondContact OE1-OH 3.16Å; E277-Y345 PolarHBondContact OE2-OH 3.33Å; K300-Y345 HydrophobicContact CD-CD2 4.45Å; K300-Y345 HydrophobicContact CD-CE1 4.48Å; K300-Y345 HydrophobicContact CD-CE2 3.83Å; K300-Y345 WeakPolarHBondContact CE-OH 3.21Å; K300-Y345 PolarHBondContact NZ-O 2.81Å; K300-Y345 PolarHBondContact NZ-OH 3.49Å; G322-Y345 VanDerWaalsContact O-CB 3.24Å; G322-Y345 WeakPolarHBondContact O-CB 3.43Å; G322-Y345 PolarHBondContact O-N 2.97Å; I324-Y345 HydrophobicContact CD1-CD2 3.97Å; L343-Y345 PolarHBondContact O-N 3.2Å
346	S	93.3	Very high	95.2	Very high	61 Å²	61	39.8 Å²	39.8	43%	0.427	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-51.6	-171.4	-59.9	0	0	0	0	112.4	D344	D344-S346 PolarHBondContact O-N 2.96Å; D344-S346 VanDerWaalsContact OD1-CA 3.25Å; D344-S346 WeakPolarHBondContact OD1-CA 3.14Å; D344-S346 VanDerWaalsContact OD1-CB 3.26Å; D344-S346 WeakPolarHBondContact OD1-CB 3.2Å; D344-S346 PolarHBondContact OD1-N 3.34Å
347	T	94.7	Very high	95.5	Very high	75 Å²	75	43.9 Å²	43.9	46%	0.46	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-21.7	178.5	76	0	0	0	0	112.8	D344 Q349	D344-T347 PolarHBondContact OD1-N 3.23Å; T347-Q349 PolarHBondContact O-N 2.94Å; T347-Q349 WeakPolarHBondContact OG1-CB 3.33Å; T347-Q349 PolarHBondContact OG1-N 2.89Å; T347-Q349 PolarHBondContact OG1-OE1 3.01Å
348	K	95.2	Very high	95.2	Very high	82 Å²	82	45.7 Å²	45.7	36%	0.357	24%	0.243	S	C	.	.			trans	67.3	12.2	-175.7	-43	179.1	-178.5	-177.9	0	114.7	E301 I302 D344	E301-K348 WeakPolarHBondContact O-CD 3.34Å; E301-K348 WeakPolarHBondContact O-CE 3.28Å; E301-K348 PolarHBondContact O-NZ 2.8Å; I302-K348 HydrophobicContact CD1-CG 4.48Å; I302-K348 HydrophobicContact CG1-CB 4.15Å; I302-K348 HydrophobicContact CG1-CD 4.05Å; I302-K348 HydrophobicContact CG1-CG 3.94Å; I302-K348 HydrophobicContact CG2-CB 4.23Å; D344-K348 WeakPolarHBondContact O-CA 3.43Å; D344-K348 PolarHBondContact O-N 2.77Å
349	Q	94.4	Very high	94.8	Very high	123 Å²	123	49.7 Å²	49.7	58%	0.575	26%	0.259	S	S	*	.			trans	-79.4	145.2	178.6	-66.2	174.4	-44	0	0	110.5	L343 D344 T347 L351	L343-Q349 WeakPolarHBondContact CA-O 3Å; D344-Q349 PolarHBondContact N-O 3.05Å; T347-Q349 PolarHBondContact O-N 2.94Å; T347-Q349 WeakPolarHBondContact OG1-CB 3.33Å; T347-Q349 PolarHBondContact OG1-N 2.89Å; T347-Q349 PolarHBondContact OG1-OE1 3.01Å; Q349-L351 PolarHBondContact O-N 3.5Å
350	I	95.4	Very high	94.6	Very high	43 Å²	43	52.5 Å²	52.5	22%	0.221	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	126.8	163.1	-65.9	173.5	0	0	0	107.4	N304 D306 F307 F341 V342 L343 D352	N304-I350 HydrophobicContact CB-CD1 4.4Å; N304-I350 WeakPolarHBondContact ND2-CD1 3.44Å; D306-I350 HydrophobicContact CB-CD1 3.71Å; F307-I350 HydrophobicContact CE1-CD1 4.41Å; F341-I350 HydrophobicContact CD1-CD1 3.63Å; F341-I350 HydrophobicContact CD1-CG1 4.33Å; F341-I350 HydrophobicContact CD1-CG2 4.3Å; F341-I350 HydrophobicContact CE1-CD1 4Å; F341-I350 HydrophobicContact CG-CD1 4.49Å; V342-I350 CarbonylContact O-C 3.59Å; V342-I350 WeakPolarHBondContact O-CA 3.48Å; L343-I350 HydrophobicContact CD2-CB 4.43Å; L343-I350 HydrophobicContact CD2-CG1 3.52Å; I350-D352 VanDerWaalsContact CG2-O 3.27Å; I350-D352 WeakPolarHBondContact CG2-O 3.4Å
351	L	95	Very high	94.6	Very high	70 Å²	70	52.7 Å²	52.7	37%	0.366	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-38.6	173.1	-56.1	-177	0	0	0	111.2	L323 V342 D344 Q349	L323-L351 HydrophobicContact CD2-CD1 3.67Å; V342-L351 PolarHBondContact O-N 2.9Å; D344-L351 HydrophobicContact CB-CD1 4.17Å; D344-L351 HydrophobicContact CB-CD2 4.25Å; D344-L351 HydrophobicContact CB-CG 4.3Å; Q349-L351 PolarHBondContact O-N 3.5Å
352	D	95.9	Very high	94.5	Very high	26 Å²	26	58 Å²	58	14%	0.139	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	154.5	178.8	-174.8	29.4	0	0	0	111.3	H78 L79 F341 V342 I350	H78-D352 IonicContact CE1-OD1 3.98Å; H78-D352 IonicContact CG-OD1 3.58Å; H78-D352 VanDerWaalsContact ND1-CG 3.35Å; H78-D352 IonicContact ND1-OD1 2.69Å; H78-D352 PolarHBondContact ND1-OD1 3.02Å; H78-D352 IonicContact ND1-OD2 3.35Å; H78-D352 PolarHBondContact ND1-OD2 3.47Å; L79-D352 PolarHBondContact N-OD2 3.35Å; F341-D352 WeakPolarHBondContact CA-O 3.24Å; V342-D352 HydrophobicContact CB-CB 4.14Å; V342-D352 HydrophobicContact CG2-CB 3.96Å; V342-D352 PolarHBondContact N-O 2.75Å; I350-D352 VanDerWaalsContact CG2-O 3.27Å; I350-D352 WeakPolarHBondContact CG2-O 3.4Å
353	S	96.4	Very high	94.4	Very high	34 Å²	34	60.4 Å²	60.4	24%	0.238	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	128	167.5	77.8	0	0	0	0	111.5	H78 R339 G340	H78-S353 PolarHBondContact CE1-O 3.06Å; R339-S353 PolarHBondContact NH1-OG 3.4Å; G340-S353 CarbonylContact O-C 3.59Å; G340-S353 VanDerWaalsContact O-CA 3.26Å; G340-S353 WeakPolarHBondContact O-CA 3.24Å
354	F	97.1	Very high	94.4	Very high	1 Å²	1	60.4 Å²	60.4	0%	0.004	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	158.2	-169.6	61.1	-86.6	0	0	0	112	L79 R339 G340 V342 I367 V375 V377 F388	L79-F354 HydrophobicContact CB-CB 3.99Å; L79-F354 HydrophobicContact CB-CD1 3.99Å; L79-F354 HydrophobicContact CB-CG 3.94Å; L79-F354 HydrophobicContact CD1-CD1 3.63Å; L79-F354 HydrophobicContact CD1-CE1 3.53Å; L79-F354 HydrophobicContact CD1-CG 4.29Å; L79-F354 HydrophobicContact CD1-CZ 4.1Å; L79-F354 HydrophobicContact CG-CD1 4.43Å; L79-F354 VanDerWaalsContact O-CB 3.32Å; L79-F354 WeakPolarHBondContact O-CB 3.14Å; R339-F354 CarbonylContact C-O 3.57Å; R339-F354 WeakPolarHBondContact CA-O 3.39Å; G340-F354 VanDerWaalsContact C-CE1 3.46Å; G340-F354 PolarHBondContact N-O 2.97Å; G340-F354 WeakPolarHBondContact O-CD1 3.31Å; G340-F354 PolarHBondContact O-N 3.3Å; V342-F354 HydrophobicContact CG2-CD1 4.42Å; V342-F354 HydrophobicContact CG2-CE1 4.15Å; F354-I367 HydrophobicContact CZ-CD1 4.03Å; F354-V375 HydrophobicContact CE2-CG1 4.36Å; F354-V375 HydrophobicContact CZ-CG1 3.96Å; F354-V377 HydrophobicContact CE2-CG2 4.15Å; F354-F388 HydrophobicContact CD2-CB 4.48Å; F354-F388 AromaticContact CD2-CD1 3.64Å; F354-F388 HydrophobicContact CD2-CD1 3.64Å; F354-F388 AromaticContact CD2-CD2 3.92Å; F354-F388 HydrophobicContact CD2-CD2 3.92Å; F354-F388 AromaticContact CD2-CE1 3.74Å; F354-F388 HydrophobicContact CD2-CE1 3.74Å; F354-F388 AromaticContact CD2-CE2 4Å; F354-F388 HydrophobicContact CD2-CE2 4Å; F354-F388 AromaticContact CD2-CG 3.75Å; F354-F388 HydrophobicContact CD2-CG 3.75Å; F354-F388 AromaticContact CD2-CZ 3.92Å; F354-F388 HydrophobicContact CD2-CZ 3.92Å; F354-F388 HydrophobicContact CE2-CD1 4.28Å; F354-F388 AromaticContact CE2-CD2 3.69Å; F354-F388 HydrophobicContact CE2-CD2 3.69Å; F354-F388 HydrophobicContact CE2-CE1 4.43Å; F354-F388 AromaticContact CE2-CE2 3.86Å; F354-F388 HydrophobicContact CE2-CE2 3.86Å; F354-F388 AromaticContact CE2-CG 3.92Å; F354-F388 HydrophobicContact CE2-CG 3.92Å; F354-F388 HydrophobicContact CE2-CZ 4.24Å; F354-F388 HydrophobicContact CG-CD1 4.48Å
355	S	96.5	Very high	94.6	Very high	46 Å²	46	59.7 Å²	59.7	32%	0.322	31%	0.308	S	S	.	.			trans	-154.5	152.3	177.4	54.5	0	0	0	0	109.1
356	P	95.3	Very high	94.7	Very high	10 Å²	10	60 Å²	60	7%	0.065	31%	0.31	C	S	.	.			trans	-68.5	144.2	178.5	8.1	4.4	0	0	0	110.4	Q81 K359 F361 F386 F388	Q81-P356 HydrophobicContact CG-CB 4.21Å; Q81-P356 VanDerWaalsContact OE1-CB 3.28Å; P356-K359 VanDerWaalsContact CB-O 3.22Å; P356-K359 WeakPolarHBondContact CB-O 3.35Å; P356-K359 VanDerWaalsContact CG-O 3.26Å; P356-K359 WeakPolarHBondContact CG-O 3.46Å; P356-F361 HydrophobicContact CG-CD1 3.74Å; P356-F361 HydrophobicContact CG-CD2 4.38Å; P356-F361 HydrophobicContact CG-CE1 3.62Å; P356-F361 HydrophobicContact CG-CE2 4.3Å; P356-F361 HydrophobicContact CG-CG 4.12Å; P356-F361 HydrophobicContact CG-CZ 3.92Å; P356-F386 HydrophobicContact CB-CD1 3.49Å; P356-F386 VanDerWaalsContact CB-CD1 3.49Å; P356-F386 HydrophobicContact CB-CE1 3.7Å; P356-F386 HydrophobicContact CB-CG 4.17Å; P356-F386 HydrophobicContact CG-CD1 3.65Å; P356-F386 HydrophobicContact CG-CD2 4.29Å; P356-F386 HydrophobicContact CG-CE1 3.75Å; P356-F386 HydrophobicContact CG-CE2 4.38Å; P356-F386 HydrophobicContact CG-CG 3.92Å; P356-F386 HydrophobicContact CG-CZ 4.11Å; P356-F388 HydrophobicContact CB-CE1 4.37Å; P356-F388 HydrophobicContact CB-CZ 4.05Å; P356-F388 HydrophobicContact CG-CZ 3.96Å
357	T	91.1	Very high	95	Very high	114 Å²	114	57.1 Å²	57.1	70%	0.699	29%	0.289	S	S	*	.	S	Bend	trans	-93.3	-22.7	-172.8	55.7	0	0	0	0	112.7	Q81	Q81-T357 PolarHBondContact OE1-OG1 3.05Å
358	Q	84.4	Confident	95.2	Very high	127 Å²	127	54.1 Å²	54.1	59%	0.593	27%	0.271	S	S	*	.	S	Bend	trans	-94.7	-25.4	179.9	-69	-175.6	-35.9	0	0	114.4
359	K	87.9	Confident	95.3	Very high	118 Å²	118	51.2 Å²	51.2	51%	0.513	26%	0.26	S	S	.	.	S	Bend	trans	-144.4	140.8	177	-59.9	179.7	-176.4	175.2	0	107.9	P356 F386	P356-K359 VanDerWaalsContact CB-O 3.22Å; P356-K359 WeakPolarHBondContact CB-O 3.35Å; P356-K359 VanDerWaalsContact CG-O 3.26Å; P356-K359 WeakPolarHBondContact CG-O 3.46Å; K359-F386 HydrophobicContact CB-CE1 4.04Å; K359-F386 HydrophobicContact CB-CZ 4.17Å; K359-F386 HydrophobicContact CD-CE1 4.3Å; K359-F386 HydrophobicContact CD-CZ 4.34Å
360	E	92.9	Very high	95.3	Very high	140 Å²	140	45.8 Å²	45.8	65%	0.654	24%	0.236	S	C	*	.			trans	-68	146.8	166.1	-60	169.3	153	0	0	110	K362	E360-K362 IonicContact OE2-NZ 3.01Å; E360-K362 PolarHBondContact OE2-NZ 2.72Å
361	F	96.6	Very high	95	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.018	26%	0.257	C	S	.	.			trans	-56.6	156.9	160.3	-69.4	-50.1	0	0	0	110.7	L338 P356 P364 V377 F386 F388	L338-F361 HydrophobicContact CB-CB 3.76Å; L338-F361 HydrophobicContact CB-CD2 4.26Å; L338-F361 HydrophobicContact CD1-CB 4.08Å; P356-F361 HydrophobicContact CG-CD1 3.74Å; P356-F361 HydrophobicContact CG-CD2 4.38Å; P356-F361 HydrophobicContact CG-CE1 3.62Å; P356-F361 HydrophobicContact CG-CE2 4.3Å; P356-F361 HydrophobicContact CG-CG 4.12Å; P356-F361 HydrophobicContact CG-CZ 3.92Å; F361-P364 HydrophobicContact CB-CB 4.39Å; F361-P364 HydrophobicContact CB-CG 4.1Å; F361-P364 HydrophobicContact CD1-CB 3.97Å; F361-P364 HydrophobicContact CD2-CB 4.37Å; F361-P364 HydrophobicContact CD2-CG 4.29Å; F361-P364 HydrophobicContact CE1-CB 4.27Å; F361-P364 HydrophobicContact CG-CB 4.03Å; F361-P364 HydrophobicContact CG-CG 4.11Å; F361-V377 HydrophobicContact CD1-CG1 4.37Å; F361-V377 HydrophobicContact CE1-CB 3.93Å; F361-V377 HydrophobicContact CE1-CG1 3.52Å; F361-V377 HydrophobicContact CZ-CB 4.02Å; F361-V377 HydrophobicContact CZ-CG1 3.75Å; F361-V377 HydrophobicContact CZ-CG2 4.15Å; F361-F386 AromaticContact CD1-CD2 3.91Å; F361-F386 HydrophobicContact CD1-CD2 3.91Å; F361-F386 AromaticContact CD1-CE2 3.88Å; F361-F386 HydrophobicContact CD1-CE2 3.88Å; F361-F386 HydrophobicContact CE1-CB 4.44Å; F361-F386 AromaticContact CE1-CD2 3.64Å; F361-F386 HydrophobicContact CE1-CD2 3.64Å; F361-F386 HydrophobicContact CE1-CE2 4.11Å; F361-F386 HydrophobicContact CE1-CG 4.15Å; F361-F388 HydrophobicContact CE1-CZ 4.42Å; F361-F388 HydrophobicContact CZ-CE2 4.07Å; F361-F388 AromaticContact CZ-CZ 3.88Å; F361-F388 HydrophobicContact CZ-CZ 3.88Å
362	K	95.7	Very high	94.8	Very high	113 Å²	113	50.6 Å²	50.6	49%	0.491	26%	0.256	S	S	.	.	S	Bend	trans	-131.2	-37.6	177.8	-62.1	-64.9	149.3	-147.8	0	112.7	E360 D379	E360-K362 IonicContact OE2-NZ 3.01Å; E360-K362 PolarHBondContact OE2-NZ 2.72Å; K362-D379 PolarHBondContact N-OD2 3.25Å
363	M	96.3	Very high	94.5	Very high	56 Å²	56	50.4 Å²	50.4	28%	0.276	26%	0.26	S	S	.	.			trans	-157.8	81.2	165.5	-174.8	161.4	66.6	0	0	107.5	F312 H365 D379 A380	F312-M363 HydrophobicContact CD1-CG 4.35Å; F312-M363 HydrophobicContact CE1-CG 3.57Å; F312-M363 HydrophobicContact CE1-SD 3.87Å; F312-M363 HydrophobicContact CZ-CG 3.97Å; F312-M363 HydrophobicContact CZ-SD 4.13Å; M363-H365 PolarHBondContact O-N 3.35Å; M363-D379 VanDerWaalsContact C-OD2 3.27Å; M363-D379 PolarHBondContact N-OD1 3.28Å; M363-D379 PolarHBondContact N-OD2 2.79Å; M363-D379 CarbonylContact O-C 3.58Å; M363-D379 WeakPolarHBondContact O-CA 3.34Å; M363-A380 HydrophobicContact CE-CB 3.51Å; M363-A380 HydrophobicContact CG-CB 4.45Å; M363-A380 PolarHBondContact O-N 3.17Å
364	P	98	Very high	94.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	106.6	179.6	29.9	-31.1	0	0	0	107.2	F312 V327 N328 F361 V377 G378	F312-P364 WeakPolarHBondContact CB-O 3.35Å; V327-P364 HydrophobicContact CB-CB 4.08Å; V327-P364 HydrophobicContact CB-CG 4.25Å; V327-P364 HydrophobicContact CG1-CB 4.3Å; V327-P364 HydrophobicContact CG2-CB 4.32Å; N328-P364 VanDerWaalsContact O-CG 3.29Å; N328-P364 WeakPolarHBondContact O-CG 3.19Å; F361-P364 HydrophobicContact CB-CB 4.39Å; F361-P364 HydrophobicContact CB-CG 4.1Å; F361-P364 HydrophobicContact CD1-CB 3.97Å; F361-P364 HydrophobicContact CD2-CB 4.37Å; F361-P364 HydrophobicContact CD2-CG 4.29Å; F361-P364 HydrophobicContact CE1-CB 4.27Å; F361-P364 HydrophobicContact CG-CB 4.03Å; F361-P364 HydrophobicContact CG-CG 4.11Å; P364-V377 HydrophobicContact CB-CG1 3.7Å; P364-G378 CarbonylContact C-O 3.59Å
365	H	98.5	Very high	94.6	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.019	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-26.6	-159.7	-165.9	-69.6	0	0	0	112.1	S96 R111 H163 H267 A313 M363 G378 A380	S96-H365 PolarHBondContact O-CE1 2.84Å; S96-H365 VanDerWaalsContact O-CE1 3.26Å; S96-H365 PolarHBondContact O-ND1 2.73Å; R111-H365 PolarHBondContact NH2-NE2 3.4Å; H163-H365 AromaticContact CD2-CE1 3.72Å; H163-H365 AromaticContact CE1-CE1 3.54Å; H163-H365 AromaticContact NE2-CE1 3.29Å; H163-H365 PolarHBondContact NE2-CE1 2.93Å; H163-H365 VanDerWaalsContact NE2-CE1 3.29Å; H163-H365 AromaticContact NE2-NE2 3.7Å; H267-H365 AromaticContact CE1-CE1 3.95Å; A313-H365 WeakPolarHBondContact CB-O 3.23Å; M363-H365 PolarHBondContact O-N 3.35Å; H365-G378 PolarHBondContact N-O 2.72Å; H365-A380 HydrophobicContact CB-CB 3.74Å
366	D	98.9	Very high	94.7	Very high	12 Å²	12	46.5 Å²	46.5	6%	0.064	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	158	173.8	-154	-2.1	0	0	0	113	G97 L98 A313 V377 G378	G97-D366 WeakPolarHBondContact CA-OD2 3.29Å; L98-D366 HydrophobicContact CB-CB 4.47Å; L98-D366 HydrophobicContact CG-CB 4.48Å; L98-D366 PolarHBondContact N-OD2 2.77Å; A313-D366 HydrophobicContact CB-CB 4.47Å; D366-V377 CarbonylContact O-C 3.6Å; D366-V377 WeakPolarHBondContact O-CA 3.36Å; D366-G378 PolarHBondContact N-O 3.34Å; D366-G378 PolarHBondContact O-N 2.85Å
367	I	98.9	Very high	94.8	Very high	1 Å²	1	46 Å²	46	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	132.6	-176	-178.7	168	0	0	0	111.8	A313 T315 F325 V327 F354 V375 F376 V377	A313-I367 HydrophobicContact CB-CG2 4Å; T315-I367 VanDerWaalsContact CB-O 3.23Å; T315-I367 WeakPolarHBondContact CB-O 3.35Å; T315-I367 HydrophobicContact CG2-CG1 4.15Å; T315-I367 HydrophobicContact CG2-CG2 4.26Å; T315-I367 WeakPolarHBondContact CG2-O 3.46Å; F325-I367 HydrophobicContact CB-CD1 3.77Å; F325-I367 HydrophobicContact CB-CG1 4.43Å; V327-I367 HydrophobicContact CG1-CB 4.14Å; V327-I367 HydrophobicContact CG1-CD1 3.91Å; V327-I367 HydrophobicContact CG1-CG2 4.41Å; V327-I367 HydrophobicContact CG2-CB 4.47Å; V327-I367 HydrophobicContact CG2-CG2 4.21Å; F354-I367 HydrophobicContact CZ-CD1 4.03Å; I367-V375 HydrophobicContact CD1-CG1 3.81Å; I367-V375 HydrophobicContact CG1-CG1 3.9Å; I367-F376 CarbonylContact C-O 3.58Å; I367-F376 VanDerWaalsContact CA-O 3.31Å; I367-F376 WeakPolarHBondContact CA-O 3.06Å; I367-V377 HydrophobicContact CB-CG2 4.3Å; I367-V377 HydrophobicContact CD1-CG2 3.94Å; I367-V377 HydrophobicContact CG1-CG2 3.96Å
368	V	98.8	Very high	95.2	Very high	13 Å²	13	40.6 Å²	40.6	8%	0.079	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	150.4	173	-66.7	0	0	0	0	112.3	L98 L100 L106 V375 F376	L98-V368 HydrophobicContact CB-CG1 3.91Å; L98-V368 HydrophobicContact CB-CG2 3.94Å; L98-V368 HydrophobicContact CD1-CG2 4.23Å; L98-V368 WeakPolarHBondContact O-CG1 3.31Å; L100-V368 HydrophobicContact CD1-CB 4.44Å; L100-V368 HydrophobicContact CD2-CG2 4.15Å; L100-V368 HydrophobicContact CG-CB 4.26Å; L100-V368 HydrophobicContact CG-CG2 4.16Å; L106-V368 HydrophobicContact CD1-CG2 3.77Å; V368-V375 CarbonylContact O-C 3.58Å; V368-V375 WeakPolarHBondContact O-CA 3.03Å; V368-F376 HydrophobicContact CG2-CB 3.92Å; V368-F376 HydrophobicContact CG2-CD2 4.37Å; V368-F376 PolarHBondContact N-O 3.17Å; V368-F376 PolarHBondContact O-N 3.39Å
369	V	97.4	Very high	95.9	Very high	21 Å²	21	34.6 Å²	34.6	13%	0.127	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125	175.6	59.4	0	0	0	0	110.5	L100 T315 F325 V375	L100-V369 VanDerWaalsContact CD1-O 3.23Å; L100-V369 WeakPolarHBondContact CD1-O 3.47Å; T315-V369 HydrophobicContact CG2-CB 4.34Å; T315-V369 HydrophobicContact CG2-CG1 3.94Å; F325-V369 HydrophobicContact CD2-CB 4.07Å; F325-V369 HydrophobicContact CD2-CG1 3.83Å; F325-V369 HydrophobicContact CD2-CG2 4.4Å; F325-V369 HydrophobicContact CE1-CG2 4.5Å; F325-V369 HydrophobicContact CE2-CB 4.03Å; F325-V369 HydrophobicContact CE2-CG1 3.85Å; F325-V369 HydrophobicContact CE2-CG2 3.87Å; F325-V369 HydrophobicContact CZ-CB 4.45Å; F325-V369 HydrophobicContact CZ-CG2 3.92Å; V369-V375 HydrophobicContact CB-CG2 4.23Å; V369-V375 HydrophobicContact CG2-CG2 3.98Å
370	A	95.1	Very high	96.3	Very high	8 Å²	8	29 Å²	29	7%	0.066	14%	0.144	C	C	.	.			trans	-90	164	-178.9	0	0	0	0	0	112.7	L100 D372 G373 S374 F376	L100-A370 HydrophobicContact CD1-CB 3.88Å; L100-A370 HydrophobicContact CD2-CB 4.38Å; A370-D372 WeakPolarHBondContact CB-OD1 3.39Å; A370-D372 PolarHBondContact O-N 3.43Å; A370-D372 VanDerWaalsContact O-N 3.1Å; A370-G373 PolarHBondContact O-N 2.78Å; A370-S374 PolarHBondContact N-O 2.76Å; A370-F376 HydrophobicContact CB-CE2 4.4Å
371	K	89.6	Confident	96.5	Very high	149 Å²	149	24.4 Å²	24.4	65%	0.648	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-18.1	-174.9	-59.3	176.9	-169.4	169.3	0	114.1	S102 S104	S102-K371 PolarHBondContact O-NZ 3.01Å; S104-K371 VanDerWaalsContact OG-CD 3.28Å; S104-K371 WeakPolarHBondContact OG-CD 3.49Å; S104-K371 WeakPolarHBondContact OG-CE 3.31Å
372	D	89.1	Confident	96.5	Very high	66 Å²	66	25.9 Å²	25.9	35%	0.353	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-2.5	174.9	71.9	-30.5	0	0	0	113.6	P71 A370 S374	P71-D372 WeakPolarHBondContact CG-O 3.45Å; A370-D372 WeakPolarHBondContact CB-OD1 3.39Å; A370-D372 PolarHBondContact O-N 3.43Å; A370-D372 VanDerWaalsContact O-N 3.1Å; D372-S374 VanDerWaalsContact CG-OG 3.26Å; D372-S374 WeakPolarHBondContact OD1-CB 3.32Å; D372-S374 PolarHBondContact OD1-N 3.38Å; D372-S374 PolarHBondContact OD1-OG 2.76Å; D372-S374 PolarHBondContact OD2-OG 2.76Å
373	G	91.3	Very high	96.5	Very high	21 Å²	21	23.8 Å²	23.8	22%	0.216	14%	0.139	C	C	.	.	S	Bend	trans	83.5	6.3	-172	0	0	0	0	0	114.5	A370 V375	A370-G373 PolarHBondContact O-N 2.78Å; G373-V375 PolarHBondContact O-N 3.01Å
374	S	95.4	Very high	96.6	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.133	C	C	.	.			trans	-67.3	127.8	168.7	-70.9	0	0	0	0	110.2	A370 D372 K387 F388	A370-S374 PolarHBondContact N-O 2.76Å; D372-S374 VanDerWaalsContact CG-OG 3.26Å; D372-S374 WeakPolarHBondContact OD1-CB 3.32Å; D372-S374 PolarHBondContact OD1-N 3.38Å; D372-S374 PolarHBondContact OD1-OG 2.76Å; D372-S374 PolarHBondContact OD2-OG 2.76Å; S374-K387 VanDerWaalsContact CB-CE 3.44Å; S374-K387 WeakPolarHBondContact OG-CE 3.49Å; S374-K387 PolarHBondContact OG-NZ 2.94Å; S374-F388 WeakPolarHBondContact CA-O 3.05Å
375	V	98.3	Very high	96.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	135.1	174.5	178.2	0	0	0	0	109.2	L79 F325 F354 I367 V368 V369 G373 K387 F388	L79-V375 HydrophobicContact CD1-CB 4.49Å; L79-V375 HydrophobicContact CD1-CG2 3.92Å; L79-V375 HydrophobicContact CD2-CG2 4.35Å; F325-V375 HydrophobicContact CD1-CG2 3.87Å; F325-V375 HydrophobicContact CE1-CG2 3.75Å; F325-V375 HydrophobicContact CZ-CG2 4.49Å; F354-V375 HydrophobicContact CE2-CG1 4.36Å; F354-V375 HydrophobicContact CZ-CG1 3.96Å; I367-V375 HydrophobicContact CD1-CG1 3.81Å; I367-V375 HydrophobicContact CG1-CG1 3.9Å; V368-V375 CarbonylContact O-C 3.58Å; V368-V375 WeakPolarHBondContact O-CA 3.03Å; V369-V375 HydrophobicContact CB-CG2 4.23Å; V369-V375 HydrophobicContact CG2-CG2 3.98Å; G373-V375 PolarHBondContact O-N 3.01Å; V375-K387 CarbonylContact O-C 3.57Å; V375-K387 WeakPolarHBondContact O-CA 3.25Å; V375-F388 HydrophobicContact CB-CB 4.36Å; V375-F388 PolarHBondContact N-O 2.75Å; V375-F388 PolarHBondContact O-N 2.84Å
376	F	98.8	Very high	96.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	134.9	176.1	-61	-91.3	0	0	0	110.2	W85 L98 L106 P145 I367 V368 A370 V385 F386 K387	W85-F376 HydrophobicContact CD2-CE1 4.34Å; W85-F376 AromaticContact CE2-CE1 3.88Å; W85-F376 HydrophobicContact CE3-CE1 4.47Å; W85-F376 AromaticContact CH2-CD1 3.83Å; W85-F376 HydrophobicContact CH2-CD1 3.83Å; W85-F376 AromaticContact CH2-CE1 3.83Å; W85-F376 HydrophobicContact CH2-CE1 3.83Å; W85-F376 HydrophobicContact CZ2-CD1 4.12Å; W85-F376 AromaticContact CZ2-CE1 3.62Å; W85-F376 HydrophobicContact CZ2-CE1 3.62Å; W85-F376 HydrophobicContact CZ3-CD1 4.1Å; W85-F376 HydrophobicContact CZ3-CE1 4.25Å; L98-F376 HydrophobicContact CD1-CB 4Å; L106-F376 HydrophobicContact CD1-CB 3.86Å; L106-F376 HydrophobicContact CD1-CD1 4.34Å; L106-F376 HydrophobicContact CD1-CD2 4.11Å; L106-F376 HydrophobicContact CD1-CG 3.86Å; L106-F376 HydrophobicContact CD2-CB 4.49Å; L106-F376 HydrophobicContact CD2-CD1 3.84Å; L106-F376 HydrophobicContact CD2-CE1 4.26Å; L106-F376 HydrophobicContact CD2-CG 4.21Å; P145-F376 HydrophobicContact CB-CE2 4.4Å; P145-F376 HydrophobicContact CB-CZ 3.83Å; I367-F376 CarbonylContact C-O 3.58Å; I367-F376 VanDerWaalsContact CA-O 3.31Å; I367-F376 WeakPolarHBondContact CA-O 3.06Å; V368-F376 HydrophobicContact CG2-CB 3.92Å; V368-F376 HydrophobicContact CG2-CD2 4.37Å; V368-F376 PolarHBondContact N-O 3.17Å; V368-F376 PolarHBondContact O-N 3.39Å; A370-F376 HydrophobicContact CB-CE2 4.4Å; F376-V385 HydrophobicContact CB-CG1 4.29Å; F376-V385 HydrophobicContact CD1-CG1 4.45Å; F376-F386 CarbonylContact C-O 3.56Å; F376-F386 VanDerWaalsContact CA-O 3.3Å; F376-F386 WeakPolarHBondContact CA-O 3.22Å; F376-K387 HydrophobicContact CD1-CB 3.89Å; F376-K387 HydrophobicContact CD1-CG 4Å; F376-K387 HydrophobicContact CE1-CB 3.79Å; F376-K387 HydrophobicContact CE1-CD 3.62Å; F376-K387 HydrophobicContact CE1-CG 3.58Å; F376-K387 HydrophobicContact CZ-CD 3.82Å; F376-K387 HydrophobicContact CZ-CG 4.03Å
377	V	98.8	Very high	96.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	122.8	176.8	179.5	0	0	0	0	109.7	V327 F354 F361 P364 D366 I367 V385 F386 F388	V327-V377 HydrophobicContact CG1-CG1 3.93Å; V327-V377 HydrophobicContact CG1-CG2 4.06Å; F354-V377 HydrophobicContact CE2-CG2 4.15Å; F361-V377 HydrophobicContact CD1-CG1 4.37Å; F361-V377 HydrophobicContact CE1-CB 3.93Å; F361-V377 HydrophobicContact CE1-CG1 3.52Å; F361-V377 HydrophobicContact CZ-CB 4.02Å; F361-V377 HydrophobicContact CZ-CG1 3.75Å; F361-V377 HydrophobicContact CZ-CG2 4.15Å; P364-V377 HydrophobicContact CB-CG1 3.7Å; D366-V377 CarbonylContact O-C 3.6Å; D366-V377 WeakPolarHBondContact O-CA 3.36Å; I367-V377 HydrophobicContact CB-CG2 4.3Å; I367-V377 HydrophobicContact CD1-CG2 3.94Å; I367-V377 HydrophobicContact CG1-CG2 3.96Å; V377-V385 WeakPolarHBondContact O-CA 3.37Å; V377-F386 PolarHBondContact N-O 2.71Å; V377-F386 PolarHBondContact O-N 2.84Å; V377-F388 HydrophobicContact CB-CE2 4.31Å; V377-F388 HydrophobicContact CG2-CD2 4.38Å; V377-F388 HydrophobicContact CG2-CE2 4.02Å
378	G	98.6	Very high	96.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	130.7	176.6	0	0	0	0	0	110.4	L98 P364 H365 D366	L98-G378 VanDerWaalsContact CD1-N 3.29Å; P364-G378 CarbonylContact C-O 3.59Å; H365-G378 PolarHBondContact N-O 2.72Å; D366-G378 PolarHBondContact N-O 3.34Å; D366-G378 PolarHBondContact O-N 2.85Å
379	D	98.4	Very high	96.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	115.7	-176.1	-172.7	-69.1	0	0	0	111.6	K362 M363 G381 S382 N383 S384 F386	K362-D379 PolarHBondContact N-OD2 3.25Å; M363-D379 VanDerWaalsContact C-OD2 3.27Å; M363-D379 PolarHBondContact N-OD1 3.28Å; M363-D379 PolarHBondContact N-OD2 2.79Å; M363-D379 CarbonylContact O-C 3.58Å; M363-D379 WeakPolarHBondContact O-CA 3.34Å; D379-G381 VanDerWaalsContact C-N 3.34Å; D379-G381 WeakPolarHBondContact OD1-CA 3.33Å; D379-G381 PolarHBondContact OD1-N 3.33Å; D379-S382 WeakPolarHBondContact CB-OG 3.32Å; D379-S382 WeakPolarHBondContact OD1-CB 3.17Å; D379-S382 PolarHBondContact OD1-N 2.94Å; D379-S382 PolarHBondContact OD1-OG 3.34Å; D379-N383 WeakPolarHBondContact O-CA 3.32Å; D379-N383 PolarHBondContact O-N 3.21Å; D379-N383 VanDerWaalsContact O-N 3.12Å; D379-S384 PolarHBondContact N-O 2.93Å; D379-S384 PolarHBondContact O-N 2.95Å; D379-F386 HydrophobicContact CB-CD2 4.38Å; D379-F386 HydrophobicContact CB-CE2 3.89Å
380	A	97.6	Very high	95.8	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-7.4	-175.8	0	0	0	0	0	114.1	Q94 V95 M363 H365	Q94-A380 HydrophobicContact CB-CB 4.26Å; Q94-A380 WeakPolarHBondContact CG-O 2.96Å; Q94-A380 PolarHBondContact NE2-O 3.11Å; V95-A380 WeakPolarHBondContact O-CB 3.49Å; M363-A380 HydrophobicContact CE-CB 3.51Å; M363-A380 HydrophobicContact CG-CB 4.45Å; M363-A380 PolarHBondContact O-N 3.17Å; H365-A380 HydrophobicContact CB-CB 3.74Å
381	G	96.4	Very high	94.3	Very high	45 Å²	45	27.1 Å²	27.1	46%	0.464	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-23.3	177.9	0	0	0	0	0	113.3	D379	D379-G381 VanDerWaalsContact C-N 3.34Å; D379-G381 WeakPolarHBondContact OD1-CA 3.33Å; D379-G381 PolarHBondContact OD1-N 3.33Å
382	S	96.1	Very high	92.7	Very high	34 Å²	34	26.5 Å²	26.5	24%	0.238	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118	7	-179.8	63.2	0	0	0	0	113.7	D379 S384	D379-S382 WeakPolarHBondContact CB-OG 3.32Å; D379-S382 WeakPolarHBondContact OD1-CB 3.17Å; D379-S382 PolarHBondContact OD1-N 2.94Å; D379-S382 PolarHBondContact OD1-OG 3.34Å; S382-S384 PolarHBondContact O-N 2.92Å; S382-S384 VanDerWaalsContact O-N 3.16Å; S382-S384 PolarHBondContact O-OG 2.76Å
383	N	97.4	Very high	90.7	Very high	70 Å²	70	26.9 Å²	26.9	37%	0.374	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.6	44.1	179.1	-65.4	12	0	0	0	112.6	L92 G93 Q94 D379	L92-N383 PolarHBondContact O-ND2 2.83Å; G93-N383 WeakPolarHBondContact O-CA 3.44Å; G93-N383 WeakPolarHBondContact O-CB 3.28Å; Q94-N383 WeakPolarHBondContact CA-OD1 3.45Å; Q94-N383 PolarHBondContact N-OD1 2.79Å; D379-N383 WeakPolarHBondContact O-CA 3.32Å; D379-N383 PolarHBondContact O-N 3.21Å; D379-N383 VanDerWaalsContact O-N 3.12Å
384	S	96.6	Very high	88.2	Confident	19 Å²	19	30.8 Å²	30.8	13%	0.133	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	156.5	-168.4	-67.5	0	0	0	0	110.9	D379 S382	D379-S384 PolarHBondContact N-O 2.93Å; D379-S384 PolarHBondContact O-N 2.95Å; S382-S384 PolarHBondContact O-N 2.92Å; S382-S384 VanDerWaalsContact O-N 3.16Å; S382-S384 PolarHBondContact O-OG 2.76Å
385	V	98.1	Very high	85.4	Confident	10 Å²	10	38.9 Å²	38.9	6%	0.061	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	137.5	163	-175.6	0	0	0	0	108.3	W85 L92 V95 L98 L106 I108 F376 V377	W85-V385 HydrophobicContact CH2-CB 4.21Å; W85-V385 HydrophobicContact CH2-CG1 3.96Å; W85-V385 HydrophobicContact CZ3-CB 4.04Å; W85-V385 HydrophobicContact CZ3-CG1 3.88Å; L92-V385 HydrophobicContact CD1-CG2 4Å; V95-V385 HydrophobicContact CG1-CG2 4.08Å; V95-V385 HydrophobicContact CG2-CG2 4.12Å; L98-V385 HydrophobicContact CD1-CG1 4.16Å; L98-V385 HydrophobicContact CD2-CG1 4.48Å; L98-V385 HydrophobicContact CD2-CG2 4.12Å; L106-V385 HydrophobicContact CD2-CG1 4.02Å; I108-V385 HydrophobicContact CD1-CG2 3.98Å; I108-V385 HydrophobicContact CG1-CG2 4.44Å; I108-V385 HydrophobicContact CG2-CG2 4.33Å; F376-V385 HydrophobicContact CB-CG1 4.29Å; F376-V385 HydrophobicContact CD1-CG1 4.45Å; V377-V385 WeakPolarHBondContact O-CA 3.37Å
386	F	98.1	Very high	82.5	Confident	9 Å²	9	42.9 Å²	42.9	4%	0.039	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	135.7	177.8	-60.5	-87.2	0	0	0	109.8	P356 K359 F361 F376 V377 D379 F388	P356-F386 HydrophobicContact CB-CD1 3.49Å; P356-F386 VanDerWaalsContact CB-CD1 3.49Å; P356-F386 HydrophobicContact CB-CE1 3.7Å; P356-F386 HydrophobicContact CB-CG 4.17Å; P356-F386 HydrophobicContact CG-CD1 3.65Å; P356-F386 HydrophobicContact CG-CD2 4.29Å; P356-F386 HydrophobicContact CG-CE1 3.75Å; P356-F386 HydrophobicContact CG-CE2 4.38Å; P356-F386 HydrophobicContact CG-CG 3.92Å; P356-F386 HydrophobicContact CG-CZ 4.11Å; K359-F386 HydrophobicContact CB-CE1 4.04Å; K359-F386 HydrophobicContact CB-CZ 4.17Å; K359-F386 HydrophobicContact CD-CE1 4.3Å; K359-F386 HydrophobicContact CD-CZ 4.34Å; F361-F386 AromaticContact CD1-CD2 3.91Å; F361-F386 HydrophobicContact CD1-CD2 3.91Å; F361-F386 AromaticContact CD1-CE2 3.88Å; F361-F386 HydrophobicContact CD1-CE2 3.88Å; F361-F386 HydrophobicContact CE1-CB 4.44Å; F361-F386 AromaticContact CE1-CD2 3.64Å; F361-F386 HydrophobicContact CE1-CD2 3.64Å; F361-F386 HydrophobicContact CE1-CE2 4.11Å; F361-F386 HydrophobicContact CE1-CG 4.15Å; F376-F386 CarbonylContact C-O 3.56Å; F376-F386 VanDerWaalsContact CA-O 3.3Å; F376-F386 WeakPolarHBondContact CA-O 3.22Å; V377-F386 PolarHBondContact N-O 2.71Å; V377-F386 PolarHBondContact O-N 2.84Å; D379-F386 HydrophobicContact CB-CD2 4.38Å; D379-F386 HydrophobicContact CB-CE2 3.89Å; F386-F388 HydrophobicContact CB-CD2 4.48Å; F386-F388 HydrophobicContact CB-CE2 3.59Å; F386-F388 HydrophobicContact CB-CZ 3.95Å
387	K	97.8	Very high	79.6	Confident	20 Å²	20	48.2 Å²	48.2	9%	0.087	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	139	172.2	-176.8	179.2	-171.5	178.7	0	110.5	Q81 V82 W85 P145 S374 V375 F376	Q81-K387 WeakPolarHBondContact CA-O 3.39Å; V82-K387 HydrophobicContact CB-CB 4.24Å; V82-K387 HydrophobicContact CB-CD 4.22Å; V82-K387 HydrophobicContact CB-CG 4.16Å; V82-K387 HydrophobicContact CG2-CD 4.14Å; V82-K387 HydrophobicContact CG2-CG 4.03Å; V82-K387 PolarHBondContact N-O 2.9Å; W85-K387 HydrophobicContact CB-CB 4.3Å; W85-K387 HydrophobicContact CB-CD 4.34Å; W85-K387 HydrophobicContact CD2-CB 3.78Å; W85-K387 HydrophobicContact CD2-CD 4.19Å; W85-K387 HydrophobicContact CE3-CB 3.5Å; W85-K387 HydrophobicContact CG-CB 4.13Å; W85-K387 HydrophobicContact CG-CD 3.96Å; W85-K387 HydrophobicContact CZ3-CB 4.15Å; P145-K387 PolarHBondContact O-NZ 3.07Å; S374-K387 VanDerWaalsContact CB-CE 3.44Å; S374-K387 WeakPolarHBondContact OG-CE 3.49Å; S374-K387 PolarHBondContact OG-NZ 2.94Å; V375-K387 CarbonylContact O-C 3.57Å; V375-K387 WeakPolarHBondContact O-CA 3.25Å; F376-K387 HydrophobicContact CD1-CB 3.89Å; F376-K387 HydrophobicContact CD1-CG 4Å; F376-K387 HydrophobicContact CE1-CB 3.79Å; F376-K387 HydrophobicContact CE1-CD 3.62Å; F376-K387 HydrophobicContact CE1-CG 3.58Å; F376-K387 HydrophobicContact CZ-CD 3.82Å; F376-K387 HydrophobicContact CZ-CG 4.03Å
388	F	97.6	Very high	76.6	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	149.7	174.6	-56.1	-93.9	0	0	0	111.2	L79 E80 Q81 F354 P356 F361 S374 V375 V377 F386	L79-F388 HydrophobicContact CB-CB 4.28Å; E80-F388 CarbonylContact O-C 3.59Å; E80-F388 WeakPolarHBondContact O-CA 3.48Å; Q81-F388 HydrophobicContact CB-CD1 4.01Å; Q81-F388 HydrophobicContact CB-CE1 3.84Å; Q81-F388 HydrophobicContact CG-CE1 4.18Å; F354-F388 HydrophobicContact CD2-CB 4.48Å; F354-F388 AromaticContact CD2-CD1 3.64Å; F354-F388 HydrophobicContact CD2-CD1 3.64Å; F354-F388 AromaticContact CD2-CD2 3.92Å; F354-F388 HydrophobicContact CD2-CD2 3.92Å; F354-F388 AromaticContact CD2-CE1 3.74Å; F354-F388 HydrophobicContact CD2-CE1 3.74Å; F354-F388 AromaticContact CD2-CE2 4Å; F354-F388 HydrophobicContact CD2-CE2 4Å; F354-F388 AromaticContact CD2-CG 3.75Å; F354-F388 HydrophobicContact CD2-CG 3.75Å; F354-F388 AromaticContact CD2-CZ 3.92Å; F354-F388 HydrophobicContact CD2-CZ 3.92Å; F354-F388 HydrophobicContact CE2-CD1 4.28Å; F354-F388 AromaticContact CE2-CD2 3.69Å; F354-F388 HydrophobicContact CE2-CD2 3.69Å; F354-F388 HydrophobicContact CE2-CE1 4.43Å; F354-F388 AromaticContact CE2-CE2 3.86Å; F354-F388 HydrophobicContact CE2-CE2 3.86Å; F354-F388 AromaticContact CE2-CG 3.92Å; F354-F388 HydrophobicContact CE2-CG 3.92Å; F354-F388 HydrophobicContact CE2-CZ 4.24Å; F354-F388 HydrophobicContact CG-CD1 4.48Å; P356-F388 HydrophobicContact CB-CE1 4.37Å; P356-F388 HydrophobicContact CB-CZ 4.05Å; P356-F388 HydrophobicContact CG-CZ 3.96Å; F361-F388 HydrophobicContact CE1-CZ 4.42Å; F361-F388 HydrophobicContact CZ-CE2 4.07Å; F361-F388 AromaticContact CZ-CZ 3.88Å; F361-F388 HydrophobicContact CZ-CZ 3.88Å; S374-F388 WeakPolarHBondContact CA-O 3.05Å; V375-F388 HydrophobicContact CB-CB 4.36Å; V375-F388 PolarHBondContact N-O 2.75Å; V375-F388 PolarHBondContact O-N 2.84Å; V377-F388 HydrophobicContact CB-CE2 4.31Å; V377-F388 HydrophobicContact CG2-CD2 4.38Å; V377-F388 HydrophobicContact CG2-CE2 4.02Å; F386-F388 HydrophobicContact CB-CD2 4.48Å; F386-F388 HydrophobicContact CB-CE2 3.59Å; F386-F388 HydrophobicContact CB-CZ 3.95Å
389	T	95.2	Very high	73.5	Confident	13 Å²	13	65.9 Å²	65.9	8%	0.08	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	150.5	176.8	54.2	0	0	0	0	111.1	E80 V82	E80-T389 PolarHBondContact N-O 3.17Å; E80-T389 PolarHBondContact O-N 2.84Å; V82-T389 HydrophobicContact CG2-CG2 3.72Å; V82-T389 VanDerWaalsContact CG2-OG1 3.3Å; V82-T389 WeakPolarHBondContact CG2-OG1 3.05Å
390	A	88.7	Confident	70.5	Confident	20 Å²	20	69 Å²	69	17%	0.165	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	138.5	171.2	0	0	0	0	0	112.3	L73 H78 K392 L393	L73-A390 HydrophobicContact CD2-CB 3.8Å; H78-A390 WeakPolarHBondContact O-CA 3.38Å; A390-K392 PolarHBondContact O-N 3.11Å; A390-L393 PolarHBondContact O-N 2.81Å; A390-L393 VanDerWaalsContact O-N 3.11Å
391	E	63.6	Low	67.2	Low	94 Å²	94	72 Å²	72	44%	0.439	39%	0.393	S	S	.	.	H	α-helix	trans	-42.3	-40.4	-174.9	-111.4	-147.9	110.9	0	0	114.9	L393 H394 R395	E391-L393 PolarHBondContact O-N 3.29Å; E391-H394 PolarHBondContact O-N 2.85Å; E391-H394 VanDerWaalsContact O-N 3.11Å; E391-R395 IonicContact OE1-CZ 2.67Å; E391-R395 IonicContact OE1-NE 3.59Å; E391-R395 IonicContact OE1-NH2 3.99Å; E391-R395 PolarHBondContact OE1-NH2 3.25Å
392	K	55.5	Low	64.4	Low	135 Å²	135	76.7 Å²	76.7	59%	0.587	41%	0.406	S	S	*	.	H	α-helix	trans	-61.2	-28.9	-173	-66.3	-178.6	-175.4	175.7	0	113	D74 A390	D74-K392 IonicContact OD2-NZ 2.85Å; D74-K392 PolarHBondContact OD2-NZ 3.03Å; A390-K392 PolarHBondContact O-N 3.11Å
393	L	45.7	Very low	61.3	Low	74 Å²	74	83.7 Å²	83.7	39%	0.387	44%	0.435	S	S	.	.	H	α-helix	trans	-69.6	-44.3	175.6	-125	73.1	0	0	0	111.4	A390 E391 R395 S396	A390-L393 PolarHBondContact O-N 2.81Å; A390-L393 VanDerWaalsContact O-N 3.11Å; E391-L393 PolarHBondContact O-N 3.29Å; L393-R395 VanDerWaalsContact C-N 3.32Å; L393-R395 PolarHBondContact O-N 2.75Å; L393-S396 WeakPolarHBondContact O-CB 3.4Å; L393-S396 PolarHBondContact O-N 3.47Å; L393-S396 VanDerWaalsContact O-N 3.15Å
394	H	39.1	Very low	58.2	Low	104 Å²	104	86.1 Å²	86.1	48%	0.481	45%	0.452	S	S	.	.	H	α-helix	trans	-70.8	-26.3	-167.4	-148.8	-31.4	0	0	0	113.5	E391	E391-H394 PolarHBondContact O-N 2.85Å; E391-H394 VanDerWaalsContact O-N 3.11Å
395	R	37.5	Very low	54.9	Low	169 Å²	169	93 Å²	93	64%	0.638	48%	0.482	S	S	*	.	H	α-helix	trans	-75.9	-26.9	173.9	-67.4	-168.7	-171.8	-178.3	6.9	113.8	E391 L393 V397 K398 K399	E391-R395 IonicContact OE1-CZ 2.67Å; E391-R395 IonicContact OE1-NE 3.59Å; E391-R395 IonicContact OE1-NH2 3.99Å; E391-R395 PolarHBondContact OE1-NH2 3.25Å; L393-R395 VanDerWaalsContact C-N 3.32Å; L393-R395 PolarHBondContact O-N 2.75Å; R395-V397 PolarHBondContact O-N 3.24Å; R395-K398 PolarHBondContact O-N 3.09Å; R395-K399 WeakPolarHBondContact O-CB 3.42Å; R395-K399 PolarHBondContact O-N 2.96Å
396	S	37.1	Very low	51.9	Low	85 Å²	85	101.4 Å²	101.4	59%	0.594	52%	0.521	S	S	*	.	H	α-helix	trans	-63.4	-42.9	-176.6	-161.5	0	0	0	0	111.5	L393 K399 A400	L393-S396 WeakPolarHBondContact O-CB 3.4Å; L393-S396 PolarHBondContact O-N 3.47Å; L393-S396 VanDerWaalsContact O-N 3.15Å; S396-K399 PolarHBondContact O-N 3.07Å; S396-A400 PolarHBondContact O-N 2.96Å; S396-A400 VanDerWaalsContact O-N 3.17Å
397	V	37.8	Very low	48.5	Very low	111 Å²	111	107.9 Å²	107.9	67%	0.673	56%	0.555	S	S	*	*	H	α-helix	trans	-61.3	-47.2	175.3	-175.2	0	0	0	0	111.5	R395 K399 A400	R395-V397 PolarHBondContact O-N 3.24Å; V397-K399 PolarHBondContact O-N 3.21Å; V397-A400 WeakPolarHBondContact O-CB 3.47Å; V397-A400 PolarHBondContact O-N 2.57Å; V397-A400 VanDerWaalsContact O-N 3.16Å
398	K	35.6	Very low	45.4	Very low	178 Å²	178	115.8 Å²	115.8	77%	0.774	59%	0.592	S	S	*	*	H	α-helix	trans	-64.3	-26.8	177	-74.5	-172.1	174.3	-179.2	0	113.3	R395	R395-K398 PolarHBondContact O-N 3.09Å
399	K	34.3	Very low	42	Very low	193 Å²	193	121.5 Å²	121.5	84%	0.839	63%	0.627	S	S	*	*	H	α-helix	trans	-85.7	-9	178	-148.2	175.9	-174.7	-177.5	0	113.6	R395 S396 V397 G401	R395-K399 WeakPolarHBondContact O-CB 3.42Å; R395-K399 PolarHBondContact O-N 2.96Å; S396-K399 PolarHBondContact O-N 3.07Å; V397-K399 PolarHBondContact O-N 3.21Å; K399-G401 VanDerWaalsContact C-N 3.34Å
400	A	34	Very low	38.9	Very low	67 Å²	67	128.7 Å²	128.7	55%	0.554	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-3.4	178.1	0	0	0	0	0	114.2	S396 V397 I402	S396-A400 PolarHBondContact O-N 2.96Å; S396-A400 VanDerWaalsContact O-N 3.17Å; V397-A400 WeakPolarHBondContact O-CB 3.47Å; V397-A400 PolarHBondContact O-N 2.57Å; V397-A400 VanDerWaalsContact O-N 3.16Å; A400-I402 VanDerWaalsContact C-N 3.32Å; A400-I402 PolarHBondContact O-N 3.48Å
401	G	29.3	Very low	36	Very low	63 Å²	63	131.8 Å²	131.8	65%	0.649	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	71.4	15.6	167.2	0	0	0	0	0	116.4	K399 E403	K399-G401 VanDerWaalsContact C-N 3.34Å; G401-E403 PolarHBondContact O-N 2.03Å; G401-E403 VanDerWaalsContact O-N 3.17Å
402	I	37.7	Very low	34.5	Very low	143 Å²	143	135.6 Å²	135.6	73%	0.733	70%	0.7	S	S	*	*			trans	-80.2	94.8	171.7	-56	178.7	0	0	0	108.3	A400 V404	A400-I402 VanDerWaalsContact C-N 3.32Å; A400-I402 PolarHBondContact O-N 3.48Å; I402-V404 HydrophobicContact CG2-CG2 4.42Å; I402-V404 PolarHBondContact O-N 3.19Å; I402-V404 VanDerWaalsContact O-N 3.12Å
403	E	29.9	Very low	33.2	Very low	180 Å²	180	135.4 Å²	135.4	84%	0.841	71%	0.71	S	S	*	*			trans	-66	104.7	162.9	-70.9	-173	144.1	0	0	108.9	G401 Q405	G401-E403 PolarHBondContact O-N 2.03Å; G401-E403 VanDerWaalsContact O-N 3.17Å; E403-Q405 PolarHBondContact O-N 2.7Å
404	V	32.4	Very low	32.3	Very low	122 Å²	122	140.3 Å²	140.3	74%	0.739	73%	0.731	S	S	*	*			trans	-73	104.6	166.1	179.6	0	0	0	0	106.9	I402 E406	I402-V404 HydrophobicContact CG2-CG2 4.42Å; I402-V404 PolarHBondContact O-N 3.19Å; I402-V404 VanDerWaalsContact O-N 3.12Å; V404-E406 PolarHBondContact O-N 2.66Å
405	Q	27.9	Very low	31.8	Very low	163 Å²	163	139.8 Å²	139.8	76%	0.762	75%	0.745	S	S	*	*			trans	-63	122.3	169.3	-70.9	-177.1	-17.5	0	0	109	E403 L407	E403-Q405 PolarHBondContact O-N 2.7Å; Q405-L407 PolarHBondContact O-N 3.2Å
406	E	35.4	Very low	31.2	Very low	187 Å²	187	140.7 Å²	140.7	87%	0.874	75%	0.754	S	S	*	*			trans	-68.6	94.9	171.3	-71.4	-178.3	125	0	0	109.2	V404 E408	V404-E406 PolarHBondContact O-N 2.66Å; E406-E408 PolarHBondContact O-N 3.31Å
407	L	27.5	Very low	30.9	Very low	144 Å²	144	144.5 Å²	144.5	75%	0.754	77%	0.766	S	S	*	*			trans	-77.8	92.5	166.8	-83.9	164.9	0	0	0	108.9	Q405 V409	Q405-L407 PolarHBondContact O-N 3.2Å; L407-V409 HydrophobicContact CB-CG2 4.38Å; L407-V409 PolarHBondContact O-N 2.79Å
408	E	30.7	Very low	30.4	Very low	187 Å²	187	149.9 Å²	149.9	87%	0.874	77%	0.774	S	S	*	*			trans	-60.2	105.5	162.4	-70	-170.5	126.5	0	0	109.2	E406	E406-E408 PolarHBondContact O-N 3.31Å
409	V	27.7	Very low	30.2	Very low	119 Å²	119	147 Å²	147	72%	0.721	77%	0.774	S	S	*	*			trans	-104.8	91	174.3	-176.4	0	0	0	0	109	L407 A411	L407-V409 HydrophobicContact CB-CG2 4.38Å; L407-V409 PolarHBondContact O-N 2.79Å; V409-A411 PolarHBondContact O-N 3.42Å
410	E	30.4	Very low	30.2	Very low	164 Å²	164	146.7 Å²	146.7	77%	0.766	78%	0.775	S	S	*	*			trans	-63.9	93	169.3	-75.2	-159.3	125.1	0	0	110.8	F412	E410-F412 VanDerWaalsContact C-N 3.26Å; E410-F412 HydrophobicContact CB-CD2 4.47Å; E410-F412 PolarHBondContact O-N 3.27Å
411	A	27.8	Very low	30.2	Very low	85 Å²	85	149.2 Å²	149.2	70%	0.702	79%	0.786	S	S	*	*			trans	-76.9	68.2	-179.6	0	0	0	0	0	112.7	V409 V413	V409-A411 PolarHBondContact O-N 3.42Å; A411-V413 PolarHBondContact O-N 3.03Å
412	F	30.3	Very low	30.2	Very low	174 Å²	174	153 Å²	153	76%	0.763	79%	0.791	S	S	*	*			trans	-65.7	98.5	170.6	-98.5	-83.3	0	0	0	111.6	E410	E410-F412 VanDerWaalsContact C-N 3.26Å; E410-F412 HydrophobicContact CB-CD2 4.47Å; E410-F412 PolarHBondContact O-N 3.27Å
413	V	29.1	Very low	29.8	Very low	131 Å²	131	152.9 Å²	152.9	79%	0.794	79%	0.791	S	S	*	*			trans	-113.6	100.2	170.5	-177	0	0	0	0	110.1	A411 A415	A411-V413 PolarHBondContact O-N 3.03Å; V413-A415 PolarHBondContact O-N 2.92Å
414	Q	27.3	Very low	29.7	Very low	177 Å²	177	148.6 Å²	148.6	83%	0.827	78%	0.781	S	S	*	*			trans	-67.8	115.6	171	-78.8	-172	-16.1	0	0	110.8	K416	Q414-K416 PolarHBondContact O-N 3.12Å
415	A	28.1	Very low	29.5	Very low	93 Å²	93	151.5 Å²	151.5	77%	0.769	78%	0.783	S	S	*	*			trans	-64.1	124.3	171.2	0	0	0	0	0	111	V413	V413-A415 PolarHBondContact O-N 2.92Å
416	K	25.7	Very low	29.4	Very low	189 Å²	189	150 Å²	150	82%	0.822	79%	0.785	S	S	*	*			trans	-119.2	69.7	179	-153.5	165.3	-166.2	165.1	0	111.9	Q414 R418	Q414-K416 PolarHBondContact O-N 3.12Å; K416-R418 PolarHBondContact O-N 3.15Å
417	L	30.7	Very low	29	Very low	165 Å²	165	145.5 Å²	145.5	86%	0.864	78%	0.78	S	S	*	*			trans	-48.8	133.8	171	-82	155.6	0	0	0	111.8
418	R	26.4	Very low	29.9	Very low	223 Å²	223	144.5 Å²	144.5	84%	0.842	78%	0.782	S	S	*	*			trans	-137	150.8	159.1	-76	-165.3	167.4	-173.1	-4.6	110.2	K416	K416-R418 PolarHBondContact O-N 3.15Å
419	P	31.6	Very low	29.6	Very low	117 Å²	117	141.5 Å²	141.5	76%	0.76	78%	0.777	S	S	*	*			trans	-109.9	167.3	-146.8	39.3	-33	0	0	0	115.3
420	H	34.4	Very low	29.5	Very low	187 Å²	187	143.6 Å²	143.6	87%	0.866	78%	0.776	S	S	*	*			trans	-62.9	141.5	164.4	-64.3	-80.5	0	0	0	112.2
421	P	34.3	Very low	29.3	Very low	120 Å²	120	141.1 Å²	141.1	78%	0.779	76%	0.764	S	S	*	*			trans	-92.7	153.9	154.3	35.7	-30.4	0	0	0	111.1
422	N	28.1	Very low	29.3	Very low	143 Å²	143	144.6 Å²	144.6	77%	0.765	76%	0.764	S	S	*	*			trans	-150.1	149.9	-180	-147.3	-1.7	0	0	0	111.8
423	I	31	Very low	29.2	Very low	141 Å²	141	143.2 Å²	143.2	72%	0.723	76%	0.76	S	S	*	*			trans	71.8	100.5	156.7	-65.5	160.5	0	0	0	119.8
424	S	26.1	Very low	29	Very low	90 Å²	90	142.2 Å²	142.2	63%	0.629	75%	0.754	S	S	*	*				85.2	143.2	117.6	-152.5	0	0	0	0	124.5
425	K	28.8	Very low	29	Very low	182 Å²	182	140 Å²	140	79%	0.791	75%	0.752	S	S	*	*			trans	73.9	151.5	162.3	-67.3	149.1	-174.2	177.4	0	117
426	T	26.7	Very low	28.9	Very low	132 Å²	132	139.3 Å²	139.3	81%	0.81	75%	0.747	S	S	*	*			cis	-150.6	149	8.9	-19.2	0	0	0	0	113.6
427	A	26.1	Very low	29	Very low	92 Å²	92	137.6 Å²	137.6	76%	0.76	74%	0.741	S	S	*	*			trans	42.2	144.5	149.2	0	0	0	0	0	124.2
428	P	47.1	Very low	28.8	Very low	124 Å²	124	137.1 Å²	137.1	81%	0.805	73%	0.732	S	S	*	*			trans	-113.1	177.7	-179.6	43.6	-35.6	0	0	0	115
429	V	24.9	Very low	28.7	Very low	124 Å²	124	133.1 Å²	133.1	75%	0.752	73%	0.728	S	S	*	*			trans	-162.9	128.5	155.1	117.4	0	0	0	0	114.9
430	K	25.1	Very low	28.6	Very low	163 Å²	163	134.6 Å²	134.6	71%	0.709	72%	0.724	S	S	*	*			trans	63.9	156	150.4	-65.6	174	151.1	-129.3	0	120.8
431	E	26.8	Very low	28.8	Very low	111 Å²	111	131.6 Å²	131.6	52%	0.519	72%	0.721	S	S	.	*			cis	-155.8	147.5	-7.3	-123.8	170.7	126.3	0	0	113.4
432	K	27.1	Very low	28.5	Very low	158 Å²	158	132.5 Å²	132.5	69%	0.687	72%	0.719	S	S	*	*			trans	54.2	146.7	145.2	-75.2	167.2	178.4	159	0	121.5
433	Q	27.1	Very low	28.5	Very low	146 Å²	146	132.3 Å²	132.3	68%	0.682	72%	0.722	S	S	*	*			cis	-149.5	-146.8	-8.3	-134.8	164.4	-109.2	0	0	108.4
434	T	25.7	Very low	28.3	Very low	109 Å²	109	128.5 Å²	128.5	67%	0.669	72%	0.718	S	S	*	*			cis	-159.5	141.4	7.5	-4.9	0	0	0	0	106.6
435	V	26.6	Very low	28.4	Very low	131 Å²	131	130.7 Å²	130.7	79%	0.794	73%	0.728	S	S	*	*				58.8	127.2	90.5	-178.8	0	0	0	0	114.4
436	A	27.1	Very low	28.5	Very low	79 Å²	79	130.7 Å²	130.7	65%	0.653	73%	0.73	S	S	*	*			cis	-148.9	162.2	19.1	0	0	0	0	0	115.6
437	E	26.9	Very low	29.6	Very low	152 Å²	152	129.1 Å²	129.1	71%	0.71	72%	0.722	S	S	*	*			trans	39.9	146.7	137.9	-62.3	-163.5	150.3	0	0	122.5
438	K	28	Very low	29.6	Very low	155 Å²	155	135.9 Å²	135.9	67%	0.674	73%	0.728	S	S	*	*			cis	-158.3	-166.1	6.9	-120.4	163.9	-172	146.5	0	107.7
439	N	24.2	Very low	28.7	Very low	140 Å²	140	139.4 Å²	139.4	75%	0.749	73%	0.731	S	S	*	*			cis	-154.7	-172.1	10.6	-153.2	13.4	0	0	0	111.6
440	H	27.5	Very low	28.9	Very low	148 Å²	148	138.9 Å²	138.9	69%	0.685	73%	0.732	S	S	*	*			trans	-140.6	162.9	172.7	-106	-44.6	0	0	0	111.3
441	P	39.2	Very low	29.2	Very low	124 Å²	124	139 Å²	139	81%	0.805	74%	0.739	S	S	*	*				-151.1	-169	82.7	38	-17.2	0	0	0	115.7
442	L	29.3	Very low	29.7	Very low	139 Å²	139	139.2 Å²	139.2	73%	0.728	75%	0.75	S	S	*	*				-179.4	123.7	-63.6	-116.3	172.4	0	0	0	112
443	V	26.6	Very low	30.1	Very low	138 Å²	138	141.7 Å²	141.7	84%	0.836	76%	0.761	S	S	*	*			trans	-158.8	153.7	166.5	-175.5	0	0	0	0	105.9
444	G	28.5	Very low	30.1	Very low	62 Å²	62	140.4 Å²	140.4	64%	0.639	77%	0.768	S	S	*	*			cis	127.9	148.3	0.1	0	0	0	0	0	112.3
445	V	26.9	Very low	30.9	Very low	136 Å²	136	145.2 Å²	145.2	82%	0.824	78%	0.78	S	S	*	*			cis	-151.3	109.8	-8.4	-174.7	0	0	0	0	111
446	E	32.1	Very low	31.1	Very low	182 Å²	182	148.6 Å²	148.6	85%	0.85	78%	0.784	S	S	*	*			trans	68.7	160.1	150.8	-75.6	-95.4	111.6	0	0	124.3
447	P	49.9	Very low	31.5	Very low	98 Å²	98	153.4 Å²	153.4	64%	0.636	79%	0.793	S	S	*	*			trans	-138.3	-166.7	-155.7	46.6	-28.5	0	0	0	116.5
448	R	24.4	Very low	32.3	Very low	235 Å²	235	154.1 Å²	154.1	89%	0.887	80%	0.802	S	S	*	*			trans	-173.8	155.9	159	-99.2	156.1	-162.5	-143.9	7.2	109.3
449	K	28.1	Very low	33	Very low	198 Å²	198	151.6 Å²	151.6	86%	0.861	80%	0.804	S	S	*	*			cis	-164.3	158.5	-25	-123.6	-173	-174.8	-175.7	0	107.9
450	S	29.2	Very low	34.3	Very low	112 Å²	112	151.6 Å²	151.6	78%	0.783	80%	0.802	S	S	*	*			trans	-127.9	137.3	-174.8	53.1	0	0	0	0	114.5
451	I	32.4	Very low	35.5	Very low	166 Å²	166	150.1 Å²	150.1	85%	0.851	80%	0.799	S	S	*	*			trans	-149.3	-178.9	163.8	-17.5	175.7	0	0	0	109.6
452	P	37.2	Very low	36.4	Very low	116 Å²	116	149.1 Å²	149.1	75%	0.753	79%	0.792	S	S	*	*				-119.2	-178.7	-107.8	42.8	-28	0	0	0	116.5
453	K	35.1	Very low	37.7	Very low	209 Å²	209	145.4 Å²	145.4	91%	0.909	78%	0.782	S	S	*	*			trans	-72	150.4	168.5	-61.2	178.3	179.3	178.9	0	112.3
454	S	28.4	Very low	39.7	Very low	120 Å²	120	142.8 Å²	142.8	84%	0.839	77%	0.766	S	S	*	*			trans	-136.6	151.8	161.6	60.2	0	0	0	0	111.2
455	K	40.7	Very low	41.7	Very low	209 Å²	209	143.5 Å²	143.5	91%	0.909	76%	0.757	S	S	*	*			trans	-79.7	151	169.6	-66.8	179.6	178.3	179.7	0	109.5
456	K	31.8	Very low	44.1	Very low	202 Å²	202	141 Å²	141	88%	0.878	74%	0.742	S	S	*	*			trans	-148.8	149.3	157.2	-118.6	179.3	-179.8	-176.6	0	110.8
457	E	35.2	Very low	46.2	Very low	180 Å²	180	135.5 Å²	135.5	84%	0.841	72%	0.724	S	S	*	*			trans	-86.2	160.2	-174.7	-66.9	137.8	120.5	0	0	113	S459	E457-S459 PolarHBondContact O-N 3.24Å
458	N	44.3	Very low	47.7	Very low	167 Å²	167	136.1 Å²	136.1	89%	0.893	72%	0.722	S	S	*	*			trans	-78.8	100.3	179.4	-72.3	-18	0	0	0	111.6
459	S	41.5	Very low	50.5	Low	103 Å²	103	130 Å²	130	72%	0.72	71%	0.706	S	S	*	*			trans	-98.1	102.9	162	61	0	0	0	0	110.2	E457 L461	E457-S459 PolarHBondContact O-N 3.24Å; S459-L461 PolarHBondContact O-N 3.4Å
460	I	52.4	Low	53.3	Low	139 Å²	139	125.6 Å²	125.6	71%	0.713	69%	0.691	S	S	*	*			trans	-70.4	123.6	175.3	-61.3	173.9	0	0	0	108.6
461	L	53.3	Low	56.1	Low	118 Å²	118	125.1 Å²	125.1	62%	0.618	68%	0.679	S	S	*	*			trans	-67.1	134.4	178.2	-90.1	74.5	0	0	0	110.7	S459 A463 V464	S459-L461 PolarHBondContact O-N 3.4Å; L461-A463 PolarHBondContact O-N 3.41Å; L461-A463 VanDerWaalsContact O-N 3.07Å; L461-V464 PolarHBondContact O-N 3.07Å
462	P	57.8	Low	58.7	Low	102 Å²	102	122.3 Å²	122.3	66%	0.662	67%	0.665	S	S	*	*	H	α-helix	trans	-62.2	-21.5	-176.6	23.3	-33.6	0	0	0	113.9	V464 V465 V466	P462-V464 VanDerWaalsContact C-N 3.3Å; P462-V464 PolarHBondContact O-N 3.43Å; P462-V465 PolarHBondContact O-N 3.28Å; P462-V466 PolarHBondContact O-N 3.23Å
463	A	57	Low	61.2	Low	62 Å²	62	122 Å²	122	51%	0.512	66%	0.656	S	S	.	*	H	α-helix	trans	-55.6	-40.3	176.3	0	0	0	0	0	113.2	L461 V465 V466 S467	L461-A463 PolarHBondContact O-N 3.41Å; L461-A463 VanDerWaalsContact O-N 3.07Å; A463-V465 VanDerWaalsContact C-N 3.34Å; A463-V465 PolarHBondContact O-N 3.32Å; A463-V466 PolarHBondContact O-N 3.21Å; A463-S467 PolarHBondContact O-N 3.28Å; A463-S467 PolarHBondContact O-OG 3Å
464	V	67.2	Low	63.8	Low	82 Å²	82	117.8 Å²	117.8	50%	0.497	64%	0.643	S	S	.	*	H	α-helix	trans	-66.5	-37.9	-177	-176.3	0	0	0	0	111.3	L461 P462 S467 L468	L461-V464 PolarHBondContact O-N 3.07Å; P462-V464 VanDerWaalsContact C-N 3.3Å; P462-V464 PolarHBondContact O-N 3.43Å; V464-S467 PolarHBondContact O-N 3.35Å; V464-L468 HydrophobicContact CG1-CD1 4.23Å; V464-L468 WeakPolarHBondContact O-CG 3.34Å; V464-L468 PolarHBondContact O-N 3Å
465	V	71.7	Confident	66.8	Low	77 Å²	77	115.8 Å²	115.8	47%	0.467	63%	0.625	S	S	.	*	H	α-helix	trans	-66.7	-42	177.3	-176.4	0	0	0	0	110.6	P462 A463 L468 L469	P462-V465 PolarHBondContact O-N 3.28Å; A463-V465 VanDerWaalsContact C-N 3.34Å; A463-V465 PolarHBondContact O-N 3.32Å; V465-L468 PolarHBondContact O-N 3.06Å; V465-L469 HydrophobicContact CG1-CD1 4.08Å; V465-L469 WeakPolarHBondContact O-CG 3.4Å; V465-L469 PolarHBondContact O-N 3.42Å
466	V	76.7	Confident	69.2	Low	83 Å²	83	111 Å²	111	50%	0.503	61%	0.609	S	S	.	*	H	α-helix	trans	-63.2	-42	176.2	175.6	0	0	0	0	111.5	P462 A463 L469 L470	P462-V466 PolarHBondContact O-N 3.23Å; A463-V466 PolarHBondContact O-N 3.21Å; V466-L469 PolarHBondContact O-N 3.4Å; V466-L470 HydrophobicContact CG1-CD1 4.17Å; V466-L470 PolarHBondContact O-N 3.33Å
467	S	77	Confident	72	Confident	67 Å²	67	105.4 Å²	105.4	47%	0.469	59%	0.591	S	S	.	*	H	α-helix	trans	-61.6	-44.1	175	-61.2	0	0	0	0	112.7	A463 V464 L470 I471	A463-S467 PolarHBondContact O-N 3.28Å; A463-S467 PolarHBondContact O-OG 3Å; V464-S467 PolarHBondContact O-N 3.35Å; S467-L470 PolarHBondContact O-N 3.37Å; S467-I471 WeakPolarHBondContact O-CG1 3.43Å; S467-I471 PolarHBondContact O-N 3.08Å; S467-I471 VanDerWaalsContact O-N 3.08Å
468	L	80.5	Confident	74.7	Confident	112 Å²	112	104.1 Å²	104.1	59%	0.586	58%	0.583	S	S	*	*	H	α-helix	trans	-64.8	-40.1	178.2	-73.1	167.6	0	0	0	112.3	V464 V465 I471 L472	V464-L468 HydrophobicContact CG1-CD1 4.23Å; V464-L468 WeakPolarHBondContact O-CG 3.34Å; V464-L468 PolarHBondContact O-N 3Å; V465-L468 PolarHBondContact O-N 3.06Å; L468-I471 PolarHBondContact O-N 3.42Å; L468-L472 PolarHBondContact O-N 3.04Å
469	L	83.8	Confident	76.9	Confident	107 Å²	107	100.8 Å²	100.8	56%	0.56	57%	0.565	S	S	*	*	H	α-helix	trans	-65.3	-39.8	175.8	-71.4	169.9	0	0	0	112.2	V465 V466 L472 L473	V465-L469 HydrophobicContact CG1-CD1 4.08Å; V465-L469 WeakPolarHBondContact O-CG 3.4Å; V465-L469 PolarHBondContact O-N 3.42Å; V466-L469 PolarHBondContact O-N 3.4Å; L469-L472 PolarHBondContact O-N 3.06Å; L469-L473 WeakPolarHBondContact O-CB 3.38Å; L469-L473 PolarHBondContact O-N 3.33Å
470	L	86.6	Confident	79.1	Confident	105 Å²	105	97.9 Å²	97.9	55%	0.55	55%	0.551	S	S	.	*	H	α-helix	trans	-62.7	-42.3	174.6	-86	163.6	0	0	0	112.6	V466 S467 L473 L474	V466-L470 HydrophobicContact CG1-CD1 4.17Å; V466-L470 PolarHBondContact O-N 3.33Å; S467-L470 PolarHBondContact O-N 3.37Å; L470-L473 PolarHBondContact O-N 3.02Å; L470-L474 WeakPolarHBondContact O-CG 3.37Å; L470-L474 PolarHBondContact O-N 3.06Å
471	I	87.6	Confident	80.7	Confident	102 Å²	102	95.8 Å²	95.8	52%	0.523	54%	0.544	S	S	.	.	H	α-helix	trans	-61.9	-44.9	175.7	-68.1	163.5	0	0	0	110.5	S467 L468 L473 L474 V475	S467-I471 WeakPolarHBondContact O-CG1 3.43Å; S467-I471 PolarHBondContact O-N 3.08Å; S467-I471 VanDerWaalsContact O-N 3.08Å; L468-I471 PolarHBondContact O-N 3.42Å; I471-L473 VanDerWaalsContact C-N 3.31Å; I471-L473 PolarHBondContact O-N 3.4Å; I471-L474 PolarHBondContact O-N 3.34Å; I471-V475 WeakPolarHBondContact O-CG2 3.33Å; I471-V475 PolarHBondContact O-N 2.94Å
472	L	87.4	Confident	82.2	Confident	107 Å²	107	95.2 Å²	95.2	56%	0.56	54%	0.537	S	S	*	.	H	α-helix	trans	-60.7	-41.2	178.1	-158.3	78	0	0	0	111.9	L468 L469 V475 I476	L468-L472 PolarHBondContact O-N 3.04Å; L469-L472 PolarHBondContact O-N 3.06Å; L472-V475 PolarHBondContact O-N 3.23Å; L472-I476 WeakPolarHBondContact O-CG1 3.33Å; L472-I476 PolarHBondContact O-N 3.48Å
473	L	89.6	Confident	83.4	Confident	110 Å²	110	96.9 Å²	96.9	58%	0.576	54%	0.538	S	S	*	.	H	α-helix	trans	-67.8	-39.7	-180	-149.8	157.4	0	0	0	111.6	L469 L470 I471 I476 V477	L469-L473 WeakPolarHBondContact O-CB 3.38Å; L469-L473 PolarHBondContact O-N 3.33Å; L470-L473 PolarHBondContact O-N 3.02Å; I471-L473 VanDerWaalsContact C-N 3.31Å; I471-L473 PolarHBondContact O-N 3.4Å; L473-I476 PolarHBondContact O-N 2.93Å; L473-V477 HydrophobicContact CD2-CG2 4.25Å; L473-V477 WeakPolarHBondContact O-CG2 3.4Å; L473-V477 PolarHBondContact O-N 3.34Å
474	L	90	Very high	84.1	Confident	119 Å²	119	98.1 Å²	98.1	62%	0.623	54%	0.541	S	S	*	.	H	α-helix	trans	-62.2	-41.3	172.5	-73.6	168.8	0	0	0	112.5	L470 I471 V477 F478	L470-L474 WeakPolarHBondContact O-CG 3.37Å; L470-L474 PolarHBondContact O-N 3.06Å; I471-L474 PolarHBondContact O-N 3.34Å; L474-V477 PolarHBondContact O-N 3.35Å; L474-F478 WeakPolarHBondContact O-CB 3.35Å; L474-F478 PolarHBondContact O-N 2.93Å
475	V	90.6	Very high	84.6	Confident	78 Å²	78	101 Å²	101	47%	0.473	54%	0.544	S	S	.	.	H	α-helix	trans	-62.9	-42.3	175.8	170.9	0	0	0	0	111.2	I471 L472 F478 L479	I471-V475 WeakPolarHBondContact O-CG2 3.33Å; I471-V475 PolarHBondContact O-N 2.94Å; L472-V475 PolarHBondContact O-N 3.23Å; V475-F478 PolarHBondContact O-N 2.91Å; V475-L479 HydrophobicContact CG1-CD1 3.94Å; V475-L479 HydrophobicContact CG1-CG 4.43Å; V475-L479 WeakPolarHBondContact O-CB 3.47Å; V475-L479 WeakPolarHBondContact O-CG 3.48Å; V475-L479 PolarHBondContact O-N 3.35Å
476	I	91.4	Very high	84.6	Confident	110 Å²	110	101.4 Å²	101.4	56%	0.564	54%	0.541	S	S	*	.	H	α-helix	trans	-62.6	-43.1	176.6	-68.2	164	0	0	0	111.2	L472 L473 L479 G480	L472-I476 WeakPolarHBondContact O-CG1 3.33Å; L472-I476 PolarHBondContact O-N 3.48Å; L473-I476 PolarHBondContact O-N 2.93Å; I476-L479 PolarHBondContact O-N 3.38Å; I476-G480 PolarHBondContact O-N 2.96Å
477	V	91.6	Very high	84.3	Confident	83 Å²	83	104.5 Å²	104.5	50%	0.503	55%	0.548	S	S	.	.	H	α-helix	trans	-62.4	-44	175.2	171.3	0	0	0	0	111.2	L473 L474 G480 V481	L473-V477 HydrophobicContact CD2-CG2 4.25Å; L473-V477 WeakPolarHBondContact O-CG2 3.4Å; L473-V477 PolarHBondContact O-N 3.34Å; L474-V477 PolarHBondContact O-N 3.35Å; V477-G480 PolarHBondContact O-N 3.48Å; V477-V481 WeakPolarHBondContact O-CG2 3.41Å; V477-V481 PolarHBondContact O-N 3.29Å
478	F	91	Very high	83.7	Confident	154 Å²	154	106.6 Å²	106.6	68%	0.675	55%	0.554	S	S	*	*	H	α-helix	trans	-64.2	-42.7	179.6	-160.9	-89.1	0	0	0	112.2	L474 V475 V481 F482	L474-F478 WeakPolarHBondContact O-CB 3.35Å; L474-F478 PolarHBondContact O-N 2.93Å; V475-F478 PolarHBondContact O-N 2.91Å; F478-V481 PolarHBondContact O-N 3.23Å; F478-F482 WeakPolarHBondContact O-CB 3.43Å; F478-F482 PolarHBondContact O-N 3.44Å
479	L	89.7	Confident	82.9	Confident	97 Å²	97	106.1 Å²	106.1	51%	0.508	55%	0.547	S	S	.	.	H	α-helix	trans	-62.1	-41.3	172.8	-72	169.5	0	0	0	111.9	V475 I476 F482 M483	V475-L479 HydrophobicContact CG1-CD1 3.94Å; V475-L479 HydrophobicContact CG1-CG 4.43Å; V475-L479 WeakPolarHBondContact O-CB 3.47Å; V475-L479 WeakPolarHBondContact O-CG 3.48Å; V475-L479 PolarHBondContact O-N 3.35Å; I476-L479 PolarHBondContact O-N 3.38Å; L479-F482 PolarHBondContact O-N 2.86Å; L479-M483 WeakPolarHBondContact O-CB 3.42Å; L479-M483 WeakPolarHBondContact O-CG 3.46Å; L479-M483 PolarHBondContact O-N 2.9Å
480	G	87.9	Confident	81.4	Confident	41 Å²	41	110.7 Å²	110.7	42%	0.423	56%	0.557	S	S	.	*	H	α-helix	trans	-60.3	-46.7	174.9	0	0	0	0	0	112.8	I476 V477 M483 C484	I476-G480 PolarHBondContact O-N 2.96Å; V477-G480 PolarHBondContact O-N 3.48Å; G480-M483 PolarHBondContact O-N 2.94Å; G480-C484 WeakPolarHBondContact O-CB 3.33Å; G480-C484 PolarHBondContact O-N 3.18Å
481	V	86.9	Confident	79.5	Confident	95 Å²	95	111.1 Å²	111.1	58%	0.576	56%	0.56	S	S	*	*	H	α-helix	trans	-62.4	-44.7	175.2	172.2	0	0	0	0	111.1	V477 F478 C484 W485	V477-V481 WeakPolarHBondContact O-CG2 3.41Å; V477-V481 PolarHBondContact O-N 3.29Å; F478-V481 PolarHBondContact O-N 3.23Å; V481-C484 PolarHBondContact O-N 3.39Å; V481-W485 WeakPolarHBondContact O-CB 3.33Å; V481-W485 PolarHBondContact O-N 3.29Å
482	F	85.1	Confident	77.6	Confident	106 Å²	106	113.6 Å²	113.6	47%	0.465	57%	0.569	S	S	.	*	H	α-helix	trans	-62.3	-43.4	177.6	-178.1	-101.4	0	0	0	112.5	F478 L479 C484 W485 M486	F478-F482 WeakPolarHBondContact O-CB 3.43Å; F478-F482 PolarHBondContact O-N 3.44Å; L479-F482 PolarHBondContact O-N 2.86Å; F482-C484 VanDerWaalsContact C-N 3.34Å; F482-C484 PolarHBondContact O-N 3.38Å; F482-W485 HydrophobicContact CD2-CE3 4.32Å; F482-W485 HydrophobicContact CE2-CE3 4.22Å; F482-W485 HydrophobicContact CE2-CZ3 4.19Å; F482-W485 PolarHBondContact O-N 3.42Å; F482-M486 HydrophobicContact CD1-CG 4.28Å; F482-M486 HydrophobicContact CE1-CG 3.89Å; F482-M486 HydrophobicContact CE2-CG 4.34Å; F482-M486 HydrophobicContact CZ-CG 3.92Å; F482-M486 HydrophobicContact CZ-SD 4.33Å; F482-M486 WeakPolarHBondContact O-CB 3.43Å; F482-M486 WeakPolarHBondContact O-CG 3.44Å; F482-M486 PolarHBondContact O-N 3.22Å
483	M	81.5	Confident	75.7	Confident	137 Å²	137	115.4 Å²	115.4	68%	0.675	58%	0.578	S	S	*	*	H	α-helix	trans	-63.4	-38.7	174.2	-74.5	-179.1	68.8	0	0	112.2	L479 G480 K487	L479-M483 WeakPolarHBondContact O-CB 3.42Å; L479-M483 WeakPolarHBondContact O-CG 3.46Å; L479-M483 PolarHBondContact O-N 2.9Å; G480-M483 PolarHBondContact O-N 2.94Å; M483-K487 WeakPolarHBondContact O-CB 3.42Å; M483-K487 PolarHBondContact O-N 3.23Å
484	C	72.9	Confident	73.2	Confident	88 Å²	88	119 Å²	119	60%	0.595	59%	0.589	S	S	*	*	H	α-helix	trans	-67.2	-42.3	177	-140.8	0	0	0	0	111.5	G480 V481 F482 K487 N488	G480-C484 WeakPolarHBondContact O-CB 3.33Å; G480-C484 PolarHBondContact O-N 3.18Å; V481-C484 PolarHBondContact O-N 3.39Å; F482-C484 VanDerWaalsContact C-N 3.34Å; F482-C484 PolarHBondContact O-N 3.38Å; C484-K487 PolarHBondContact O-N 2.89Å; C484-N488 PolarHBondContact O-N 2.98Å
485	W	78.2	Confident	70.4	Confident	144 Å²	144	122 Å²	122	55%	0.545	60%	0.602	S	S	.	*	H	α-helix	trans	-61.6	-47.6	173.9	-177.1	74.4	0	0	0	112.1	V481 F482 K487 N488 K489	V481-W485 WeakPolarHBondContact O-CB 3.33Å; V481-W485 PolarHBondContact O-N 3.29Å; F482-W485 HydrophobicContact CD2-CE3 4.32Å; F482-W485 HydrophobicContact CE2-CE3 4.22Å; F482-W485 HydrophobicContact CE2-CZ3 4.19Å; F482-W485 PolarHBondContact O-N 3.42Å; W485-K487 VanDerWaalsContact C-N 3.3Å; W485-K487 PolarHBondContact O-N 2.92Å; W485-N488 PolarHBondContact O-N 3.17Å; W485-K489 HydrophobicContact CH2-CD 4.3Å; W485-K489 HydrophobicContact CZ2-CD 4.26Å; W485-K489 PolarHBondContact O-N 2.93Å
486	M	71.3	Confident	67.6	Low	84 Å²	84	126.8 Å²	126.8	41%	0.414	62%	0.619	S	S	.	*	H	α-helix	trans	-60.8	-36.6	174.8	-77.7	-69	-74.1	0	0	112.8	F482 R490	F482-M486 HydrophobicContact CD1-CG 4.28Å; F482-M486 HydrophobicContact CE1-CG 3.89Å; F482-M486 HydrophobicContact CE2-CG 4.34Å; F482-M486 HydrophobicContact CZ-CG 3.92Å; F482-M486 HydrophobicContact CZ-SD 4.33Å; F482-M486 WeakPolarHBondContact O-CB 3.43Å; F482-M486 WeakPolarHBondContact O-CG 3.44Å; F482-M486 PolarHBondContact O-N 3.22Å; M486-R490 PolarHBondContact O-N 3.14Å; M486-R490 VanDerWaalsContact O-N 3.17Å
487	K	69.7	Low	65	Low	149 Å²	149	127.6 Å²	127.6	65%	0.648	63%	0.631	S	S	*	*	H	α-helix	trans	-66.9	-40.6	174.9	-171.4	177	-179.3	-178.3	0	111.6	M483 C484 W485 R490	M483-K487 WeakPolarHBondContact O-CB 3.42Å; M483-K487 PolarHBondContact O-N 3.23Å; C484-K487 PolarHBondContact O-N 2.89Å; W485-K487 VanDerWaalsContact C-N 3.3Å; W485-K487 PolarHBondContact O-N 2.92Å; K487-R490 PolarHBondContact O-N 3.02Å
488	N	64.7	Low	62.1	Low	110 Å²	110	135.6 Å²	135.6	59%	0.588	65%	0.652	S	S	*	*	H	α-helix	trans	-65.3	-44.8	175.6	-128.6	34.5	0	0	0	111.3	C484 W485 R490 N491	C484-N488 PolarHBondContact O-N 2.98Å; W485-N488 PolarHBondContact O-N 3.17Å; N488-R490 PolarHBondContact O-N 3.01Å; N488-N491 WeakPolarHBondContact O-CB 3.42Å; N488-N491 PolarHBondContact O-N 3.35Å
489	K	62.9	Low	59.2	Low	102 Å²	102	133.8 Å²	133.8	44%	0.443	66%	0.659	S	S	.	*	H	α-helix	trans	-62.4	-26.7	179	-142.4	175.5	-172.7	-179.9	0	113.4	W485 N491	W485-K489 HydrophobicContact CH2-CD 4.3Å; W485-K489 HydrophobicContact CZ2-CD 4.26Å; W485-K489 PolarHBondContact O-N 2.93Å; K489-N491 VanDerWaalsContact C-N 3.35Å
490	R	52.7	Low	56.7	Low	203 Å²	203	136.1 Å²	136.1	77%	0.766	68%	0.677	S	S	*	*	H	α-helix	trans	-74.3	-17.5	171.8	-90.6	-175.5	171.2	168.3	-1.3	114.6	M486 K487 N488	M486-R490 PolarHBondContact O-N 3.14Å; M486-R490 VanDerWaalsContact O-N 3.17Å; K487-R490 PolarHBondContact O-N 3.02Å; N488-R490 PolarHBondContact O-N 3.01Å
491	N	46.3	Very low	53.9	Low	115 Å²	115	137.7 Å²	137.7	62%	0.615	69%	0.694	S	S	*	*	H	α-helix	trans	-84.6	-26	178	-68.7	-18.9	0	0	0	112.7	N488 K489	N488-N491 WeakPolarHBondContact O-CB 3.42Å; N488-N491 PolarHBondContact O-N 3.35Å; K489-N491 VanDerWaalsContact C-N 3.35Å
492	E	47.3	Very low	51.2	Low	154 Å²	154	136.6 Å²	136.6	72%	0.72	70%	0.701	S	S	*	*	H	α-helix	trans	-77.4	-28.8	178.6	-64.7	-177.5	140.2	0	0	112.7	K494	E492-K494 VanDerWaalsContact C-N 3.28Å; E492-K494 PolarHBondContact O-N 3.03Å; E492-K494 VanDerWaalsContact O-N 3.14Å
493	I	48.2	Very low	48.7	Very low	145 Å²	145	138.2 Å²	138.2	74%	0.744	72%	0.719	S	S	*	*	S	Bend	trans	-92	55.3	-178.1	-44.2	178.3	0	0	0	110.7
494	K	36.5	Very low	46.3	Very low	184 Å²	184	139.9 Å²	139.9	80%	0.8	73%	0.73	S	S	*	*			trans	-145.2	60.8	176.6	-148.1	177	-173.5	-176.4	0	114	E492	E492-K494 VanDerWaalsContact C-N 3.28Å; E492-K494 PolarHBondContact O-N 3.03Å; E492-K494 VanDerWaalsContact O-N 3.14Å
495	M	31.4	Very low	44.3	Very low	183 Å²	183	139.4 Å²	139.4	90%	0.901	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-89.5	161.4	160.9	-66.4	-162.2	76.2	0	0	111.4
496	E	33.4	Very low	42.1	Very low	179 Å²	179	142.2 Å²	142.2	84%	0.836	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-79.4	150.8	-153.2	-59.1	-176.8	126.6	0	0	116.7
497	P	35	Very low	40.3	Very low	126 Å²	126	145.7 Å²	145.7	82%	0.818	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-72.4	127.6	163.1	31.7	-32.9	0	0	0	110.5	S499	P497-S499 PolarHBondContact O-N 2.93Å
498	R	30.7	Very low	38.4	Very low	251 Å²	251	150.2 Å²	150.2	95%	0.947	79%	0.788	S	S	*	*			trans	-80.3	114.9	174.7	-78.9	-172.7	170.4	178.7	-1.5	111.3
499	S	30.5	Very low	36.7	Very low	117 Å²	117	148.8 Å²	148.8	82%	0.818	80%	0.799	S	S	*	*			trans	-68.5	150.7	173.2	-169.6	0	0	0	0	112.5	P497	P497-S499 PolarHBondContact O-N 2.93Å
500	V	38.1	Very low	35.3	Very low	145 Å²	145	154.1 Å²	154.1	88%	0.879	82%	0.822	S	S	*	*			trans	-71.1	146.3	158.4	178.3	0	0	0	0	109.1
501	G	29.8	Very low	34.1	Very low	75 Å²	75	155.7 Å²	155.7	77%	0.773	83%	0.828	S	S	*	*			trans	155.3	148	178.6	0	0	0	0	0	110.7
502	G	29.3	Very low	33.4	Very low	71 Å²	71	160.3 Å²	160.3	73%	0.732	84%	0.843	S	S	*	*			trans	-152.3	-160.7	-177	0	0	0	0	0	113.8
503	V	32.5	Very low	32.5	Very low	140 Å²	140	162.5 Å²	162.5	85%	0.848	85%	0.85	S	S	*	*			trans	81.1	126.4	171	-173	0	0	0	0	116.9
504	L	32	Very low	31.6	Very low	172 Å²	172	165.4 Å²	165.4	90%	0.901	86%	0.857	S	S	*	*			trans	62.1	140	166.6	-98.7	70.5	0	0	0	120.6
505	G	29.7	Very low	31.3	Very low	79 Å²	79	165.9 Å²	165.9	81%	0.814	86%	0.86	S	S	*	*			trans	158.3	83.5	169.4	0	0	0	0	0	115
506	K	33	Very low	31.3	Very low	202 Å²	202	165.1 Å²	165.1	88%	0.878	85%	0.851	S	S	*	*			trans	-83.6	144.7	171	-65.6	172.7	179.8	169	0	110.3
507	I	32.6	Very low	31	Very low	157 Å²	157	161 Å²	161	81%	0.805	84%	0.838	S	S	*	*				173.6	135.3	117	-88.5	157.5	0	0	0	114.3
508	R	30.3	Very low	30.9	Very low	244 Å²	244	163.8 Å²	163.8	92%	0.921	84%	0.838	S	S	*	*			trans	2.7	134.3	159.6	-60.6	163.2	143.6	162.8	-8.7	121.3
509	G	29.4	Very low	30.8	Very low	80 Å²	80	158.4 Å²	158.4	83%	0.825	83%	0.827	S	S	*	*			trans	-156.2	36.3	173.4	0	0	0	0	0	120.1
510	K	32	Very low	30.7	Very low	214 Å²	214	159.4 Å²	159.4	93%	0.93	82%	0.823	S	S	*	*			trans	35.5	99	165.8	-70.6	-177.5	178.8	174.6	0	121.6
511	R	28.9	Very low	30.3	Very low	236 Å²	236	162.3 Å²	162.3	89%	0.891	83%	0.825	S	S	*	*			trans	-4.3	138.8	146.2	-62.2	171.5	170.6	167.5	-3.9	121
512	K	30.3	Very low	30.1	Very low	212 Å²	212	162.2 Å²	162.2	92%	0.922	82%	0.824	S	S	*	*				-160.8	99.7	125.5	-103.5	176.1	-176.7	179.1	0	109.9
513	K	29.3	Very low	30	Very low	200 Å²	200	165 Å²	165	87%	0.87	83%	0.83	S	S	*	*				85	92.3	75.7	-112.8	-167.6	178.7	-173.6	0	117.6
514	K	29.8	Very low	29.9	Very low	206 Å²	206	164.2 Å²	164.2	90%	0.896	83%	0.826	S	S	*	*			trans	-161.6	149.6	149.8	-89.5	-169.9	-178.6	-178.5	0	105.4
515	K	29.2	Very low	29.8	Very low	195 Å²	195	162 Å²	162	85%	0.848	82%	0.82	S	S	*	*			cis	61.6	140.1	-5.6	-70	-162.3	174.2	-168.8	0	118
516	K	30.8	Very low	29.6	Very low	166 Å²	166	163.8 Å²	163.8	72%	0.722	82%	0.818	S	S	*	*			cis	-151.3	151.6	10.8	-147.5	-151.1	160.5	-112.3	0	107.8
517	T	28.6	Very low	29.3	Very low	93 Å²	93	165.4 Å²	165.4	57%	0.571	82%	0.819	S	S	*	*			cis	-156.9	166.3	0.6	-12.1	0	0	0	0	109.8
518	F	32.5	Very low	29.4	Very low	184 Å²	184	163.4 Å²	163.4	81%	0.807	82%	0.816	S	S	*	*			trans	-87.1	160.3	145	-103.9	-100.3	0	0	0	110.5
519	L	28.1	Very low	29.2	Very low	139 Å²	139	158.9 Å²	158.9	73%	0.728	82%	0.815	S	S	*	*			trans	-150.9	135.7	155.1	-140	89.4	0	0	0	110.4	F521	L519-F521 HydrophobicContact CD2-CD2 4.41Å
520	N	29.4	Very low	29.1	Very low	137 Å²	137	161.5 Å²	161.5	73%	0.733	82%	0.815	S	S	*	*			trans	-114.5	134.4	172.7	-83.2	-0.9	0	0	0	109.8
521	F	28.4	Very low	29.1	Very low	207 Å²	207	158 Å²	158	91%	0.908	81%	0.805	S	S	*	*			trans	-165.3	154.2	155.7	-81	-71.1	0	0	0	105.9	L519	L519-F521 HydrophobicContact CD2-CD2 4.41Å
522	G	26.1	Very low	29.1	Very low	73 Å²	73	153.4 Å²	153.4	75%	0.753	80%	0.803	S	S	*	*			cis	-175.9	162	-3.6	0	0	0	0	0	108.6
523	C	26.6	Very low	29.2	Very low	128 Å²	128	150.2 Å²	150.2	87%	0.865	80%	0.797	S	S	*	*			trans	-86.1	156.5	-179.3	-173.8	0	0	0	0	112.2
524	V	30.8	Very low	29.2	Very low	124 Å²	124	150.9 Å²	150.9	75%	0.752	80%	0.8	S	S	*	*			trans	177.9	117.5	143.1	141.3	0	0	0	0	115.6
525	T	29.1	Very low	29.3	Very low	127 Å²	127	145.9 Å²	145.9	78%	0.779	80%	0.797	S	S	*	*			trans	63.7	175.5	149	67	0	0	0	0	123.3
526	C	25.9	Very low	29.3	Very low	116 Å²	116	140.3 Å²	140.3	78%	0.784	80%	0.795	S	S	*	*			trans	-141.5	168.6	-153.4	-48.6	0	0	0	0	114.8
527	R	26.4	Very low	29.3	Very low	236 Å²	236	144.1 Å²	144.1	89%	0.891	81%	0.805	S	S	*	*			trans	71.5	165.3	162.9	-66.4	-174.3	172.7	-170.3	-1.7	117.1
528	P	34.6	Very low	29.2	Very low	114 Å²	114	147.5 Å²	147.5	74%	0.74	82%	0.819	S	S	*	*			cis	-136.1	162.8	-49.5	39	-24.3	0	0	0	113.3
529	V	27.5	Very low	29.6	Very low	150 Å²	150	146 Å²	146	91%	0.909	82%	0.818	S	S	*	*			trans	-139.3	151.7	167.5	-176.8	0	0	0	0	111.3
530	T	27.4	Very low	30.5	Very low	135 Å²	135	149.4 Å²	149.4	83%	0.828	84%	0.843	S	S	*	*			trans	-89.2	159.7	-161.5	-41.2	0	0	0	0	115.3
531	I	32.3	Very low	30.6	Very low	140 Å²	140	150 Å²	150	72%	0.718	85%	0.849	S	S	*	*			trans	-67.1	147.8	173.1	-60.7	158.5	0	0	0	112.4
532	T	29.1	Very low	30.7	Very low	139 Å²	139	147 Å²	147	85%	0.853	85%	0.846	S	S	*	*			trans	-131.1	148.6	148.8	44.5	0	0	0	0	111.1
533	N	32.3	Very low	31	Very low	145 Å²	145	151.1 Å²	151.1	78%	0.775	85%	0.851	S	S	*	*			trans	-78.7	151.9	-174.5	-60.5	-39.2	0	0	0	112.7
534	F	27.9	Very low	31.2	Very low	214 Å²	214	152.5 Å²	152.5	94%	0.939	85%	0.85	S	S	*	*			trans	-146.3	138.9	138.5	-117.1	-79.7	0	0	0	110.8
535	A	32.7	Very low	31.3	Very low	101 Å²	101	154.3 Å²	154.3	84%	0.835	86%	0.856	S	S	*	*			trans	-103.6	141.9	179.6	0	0	0	0	0	110.9
536	G	29.7	Very low	31.4	Very low	78 Å²	78	156.1 Å²	156.1	80%	0.804	86%	0.861	S	S	*	*			trans	-136.1	132.4	173.9	0	0	0	0	0	109.9
537	R	29.1	Very low	31.8	Very low	246 Å²	246	158.9 Å²	158.9	93%	0.928	87%	0.867	S	S	*	*			trans	-73.6	137	-178	-78.3	176	167	159.9	-7	111.3
538	L	27.9	Very low	32.2	Very low	165 Å²	165	153 Å²	153	86%	0.864	87%	0.865	S	S	*	*			trans	-71.1	147.8	152	-131.4	73	0	0	0	109.1
539	I	40.8	Very low	32	Very low	153 Å²	153	156.3 Å²	156.3	79%	0.785	88%	0.875	S	S	*	*			trans	-116.9	143.5	160.1	-63.7	179.5	0	0	0	105.8
540	V	47.8	Very low	32.4	Very low	209 Å²	209	156.8 Å²	156.8	100%	1.267	87%	0.872	S	S	*	*			trans	-75.1	0	-177	-174.7	0	0	0	0	110.7

Retrieved 540 of 540 residues in 522.4 ms (Link to these results)

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