A0A087Y0C3_POEFO Loading...

DNA oxidative demethylase ALKBH2

AlphaFold DB , UniProt , Accession A0A087Y0C3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 244 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	41.7	Very low	34.7	Very low	247 Å²	247	184.9 Å²	184.9	100%	1.217	90%	0.897	S	S	*	*				0	90.3	0	-149.7	162	173.7	0	0	105.6
2	I	35.4	Very low	35.1	Very low	163 Å²	163	185.4 Å²	185.4	84%	0.836	90%	0.897	S	S	*	*	P	Polyproline II helix	trans	-97.2	127.2	-164.9	-63.7	170.6	0	0	0	107.1
3	K	32.4	Very low	35.2	Very low	202 Å²	202	186.1 Å²	186.1	88%	0.878	90%	0.897	S	S	*	*	P	Polyproline II helix	trans	-66.8	128.9	173.2	-82.3	179.7	168.5	-175.4	0	109
4	M	33.5	Very low	35.7	Very low	180 Å²	180	187.1 Å²	187.1	89%	0.887	90%	0.895	S	S	*	*	P	Polyproline II helix	trans	-97.9	122.6	163.4	-76	176.1	47.2	0	0	107.5
5	E	35.3	Very low	35.8	Very low	190 Å²	190	182.7 Å²	182.7	89%	0.888	88%	0.879	S	S	*	*	P	Polyproline II helix	trans	-78.8	128.7	167.1	-73.9	170	157.8	0	0	108
6	E	35.9	Very low	36	Very low	192 Å²	192	179.1 Å²	179.1	90%	0.897	88%	0.875	S	S	*	*	P	Polyproline II helix	trans	-78.6	117.8	170.4	-73.7	175.8	165.9	0	0	108.1	E8	E6-E8 PolarHBondContact O-N 3.48Å
7	H	33.6	Very low	36.2	Very low	178 Å²	178	172.8 Å²	172.8	82%	0.824	85%	0.853	S	S	*	*			trans	-83.6	104.8	173.5	-132.5	-81.6	0	0	0	106.9	C9	H7-C9 PolarHBondContact O-N 3.38Å
8	E	34	Very low	36.5	Very low	184 Å²	184	173.8 Å²	173.8	86%	0.86	85%	0.852	S	S	*	*			trans	-70.3	118.5	168.1	-73	178.6	162.9	0	0	108	E6	E6-E8 PolarHBondContact O-N 3.48Å
9	C	27.7	Very low	36.8	Very low	121 Å²	121	174.2 Å²	174.2	82%	0.818	85%	0.852	S	S	*	*			trans	-80.4	115.4	171	-74.8	0	0	0	0	108.3	H7	H7-C9 PolarHBondContact O-N 3.38Å
10	E	33.7	Very low	37.4	Very low	187 Å²	187	174.6 Å²	174.6	87%	0.874	85%	0.852	S	S	*	*			trans	-56.5	131	174.2	-65	172.7	160.9	0	0	110.6	E12	E10-E12 PolarHBondContact O-N 3.23Å
11	E	38	Very low	37.9	Very low	190 Å²	190	171.5 Å²	171.5	89%	0.888	83%	0.834	S	S	*	*			trans	-66.1	117	169.4	-68.7	-179.3	160.1	0	0	108.5	E13	E11-E13 PolarHBondContact O-N 3.07Å
12	E	39.9	Very low	38.1	Very low	191 Å²	191	164.4 Å²	164.4	89%	0.893	81%	0.809	S	S	*	*			trans	-61.1	110.7	172.8	-74.7	-178.5	165.7	0	0	109.7	E10 K14	E10-E12 PolarHBondContact O-N 3.23Å; E12-K14 PolarHBondContact O-N 3.33Å
13	E	36.9	Very low	39	Very low	194 Å²	194	163.4 Å²	163.4	91%	0.907	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-57.6	118.5	169.3	-73.6	-169.5	155.7	0	0	109.7	E11 D15	E11-E13 PolarHBondContact O-N 3.07Å; E13-D15 PolarHBondContact O-N 3.27Å
14	K	41.1	Very low	41	Very low	200 Å²	200	159.7 Å²	159.7	87%	0.87	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-66	124.2	169.4	-76.4	-177.6	174.8	-179	0	109.8	E12	E12-K14 PolarHBondContact O-N 3.33Å
15	D	38.2	Very low	43.3	Very low	122 Å²	122	152.7 Å²	152.7	65%	0.652	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-52.3	124.7	170.3	-176	-21	0	0	0	110.9	E13 S17	E13-D15 PolarHBondContact O-N 3.27Å; D15-S17 VanDerWaalsContact C-N 3.28Å; D15-S17 PolarHBondContact O-N 3.38Å; D15-S17 WeakPolarHBondContact OD1-CB 3.35Å; D15-S17 PolarHBondContact OD1-N 2.74Å; D15-S17 VanDerWaalsContact OD1-N 3.13Å; D15-S17 PolarHBondContact OD1-OG 3.13Å; D15-S17 PolarHBondContact OD2-OG 3.49Å
16	P	38	Very low	45.9	Very low	125 Å²	125	149 Å²	149	81%	0.812	76%	0.755	S	S	*	*	S	Bend	trans	-84.2	15.7	-173.4	34.8	-35.3	0	0	0	114.4
17	S	39.5	Very low	48.8	Very low	72 Å²	72	144.5 Å²	144.5	50%	0.503	73%	0.73	S	S	.	*			trans	-95.4	13.4	-169.4	62.5	0	0	0	0	117.6	D15	D15-S17 VanDerWaalsContact C-N 3.28Å; D15-S17 PolarHBondContact O-N 3.38Å; D15-S17 WeakPolarHBondContact OD1-CB 3.35Å; D15-S17 PolarHBondContact OD1-N 2.74Å; D15-S17 VanDerWaalsContact OD1-N 3.13Å; D15-S17 PolarHBondContact OD1-OG 3.13Å; D15-S17 PolarHBondContact OD2-OG 3.49Å
18	F	42.5	Very low	51.9	Low	190 Å²	190	141.1 Å²	141.1	83%	0.833	71%	0.714	S	S	*	*			trans	-133.7	81.5	173	-77.1	-90.9	0	0	0	110.8	E20	F18-E20 VanDerWaalsContact C-N 3.34Å; F18-E20 PolarHBondContact O-N 3Å
19	E	41.2	Very low	54.9	Low	182 Å²	182	136.5 Å²	136.5	85%	0.85	69%	0.692	S	S	*	*			trans	-66.5	101.7	158.4	-77.1	-169.3	170.4	0	0	108.1	F21	E19-F21 PolarHBondContact O-N 2.75Å
20	E	50	Low	58.3	Low	181 Å²	181	131.5 Å²	131.5	85%	0.846	66%	0.656	S	S	*	*			trans	-40.9	124.3	161.1	-136.6	170.5	-168.9	0	0	108.6	F18 S22	F18-E20 VanDerWaalsContact C-N 3.34Å; F18-E20 PolarHBondContact O-N 3Å; E20-S22 PolarHBondContact O-N 3.28Å
21	F	47.5	Very low	61.3	Low	111 Å²	111	129 Å²	129	49%	0.487	64%	0.644	S	S	.	*			trans	-49.8	99.5	-177.8	-67.7	-85.8	0	0	0	110.3	E19 H23	E19-F21 PolarHBondContact O-N 2.75Å; F21-H23 PolarHBondContact O-N 3.02Å
22	S	46	Very low	64.1	Low	97 Å²	97	121.9 Å²	121.9	68%	0.678	62%	0.619	S	S	*	*			trans	-72.3	-2	-166.4	55.2	0	0	0	0	114	E20	E20-S22 PolarHBondContact O-N 3.28Å
23	H	54.7	Low	66.8	Low	143 Å²	143	118 Å²	118	66%	0.662	60%	0.6	S	S	*	*	S	Bend	trans	-142.3	140.4	-178	-63	75.4	0	0	0	110.6	F21 I25	F21-H23 PolarHBondContact O-N 3.02Å; H23-I25 PolarHBondContact O-N 3.24Å
24	P	73.3	Confident	69.6	Low	124 Å²	124	109.9 Å²	109.9	81%	0.805	57%	0.569	S	S	*	*			trans	-60.4	131.7	175.9	24.7	-32.1	0	0	0	110.3
25	I	81.4	Confident	72.3	Confident	33 Å²	33	100.6 Å²	100.6	17%	0.169	53%	0.529	C	S	.	.			trans	-58.7	125.8	178.6	-62.5	169.8	0	0	0	108.9	H23 W27 A40 L42 A118	H23-I25 PolarHBondContact O-N 3.24Å; I25-W27 PolarHBondContact O-N 3.26Å; I25-W27 VanDerWaalsContact O-N 3.14Å; I25-W27 PolarHBondContact O-NE1 2.64Å; I25-A40 HydrophobicContact CG2-CB 3.38Å; I25-L42 HydrophobicContact CD1-CD1 3.64Å; I25-A118 HydrophobicContact CD1-CB 3.63Å
26	P	91.6	Very high	75.2	Confident	111 Å²	111	96.9 Å²	96.9	72%	0.721	51%	0.509	S	S	*	.			trans	-74	107.6	179.1	28.6	-32.7	0	0	0	110.2
27	W	96.6	Very high	78.1	Confident	98 Å²	98	90.9 Å²	90.9	37%	0.371	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-86.2	133	178.3	-65	95.5	0	0	0	112.1	I25 D38 A40 A118 T119 L193	I25-W27 PolarHBondContact O-N 3.26Å; I25-W27 VanDerWaalsContact O-N 3.14Å; I25-W27 PolarHBondContact O-NE1 2.64Å; W27-D38 HydrophobicContact CD2-CB 4.47Å; W27-D38 HydrophobicContact CE3-CB 3.64Å; W27-D38 HydrophobicContact CZ3-CB 3.98Å; W27-A40 HydrophobicContact CD2-CB 4.01Å; W27-A40 HydrophobicContact CE3-CB 3.62Å; W27-A40 HydrophobicContact CH2-CB 4.41Å; W27-A40 HydrophobicContact CZ3-CB 3.85Å; W27-A118 HydrophobicContact CZ2-CB 4.33Å; W27-T119 HydrophobicContact CH2-CG2 4.04Å; W27-T119 HydrophobicContact CZ2-CG2 4.45Å; W27-L193 HydrophobicContact CH2-CD2 3.64Å; W27-L193 HydrophobicContact CH2-CG 4.36Å; W27-L193 HydrophobicContact CZ3-CD2 4.21Å; W27-L193 HydrophobicContact CZ3-CG 4.45Å
28	Q	97.5	Very high	80.9	Confident	108 Å²	108	89 Å²	89	51%	0.505	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	120.3	166.5	179.5	-176.5	-21	0	0	109.4	Y39	Q28-Y39 HydrophobicContact CB-CD1 4.46Å; Q28-Y39 PolarHBondContact N-O 3.15Å; Q28-Y39 PolarHBondContact O-N 2.88Å
29	K	97.8	Very high	83.5	Confident	87 Å²	87	81.1 Å²	81.1	38%	0.378	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	134.5	173.4	-163.6	66.1	175.9	-178.4	0	111	E31 D36 D38	K29-E31 HydrophobicContact CD-CG 4.22Å; K29-E31 VanDerWaalsContact CE-CD 3.45Å; K29-E31 WeakPolarHBondContact CE-OE1 3.24Å; K29-E31 HydrophobicContact CG-CG 3.72Å; K29-E31 WeakPolarHBondContact CG-OE2 3.31Å; K29-D36 VanDerWaalsContact CE-OD1 3.24Å; K29-D36 WeakPolarHBondContact CE-OD1 3.42Å; K29-D36 IonicContact NZ-OD1 2.8Å; K29-D36 PolarHBondContact NZ-OD1 2.9Å; K29-D36 IonicContact NZ-OD2 3.57Å; K29-D38 WeakPolarHBondContact CD-OD1 3.45Å; K29-D38 IonicContact NZ-OD1 3.84Å; K29-D38 PolarHBondContact NZ-OD1 3.23Å; K29-D38 IonicContact NZ-OD2 2.69Å
30	I	98.2	Very high	86.2	Confident	15 Å²	15	72.6 Å²	72.6	8%	0.077	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	105.5	176.4	-56.3	168.9	0	0	0	107.9	L35 C37 Y39 V184 L186 L194	I30-L35 HydrophobicContact CG2-CD2 4.28Å; I30-C37 HydrophobicContact CB-CB 4.09Å; I30-C37 PolarHBondContact N-O 3.02Å; I30-C37 PolarHBondContact O-N 2.84Å; I30-Y39 HydrophobicContact CD1-CG 4.48Å; I30-V184 HydrophobicContact CG2-CG1 3.87Å; I30-L186 HydrophobicContact CD1-CD1 3.8Å; I30-L186 HydrophobicContact CD1-CD2 3.58Å; I30-L186 HydrophobicContact CD1-CG 4.17Å; I30-L194 HydrophobicContact CD1-CD1 4.44Å
31	E	97.5	Very high	88.5	Confident	134 Å²	134	68.9 Å²	68.9	63%	0.626	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.5	145.5	-172.1	-77.4	169.7	147.3	0	0	112.6	K29 L35	K29-E31 HydrophobicContact CD-CG 4.22Å; K29-E31 VanDerWaalsContact CE-CD 3.45Å; K29-E31 WeakPolarHBondContact CE-OE1 3.24Å; K29-E31 HydrophobicContact CG-CG 3.72Å; K29-E31 WeakPolarHBondContact CG-OE2 3.31Å; E31-L35 WeakPolarHBondContact CA-O 3.31Å
32	A	96.8	Very high	90.9	Very high	42 Å²	42	63.9 Å²	63.9	35%	0.347	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	-177.8	167	0	0	0	0	0	108.1	G34 L35 V184 W204	A32-G34 PolarHBondContact O-N 3.12Å; A32-L35 HydrophobicContact CB-CB 3.89Å; A32-L35 HydrophobicContact CB-CD2 4.1Å; A32-L35 PolarHBondContact N-O 3.04Å; A32-L35 VanDerWaalsContact N-O 3.12Å; A32-L35 PolarHBondContact O-N 3.35Å; A32-L35 VanDerWaalsContact O-O 3.09Å; A32-V184 HydrophobicContact CB-CG2 4.29Å; A32-W204 HydrophobicContact CB-CH2 4.22Å; A32-W204 HydrophobicContact CB-CZ2 3.81Å
33	E	95.7	Very high	93.4	Very high	108 Å²	108	60 Å²	60	51%	0.505	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	110.8	175.2	-176.8	-172.3	152.5	0	0	111.4	L35 R179 W204	E33-L35 PolarHBondContact O-N 2.94Å; E33-R179 IonicContact OE1-CZ 3.68Å; E33-R179 IonicContact OE1-NH1 3.77Å; E33-R179 PolarHBondContact OE1-NH1 2.68Å; E33-R179 IonicContact OE1-NH2 3.87Å; E33-R179 PolarHBondContact OE1-NH2 2.79Å; E33-R179 IonicContact OE2-CZ 2.69Å; E33-R179 IonicContact OE2-NH1 3.28Å; E33-R179 IonicContact OE2-NH2 3.45Å; E33-R179 PolarHBondContact OE2-NH2 3.37Å; E33-W204 PolarHBondContact O-NE1 3.41Å
34	G	96.4	Very high	95.3	Very high	25 Å²	25	59.4 Å²	59.4	26%	0.258	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.3	11.6	-178.3	0	0	0	0	0	115	A32 T200 W204	A32-G34 PolarHBondContact O-N 3.12Å; G34-T200 WeakPolarHBondContact O-CA 3.3Å; G34-W204 VanDerWaalsContact O-CD1 3.26Å
35	L	98.2	Very high	96.5	Very high	5 Å²	5	60.1 Å²	60.1	3%	0.026	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	120.6	170.8	-178	67.6	0	0	0	108.2	I30 E31 A32 E33 F167 V184 T200 W204	I30-L35 HydrophobicContact CG2-CD2 4.28Å; E31-L35 WeakPolarHBondContact CA-O 3.31Å; A32-L35 HydrophobicContact CB-CB 3.89Å; A32-L35 HydrophobicContact CB-CD2 4.1Å; A32-L35 PolarHBondContact N-O 3.04Å; A32-L35 VanDerWaalsContact N-O 3.12Å; A32-L35 PolarHBondContact O-N 3.35Å; A32-L35 VanDerWaalsContact O-O 3.09Å; E33-L35 PolarHBondContact O-N 2.94Å; L35-F167 HydrophobicContact CD1-CD1 3.86Å; L35-F167 HydrophobicContact CD1-CD2 4.42Å; L35-F167 HydrophobicContact CD1-CE1 4.01Å; L35-F167 HydrophobicContact CD1-CG 4.06Å; L35-F167 HydrophobicContact CD1-CZ 4.32Å; L35-V184 HydrophobicContact CD2-CB 3.9Å; L35-V184 HydrophobicContact CD2-CG1 3.95Å; L35-V184 HydrophobicContact CD2-CG2 3.73Å; L35-T200 HydrophobicContact CD1-CG2 3.53Å; L35-W204 HydrophobicContact CB-CD2 4.24Å; L35-W204 HydrophobicContact CB-CG 4.3Å; L35-W204 HydrophobicContact CB-CZ2 4.19Å; L35-W204 HydrophobicContact CD1-CB 4.4Å; L35-W204 HydrophobicContact CD1-CD2 4.37Å; L35-W204 HydrophobicContact CD1-CG 4.07Å
36	D	98.3	Very high	97.2	Very high	43 Å²	43	66 Å²	66	23%	0.23	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	108.5	174.9	177.6	-1.5	0	0	0	107.9	K29 N197 T200	K29-D36 VanDerWaalsContact CE-OD1 3.24Å; K29-D36 WeakPolarHBondContact CE-OD1 3.42Å; K29-D36 IonicContact NZ-OD1 2.8Å; K29-D36 PolarHBondContact NZ-OD1 2.9Å; K29-D36 IonicContact NZ-OD2 3.57Å; D36-N197 HydrophobicContact CB-CB 4.14Å; D36-N197 WeakPolarHBondContact O-CB 3.43Å; D36-N197 PolarHBondContact O-N 3.42Å; D36-N197 PolarHBondContact OD1-ND2 3.15Å; D36-T200 PolarHBondContact N-OG1 2.91Å; D36-T200 PolarHBondContact O-OG1 3.33Å
37	C	98.6	Very high	97.5	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	145.8	176.7	-65.9	0	0	0	0	111.2	I30 L194 L195	I30-C37 HydrophobicContact CB-CB 4.09Å; I30-C37 PolarHBondContact N-O 3.02Å; I30-C37 PolarHBondContact O-N 2.84Å; C37-L194 HydrophobicContact CB-CD1 3.87Å; C37-L195 CarbonylContact C-O 3.48Å; C37-L195 WeakPolarHBondContact CA-O 3.28Å
38	D	98.4	Very high	97.6	Very high	32 Å²	32	59.9 Å²	59.9	17%	0.171	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	133.6	169.1	-54.4	-62.5	0	0	0	109.1	W27 K29 L195 N197	W27-D38 HydrophobicContact CD2-CB 4.47Å; W27-D38 HydrophobicContact CE3-CB 3.64Å; W27-D38 HydrophobicContact CZ3-CB 3.98Å; K29-D38 WeakPolarHBondContact CD-OD1 3.45Å; K29-D38 IonicContact NZ-OD1 3.84Å; K29-D38 PolarHBondContact NZ-OD1 3.23Å; K29-D38 IonicContact NZ-OD2 2.69Å; D38-L195 HydrophobicContact CB-CB 4.23Å; D38-L195 PolarHBondContact N-O 3.39Å; D38-L195 PolarHBondContact O-N 3.22Å; D38-N197 PolarHBondContact OD2-ND2 3.29Å
39	Y	98.6	Very high	97.7	Very high	24 Å²	24	57.5 Å²	57.5	9%	0.094	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	136.6	-179	177.3	-101.9	0	0	0	111	Q28 I30 L186 E187 L188 A189 S192 L193 L194	Q28-Y39 HydrophobicContact CB-CD1 4.46Å; Q28-Y39 PolarHBondContact N-O 3.15Å; Q28-Y39 PolarHBondContact O-N 2.88Å; I30-Y39 HydrophobicContact CD1-CG 4.48Å; Y39-L186 HydrophobicContact CD1-CD1 4.3Å; Y39-L186 HydrophobicContact CD2-CD1 4.45Å; Y39-L186 HydrophobicContact CD2-CD2 3.71Å; Y39-L186 HydrophobicContact CE1-CD1 4.44Å; Y39-L186 HydrophobicContact CE2-CD2 4.11Å; Y39-L186 HydrophobicContact CG-CD1 4.29Å; Y39-L186 HydrophobicContact CG-CD2 4.12Å; Y39-E187 PolarHBondContact OH-O 2.91Å; Y39-L188 HydrophobicContact CD2-CD2 4.2Å; Y39-L188 HydrophobicContact CE2-CD2 3.83Å; Y39-A189 WeakPolarHBondContact OH-CB 3.38Å; Y39-A189 PolarHBondContact OH-N 3.21Å; Y39-S192 VanDerWaalsContact CE2-CB 3.47Å; Y39-S192 VanDerWaalsContact OH-CB 3.29Å; Y39-S192 WeakPolarHBondContact OH-CB 3.43Å; Y39-L193 WeakPolarHBondContact CA-O 3.3Å; Y39-L193 WeakPolarHBondContact CD2-O 3.3Å; Y39-L194 HydrophobicContact CD2-CB 4.3Å
40	A	98	Very high	97.7	Very high	3 Å²	3	56.9 Å²	56.9	3%	0.025	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	161.9	175.8	0	0	0	0	0	112	I25 W27 S192 L193	I25-A40 HydrophobicContact CG2-CB 3.38Å; W27-A40 HydrophobicContact CD2-CB 4.01Å; W27-A40 HydrophobicContact CE3-CB 3.62Å; W27-A40 HydrophobicContact CH2-CB 4.41Å; W27-A40 HydrophobicContact CZ3-CB 3.85Å; A40-S192 CarbonylContact O-C 3.47Å; A40-S192 VanDerWaalsContact O-CA 3.31Å; A40-S192 WeakPolarHBondContact O-CA 3.49Å; A40-L193 PolarHBondContact N-O 3.5Å; A40-L193 PolarHBondContact O-N 3Å
41	L	97.8	Very high	97.7	Very high	103 Å²	103	56.8 Å²	56.8	54%	0.539	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	106.6	161	-65.4	178.4	0	0	0	107.5	A189	L41-A189 HydrophobicContact CD2-CB 4.03Å
42	L	97.6	Very high	97.8	Very high	6 Å²	6	52.2 Å²	52.2	3%	0.031	27%	0.268	C	S	.	.			trans	-82.4	-39.3	-176.3	177.8	61.3	0	0	0	111.6	I25 V115 A118 V157 G191 L193	I25-L42 HydrophobicContact CD1-CD1 3.64Å; L42-V115 HydrophobicContact CD2-CG2 3.71Å; L42-A118 HydrophobicContact CD1-CB 3.78Å; L42-V157 HydrophobicContact CD2-CG2 4.31Å; L42-G191 PolarHBondContact N-O 3.23Å; L42-L193 HydrophobicContact CB-CB 3.88Å; L42-L193 HydrophobicContact CD2-CB 4.17Å; L42-L193 HydrophobicContact CD2-CD2 4.12Å
43	F	97.7	Very high	97.9	Very high	15 Å²	15	56.4 Å²	56.4	7%	0.066	28%	0.275	C	S	.	.	S	Bend	trans	-115.3	140.7	-178	-59.3	-70.7	0	0	0	110.6	E47 A48 L51 I111 A114 V157 G191	F43-E47 HydrophobicContact CB-CB 4.33Å; F43-A48 HydrophobicContact CB-CB 3.94Å; F43-L51 HydrophobicContact CD1-CD1 3.77Å; F43-L51 HydrophobicContact CD2-CD1 4.02Å; F43-L51 HydrophobicContact CE1-CD1 3.79Å; F43-L51 HydrophobicContact CE2-CD1 4.04Å; F43-L51 HydrophobicContact CG-CD1 3.88Å; F43-L51 HydrophobicContact CZ-CD1 3.92Å; F43-I111 HydrophobicContact CE2-CG2 4.16Å; F43-I111 HydrophobicContact CZ-CB 4.47Å; F43-I111 HydrophobicContact CZ-CG1 4.27Å; F43-I111 HydrophobicContact CZ-CG2 4.13Å; F43-A114 HydrophobicContact CE1-CB 3.85Å; F43-A114 HydrophobicContact CZ-CB 3.84Å; F43-V157 HydrophobicContact CD2-CG1 4.43Å; F43-V157 HydrophobicContact CE2-CG1 3.98Å; F43-G191 PolarHBondContact N-O 3.37Å
44	L	96.3	Very high	98	Very high	131 Å²	131	55.1 Å²	55.1	69%	0.686	27%	0.269	S	S	*	.			trans	-66.5	159.8	167.4	-64.5	179	0	0	0	109.8	E46 E47 A48	L44-E46 VanDerWaalsContact C-N 3.3Å; L44-E46 PolarHBondContact O-N 3.39Å; L44-E47 HydrophobicContact CB-CG 4.44Å; L44-E47 PolarHBondContact N-OE2 3.17Å; L44-E47 PolarHBondContact O-N 3.48Å; L44-A48 VanDerWaalsContact O-CB 3.31Å; L44-A48 WeakPolarHBondContact O-CB 3.25Å; L44-A48 PolarHBondContact O-N 3.14Å
45	K	96.8	Very high	98.1	Very high	140 Å²	140	54 Å²	54	61%	0.609	26%	0.257	S	S	*	.	H	α-helix	trans	-54.7	-45	-174.6	-173.8	-172.3	173.2	-62.4	0	112.4	A48 D49	K45-A48 PolarHBondContact O-N 2.96Å; K45-D49 IonicContact NZ-OD1 2.64Å; K45-D49 IonicContact NZ-OD2 3.69Å; K45-D49 PolarHBondContact NZ-OD2 3.3Å; K45-D49 WeakPolarHBondContact O-CB 3.4Å; K45-D49 PolarHBondContact O-N 3.48Å
46	E	97.7	Very high	98.1	Very high	156 Å²	156	56.9 Å²	56.9	73%	0.729	27%	0.271	S	S	*	.	H	α-helix	trans	-67.8	-41.3	-176.7	-64.5	-177	178.4	0	0	112.5	L44 D49 N50	L44-E46 VanDerWaalsContact C-N 3.3Å; L44-E46 PolarHBondContact O-N 3.39Å; E46-D49 PolarHBondContact O-N 2.93Å; E46-N50 PolarHBondContact O-N 2.76Å; E46-N50 VanDerWaalsContact O-N 3.12Å; E46-N50 PolarHBondContact O-ND2 3Å
47	E	97.9	Very high	98.1	Very high	81 Å²	81	62.2 Å²	62.2	38%	0.379	29%	0.294	S	S	.	.	H	α-helix	trans	-62.5	-48	174.2	-60	174.2	137.9	0	0	110.4	F43 L44 D49 N50 L51	F43-E47 HydrophobicContact CB-CB 4.33Å; L44-E47 HydrophobicContact CB-CG 4.44Å; L44-E47 PolarHBondContact N-OE2 3.17Å; L44-E47 PolarHBondContact O-N 3.48Å; E47-D49 VanDerWaalsContact C-N 3.31Å; E47-D49 PolarHBondContact O-N 2.83Å; E47-N50 PolarHBondContact O-N 3.29Å; E47-N50 VanDerWaalsContact O-N 3.15Å; E47-L51 VanDerWaalsContact O-CG 3.3Å; E47-L51 WeakPolarHBondContact O-CG 3.29Å; E47-L51 PolarHBondContact O-N 3.45Å
48	A	98.6	Very high	98.1	Very high	0 Å²	0	65 Å²	65	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-62.4	-37.6	179.4	0	0	0	0	0	112	F43 L44 K45 F52 L159 H190	F43-A48 HydrophobicContact CB-CB 3.94Å; L44-A48 VanDerWaalsContact O-CB 3.31Å; L44-A48 WeakPolarHBondContact O-CB 3.25Å; L44-A48 PolarHBondContact O-N 3.14Å; K45-A48 PolarHBondContact O-N 2.96Å; A48-F52 VanDerWaalsContact O-CB 3.28Å; A48-F52 WeakPolarHBondContact O-CB 3.27Å; A48-F52 PolarHBondContact O-N 3.39Å; A48-L159 HydrophobicContact CB-CD2 3.78Å; A48-H190 VanDerWaalsContact C-NE2 3.26Å; A48-H190 WeakPolarHBondContact CB-CE1 3.43Å; A48-H190 WeakPolarHBondContact CB-NE2 3.31Å; A48-H190 PolarHBondContact O-CE1 2.99Å
49	D	98.6	Very high	98	Very high	58 Å²	58	64 Å²	64	31%	0.31	30%	0.302	S	S	.	.	H	α-helix	trans	-63.1	-41.4	175.1	-77.3	-33.8	0	0	0	111	K45 E46 E47 R53 H190	K45-D49 IonicContact NZ-OD1 2.64Å; K45-D49 IonicContact NZ-OD2 3.69Å; K45-D49 PolarHBondContact NZ-OD2 3.3Å; K45-D49 WeakPolarHBondContact O-CB 3.4Å; K45-D49 PolarHBondContact O-N 3.48Å; E46-D49 PolarHBondContact O-N 2.93Å; E47-D49 VanDerWaalsContact C-N 3.31Å; E47-D49 PolarHBondContact O-N 2.83Å; D49-R53 PolarHBondContact O-N 2.93Å; D49-R53 VanDerWaalsContact O-N 3.15Å; D49-H190 PolarHBondContact N-NE2 3.08Å; D49-H190 IonicContact OD1-CD2 3.22Å; D49-H190 IonicContact OD1-NE2 3.8Å; D49-H190 PolarHBondContact OD1-NE2 2.95Å
50	N	98.6	Very high	97.9	Very high	74 Å²	74	68.1 Å²	68.1	40%	0.396	33%	0.329	S	S	.	.	H	α-helix	trans	-68.2	-48.1	177.6	-73.2	-27.4	0	0	0	112	E46 E47 F52 R53 Q54	E46-N50 PolarHBondContact O-N 2.76Å; E46-N50 VanDerWaalsContact O-N 3.12Å; E46-N50 PolarHBondContact O-ND2 3Å; E47-N50 PolarHBondContact O-N 3.29Å; E47-N50 VanDerWaalsContact O-N 3.15Å; N50-F52 VanDerWaalsContact C-N 3.29Å; N50-F52 PolarHBondContact O-N 3.39Å; N50-R53 PolarHBondContact O-N 2.89Å; N50-R53 VanDerWaalsContact O-N 3.17Å; N50-R53 PolarHBondContact OD1-NH1 3.43Å; N50-R53 PolarHBondContact OD1-NH2 3.1Å; N50-Q54 WeakPolarHBondContact O-CG 3.49Å; N50-Q54 PolarHBondContact O-N 2.82Å
51	L	98.8	Very high	97.7	Very high	13 Å²	13	69.3 Å²	69.3	7%	0.068	33%	0.334	C	S	.	.	H	α-helix	trans	-57.6	-42.9	175.6	-68.2	171.6	0	0	0	111.2	F43 E47 R53 Q54 L55 T107 I111 L159	F43-L51 HydrophobicContact CD1-CD1 3.77Å; F43-L51 HydrophobicContact CD2-CD1 4.02Å; F43-L51 HydrophobicContact CE1-CD1 3.79Å; F43-L51 HydrophobicContact CE2-CD1 4.04Å; F43-L51 HydrophobicContact CG-CD1 3.88Å; F43-L51 HydrophobicContact CZ-CD1 3.92Å; E47-L51 VanDerWaalsContact O-CG 3.3Å; E47-L51 WeakPolarHBondContact O-CG 3.29Å; E47-L51 PolarHBondContact O-N 3.45Å; L51-R53 PolarHBondContact O-N 3.47Å; L51-Q54 PolarHBondContact O-N 3.29Å; L51-L55 WeakPolarHBondContact O-CB 3.24Å; L51-L55 VanDerWaalsContact O-CG 3.24Å; L51-L55 WeakPolarHBondContact O-CG 3.46Å; L51-L55 PolarHBondContact O-N 3.22Å; L51-T107 HydrophobicContact CD2-CG2 3.81Å; L51-I111 HydrophobicContact CB-CD1 4.35Å; L51-I111 HydrophobicContact CD1-CD1 4.31Å; L51-I111 HydrophobicContact CD1-CG1 4.01Å; L51-I111 HydrophobicContact CD2-CD1 4.12Å; L51-I111 HydrophobicContact CD2-CG1 3.88Å; L51-I111 HydrophobicContact CG-CD1 4.5Å; L51-I111 HydrophobicContact CG-CG1 4.45Å; L51-L159 HydrophobicContact CB-CD1 3.94Å
52	F	98.8	Very high	97.3	Very high	37 Å²	37	65.9 Å²	65.9	16%	0.162	32%	0.318	C	S	.	.	H	α-helix	trans	-60.1	-45.4	177.2	-178.1	-95.4	0	0	0	111.9	A48 N50 L55 E56 L159 P217 I219	A48-F52 VanDerWaalsContact O-CB 3.28Å; A48-F52 WeakPolarHBondContact O-CB 3.27Å; A48-F52 PolarHBondContact O-N 3.39Å; N50-F52 VanDerWaalsContact C-N 3.29Å; N50-F52 PolarHBondContact O-N 3.39Å; F52-L55 PolarHBondContact O-N 2.88Å; F52-E56 HydrophobicContact CD1-CG 4.4Å; F52-E56 HydrophobicContact CE1-CG 3.88Å; F52-E56 HydrophobicContact CZ-CG 3.99Å; F52-E56 PolarHBondContact O-N 3.45Å; F52-E56 VanDerWaalsContact O-N 3.12Å; F52-L159 HydrophobicContact CB-CB 4.19Å; F52-L159 HydrophobicContact CD2-CB 3.78Å; F52-L159 HydrophobicContact CG-CB 4.48Å; F52-P217 HydrophobicContact CE1-CG 4.36Å; F52-P217 HydrophobicContact CZ-CB 4.13Å; F52-P217 HydrophobicContact CZ-CG 3.73Å; F52-I219 HydrophobicContact CD2-CB 4.41Å; F52-I219 HydrophobicContact CD2-CD1 3.93Å; F52-I219 HydrophobicContact CD2-CG1 4.27Å; F52-I219 HydrophobicContact CE2-CB 4.24Å; F52-I219 HydrophobicContact CE2-CD1 3.73Å; F52-I219 HydrophobicContact CE2-CG1 3.79Å; F52-I219 HydrophobicContact CZ-CD1 4.37Å
53	R	98.7	Very high	96.8	Very high	130 Å²	130	70.9 Å²	70.9	49%	0.491	35%	0.349	S	S	.	.	H	α-helix	trans	-62.8	-47.6	179.1	-166.4	-172	-46.1	109.2	9.9	111.7	D49 N50 L51 L55 E56 E57	D49-R53 PolarHBondContact O-N 2.93Å; D49-R53 VanDerWaalsContact O-N 3.15Å; N50-R53 PolarHBondContact O-N 2.89Å; N50-R53 VanDerWaalsContact O-N 3.17Å; N50-R53 PolarHBondContact OD1-NH1 3.43Å; N50-R53 PolarHBondContact OD1-NH2 3.1Å; L51-R53 PolarHBondContact O-N 3.47Å; R53-L55 VanDerWaalsContact C-N 3.34Å; R53-L55 PolarHBondContact O-N 3.28Å; R53-E56 PolarHBondContact O-N 3.23Å; R53-E57 PolarHBondContact O-N 3.46Å
54	Q	98.7	Very high	96.1	Very high	82 Å²	82	72.4 Å²	72.4	38%	0.383	37%	0.369	S	S	.	.	H	α-helix	trans	-61.1	-42.2	178.8	-71.3	172.5	-45.8	0	0	111.6	N50 L51 E56 E57 E58 T107	N50-Q54 WeakPolarHBondContact O-CG 3.49Å; N50-Q54 PolarHBondContact O-N 2.82Å; L51-Q54 PolarHBondContact O-N 3.29Å; Q54-E56 VanDerWaalsContact C-N 3.35Å; Q54-E56 PolarHBondContact O-N 3.45Å; Q54-E57 PolarHBondContact O-N 3.4Å; Q54-E57 VanDerWaalsContact O-N 3.11Å; Q54-E58 WeakPolarHBondContact O-CB 3.34Å; Q54-E58 WeakPolarHBondContact O-CG 3.49Å; Q54-E58 PolarHBondContact O-N 2.98Å; Q54-T107 HydrophobicContact CB-CG2 3.95Å; Q54-T107 WeakPolarHBondContact CB-OG1 3.48Å; Q54-T107 PolarHBondContact OE1-OG1 3.44Å
55	L	98.6	Very high	95	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-67.1	-31.8	177.6	-69.9	172.6	0	0	0	113.7	L51 F52 R53 E57 V59 T107 L108 I111 L159 I219 L221	L51-L55 WeakPolarHBondContact O-CB 3.24Å; L51-L55 VanDerWaalsContact O-CG 3.24Å; L51-L55 WeakPolarHBondContact O-CG 3.46Å; L51-L55 PolarHBondContact O-N 3.22Å; F52-L55 PolarHBondContact O-N 2.88Å; R53-L55 VanDerWaalsContact C-N 3.34Å; R53-L55 PolarHBondContact O-N 3.28Å; L55-E57 PolarHBondContact O-N 2.82Å; L55-V59 HydrophobicContact CB-CG2 4.17Å; L55-V59 HydrophobicContact CD2-CG2 3.79Å; L55-V59 VanDerWaalsContact O-CB 3.26Å; L55-V59 WeakPolarHBondContact O-CB 3.21Å; L55-V59 VanDerWaalsContact O-CG2 3.29Å; L55-V59 WeakPolarHBondContact O-CG2 3.09Å; L55-V59 PolarHBondContact O-N 2.66Å; L55-V59 VanDerWaalsContact O-N 3.12Å; L55-T107 HydrophobicContact CD2-CG2 3.79Å; L55-T107 HydrophobicContact CG-CG2 3.79Å; L55-L108 HydrophobicContact CD2-CD2 3.58Å; L55-L108 HydrophobicContact CD2-CG 3.93Å; L55-I111 HydrophobicContact CD1-CD1 3.86Å; L55-L159 HydrophobicContact CD1-CD1 3.55Å; L55-I219 HydrophobicContact CB-CD1 3.86Å; L55-I219 HydrophobicContact CD1-CG2 4.28Å; L55-L221 HydrophobicContact CD1-CD1 3.97Å; L55-L221 HydrophobicContact CD1-CD2 4.39Å
56	E	97.9	Very high	93.9	Very high	67 Å²	67	70.1 Å²	70.1	31%	0.313	36%	0.357	S	S	.	.	H	α-helix	trans	-64.4	-26.2	173.2	-75.2	-72	119.7	0	0	112.2	F52 R53 Q54 R130 I219	F52-E56 HydrophobicContact CD1-CG 4.4Å; F52-E56 HydrophobicContact CE1-CG 3.88Å; F52-E56 HydrophobicContact CZ-CG 3.99Å; F52-E56 PolarHBondContact O-N 3.45Å; F52-E56 VanDerWaalsContact O-N 3.12Å; R53-E56 PolarHBondContact O-N 3.23Å; Q54-E56 VanDerWaalsContact C-N 3.35Å; Q54-E56 PolarHBondContact O-N 3.45Å; E56-R130 VanDerWaalsContact CD-NE 3.33Å; E56-R130 WeakPolarHBondContact OE1-CD 3.44Å; E56-R130 IonicContact OE1-CZ 2.72Å; E56-R130 IonicContact OE1-NE 2.84Å; E56-R130 PolarHBondContact OE1-NE 3.23Å; E56-R130 IonicContact OE1-NH2 3.24Å; E56-R130 IonicContact OE2-CZ 3.26Å; E56-R130 IonicContact OE2-NE 3.54Å; E56-R130 PolarHBondContact OE2-NE 3.46Å; E56-R130 VanDerWaalsContact OE2-NE 3.12Å; E56-R130 IonicContact OE2-NH2 3.43Å; E56-R130 PolarHBondContact OE2-NH2 2.8Å; E56-I219 HydrophobicContact CG-CD1 4.02Å; E56-I219 WeakPolarHBondContact OE1-CD1 3.21Å
57	E	97.6	Very high	93	Very high	154 Å²	154	64.6 Å²	64.6	72%	0.72	34%	0.335	S	S	*	.	H	α-helix	trans	-90.4	-43.4	178.7	-65.5	174.3	-173.9	0	0	112.4	R53 Q54 L55	R53-E57 PolarHBondContact O-N 3.46Å; Q54-E57 PolarHBondContact O-N 3.4Å; Q54-E57 VanDerWaalsContact O-N 3.11Å; L55-E57 PolarHBondContact O-N 2.82Å
58	E	97.8	Very high	92.1	Very high	58 Å²	58	64.3 Å²	64.3	27%	0.271	33%	0.333	S	S	.	.	H	α-helix	trans	-83	-32.1	-172.3	-69.5	177.5	-158.6	0	0	114.3	Q54 V60 T105 T107	Q54-E58 WeakPolarHBondContact O-CB 3.34Å; Q54-E58 WeakPolarHBondContact O-CG 3.49Å; Q54-E58 PolarHBondContact O-N 2.98Å; E58-V60 PolarHBondContact O-N 3.23Å; E58-T105 HydrophobicContact CB-CG2 4.27Å; E58-T105 WeakPolarHBondContact OE2-CB 3.39Å; E58-T105 PolarHBondContact OE2-OG1 3.4Å; E58-T107 VanDerWaalsContact CD-OG1 3.24Å; E58-T107 PolarHBondContact OE1-OG1 2.95Å; E58-T107 WeakPolarHBondContact OE2-CB 3.24Å; E58-T107 PolarHBondContact OE2-N 2.88Å; E58-T107 PolarHBondContact OE2-OG1 3.04Å
59	V	97.4	Very high	91.1	Very high	11 Å²	11	65.9 Å²	65.9	7%	0.067	34%	0.342	C	S	.	.			trans	-79.5	119.8	-171.3	177.1	0	0	0	0	111.3	L55 Y61 A83 Y85 I128	L55-V59 HydrophobicContact CB-CG2 4.17Å; L55-V59 HydrophobicContact CD2-CG2 3.79Å; L55-V59 VanDerWaalsContact O-CB 3.26Å; L55-V59 WeakPolarHBondContact O-CB 3.21Å; L55-V59 VanDerWaalsContact O-CG2 3.29Å; L55-V59 WeakPolarHBondContact O-CG2 3.09Å; L55-V59 PolarHBondContact O-N 2.66Å; L55-V59 VanDerWaalsContact O-N 3.12Å; V59-Y61 HydrophobicContact CB-CE2 4.02Å; V59-Y61 HydrophobicContact CG1-CD1 4.1Å; V59-Y61 HydrophobicContact CG1-CD2 4.14Å; V59-Y61 HydrophobicContact CG1-CE1 3.7Å; V59-Y61 HydrophobicContact CG1-CE2 3.72Å; V59-Y61 HydrophobicContact CG1-CG 4.31Å; V59-Y61 VanDerWaalsContact CG1-CZ 3.46Å; V59-A83 HydrophobicContact CG1-CB 3.68Å; V59-Y85 HydrophobicContact CG1-CE2 4.2Å; V59-I128 HydrophobicContact CG1-CD1 3.9Å; V59-I128 HydrophobicContact CG1-CG2 4.37Å; V59-I128 HydrophobicContact CG2-CD1 3.8Å
60	V	96.6	Very high	90	Very high	111 Å²	111	69 Å²	69	67%	0.673	36%	0.355	S	S	*	.			trans	-93.2	106.5	174	-175.5	0	0	0	0	109.4	E58 A83 Y85	E58-V60 PolarHBondContact O-N 3.23Å; V60-A83 WeakPolarHBondContact O-CB 3.42Å; V60-Y85 PolarHBondContact N-OH 2.75Å
61	Y	94.5	Very high	88.7	Confident	29 Å²	29	68.3 Å²	68.3	11%	0.114	35%	0.354	C	S	.	.			trans	-79.7	144.2	179.4	-64.3	-81	0	0	0	112.7	V59 K81 Q82 A83 I128 R130	V59-Y61 HydrophobicContact CB-CE2 4.02Å; V59-Y61 HydrophobicContact CG1-CD1 4.1Å; V59-Y61 HydrophobicContact CG1-CD2 4.14Å; V59-Y61 HydrophobicContact CG1-CE1 3.7Å; V59-Y61 HydrophobicContact CG1-CE2 3.72Å; V59-Y61 HydrophobicContact CG1-CG 4.31Å; V59-Y61 VanDerWaalsContact CG1-CZ 3.46Å; Y61-K81 HydrophobicContact CD1-CB 3.47Å; Y61-K81 VanDerWaalsContact CD1-CB 3.47Å; Y61-K81 HydrophobicContact CD1-CD 4.5Å; Y61-K81 HydrophobicContact CD2-CB 4.44Å; Y61-K81 HydrophobicContact CD2-CD 4.01Å; Y61-K81 HydrophobicContact CE1-CB 4.11Å; Y61-K81 HydrophobicContact CG-CB 3.67Å; Y61-K81 HydrophobicContact CG-CD 3.9Å; Y61-K81 HydrophobicContact CG-CG 4.38Å; Y61-Q82 WeakPolarHBondContact CA-O 3.31Å; Y61-A83 HydrophobicContact CD1-CB 4.05Å; Y61-A83 HydrophobicContact CE1-CB 4.46Å; Y61-I128 HydrophobicContact CE1-CG2 4.05Å; Y61-R130 HydrophobicContact CD1-CB 4.37Å; Y61-R130 HydrophobicContact CE1-CB 3.46Å; Y61-R130 VanDerWaalsContact CE1-CB 3.46Å; Y61-R130 HydrophobicContact CE2-CB 4.38Å; Y61-R130 VanDerWaalsContact CZ-CB 3.49Å; Y61-R130 WeakPolarHBondContact OH-CB 3.38Å
62	S	88.9	Confident	87.6	Confident	31 Å²	31	77.7 Å²	77.7	22%	0.217	39%	0.394	C	S	.	.			trans	-56.9	142.9	173.5	-79.3	0	0	0	0	112.3	E66 Q82	S62-E66 PolarHBondContact OG-OE2 3.32Å; S62-Q82 WeakPolarHBondContact CB-O 3.27Å; S62-Q82 PolarHBondContact N-O 3.23Å
63	T	86.1	Confident	86.4	Confident	111 Å²	111	78.6 Å²	78.6	68%	0.681	41%	0.414	S	S	*	.			trans	-132.1	170.3	-179.4	62.9	0	0	0	0	111.1	E65 E66	T63-E65 PolarHBondContact O-N 3.48Å; T63-E66 WeakPolarHBondContact O-CB 3.44Å; T63-E66 PolarHBondContact O-N 3.46Å
64	G	83.3	Confident	85.4	Confident	47 Å²	47	78.9 Å²	78.9	49%	0.485	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	62.5	-134.6	176.2	0	0	0	0	0	113.3	E66 S67	G64-E66 PolarHBondContact O-N 3.48Å; G64-S67 PolarHBondContact O-N 2.99Å; G64-S67 VanDerWaalsContact O-N 3.08Å; G64-S67 PolarHBondContact O-OG 3.44Å
65	E	73.8	Confident	84.5	Confident	135 Å²	135	79.2 Å²	79.2	63%	0.631	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-61.1	-24.9	180	-66.5	-53.8	124.8	0	0	113.3	T63 S67 K68	T63-E65 PolarHBondContact O-N 3.48Å; E65-S67 PolarHBondContact O-N 3Å; E65-K68 PolarHBondContact O-N 3.44Å; E65-K68 IonicContact OE1-NZ 3.44Å; E65-K68 PolarHBondContact OE1-NZ 3.46Å; E65-K68 IonicContact OE2-NZ 2.68Å
66	E	73.9	Confident	83.7	Confident	88 Å²	88	85 Å²	85	41%	0.411	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-73.2	-16.3	178	-47.8	-165.2	142.7	0	0	113.4	S62 T63 G64 K68 R99	S62-E66 PolarHBondContact OG-OE2 3.32Å; T63-E66 WeakPolarHBondContact O-CB 3.44Å; T63-E66 PolarHBondContact O-N 3.46Å; G64-E66 PolarHBondContact O-N 3.48Å; E66-K68 VanDerWaalsContact C-N 3.28Å; E66-R99 IonicContact OE1-CZ 3.32Å; E66-R99 IonicContact OE1-NH1 2.79Å; E66-R99 PolarHBondContact OE1-NH1 2.94Å; E66-R99 IonicContact OE2-NH1 3.45Å
67	S	77.2	Confident	83.1	Confident	39 Å²	39	87.5 Å²	87.5	27%	0.273	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-91.6	12.9	174.7	70.2	0	0	0	0	113.1	G64 E65 I78	G64-S67 PolarHBondContact O-N 2.99Å; G64-S67 VanDerWaalsContact O-N 3.08Å; G64-S67 PolarHBondContact O-OG 3.44Å; E65-S67 PolarHBondContact O-N 3Å; S67-I78 WeakPolarHBondContact O-CB 3.26Å; S67-I78 WeakPolarHBondContact O-CG1 3.38Å; S67-I78 PolarHBondContact O-N 3.4Å
68	K	79.1	Confident	82.4	Confident	75 Å²	75	81 Å²	81	33%	0.326	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	148.9	179.5	-61.6	178.6	-174.1	169.6	0	111.3	E65 E66 V75 Y76	E65-K68 PolarHBondContact O-N 3.44Å; E65-K68 IonicContact OE1-NZ 3.44Å; E65-K68 PolarHBondContact OE1-NZ 3.46Å; E65-K68 IonicContact OE2-NZ 2.68Å; E66-K68 VanDerWaalsContact C-N 3.28Å; K68-V75 HydrophobicContact CB-CG1 3.75Å; K68-V75 HydrophobicContact CD-CG1 3.82Å; K68-V75 HydrophobicContact CG-CG1 4.23Å; K68-Y76 CarbonylContact C-O 3.55Å; K68-Y76 VanDerWaalsContact CA-O 3.25Å; K68-Y76 WeakPolarHBondContact CA-O 3.43Å
69	V	77.8	Confident	81.9	Confident	33 Å²	33	80.4 Å²	80.4	20%	0.2	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	143.8	175.4	63	0	0	0	0	110.1	V71 V75 Y76 I78	V69-V71 HydrophobicContact CG1-CG2 4.09Å; V69-V71 HydrophobicContact CG2-CG2 4.2Å; V69-V75 WeakPolarHBondContact O-CA 3.36Å; V69-Y76 PolarHBondContact N-O 3.47Å; V69-Y76 PolarHBondContact O-N 3.18Å; V69-I78 HydrophobicContact CB-CD1 4.27Å; V69-I78 HydrophobicContact CB-CG1 3.96Å; V69-I78 HydrophobicContact CG1-CG1 3.85Å
70	Q	75.7	Confident	81.7	Confident	123 Å²	123	81.5 Å²	81.5	58%	0.575	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	119.3	174.3	-167.7	177.9	4.2	0	0	110.2	G73 K74	Q70-G73 PolarHBondContact NE2-O 2.69Å; Q70-K74 CarbonylContact C-O 3.53Å; Q70-K74 WeakPolarHBondContact CA-O 3.41Å
71	V	72.7	Confident	81.7	Confident	61 Å²	61	81.6 Å²	81.6	37%	0.37	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	121.7	179.1	-177.4	0	0	0	0	108.3	V69 G73 K74 Y76	V69-V71 HydrophobicContact CG1-CG2 4.09Å; V69-V71 HydrophobicContact CG2-CG2 4.2Å; V71-G73 VanDerWaalsContact C-N 3.26Å; V71-G73 PolarHBondContact O-N 2.86Å; V71-K74 PolarHBondContact N-O 2.64Å; V71-K74 PolarHBondContact O-N 3.12Å; V71-Y76 HydrophobicContact CB-CD2 4.12Å; V71-Y76 HydrophobicContact CB-CE2 4.2Å
72	F	73.7	Confident	81.6	Confident	209 Å²	209	81 Å²	81	92%	0.917	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	44	-176.3	-58.8	-64.5	0	0	0	113.7	K74	F72-K74 PolarHBondContact O-N 3.11Å
73	G	75.1	Confident	81.9	Confident	57 Å²	57	79.6 Å²	79.6	59%	0.588	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	-7.8	178.7	0	0	0	0	0	115.1	Q70 V71	Q70-G73 PolarHBondContact NE2-O 2.69Å; V71-G73 VanDerWaalsContact C-N 3.26Å; V71-G73 PolarHBondContact O-N 2.86Å
74	K	77.4	Confident	82.3	Confident	135 Å²	135	75 Å²	75	59%	0.587	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105	141.9	179.7	-67.5	-179.9	179.9	-177.9	0	111.2	Q70 V71 F72 Y76	Q70-K74 CarbonylContact C-O 3.53Å; Q70-K74 WeakPolarHBondContact CA-O 3.41Å; V71-K74 PolarHBondContact N-O 2.64Å; V71-K74 PolarHBondContact O-N 3.12Å; F72-K74 PolarHBondContact O-N 3.11Å; K74-Y76 HydrophobicContact CB-CD2 4.31Å; K74-Y76 HydrophobicContact CB-CE2 3.47Å; K74-Y76 VanDerWaalsContact CB-CE2 3.47Å; K74-Y76 WeakPolarHBondContact CD-OH 3.38Å; K74-Y76 WeakPolarHBondContact O-CD2 3.01Å
75	V	79.7	Confident	83	Confident	90 Å²	90	73.1 Å²	73.1	55%	0.545	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	129.1	179.4	-176.8	0	0	0	0	109.7	K68 V69	K68-V75 HydrophobicContact CB-CG1 3.75Å; K68-V75 HydrophobicContact CD-CG1 3.82Å; K68-V75 HydrophobicContact CG-CG1 4.23Å; V69-V75 WeakPolarHBondContact O-CA 3.36Å
76	Y	81.3	Confident	84	Confident	121 Å²	121	66.7 Å²	66.7	48%	0.475	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	147.8	179.4	-62.8	-84.9	0	0	0	110.6	K68 V69 V71 K74	K68-Y76 CarbonylContact C-O 3.55Å; K68-Y76 VanDerWaalsContact CA-O 3.25Å; K68-Y76 WeakPolarHBondContact CA-O 3.43Å; V69-Y76 PolarHBondContact N-O 3.47Å; V69-Y76 PolarHBondContact O-N 3.18Å; V71-Y76 HydrophobicContact CB-CD2 4.12Å; V71-Y76 HydrophobicContact CB-CE2 4.2Å; K74-Y76 HydrophobicContact CB-CD2 4.31Å; K74-Y76 HydrophobicContact CB-CE2 3.47Å; K74-Y76 VanDerWaalsContact CB-CE2 3.47Å; K74-Y76 WeakPolarHBondContact CD-OH 3.38Å; K74-Y76 WeakPolarHBondContact O-CD2 3.01Å
77	N	85.1	Confident	85	Confident	120 Å²	120	65.3 Å²	65.3	64%	0.642	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.7	135.4	166.1	-66.6	-22.9	0	0	0	109.2
78	I	84.1	Confident	85.5	Confident	16 Å²	16	68.4 Å²	68.4	8%	0.082	36%	0.362	C	S	.	.			trans	-68.7	125.6	176.4	-61.5	172.6	0	0	0	107.5	S67 V69 R80 Q82	S67-I78 WeakPolarHBondContact O-CB 3.26Å; S67-I78 WeakPolarHBondContact O-CG1 3.38Å; S67-I78 PolarHBondContact O-N 3.4Å; V69-I78 HydrophobicContact CB-CD1 4.27Å; V69-I78 HydrophobicContact CB-CG1 3.96Å; V69-I78 HydrophobicContact CG1-CG1 3.85Å; I78-R80 HydrophobicContact CG2-CG 3.6Å; I78-R80 WeakPolarHBondContact CG2-O 3.33Å; I78-R80 PolarHBondContact O-N 3.37Å; I78-Q82 HydrophobicContact CG2-CG 4.34Å
79	P	87.6	Confident	85.6	Confident	47 Å²	47	66.4 Å²	66.4	31%	0.305	36%	0.363	S	S	.	.	S	Bend	trans	-81.3	45.5	-174.9	35.1	-37.7	0	0	0	111.7	D136 H137	P79-D136 WeakPolarHBondContact O-CA 3.3Å; P79-D136 WeakPolarHBondContact O-CB 3.45Å; P79-H137 PolarHBondContact O-N 2.88Å
80	R	93.2	Very high	86.1	Confident	34 Å²	34	65.1 Å²	65.1	13%	0.128	36%	0.355	C	S	.	.	S	Bend	trans	-178.4	158.4	179.6	54.7	-173.4	-172.6	-77.1	-10	108.7	I78 Q82 N129 R130 Y131 D136 H137	I78-R80 HydrophobicContact CG2-CG 3.6Å; I78-R80 WeakPolarHBondContact CG2-O 3.33Å; I78-R80 PolarHBondContact O-N 3.37Å; R80-Q82 HydrophobicContact CG-CG 4.39Å; R80-Q82 VanDerWaalsContact NH2-NE2 3.15Å; R80-N129 WeakPolarHBondContact CD-OD1 3.09Å; R80-N129 PolarHBondContact NE-OD1 3.43Å; R80-R130 WeakPolarHBondContact CB-O 3.34Å; R80-Y131 HydrophobicContact CB-CD1 4.12Å; R80-Y131 HydrophobicContact CB-CE1 4.21Å; R80-Y131 VanDerWaalsContact CD-CE1 3.49Å; R80-Y131 HydrophobicContact CG-CE1 4.45Å; R80-D136 HydrophobicContact CB-CB 4.44Å; R80-H137 PolarHBondContact NH1-O 3.03Å
81	K	94.9	Very high	86.5	Confident	113 Å²	113	61.8 Å²	61.8	49%	0.491	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	145.6	169.9	-67.1	-176.7	175.8	-176.2	0	110.1	Y61 N129 R130	Y61-K81 HydrophobicContact CD1-CB 3.47Å; Y61-K81 VanDerWaalsContact CD1-CB 3.47Å; Y61-K81 HydrophobicContact CD1-CD 4.5Å; Y61-K81 HydrophobicContact CD2-CB 4.44Å; Y61-K81 HydrophobicContact CD2-CD 4.01Å; Y61-K81 HydrophobicContact CE1-CB 4.11Å; Y61-K81 HydrophobicContact CG-CB 3.67Å; Y61-K81 HydrophobicContact CG-CD 3.9Å; Y61-K81 HydrophobicContact CG-CG 4.38Å; K81-N129 WeakPolarHBondContact O-CA 3.46Å; K81-R130 HydrophobicContact CB-CB 4.26Å; K81-R130 PolarHBondContact N-O 2.85Å; K81-R130 PolarHBondContact O-N 2.89Å
82	Q	94.1	Very high	87	Confident	16 Å²	16	59.8 Å²	59.8	8%	0.075	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	149.7	177.7	-61.9	-170.2	-58.5	0	0	111.1	Y61 S62 I78 R80 Y94 I128 N129	Y61-Q82 WeakPolarHBondContact CA-O 3.31Å; S62-Q82 WeakPolarHBondContact CB-O 3.27Å; S62-Q82 PolarHBondContact N-O 3.23Å; I78-Q82 HydrophobicContact CG2-CG 4.34Å; R80-Q82 HydrophobicContact CG-CG 4.39Å; R80-Q82 VanDerWaalsContact NH2-NE2 3.15Å; Q82-Y94 PolarHBondContact OE1-OH 2.93Å; Q82-I128 VanDerWaalsContact CA-O 3.23Å; Q82-I128 WeakPolarHBondContact CA-O 3.44Å; Q82-N129 WeakPolarHBondContact CG-OD1 3.31Å; Q82-N129 PolarHBondContact NE2-OD1 2.8Å
83	A	94.4	Very high	87.2	Confident	2 Å²	2	52.3 Å²	52.3	2%	0.017	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	157.5	171.5	0	0	0	0	0	109	V59 V60 Y61 Y85 I128	V59-A83 HydrophobicContact CG1-CB 3.68Å; V60-A83 WeakPolarHBondContact O-CB 3.42Å; Y61-A83 HydrophobicContact CD1-CB 4.05Å; Y61-A83 HydrophobicContact CE1-CB 4.46Å; A83-Y85 HydrophobicContact CB-CD2 4.37Å; A83-Y85 HydrophobicContact CB-CE2 3.87Å; A83-I128 HydrophobicContact CB-CB 4.2Å; A83-I128 HydrophobicContact CB-CD1 4.45Å; A83-I128 PolarHBondContact N-O 3.1Å; A83-I128 VanDerWaalsContact N-O 3.1Å; A83-I128 PolarHBondContact O-N 2.86Å
84	T	94.6	Very high	87	Confident	13 Å²	13	52.4 Å²	52.4	8%	0.08	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	130.6	-179.9	53.5	0	0	0	0	111	Y92 S102 F125 V126 L127	T84-Y92 HydrophobicContact CG2-CE1 4Å; T84-Y92 HydrophobicContact CG2-CE2 3.95Å; T84-Y92 VanDerWaalsContact CG2-CZ 3.49Å; T84-Y92 VanDerWaalsContact CG2-OH 3.23Å; T84-Y92 WeakPolarHBondContact CG2-OH 3.46Å; T84-Y92 WeakPolarHBondContact OG1-CE1 3.47Å; T84-Y92 VanDerWaalsContact OG1-CZ 3.3Å; T84-Y92 PolarHBondContact OG1-OH 2.85Å; T84-S102 WeakPolarHBondContact O-CB 3.29Å; T84-S102 PolarHBondContact O-N 3.43Å; T84-F125 HydrophobicContact CG2-CE2 4.11Å; T84-F125 HydrophobicContact CG2-CZ 3.61Å; T84-V126 WeakPolarHBondContact CA-O 3.23Å; T84-L127 HydrophobicContact CG2-CD1 3.65Å
85	Y	96.8	Very high	86.5	Confident	9 Å²	9	49.3 Å²	49.3	4%	0.035	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	152.5	-179.1	-70.5	-106.9	0	0	0	109.5	V59 V60 A83 S102 P103 T105 L108 F125 V126 I128	V59-Y85 HydrophobicContact CG1-CE2 4.2Å; V60-Y85 PolarHBondContact N-OH 2.75Å; A83-Y85 HydrophobicContact CB-CD2 4.37Å; A83-Y85 HydrophobicContact CB-CE2 3.87Å; Y85-S102 CarbonylContact C-O 3.52Å; Y85-S102 WeakPolarHBondContact CA-O 3.44Å; Y85-P103 WeakPolarHBondContact CD1-O 3.3Å; Y85-P103 WeakPolarHBondContact CE1-O 3.29Å; Y85-T105 HydrophobicContact CD1-CG2 4.17Å; Y85-T105 HydrophobicContact CE1-CG2 3.57Å; Y85-L108 HydrophobicContact CD1-CD1 3.65Å; Y85-L108 HydrophobicContact CD2-CD1 3.75Å; Y85-L108 HydrophobicContact CE1-CD1 4.15Å; Y85-L108 HydrophobicContact CE2-CD1 4.23Å; Y85-L108 HydrophobicContact CG-CD1 3.46Å; Y85-L108 VanDerWaalsContact CG-CD1 3.46Å; Y85-F125 CarbonylContact O-C 3.51Å; Y85-F125 WeakPolarHBondContact O-CA 3.49Å; Y85-V126 PolarHBondContact N-O 2.81Å; Y85-V126 VanDerWaalsContact N-O 3.09Å; Y85-V126 PolarHBondContact O-N 2.71Å; Y85-I128 HydrophobicContact CD2-CD1 3.7Å; Y85-I128 HydrophobicContact CD2-CG1 4.47Å; Y85-I128 HydrophobicContact CE2-CD1 3.97Å
86	G	96.3	Very high	85.9	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.6	-179.2	-175.7	0	0	0	0	0	113.5	S102 W104 N124	G86-S102 PolarHBondContact N-O 3.31Å; G86-W104 PolarHBondContact O-NE1 3.33Å; G86-N124 CarbonylContact C-O 3.56Å; G86-N124 WeakPolarHBondContact CA-O 3.41Å
87	N	94.2	Very high	85.4	Confident	59 Å²	59	46.1 Å²	46.1	32%	0.316	28%	0.283	S	S	.	.	S	Bend	trans	-58.2	150.6	175.3	-72.8	1.5	0	0	0	111.3	G89 L90 W104 N124	N87-G89 PolarHBondContact O-N 3.35Å; N87-L90 WeakPolarHBondContact O-CB 3.31Å; N87-L90 PolarHBondContact O-N 2.86Å; N87-W104 PolarHBondContact OD1-NE1 2.96Å; N87-N124 HydrophobicContact CB-CB 4.41Å; N87-N124 PolarHBondContact N-O 3.14Å; N87-N124 WeakPolarHBondContact ND2-CB 3.43Å
88	A	86.8	Confident	85.2	Confident	104 Å²	104	47.2 Å²	47.2	86%	0.86	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	126.3	-178.5	0	0	0	0	0	111.5	L90	A88-L90 VanDerWaalsContact C-N 3.31Å; A88-L90 PolarHBondContact O-N 3.17Å
89	G	82.7	Confident	85.1	Confident	32 Å²	32	49.1 Å²	49.1	33%	0.33	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	3.3	179.1	0	0	0	0	0	115.4	N87 I91 R236	N87-G89 PolarHBondContact O-N 3.35Å; G89-I91 PolarHBondContact O-N 2.78Å; G89-R236 PolarHBondContact O-NH1 2.88Å
90	L	87.9	Confident	85	Confident	7 Å²	7	52.5 Å²	52.5	4%	0.037	30%	0.299	C	S	.	.			trans	-68.6	125.8	177.4	-170.2	157	0	0	0	110.5	N87 A88 A101 N124 F125 I226	N87-L90 WeakPolarHBondContact O-CB 3.31Å; N87-L90 PolarHBondContact O-N 2.86Å; A88-L90 VanDerWaalsContact C-N 3.31Å; A88-L90 PolarHBondContact O-N 3.17Å; L90-A101 HydrophobicContact CB-CB 4.49Å; L90-A101 HydrophobicContact CD2-CB 4.19Å; L90-A101 PolarHBondContact O-N 3.26Å; L90-N124 HydrophobicContact CD1-CB 4.04Å; L90-N124 VanDerWaalsContact CD1-O 3.29Å; L90-N124 WeakPolarHBondContact CD1-O 3.35Å; L90-F125 HydrophobicContact CD1-CB 4.15Å; L90-F125 HydrophobicContact CD2-CB 4.49Å; L90-F125 HydrophobicContact CD2-CD2 3.72Å; L90-F125 HydrophobicContact CD2-CE2 4.38Å; L90-F125 HydrophobicContact CD2-CG 4.44Å; L90-I226 HydrophobicContact CD1-CB 4.26Å; L90-I226 HydrophobicContact CD2-CG1 4.39Å; L90-I226 HydrophobicContact CD2-CG2 4.48Å
91	I	85.1	Confident	84.9	Confident	52 Å²	52	51.1 Å²	51.1	27%	0.267	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	131.4	175.1	-59.6	175.9	0	0	0	108	G89 R98 R99 L100 R236	G89-I91 PolarHBondContact O-N 2.78Å; I91-R98 HydrophobicContact CG2-CB 3.91Å; I91-R98 HydrophobicContact CG2-CG 4.35Å; I91-R99 VanDerWaalsContact CA-O 3.32Å; I91-R99 WeakPolarHBondContact CA-O 3.37Å; I91-L100 HydrophobicContact CG1-CD1 4.12Å; I91-R236 VanDerWaalsContact CD1-NH2 3.35Å
92	Y	81.7	Confident	84.9	Confident	19 Å²	19	48.1 Å²	48.1	8%	0.075	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	160.6	177	75.8	-82.1	0	0	0	110.2	T84 R98 R99 A101 F125 E147	T84-Y92 HydrophobicContact CG2-CE1 4Å; T84-Y92 HydrophobicContact CG2-CE2 3.95Å; T84-Y92 VanDerWaalsContact CG2-CZ 3.49Å; T84-Y92 VanDerWaalsContact CG2-OH 3.23Å; T84-Y92 WeakPolarHBondContact CG2-OH 3.46Å; T84-Y92 WeakPolarHBondContact OG1-CE1 3.47Å; T84-Y92 VanDerWaalsContact OG1-CZ 3.3Å; T84-Y92 PolarHBondContact OG1-OH 2.85Å; Y92-R98 CarbonylContact O-C 3.58Å; Y92-R98 VanDerWaalsContact O-CA 3.32Å; Y92-R98 WeakPolarHBondContact O-CA 3.39Å; Y92-R99 HydrophobicContact CD1-CB 4.09Å; Y92-R99 WeakPolarHBondContact CD1-O 3.36Å; Y92-R99 HydrophobicContact CE1-CB 3.47Å; Y92-R99 VanDerWaalsContact CE1-CB 3.47Å; Y92-R99 HydrophobicContact CE2-CB 4.3Å; Y92-R99 PolarHBondContact N-O 2.97Å; Y92-R99 PolarHBondContact O-N 2.68Å; Y92-R99 WeakPolarHBondContact OH-CD 3.48Å; Y92-A101 HydrophobicContact CD1-CB 4.43Å; Y92-F125 AromaticContact CD1-CE2 3.52Å; Y92-F125 HydrophobicContact CD1-CE2 3.52Å; Y92-F125 HydrophobicContact CD1-CZ 4.01Å; Y92-F125 HydrophobicContact CD2-CE2 4.24Å; Y92-F125 AromaticContact CD2-CZ 3.89Å; Y92-F125 HydrophobicContact CD2-CZ 3.89Å; Y92-F125 AromaticContact CE1-CE2 3.99Å; Y92-F125 HydrophobicContact CE1-CE2 3.99Å; Y92-F125 HydrophobicContact CE1-CZ 4.31Å; Y92-F125 HydrophobicContact CE2-CZ 4.22Å; Y92-F125 AromaticContact CG-CE2 3.65Å; Y92-F125 HydrophobicContact CG-CE2 3.65Å; Y92-F125 AromaticContact CG-CZ 3.77Å; Y92-F125 HydrophobicContact CG-CZ 3.77Å; Y92-E147 WeakPolarHBondContact CA-OE1 3.41Å; Y92-E147 WeakPolarHBondContact CB-OE1 3.38Å
93	T	79.3	Confident	84.9	Confident	52 Å²	52	52.1 Å²	52.1	32%	0.319	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	111.5	-179.1	-49.4	0	0	0	0	110.1	V97 E147	T93-V97 WeakPolarHBondContact CA-O 3.41Å; T93-E147 WeakPolarHBondContact CB-OE2 3.46Å; T93-E147 VanDerWaalsContact N-CD 3.27Å; T93-E147 PolarHBondContact N-OE1 3.08Å; T93-E147 PolarHBondContact N-OE2 2.8Å; T93-E147 PolarHBondContact OG1-OE2 2.9Å
94	Y	70.6	Confident	85.1	Confident	59 Å²	59	53.6 Å²	53.6	23%	0.231	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	127.7	175.2	-179	-105.8	0	0	0	110.9	Q82 G96 V97	Q82-Y94 PolarHBondContact OE1-OH 2.93Å; Y94-G96 PolarHBondContact O-N 2.79Å; Y94-G96 VanDerWaalsContact O-N 3.15Å; Y94-V97 PolarHBondContact N-O 3.29Å; Y94-V97 PolarHBondContact O-N 2.84Å
95	S	65.8	Low	85.3	Confident	71 Å²	71	53.8 Å²	53.8	50%	0.497	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	33.3	-175.7	-169.9	0	0	0	0	113.6	V97	S95-V97 VanDerWaalsContact C-N 3.32Å
96	G	67.6	Low	85.3	Confident	69 Å²	69	58 Å²	58	71%	0.711	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	1.4	-179.4	0	0	0	0	0	115.4	Y94	Y94-G96 PolarHBondContact O-N 2.79Å; Y94-G96 VanDerWaalsContact O-N 3.15Å
97	V	71.6	Confident	85.4	Confident	74 Å²	74	58.2 Å²	58.2	45%	0.448	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	123.3	178.5	-175.8	0	0	0	0	109.4	T93 Y94 S95 R99	T93-V97 WeakPolarHBondContact CA-O 3.41Å; Y94-V97 PolarHBondContact N-O 3.29Å; Y94-V97 PolarHBondContact O-N 2.84Å; S95-V97 VanDerWaalsContact C-N 3.32Å; V97-R99 HydrophobicContact CG1-CG 4.2Å
98	R	79.6	Confident	85.6	Confident	144 Å²	144	55.4 Å²	55.4	54%	0.543	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	131	172.2	-70.2	-174.3	77	-176.4	3.8	109.9	I91 Y92 E232	I91-R98 HydrophobicContact CG2-CB 3.91Å; I91-R98 HydrophobicContact CG2-CG 4.35Å; Y92-R98 CarbonylContact O-C 3.58Å; Y92-R98 VanDerWaalsContact O-CA 3.32Å; Y92-R98 WeakPolarHBondContact O-CA 3.39Å; R98-E232 IonicContact NH1-OE1 3.41Å; R98-E232 IonicContact NH2-OE1 3.52Å; R98-E232 PolarHBondContact NH2-OE1 2.99Å; R98-E232 IonicContact NH2-OE2 3.08Å; R98-E232 PolarHBondContact NH2-OE2 3.49Å
99	R	81.9	Confident	86.2	Confident	56 Å²	56	54.1 Å²	54.1	21%	0.211	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	143.4	-177.6	-68.1	175.2	177.9	-87.9	-1.6	110.2	E66 I91 Y92 V97	E66-R99 IonicContact OE1-CZ 3.32Å; E66-R99 IonicContact OE1-NH1 2.79Å; E66-R99 PolarHBondContact OE1-NH1 2.94Å; E66-R99 IonicContact OE2-NH1 3.45Å; I91-R99 VanDerWaalsContact CA-O 3.32Å; I91-R99 WeakPolarHBondContact CA-O 3.37Å; Y92-R99 HydrophobicContact CD1-CB 4.09Å; Y92-R99 WeakPolarHBondContact CD1-O 3.36Å; Y92-R99 HydrophobicContact CE1-CB 3.47Å; Y92-R99 VanDerWaalsContact CE1-CB 3.47Å; Y92-R99 HydrophobicContact CE2-CB 4.3Å; Y92-R99 PolarHBondContact N-O 2.97Å; Y92-R99 PolarHBondContact O-N 2.68Å; Y92-R99 WeakPolarHBondContact OH-CD 3.48Å; V97-R99 HydrophobicContact CG1-CG 4.2Å
100	L	86.8	Confident	86.9	Confident	117 Å²	117	55.6 Å²	55.6	61%	0.613	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	131.1	171.4	-171.7	70.9	0	0	0	108.6	I91	I91-L100 HydrophobicContact CG1-CD1 4.12Å
101	A	90.3	Very high	87.5	Confident	6 Å²	6	55.2 Å²	55.2	5%	0.05	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-72.3	140.4	171.7	0	0	0	0	0	110.2	L90 Y92 F125	L90-A101 HydrophobicContact CB-CB 4.49Å; L90-A101 HydrophobicContact CD2-CB 4.19Å; L90-A101 PolarHBondContact O-N 3.26Å; Y92-A101 HydrophobicContact CD1-CB 4.43Å; A101-F125 HydrophobicContact CB-CD2 4.11Å; A101-F125 HydrophobicContact CB-CE2 4.11Å
102	S	94	Very high	88.1	Confident	50 Å²	50	54.4 Å²	54.4	35%	0.35	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	149.1	172.2	-65	0	0	0	0	110.5	T84 Y85 G86	T84-S102 WeakPolarHBondContact O-CB 3.29Å; T84-S102 PolarHBondContact O-N 3.43Å; Y85-S102 CarbonylContact C-O 3.52Å; Y85-S102 WeakPolarHBondContact CA-O 3.44Å; G86-S102 PolarHBondContact N-O 3.31Å
103	P	95.8	Very high	88.9	Confident	99 Å²	99	56.9 Å²	56.9	64%	0.643	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.7	141.1	175.4	28.9	-34.8	0	0	0	110.1	Y85	Y85-P103 WeakPolarHBondContact CD1-O 3.3Å; Y85-P103 WeakPolarHBondContact CE1-O 3.29Å
104	W	97.8	Very high	89.8	Confident	33 Å²	33	54.9 Å²	54.9	13%	0.125	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-48.2	142	178.4	-60.1	110.2	0	0	0	113.3	G86 N87 L108 E109 R112 N124 V126 F223	G86-W104 PolarHBondContact O-NE1 3.33Å; N87-W104 PolarHBondContact OD1-NE1 2.96Å; W104-L108 HydrophobicContact CE3-CB 3.83Å; W104-L108 HydrophobicContact CZ3-CB 4.32Å; W104-E109 HydrophobicContact CB-CG 3.4Å; W104-E109 VanDerWaalsContact CB-CG 3.4Å; W104-E109 HydrophobicContact CG-CG 4Å; W104-R112 VanDerWaalsContact CD1-NH1 3.31Å; W104-R112 VanDerWaalsContact NE1-NH1 3.15Å; W104-N124 WeakPolarHBondContact CZ2-O 3.41Å; W104-V126 HydrophobicContact CE3-CG1 4.2Å; W104-V126 HydrophobicContact CH2-CB 3.93Å; W104-V126 HydrophobicContact CH2-CG1 3.88Å; W104-V126 HydrophobicContact CZ3-CB 3.79Å; W104-V126 HydrophobicContact CZ3-CG1 3.32Å; W104-F223 HydrophobicContact CH2-CD1 4.15Å; W104-F223 HydrophobicContact CH2-CE1 4.08Å; W104-F223 HydrophobicContact CZ3-CD1 4.41Å; W104-F223 AromaticContact CZ3-CE1 3.9Å; W104-F223 HydrophobicContact CZ3-CE1 3.9Å
105	T	97.9	Very high	91.1	Very high	17 Å²	17	52.1 Å²	52.1	10%	0.104	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-91.1	158.7	166.5	76.8	0	0	0	0	109.8	E58 Y85 T107 L108 E109	E58-T105 HydrophobicContact CB-CG2 4.27Å; E58-T105 WeakPolarHBondContact OE2-CB 3.39Å; E58-T105 PolarHBondContact OE2-OG1 3.4Å; Y85-T105 HydrophobicContact CD1-CG2 4.17Å; Y85-T105 HydrophobicContact CE1-CG2 3.57Å; T105-T107 VanDerWaalsContact C-N 3.26Å; T105-T107 PolarHBondContact O-N 2.86Å; T105-L108 HydrophobicContact CG2-CD1 4.16Å; T105-L108 PolarHBondContact O-N 3.36Å; T105-L108 WeakPolarHBondContact OG1-CG 3.41Å; T105-L108 PolarHBondContact OG1-N 2.87Å; T105-E109 WeakPolarHBondContact O-CG 3.15Å; T105-E109 PolarHBondContact O-N 2.85Å
106	P	98.1	Very high	92.6	Very high	98 Å²	98	50.2 Å²	50.2	64%	0.636	29%	0.288	S	S	*	.	H	α-helix	trans	-53.8	-42.4	179.6	-27.1	35.9	0	0	0	113.1	L108 E109 C110	P106-L108 PolarHBondContact O-N 3.26Å; P106-E109 PolarHBondContact O-N 2.78Å; P106-C110 WeakPolarHBondContact O-CB 3.4Å; P106-C110 PolarHBondContact O-N 3.43Å
107	T	98.5	Very high	94.1	Very high	5 Å²	5	53 Å²	53	3%	0.031	29%	0.286	C	S	.	.	H	α-helix	trans	-66.3	-38.6	178.8	-60.3	0	0	0	0	112	L51 Q54 L55 E58 T105 C110 I111	L51-T107 HydrophobicContact CD2-CG2 3.81Å; Q54-T107 HydrophobicContact CB-CG2 3.95Å; Q54-T107 WeakPolarHBondContact CB-OG1 3.48Å; Q54-T107 PolarHBondContact OE1-OG1 3.44Å; L55-T107 HydrophobicContact CD2-CG2 3.79Å; L55-T107 HydrophobicContact CG-CG2 3.79Å; E58-T107 VanDerWaalsContact CD-OG1 3.24Å; E58-T107 PolarHBondContact OE1-OG1 2.95Å; E58-T107 WeakPolarHBondContact OE2-CB 3.24Å; E58-T107 PolarHBondContact OE2-N 2.88Å; E58-T107 PolarHBondContact OE2-OG1 3.04Å; T105-T107 VanDerWaalsContact C-N 3.26Å; T105-T107 PolarHBondContact O-N 2.86Å; T107-C110 PolarHBondContact O-N 2.69Å; T107-I111 HydrophobicContact CG2-CD1 4.22Å; T107-I111 WeakPolarHBondContact O-CG1 3.26Å; T107-I111 PolarHBondContact O-N 2.81Å; T107-I111 VanDerWaalsContact O-N 3.1Å
108	L	98.7	Very high	95.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-68.8	-36.1	176.3	-67.8	172.9	0	0	0	112.5	L55 Y85 W104 T105 P106 R112 I128 L221	L55-L108 HydrophobicContact CD2-CD2 3.58Å; L55-L108 HydrophobicContact CD2-CG 3.93Å; Y85-L108 HydrophobicContact CD1-CD1 3.65Å; Y85-L108 HydrophobicContact CD2-CD1 3.75Å; Y85-L108 HydrophobicContact CE1-CD1 4.15Å; Y85-L108 HydrophobicContact CE2-CD1 4.23Å; Y85-L108 HydrophobicContact CG-CD1 3.46Å; Y85-L108 VanDerWaalsContact CG-CD1 3.46Å; W104-L108 HydrophobicContact CE3-CB 3.83Å; W104-L108 HydrophobicContact CZ3-CB 4.32Å; T105-L108 HydrophobicContact CG2-CD1 4.16Å; T105-L108 PolarHBondContact O-N 3.36Å; T105-L108 WeakPolarHBondContact OG1-CG 3.41Å; T105-L108 PolarHBondContact OG1-N 2.87Å; P106-L108 PolarHBondContact O-N 3.26Å; L108-R112 VanDerWaalsContact O-CB 3.29Å; L108-R112 WeakPolarHBondContact O-CB 2.97Å; L108-R112 PolarHBondContact O-N 2.67Å; L108-I128 HydrophobicContact CD1-CD1 3.89Å; L108-I128 HydrophobicContact CD2-CD1 3.79Å; L108-I128 HydrophobicContact CG-CD1 4.48Å; L108-L221 HydrophobicContact CD2-CD1 4.38Å; L108-L221 HydrophobicContact CD2-CD2 3.63Å
109	E	98.4	Very high	96	Very high	76 Å²	76	45.3 Å²	45.3	36%	0.355	26%	0.258	S	S	.	.	H	α-helix	trans	-65.7	-42.7	174	-65.1	-159.7	107.6	0	0	111.8	W104 T105 P106 I111 R112 N113	W104-E109 HydrophobicContact CB-CG 3.4Å; W104-E109 VanDerWaalsContact CB-CG 3.4Å; W104-E109 HydrophobicContact CG-CG 4Å; T105-E109 WeakPolarHBondContact O-CG 3.15Å; T105-E109 PolarHBondContact O-N 2.85Å; P106-E109 PolarHBondContact O-N 2.78Å; E109-I111 PolarHBondContact O-N 2.71Å; E109-R112 PolarHBondContact O-N 2.84Å; E109-R112 IonicContact OE1-CZ 3.86Å; E109-R112 IonicContact OE1-NH1 3.78Å; E109-R112 PolarHBondContact OE1-NH1 3.03Å; E109-R112 IonicContact OE1-NH2 2.81Å; E109-R112 PolarHBondContact OE1-NH2 2.78Å; E109-N113 WeakPolarHBondContact O-CB 3.24Å; E109-N113 PolarHBondContact O-N 2.84Å; E109-N113 PolarHBondContact O-OD1 2.89Å
110	C	98.4	Very high	96.7	Very high	63 Å²	63	45.8 Å²	45.8	43%	0.426	28%	0.28	S	S	.	.	H	α-helix	trans	-55.5	-51.6	174.8	179.8	0	0	0	0	111.1	P106 T107 R112 N113 A114	P106-C110 WeakPolarHBondContact O-CB 3.4Å; P106-C110 PolarHBondContact O-N 3.43Å; T107-C110 PolarHBondContact O-N 2.69Å; C110-R112 PolarHBondContact O-N 3.12Å; C110-N113 PolarHBondContact O-N 3.38Å; C110-A114 PolarHBondContact O-N 2.85Å
111	I	98.8	Very high	97.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-64.3	-42.2	179.3	-61.8	169.2	0	0	0	111.2	F43 L51 L55 T107 E109 N113 A114 V115 V157 L159 L221 F223	F43-I111 HydrophobicContact CE2-CG2 4.16Å; F43-I111 HydrophobicContact CZ-CB 4.47Å; F43-I111 HydrophobicContact CZ-CG1 4.27Å; F43-I111 HydrophobicContact CZ-CG2 4.13Å; L51-I111 HydrophobicContact CB-CD1 4.35Å; L51-I111 HydrophobicContact CD1-CD1 4.31Å; L51-I111 HydrophobicContact CD1-CG1 4.01Å; L51-I111 HydrophobicContact CD2-CD1 4.12Å; L51-I111 HydrophobicContact CD2-CG1 3.88Å; L51-I111 HydrophobicContact CG-CD1 4.5Å; L51-I111 HydrophobicContact CG-CG1 4.45Å; L55-I111 HydrophobicContact CD1-CD1 3.86Å; T107-I111 HydrophobicContact CG2-CD1 4.22Å; T107-I111 WeakPolarHBondContact O-CG1 3.26Å; T107-I111 PolarHBondContact O-N 2.81Å; T107-I111 VanDerWaalsContact O-N 3.1Å; E109-I111 PolarHBondContact O-N 2.71Å; I111-N113 VanDerWaalsContact C-N 3.31Å; I111-N113 PolarHBondContact O-N 3.12Å; I111-A114 PolarHBondContact O-N 2.98Å; I111-V115 HydrophobicContact CG2-CG2 4.37Å; I111-V115 VanDerWaalsContact O-CG2 3.27Å; I111-V115 WeakPolarHBondContact O-CG2 3.39Å; I111-V115 PolarHBondContact O-N 2.98Å; I111-V157 HydrophobicContact CG2-CB 4.4Å; I111-V157 HydrophobicContact CG2-CG1 4.2Å; I111-V157 HydrophobicContact CG2-CG2 4.15Å; I111-L159 HydrophobicContact CD1-CD1 4.18Å; I111-L221 HydrophobicContact CB-CD1 4.39Å; I111-L221 HydrophobicContact CD1-CD1 3.44Å; I111-L221 VanDerWaalsContact CD1-CD1 3.44Å; I111-L221 HydrophobicContact CG1-CD1 4.48Å; I111-L221 HydrophobicContact CG2-CD1 3.86Å; I111-F223 HydrophobicContact CB-CZ 4.18Å; I111-F223 HydrophobicContact CG2-CE2 3.68Å; I111-F223 HydrophobicContact CG2-CZ 3.73Å
112	R	98.7	Very high	97.5	Very high	34 Å²	34	52.1 Å²	52.1	13%	0.128	30%	0.3	C	S	.	.	H	α-helix	trans	-58.6	-44.2	177.1	-177.2	-163.4	66.1	-155.4	-6.7	111.4	W104 L108 E109 C110 V115 T116 F123 F223	W104-R112 VanDerWaalsContact CD1-NH1 3.31Å; W104-R112 VanDerWaalsContact NE1-NH1 3.15Å; L108-R112 VanDerWaalsContact O-CB 3.29Å; L108-R112 WeakPolarHBondContact O-CB 2.97Å; L108-R112 PolarHBondContact O-N 2.67Å; E109-R112 PolarHBondContact O-N 2.84Å; E109-R112 IonicContact OE1-CZ 3.86Å; E109-R112 IonicContact OE1-NH1 3.78Å; E109-R112 PolarHBondContact OE1-NH1 3.03Å; E109-R112 IonicContact OE1-NH2 2.81Å; E109-R112 PolarHBondContact OE1-NH2 2.78Å; C110-R112 PolarHBondContact O-N 3.12Å; R112-V115 PolarHBondContact O-N 2.79Å; R112-T116 WeakPolarHBondContact O-CB 3.46Å; R112-T116 PolarHBondContact O-N 2.77Å; R112-T116 PolarHBondContact O-OG1 2.84Å; R112-F123 WeakPolarHBondContact CD-O 3.34Å; R112-F223 HydrophobicContact CB-CD1 4.31Å; R112-F223 HydrophobicContact CB-CE1 3.7Å; R112-F223 HydrophobicContact CB-CZ 4.29Å; R112-F223 HydrophobicContact CG-CD1 4.3Å; R112-F223 HydrophobicContact CG-CE1 4.17Å
113	N	98.3	Very high	97.6	Very high	72 Å²	72	50.3 Å²	50.3	39%	0.385	29%	0.286	S	S	.	.	H	α-helix	trans	-66.9	-46.6	-179.6	-65.3	-4.3	0	0	0	110.2	E109 C110 I111 V115 T116 D117	E109-N113 WeakPolarHBondContact O-CB 3.24Å; E109-N113 PolarHBondContact O-N 2.84Å; E109-N113 PolarHBondContact O-OD1 2.89Å; C110-N113 PolarHBondContact O-N 3.38Å; I111-N113 VanDerWaalsContact C-N 3.31Å; I111-N113 PolarHBondContact O-N 3.12Å; N113-V115 VanDerWaalsContact C-N 3.31Å; N113-V115 PolarHBondContact O-N 3.12Å; N113-T116 CarbonylContact O-C 3.55Å; N113-T116 WeakPolarHBondContact O-CA 3.45Å; N113-T116 VanDerWaalsContact O-CB 3.3Å; N113-T116 WeakPolarHBondContact O-CB 3.41Å; N113-T116 PolarHBondContact O-N 3.02Å; N113-D117 VanDerWaalsContact O-CG 3.27Å; N113-D117 PolarHBondContact O-N 3.2Å
114	A	98.3	Very high	97.7	Very high	10 Å²	10	46.3 Å²	46.3	8%	0.083	26%	0.259	C	S	.	.	H	α-helix	trans	-57.8	-40.8	175	0	0	0	0	0	112.9	F43 C110 I111 T116 D117 A118	F43-A114 HydrophobicContact CE1-CB 3.85Å; F43-A114 HydrophobicContact CZ-CB 3.84Å; C110-A114 PolarHBondContact O-N 2.85Å; I111-A114 PolarHBondContact O-N 2.98Å; A114-T116 VanDerWaalsContact C-N 3.33Å; A114-D117 PolarHBondContact O-N 2.85Å; A114-A118 VanDerWaalsContact O-CB 3.3Å; A114-A118 WeakPolarHBondContact O-CB 3.15Å; A114-A118 PolarHBondContact O-N 2.93Å
115	V	98.4	Very high	97.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.7	-39	173.4	172.8	0	0	0	0	111.1	L42 I111 R112 N113 T119 F123 A155 V157 L193 F223	L42-V115 HydrophobicContact CD2-CG2 3.71Å; I111-V115 HydrophobicContact CG2-CG2 4.37Å; I111-V115 VanDerWaalsContact O-CG2 3.27Å; I111-V115 WeakPolarHBondContact O-CG2 3.39Å; I111-V115 PolarHBondContact O-N 2.98Å; R112-V115 PolarHBondContact O-N 2.79Å; N113-V115 VanDerWaalsContact C-N 3.31Å; N113-V115 PolarHBondContact O-N 3.12Å; V115-T119 HydrophobicContact CG1-CG2 4.49Å; V115-T119 WeakPolarHBondContact O-CB 3.38Å; V115-T119 VanDerWaalsContact O-CG2 3.3Å; V115-T119 WeakPolarHBondContact O-CG2 3.43Å; V115-T119 PolarHBondContact O-N 2.95Å; V115-T119 VanDerWaalsContact O-N 3.14Å; V115-T119 PolarHBondContact O-OG1 3.01Å; V115-F123 HydrophobicContact CG1-CD2 4.08Å; V115-F123 HydrophobicContact CG1-CE2 3.6Å; V115-F123 HydrophobicContact CG1-CZ 4.29Å; V115-A155 HydrophobicContact CG1-CB 3.61Å; V115-V157 HydrophobicContact CG2-CG2 3.53Å; V115-L193 HydrophobicContact CG1-CD1 4.47Å; V115-L193 HydrophobicContact CG1-CD2 4.49Å; V115-L193 HydrophobicContact CG2-CD1 4.44Å; V115-F223 HydrophobicContact CG2-CD2 4.43Å; V115-F223 HydrophobicContact CG2-CE2 4.38Å
116	T	97.8	Very high	97.7	Very high	32 Å²	32	44.1 Å²	44.1	20%	0.196	25%	0.249	C	C	.	.	H	α-helix	trans	-64.7	-45.3	177.9	-59	0	0	0	0	110.9	R112 N113 A114 T119 G120 R121 Q122	R112-T116 WeakPolarHBondContact O-CB 3.46Å; R112-T116 PolarHBondContact O-N 2.77Å; R112-T116 PolarHBondContact O-OG1 2.84Å; N113-T116 CarbonylContact O-C 3.55Å; N113-T116 WeakPolarHBondContact O-CA 3.45Å; N113-T116 VanDerWaalsContact O-CB 3.3Å; N113-T116 WeakPolarHBondContact O-CB 3.41Å; N113-T116 PolarHBondContact O-N 3.02Å; A114-T116 VanDerWaalsContact C-N 3.33Å; T116-T119 PolarHBondContact O-N 2.75Å; T116-G120 VanDerWaalsContact O-CA 3.26Å; T116-G120 WeakPolarHBondContact O-CA 3.36Å; T116-G120 PolarHBondContact O-N 2.84Å; T116-R121 WeakPolarHBondContact CA-O 3.48Å; T116-R121 WeakPolarHBondContact CG2-O 3.46Å; T116-R121 PolarHBondContact OG1-O 2.88Å; T116-Q122 HydrophobicContact CG2-CG 4.25Å
117	D	97.2	Very high	97.6	Very high	127 Å²	127	40.1 Å²	40.1	68%	0.679	22%	0.222	S	C	*	.	H	α-helix	trans	-65.9	-42.1	180	-62.3	-23.2	0	0	0	111.3	N113 A114 T119	N113-D117 VanDerWaalsContact O-CG 3.27Å; N113-D117 PolarHBondContact O-N 3.2Å; A114-D117 PolarHBondContact O-N 2.85Å; D117-T119 VanDerWaalsContact C-N 3.32Å; D117-T119 PolarHBondContact O-N 3.45Å
118	A	96.5	Very high	97.5	Very high	27 Å²	27	39.9 Å²	39.9	22%	0.223	22%	0.221	C	C	.	.	H	α-helix	trans	-66.7	-29.8	178.5	0	0	0	0	0	113.7	I25 W27 L42 A114	I25-A118 HydrophobicContact CD1-CB 3.63Å; W27-A118 HydrophobicContact CZ2-CB 4.33Å; L42-A118 HydrophobicContact CD1-CB 3.78Å; A114-A118 VanDerWaalsContact O-CB 3.3Å; A114-A118 WeakPolarHBondContact O-CB 3.15Å; A114-A118 PolarHBondContact O-N 2.93Å
119	T	96	Very high	97.5	Very high	29 Å²	29	39.9 Å²	39.9	18%	0.178	22%	0.221	C	C	.	.	H	α-helix	trans	-115.2	-16.5	-169.3	65.5	0	0	0	0	114.4	W27 V115 T116 D117 R121 L193 L195	W27-T119 HydrophobicContact CH2-CG2 4.04Å; W27-T119 HydrophobicContact CZ2-CG2 4.45Å; V115-T119 HydrophobicContact CG1-CG2 4.49Å; V115-T119 WeakPolarHBondContact O-CB 3.38Å; V115-T119 VanDerWaalsContact O-CG2 3.3Å; V115-T119 WeakPolarHBondContact O-CG2 3.43Å; V115-T119 PolarHBondContact O-N 2.95Å; V115-T119 VanDerWaalsContact O-N 3.14Å; V115-T119 PolarHBondContact O-OG1 3.01Å; T116-T119 PolarHBondContact O-N 2.75Å; D117-T119 VanDerWaalsContact C-N 3.32Å; D117-T119 PolarHBondContact O-N 3.45Å; T119-R121 PolarHBondContact O-N 2.86Å; T119-R121 WeakPolarHBondContact OG1-CB 3.38Å; T119-R121 PolarHBondContact OG1-N 2.95Å; T119-L193 HydrophobicContact CG2-CD2 4.02Å; T119-L195 HydrophobicContact CG2-CD1 4.26Å; T119-L195 HydrophobicContact CG2-CD2 4.22Å
120	G	96.3	Very high	97.5	Very high	66 Å²	66	38.3 Å²	38.3	68%	0.68	21%	0.212	S	C	*	.	S	Bend	trans	65.6	13.7	-167.7	0	0	0	0	0	114	T116	T116-G120 VanDerWaalsContact O-CA 3.26Å; T116-G120 WeakPolarHBondContact O-CA 3.36Å; T116-G120 PolarHBondContact O-N 2.84Å
121	R	96.8	Very high	97.5	Very high	126 Å²	126	35.5 Å²	35.5	48%	0.475	19%	0.192	S	C	.	.			trans	-109.3	138.2	-177	-57	-60.2	-175.4	173.8	1	111.1	T116 T119 F123 P153	T116-R121 WeakPolarHBondContact CA-O 3.48Å; T116-R121 WeakPolarHBondContact CG2-O 3.46Å; T116-R121 PolarHBondContact OG1-O 2.88Å; T119-R121 PolarHBondContact O-N 2.86Å; T119-R121 WeakPolarHBondContact OG1-CB 3.38Å; T119-R121 PolarHBondContact OG1-N 2.95Å; R121-F123 HydrophobicContact CB-CE2 3.79Å; R121-F123 HydrophobicContact CB-CZ 3.82Å; R121-F123 WeakPolarHBondContact O-CD2 3.39Å; R121-F123 VanDerWaalsContact O-CE2 3.27Å; R121-F123 WeakPolarHBondContact O-CE2 3.42Å; R121-P153 HydrophobicContact CG-CG 3.86Å
122	Q	96.3	Very high	97.5	Very high	131 Å²	131	40.5 Å²	40.5	61%	0.612	21%	0.214	S	C	*	.			trans	-99.3	139.4	178.6	-63.1	179.9	23.6	0	0	111.6	T116	T116-Q122 HydrophobicContact CG2-CG 4.25Å
123	F	97.1	Very high	97.5	Very high	11 Å²	11	40.1 Å²	40.1	5%	0.048	22%	0.215	C	C	.	.			trans	-126.3	134.4	-179.6	-56.2	-87	0	0	0	109.8	R112 V115 R121 P153 A155 F223	R112-F123 WeakPolarHBondContact CD-O 3.34Å; V115-F123 HydrophobicContact CG1-CD2 4.08Å; V115-F123 HydrophobicContact CG1-CE2 3.6Å; V115-F123 HydrophobicContact CG1-CZ 4.29Å; R121-F123 HydrophobicContact CB-CE2 3.79Å; R121-F123 HydrophobicContact CB-CZ 3.82Å; R121-F123 WeakPolarHBondContact O-CD2 3.39Å; R121-F123 VanDerWaalsContact O-CE2 3.27Å; R121-F123 WeakPolarHBondContact O-CE2 3.42Å; F123-P153 WeakPolarHBondContact CE1-O 3.18Å; F123-A155 HydrophobicContact CE1-CB 3.87Å; F123-A155 HydrophobicContact CE2-CB 4.1Å; F123-A155 HydrophobicContact CZ-CB 3.54Å; F123-F223 HydrophobicContact CB-CB 3.93Å; F123-F223 HydrophobicContact CB-CD1 4.37Å; F123-F223 HydrophobicContact CD1-CB 3.74Å; F123-F223 HydrophobicContact CD2-CB 4.31Å; F123-F223 HydrophobicContact CE1-CB 4.32Å; F123-F223 HydrophobicContact CG-CB 3.72Å
124	N	97.2	Very high	97.4	Very high	15 Å²	15	36.8 Å²	36.8	8%	0.08	20%	0.197	C	C	.	.	S	Bend	trans	-110.8	-1.6	-179.9	62.6	-8.2	0	0	0	113	G86 N87 L90 W104 R224 R225 I226 E228	G86-N124 CarbonylContact C-O 3.56Å; G86-N124 WeakPolarHBondContact CA-O 3.41Å; N87-N124 HydrophobicContact CB-CB 4.41Å; N87-N124 PolarHBondContact N-O 3.14Å; N87-N124 WeakPolarHBondContact ND2-CB 3.43Å; L90-N124 HydrophobicContact CD1-CB 4.04Å; L90-N124 VanDerWaalsContact CD1-O 3.29Å; L90-N124 WeakPolarHBondContact CD1-O 3.35Å; W104-N124 WeakPolarHBondContact CZ2-O 3.41Å; N124-R224 PolarHBondContact N-O 2.82Å; N124-R224 PolarHBondContact OD1-O 3.24Å; N124-R225 WeakPolarHBondContact OD1-CA 3.36Å; N124-I226 PolarHBondContact ND2-O 2.87Å; N124-I226 PolarHBondContact OD1-N 2.9Å; N124-E228 PolarHBondContact ND2-OE1 3.09Å
125	F	97.4	Very high	97.4	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.018	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	148.3	-177.3	179	-98.1	0	0	0	111.6	T84 Y85 L90 Y92 A101 L127 F223 R224 I226	T84-F125 HydrophobicContact CG2-CE2 4.11Å; T84-F125 HydrophobicContact CG2-CZ 3.61Å; Y85-F125 CarbonylContact O-C 3.51Å; Y85-F125 WeakPolarHBondContact O-CA 3.49Å; L90-F125 HydrophobicContact CD1-CB 4.15Å; L90-F125 HydrophobicContact CD2-CB 4.49Å; L90-F125 HydrophobicContact CD2-CD2 3.72Å; L90-F125 HydrophobicContact CD2-CE2 4.38Å; L90-F125 HydrophobicContact CD2-CG 4.44Å; Y92-F125 AromaticContact CD1-CE2 3.52Å; Y92-F125 HydrophobicContact CD1-CE2 3.52Å; Y92-F125 HydrophobicContact CD1-CZ 4.01Å; Y92-F125 HydrophobicContact CD2-CE2 4.24Å; Y92-F125 AromaticContact CD2-CZ 3.89Å; Y92-F125 HydrophobicContact CD2-CZ 3.89Å; Y92-F125 AromaticContact CE1-CE2 3.99Å; Y92-F125 HydrophobicContact CE1-CE2 3.99Å; Y92-F125 HydrophobicContact CE1-CZ 4.31Å; Y92-F125 HydrophobicContact CE2-CZ 4.22Å; Y92-F125 AromaticContact CG-CE2 3.65Å; Y92-F125 HydrophobicContact CG-CE2 3.65Å; Y92-F125 AromaticContact CG-CZ 3.77Å; Y92-F125 HydrophobicContact CG-CZ 3.77Å; A101-F125 HydrophobicContact CB-CD2 4.11Å; A101-F125 HydrophobicContact CB-CE2 4.11Å; F125-L127 HydrophobicContact CE1-CB 4.06Å; F125-F223 CarbonylContact O-C 3.54Å; F125-F223 WeakPolarHBondContact O-CA 3.41Å; F125-R224 HydrophobicContact CD1-CB 4.2Å; F125-R224 HydrophobicContact CD1-CG 4.47Å; F125-R224 PolarHBondContact N-O 3.38Å; F125-R224 PolarHBondContact O-N 2.7Å; F125-I226 HydrophobicContact CB-CG1 3.6Å; F125-I226 HydrophobicContact CD1-CD1 4.35Å; F125-I226 HydrophobicContact CD1-CG1 4.2Å; F125-I226 HydrophobicContact CG-CD1 4.48Å; F125-I226 HydrophobicContact CG-CG1 3.88Å
126	V	97.9	Very high	97.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	133.4	169	69.9	0	0	0	0	110.9	T84 Y85 W104 I128 L221 T222 F223	T84-V126 WeakPolarHBondContact CA-O 3.23Å; Y85-V126 PolarHBondContact N-O 2.81Å; Y85-V126 VanDerWaalsContact N-O 3.09Å; Y85-V126 PolarHBondContact O-N 2.71Å; W104-V126 HydrophobicContact CE3-CG1 4.2Å; W104-V126 HydrophobicContact CH2-CB 3.93Å; W104-V126 HydrophobicContact CH2-CG1 3.88Å; W104-V126 HydrophobicContact CZ3-CB 3.79Å; W104-V126 HydrophobicContact CZ3-CG1 3.32Å; V126-I128 HydrophobicContact CG1-CD1 4.47Å; V126-I128 HydrophobicContact CG1-CG1 4.17Å; V126-I128 HydrophobicContact CG2-CG1 4.34Å; V126-L221 HydrophobicContact CG2-CB 3.88Å; V126-L221 HydrophobicContact CG2-CD2 4.31Å; V126-T222 WeakPolarHBondContact CA-O 3.43Å; V126-F223 HydrophobicContact CB-CD1 3.76Å; V126-F223 HydrophobicContact CB-CE1 3.85Å; V126-F223 HydrophobicContact CB-CG 4.38Å; V126-F223 HydrophobicContact CG1-CE1 4.5Å; V126-F223 HydrophobicContact CG2-CD1 3.86Å; V126-F223 HydrophobicContact CG2-CD2 4.29Å; V126-F223 HydrophobicContact CG2-CE1 3.85Å; V126-F223 HydrophobicContact CG2-CE2 4.29Å; V126-F223 HydrophobicContact CG2-CG 4.08Å; V126-F223 HydrophobicContact CG2-CZ 4.08Å
127	L	95.9	Very high	97.3	Very high	14 Å²	14	44.2 Å²	44.2	7%	0.073	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	119.1	163.5	173.8	64	0	0	0	109.2	T84 F125 T222	T84-L127 HydrophobicContact CG2-CD1 3.65Å; F125-L127 HydrophobicContact CE1-CB 4.06Å; L127-T222 PolarHBondContact N-O 3.25Å; L127-T222 PolarHBondContact O-N 3.35Å
128	I	98.1	Very high	97.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	131.2	177.9	-47.6	-174.6	0	0	0	108.7	V59 Y61 Q82 A83 Y85 L108 V126 I219 N220 L221	V59-I128 HydrophobicContact CG1-CD1 3.9Å; V59-I128 HydrophobicContact CG1-CG2 4.37Å; V59-I128 HydrophobicContact CG2-CD1 3.8Å; Y61-I128 HydrophobicContact CE1-CG2 4.05Å; Q82-I128 VanDerWaalsContact CA-O 3.23Å; Q82-I128 WeakPolarHBondContact CA-O 3.44Å; A83-I128 HydrophobicContact CB-CB 4.2Å; A83-I128 HydrophobicContact CB-CD1 4.45Å; A83-I128 PolarHBondContact N-O 3.1Å; A83-I128 VanDerWaalsContact N-O 3.1Å; A83-I128 PolarHBondContact O-N 2.86Å; Y85-I128 HydrophobicContact CD2-CD1 3.7Å; Y85-I128 HydrophobicContact CD2-CG1 4.47Å; Y85-I128 HydrophobicContact CE2-CD1 3.97Å; L108-I128 HydrophobicContact CD1-CD1 3.89Å; L108-I128 HydrophobicContact CD2-CD1 3.79Å; L108-I128 HydrophobicContact CG-CD1 4.48Å; V126-I128 HydrophobicContact CG1-CD1 4.47Å; V126-I128 HydrophobicContact CG1-CG1 4.17Å; V126-I128 HydrophobicContact CG2-CG1 4.34Å; I128-I219 HydrophobicContact CG2-CG2 3.9Å; I128-N220 CarbonylContact C-O 3.57Å; I128-N220 WeakPolarHBondContact CA-O 3.27Å; I128-L221 HydrophobicContact CB-CD2 4.29Å; I128-L221 HydrophobicContact CD1-CD2 3.86Å; I128-L221 HydrophobicContact CG1-CD2 3.69Å; I128-L221 HydrophobicContact CG2-CD2 3.94Å
129	N	98.1	Very high	97.1	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	121	171.2	-68.2	-86.3	0	0	0	109.1	R80 K81 Q82 Y131 M138 N220	R80-N129 WeakPolarHBondContact CD-OD1 3.09Å; R80-N129 PolarHBondContact NE-OD1 3.43Å; K81-N129 WeakPolarHBondContact O-CA 3.46Å; Q82-N129 WeakPolarHBondContact CG-OD1 3.31Å; Q82-N129 PolarHBondContact NE2-OD1 2.8Å; N129-Y131 HydrophobicContact CB-CE2 3.6Å; N129-M138 VanDerWaalsContact OD1-CE 3.25Å; N129-M138 WeakPolarHBondContact OD1-CE 3.28Å; N129-N220 HydrophobicContact CB-CB 4.37Å; N129-N220 PolarHBondContact N-O 3.2Å; N129-N220 PolarHBondContact O-N 3.3Å
130	R	98.4	Very high	97	Very high	42 Å²	42	42 Å²	42	16%	0.158	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	120	173	-178.6	-171.9	-174.9	-74	1.8	110.3	E56 Y61 R80 K81 R218 I219	E56-R130 VanDerWaalsContact CD-NE 3.33Å; E56-R130 WeakPolarHBondContact OE1-CD 3.44Å; E56-R130 IonicContact OE1-CZ 2.72Å; E56-R130 IonicContact OE1-NE 2.84Å; E56-R130 PolarHBondContact OE1-NE 3.23Å; E56-R130 IonicContact OE1-NH2 3.24Å; E56-R130 IonicContact OE2-CZ 3.26Å; E56-R130 IonicContact OE2-NE 3.54Å; E56-R130 PolarHBondContact OE2-NE 3.46Å; E56-R130 VanDerWaalsContact OE2-NE 3.12Å; E56-R130 IonicContact OE2-NH2 3.43Å; E56-R130 PolarHBondContact OE2-NH2 2.8Å; Y61-R130 HydrophobicContact CD1-CB 4.37Å; Y61-R130 HydrophobicContact CE1-CB 3.46Å; Y61-R130 VanDerWaalsContact CE1-CB 3.46Å; Y61-R130 HydrophobicContact CE2-CB 4.38Å; Y61-R130 VanDerWaalsContact CZ-CB 3.49Å; Y61-R130 WeakPolarHBondContact OH-CB 3.38Å; R80-R130 WeakPolarHBondContact CB-O 3.34Å; K81-R130 HydrophobicContact CB-CB 4.26Å; K81-R130 PolarHBondContact N-O 2.85Å; K81-R130 PolarHBondContact O-N 2.89Å; R130-R218 WeakPolarHBondContact CA-O 3.44Å; R130-I219 HydrophobicContact CB-CG1 4.36Å; R130-I219 HydrophobicContact CG-CG1 4.1Å
131	Y	98.4	Very high	96.9	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.016	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	117.2	175.9	-54.1	-92.6	0	0	0	107	R80 N129 D133 D136 M138 L208 P217 R218 N220	R80-Y131 HydrophobicContact CB-CD1 4.12Å; R80-Y131 HydrophobicContact CB-CE1 4.21Å; R80-Y131 VanDerWaalsContact CD-CE1 3.49Å; R80-Y131 HydrophobicContact CG-CE1 4.45Å; N129-Y131 HydrophobicContact CB-CE2 3.6Å; Y131-D133 VanDerWaalsContact C-N 3.27Å; Y131-D133 PolarHBondContact O-N 2.8Å; Y131-D136 HydrophobicContact CD1-CB 3.91Å; Y131-D136 HydrophobicContact CG-CB 4.39Å; Y131-M138 HydrophobicContact CE1-CB 4.44Å; Y131-L208 HydrophobicContact CD1-CD2 3.75Å; Y131-L208 HydrophobicContact CD2-CD2 4Å; Y131-L208 HydrophobicContact CE1-CD2 3.5Å; Y131-L208 HydrophobicContact CE2-CD2 3.78Å; Y131-L208 HydrophobicContact CG-CD2 4Å; Y131-P217 CarbonylContact O-C 3.54Å; Y131-P217 VanDerWaalsContact O-CA 3.24Å; Y131-P217 WeakPolarHBondContact O-CA 3.47Å; Y131-R218 HydrophobicContact CD2-CB 4.41Å; Y131-R218 HydrophobicContact CD2-CG 4.4Å; Y131-R218 PolarHBondContact N-O 2.92Å; Y131-R218 PolarHBondContact O-N 2.72Å; Y131-N220 HydrophobicContact CE2-CB 4.16Å
132	K	98.1	Very high	96.7	Very high	106 Å²	106	37.7 Å²	37.7	46%	0.461	19%	0.185	S	C	.	.	S	Bend	trans	-66.6	-33.2	-178	77.5	-165.7	177	-177.7	0	112.3	D136 P217	K132-D136 VanDerWaalsContact CE-OD1 3.28Å; K132-D136 WeakPolarHBondContact CE-OD1 3.39Å; K132-D136 WeakPolarHBondContact CG-OD2 3.34Å; K132-D136 PolarHBondContact N-OD2 3Å; K132-D136 IonicContact NZ-OD1 3.78Å; K132-P217 WeakPolarHBondContact O-CA 3.33Å
133	D	98.3	Very high	96.4	Very high	26 Å²	26	32 Å²	32	14%	0.139	16%	0.159	C	C	.	.	S	Bend	trans	-160.9	-169.8	-175.6	64.9	15.6	0	0	0	109.4	Y131 Q135 D136 R163	Y131-D133 VanDerWaalsContact C-N 3.27Å; Y131-D133 PolarHBondContact O-N 2.8Å; D133-Q135 VanDerWaalsContact C-N 3.28Å; D133-Q135 PolarHBondContact O-N 2.94Å; D133-Q135 WeakPolarHBondContact OD1-CA 3.47Å; D133-Q135 VanDerWaalsContact OD1-CB 3.22Å; D133-Q135 WeakPolarHBondContact OD1-CB 3.22Å; D133-Q135 PolarHBondContact OD1-N 3.12Å; D133-Q135 PolarHBondContact OD2-NE2 3.24Å; D133-D136 PolarHBondContact OD1-N 3.39Å; D133-R163 PolarHBondContact O-NH1 3.29Å; D133-R163 VanDerWaalsContact O-NH1 3.12Å
134	G	97.7	Very high	95.6	Very high	1 Å²	1	36 Å²	36	1%	0.01	18%	0.181	C	C	.	.	S	Bend	trans	-74.7	-5.4	176.8	0	0	0	0	0	116.1	V210 R211 V214	G134-V210 CarbonylContact O-C 3.48Å; G134-V210 WeakPolarHBondContact O-CA 3.45Å; G134-V210 WeakPolarHBondContact O-CG1 3.4Å; G134-R211 VanDerWaalsContact CA-O 3.31Å; G134-R211 WeakPolarHBondContact CA-O 3.46Å; G134-R211 PolarHBondContact O-N 2.68Å; G134-V214 WeakPolarHBondContact CA-O 3.49Å; G134-V214 PolarHBondContact N-O 3.28Å
135	Q	97.7	Very high	94.9	Very high	116 Å²	116	37.7 Å²	37.7	54%	0.542	19%	0.188	S	C	.	.	S	Bend	trans	-82.4	-34.8	173	-56.5	-177.3	89.9	0	0	111.1	D133 H137	D133-Q135 VanDerWaalsContact C-N 3.28Å; D133-Q135 PolarHBondContact O-N 2.94Å; D133-Q135 WeakPolarHBondContact OD1-CA 3.47Å; D133-Q135 VanDerWaalsContact OD1-CB 3.22Å; D133-Q135 WeakPolarHBondContact OD1-CB 3.22Å; D133-Q135 PolarHBondContact OD1-N 3.12Å; D133-Q135 PolarHBondContact OD2-NE2 3.24Å; Q135-H137 PolarHBondContact O-ND1 3.24Å
136	D	97.8	Very high	94.3	Very high	17 Å²	17	47.4 Å²	47.4	9%	0.091	23%	0.23	C	C	.	.			trans	-64	135.8	169.1	-75	6.8	0	0	0	109.7	P79 R80 Y131 K132 D133 R163	P79-D136 WeakPolarHBondContact O-CA 3.3Å; P79-D136 WeakPolarHBondContact O-CB 3.45Å; R80-D136 HydrophobicContact CB-CB 4.44Å; Y131-D136 HydrophobicContact CD1-CB 3.91Å; Y131-D136 HydrophobicContact CG-CB 4.39Å; K132-D136 VanDerWaalsContact CE-OD1 3.28Å; K132-D136 WeakPolarHBondContact CE-OD1 3.39Å; K132-D136 WeakPolarHBondContact CG-OD2 3.34Å; K132-D136 PolarHBondContact N-OD2 3Å; K132-D136 IonicContact NZ-OD1 3.78Å; D133-D136 PolarHBondContact OD1-N 3.39Å; D136-R163 PolarHBondContact O-NH1 3.1Å; D136-R163 PolarHBondContact O-NH2 3.29Å
137	H	96.6	Very high	93.9	Very high	66 Å²	66	49.2 Å²	49.2	31%	0.306	24%	0.239	S	C	.	.			trans	-155.7	171.3	-170	65.8	-81.6	0	0	0	112.7	P79 R80 Q135 L208 V210	P79-H137 PolarHBondContact O-N 2.88Å; R80-H137 PolarHBondContact NH1-O 3.03Å; Q135-H137 PolarHBondContact O-ND1 3.24Å; H137-L208 WeakPolarHBondContact CA-O 3.33Å; H137-L208 VanDerWaalsContact CB-O 3.23Å; H137-L208 WeakPolarHBondContact CB-O 3.35Å; H137-V210 HydrophobicContact CB-CG2 3.83Å
138	M	94.9	Very high	93.6	Very high	22 Å²	22	49.5 Å²	49.5	11%	0.108	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	118.4	173	-170.6	-179.1	-95.1	0	0	107.9	N129 Y131 H141 S207 L208	N129-M138 VanDerWaalsContact OD1-CE 3.25Å; N129-M138 WeakPolarHBondContact OD1-CE 3.28Å; Y131-M138 HydrophobicContact CE1-CB 4.44Å; M138-H141 VanDerWaalsContact CG-CE1 3.5Å; M138-H141 WeakPolarHBondContact CG-CE1 3.23Å; M138-H141 PolarHBondContact SD-CE1 2.96Å; M138-H141 PolarHBondContact SD-NE2 3.23Å; M138-S207 WeakPolarHBondContact O-CA 3.35Å; M138-S207 WeakPolarHBondContact O-CB 3.21Å; M138-L208 HydrophobicContact CB-CB 4.26Å; M138-L208 PolarHBondContact N-O 2.85Å; M138-L208 VanDerWaalsContact N-O 3.07Å; M138-L208 PolarHBondContact O-N 2.69Å
139	G	94.2	Very high	93.3	Very high	47 Å²	47	50.8 Å²	50.8	49%	0.485	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	172.9	179.3	0	0	0	0	0	112.3	H141	G139-H141 PolarHBondContact O-N 2.85Å; G139-H141 VanDerWaalsContact O-N 3.16Å; G139-H141 PolarHBondContact O-ND1 3.12Å
140	E	94.1	Very high	92.9	Very high	68 Å²	68	55.6 Å²	55.6	32%	0.318	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	118.1	176	-68.2	-179	177.5	0	0	111.3	R168 R173 Y205 H206	E140-R168 VanDerWaalsContact OE1-CD 3.31Å; E140-R168 WeakPolarHBondContact OE1-CD 3.41Å; E140-R168 IonicContact OE1-CZ 3.12Å; E140-R168 IonicContact OE1-NE 2.71Å; E140-R168 PolarHBondContact OE1-NE 2.95Å; E140-R168 IonicContact OE1-NH2 2.7Å; E140-R173 IonicContact OE2-CZ 3.88Å; E140-R173 VanDerWaalsContact OE2-CZ 3.24Å; E140-R173 IonicContact OE2-NE 3.3Å; E140-R173 PolarHBondContact OE2-NE 2.79Å; E140-R173 IonicContact OE2-NH2 3.85Å; E140-R173 PolarHBondContact OE2-NH2 3.02Å; E140-Y205 HydrophobicContact CB-CD1 4.43Å; E140-H206 WeakPolarHBondContact CA-O 3.5Å
141	H	93.3	Very high	92.5	Very high	48 Å²	48	57.6 Å²	57.6	22%	0.222	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	176.4	177	67	-62.2	0	0	0	110.1	M138 G139 D143 Y205 H206	M138-H141 VanDerWaalsContact CG-CE1 3.5Å; M138-H141 WeakPolarHBondContact CG-CE1 3.23Å; M138-H141 PolarHBondContact SD-CE1 2.96Å; M138-H141 PolarHBondContact SD-NE2 3.23Å; G139-H141 PolarHBondContact O-N 2.85Å; G139-H141 VanDerWaalsContact O-N 3.16Å; G139-H141 PolarHBondContact O-ND1 3.12Å; H141-D143 IonicContact CD2-OD1 2.72Å; H141-D143 IonicContact NE2-OD1 3.37Å; H141-Y205 VanDerWaalsContact C-CD1 3.49Å; H141-Y205 CarbonylContact O-C 3.53Å; H141-Y205 WeakPolarHBondContact O-CA 3.34Å; H141-H206 AromaticContact CD2-NE2 3.85Å; H141-H206 AromaticContact CE1-CD2 3.29Å; H141-H206 PolarHBondContact CE1-CD2 3.32Å; H141-H206 AromaticContact CE1-NE2 3.29Å; H141-H206 PolarHBondContact CE1-NE2 2.79Å; H141-H206 VanDerWaalsContact CE1-NE2 3.29Å; H141-H206 PolarHBondContact N-O 2.92Å; H141-H206 PolarHBondContact ND1-O 3.16Å; H141-H206 VanDerWaalsContact ND1-O 3.12Å; H141-H206 AromaticContact NE2-CD2 3.65Å; H141-H206 AromaticContact NE2-CE1 3.96Å; H141-H206 AromaticContact NE2-NE2 3.1Å; H141-H206 PolarHBondContact NE2-NE2 2.94Å; H141-H206 VanDerWaalsContact NE2-NE2 3.1Å; H141-H206 PolarHBondContact O-N 2.82Å
142	R	92.7	Very high	92.4	Very high	53 Å²	53	58.2 Å²	58.2	20%	0.2	30%	0.304	C	S	.	.			trans	-131.6	151.7	169.7	-61.7	-179	-51.3	175.5	1.4	107.3	D144 N201 T202 W204 Y205	R142-D144 HydrophobicContact CB-CB 4.42Å; R142-D144 IonicContact CZ-OD2 3.55Å; R142-D144 IonicContact NE-OD2 3.55Å; R142-D144 PolarHBondContact NE-OD2 2.94Å; R142-D144 IonicContact NH2-OD2 2.68Å; R142-D144 PolarHBondContact NH2-OD2 2.88Å; R142-D144 PolarHBondContact O-N 2.98Å; R142-N201 VanDerWaalsContact CD-O 3.28Å; R142-N201 WeakPolarHBondContact CD-O 3.19Å; R142-T202 PolarHBondContact NH1-O 3.19Å; R142-W204 WeakPolarHBondContact CG-O 3.31Å; R142-Y205 HydrophobicContact CG-CD1 3.69Å; R142-Y205 HydrophobicContact CG-CD2 3.93Å; R142-Y205 HydrophobicContact CG-CE1 3.77Å; R142-Y205 HydrophobicContact CG-CE2 4.07Å; R142-Y205 HydrophobicContact CG-CG 3.74Å
143	D	90.2	Very high	92.3	Very high	10 Å²	10	53.3 Å²	53.3	5%	0.053	28%	0.283	C	S	.	.			trans	-90.4	83.6	168.7	-69.5	-13.5	0	0	0	107.4	H141 E145 L148 I154 N201 R224	H141-D143 IonicContact CD2-OD1 2.72Å; H141-D143 IonicContact NE2-OD1 3.37Å; D143-E145 WeakPolarHBondContact CA-OE2 3.11Å; D143-L148 HydrophobicContact CB-CD1 4.22Å; D143-I154 HydrophobicContact CB-CD1 3.32Å; D143-I154 WeakPolarHBondContact OD2-CD1 3.44Å; D143-N201 PolarHBondContact N-OD1 2.77Å; D143-N201 WeakPolarHBondContact O-CB 3.36Å; D143-R224 IonicContact OD1-CZ 3.98Å; D143-R224 IonicContact OD1-NH2 3.55Å; D143-R224 PolarHBondContact OD1-NH2 2.86Å; D143-R224 IonicContact OD2-CZ 2.83Å; D143-R224 IonicContact OD2-NE 3.71Å; D143-R224 IonicContact OD2-NH2 3.88Å; D143-R224 PolarHBondContact OD2-NH2 2.91Å
144	D	80.9	Confident	92.3	Very high	97 Å²	97	52.6 Å²	52.6	52%	0.519	28%	0.279	S	S	.	.			trans	-119.3	25.9	-177.4	64.3	1.5	0	0	0	113.1	R142 K146	R142-D144 HydrophobicContact CB-CB 4.42Å; R142-D144 IonicContact CZ-OD2 3.55Å; R142-D144 IonicContact NE-OD2 3.55Å; R142-D144 PolarHBondContact NE-OD2 2.94Å; R142-D144 IonicContact NH2-OD2 2.68Å; R142-D144 PolarHBondContact NH2-OD2 2.88Å; R142-D144 PolarHBondContact O-N 2.98Å; D144-K146 PolarHBondContact O-N 2.89Å
145	E	83.2	Confident	92.3	Very high	50 Å²	50	52.5 Å²	52.5	23%	0.234	28%	0.278	C	S	.	.			trans	-63.6	132.8	175.9	-57.4	94.8	147.3	0	0	111.4	D143 E147 L148 R224	D143-E145 WeakPolarHBondContact CA-OE2 3.11Å; E145-E147 HydrophobicContact CB-CG 4.27Å; E145-E147 PolarHBondContact O-N 3.11Å; E145-E147 VanDerWaalsContact O-N 3.11Å; E145-L148 HydrophobicContact CB-CD1 4.23Å; E145-L148 HydrophobicContact CB-CG 4.2Å; E145-L148 WeakPolarHBondContact O-CB 3.39Å; E145-L148 PolarHBondContact O-N 2.92Å; E145-L148 WeakPolarHBondContact OE2-CD1 3.25Å; E145-R224 IonicContact OE1-CZ 2.67Å; E145-R224 IonicContact OE1-NH1 3.83Å; E145-R224 PolarHBondContact OE1-NH1 2.76Å; E145-R224 IonicContact OE2-NH1 2.72Å; E145-R224 PolarHBondContact OE2-NH1 3.32Å
146	K	84.9	Confident	92.4	Very high	207 Å²	207	47.1 Å²	47.1	90%	0.9	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-23.4	-176.1	-66.8	-175.3	179.2	-178.8	0	114.6	D144 L148	D144-K146 PolarHBondContact O-N 2.89Å; K146-L148 VanDerWaalsContact C-N 3.28Å
147	E	87.9	Confident	92.5	Very high	38 Å²	38	46.3 Å²	46.3	18%	0.178	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-5.8	-180	62.6	-174.3	-156.6	0	0	112.6	Y92 T93 E145 I226 L227	Y92-E147 WeakPolarHBondContact CA-OE1 3.41Å; Y92-E147 WeakPolarHBondContact CB-OE1 3.38Å; T93-E147 WeakPolarHBondContact CB-OE2 3.46Å; T93-E147 VanDerWaalsContact N-CD 3.27Å; T93-E147 PolarHBondContact N-OE1 3.08Å; T93-E147 PolarHBondContact N-OE2 2.8Å; T93-E147 PolarHBondContact OG1-OE2 2.9Å; E145-E147 HydrophobicContact CB-CG 4.27Å; E145-E147 PolarHBondContact O-N 3.11Å; E145-E147 VanDerWaalsContact O-N 3.11Å; E147-I226 HydrophobicContact CB-CG2 4.24Å; E147-I226 HydrophobicContact CG-CD1 4.06Å; E147-I226 HydrophobicContact CG-CG2 4.37Å; E147-I226 CarbonylContact O-C 3.6Å; E147-I226 WeakPolarHBondContact O-CA 3.43Å; E147-L227 PolarHBondContact O-N 2.94Å
148	L	89.6	Confident	92.6	Very high	20 Å²	20	43.2 Å²	43.2	11%	0.105	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-77.8	140.7	173.2	-64.2	173.9	0	0	0	111.1	D143 E145 K146 P150 I154 R224 I226	D143-L148 HydrophobicContact CB-CD1 4.22Å; E145-L148 HydrophobicContact CB-CD1 4.23Å; E145-L148 HydrophobicContact CB-CG 4.2Å; E145-L148 WeakPolarHBondContact O-CB 3.39Å; E145-L148 PolarHBondContact O-N 2.92Å; E145-L148 WeakPolarHBondContact OE2-CD1 3.25Å; K146-L148 VanDerWaalsContact C-N 3.28Å; L148-P150 WeakPolarHBondContact O-CD 3.26Å; L148-I154 HydrophobicContact CD1-CD1 4.23Å; L148-R224 HydrophobicContact CD2-CB 3.72Å; L148-R224 HydrophobicContact CD2-CG 4.11Å; L148-I226 HydrophobicContact CD2-CD1 3.58Å
149	D	92.2	Very high	92.8	Very high	27 Å²	27	42.2 Å²	42.2	14%	0.144	23%	0.23	C	C	.	.			trans	-66.8	110.7	168.9	-174.5	-25.6	0	0	0	109	S151 C152 R225 L227	D149-S151 PolarHBondContact O-N 3.07Å; D149-S151 VanDerWaalsContact O-N 3.12Å; D149-S151 WeakPolarHBondContact OD1-CB 3.35Å; D149-S151 PolarHBondContact OD1-N 2.83Å; D149-S151 PolarHBondContact OD1-OG 3.44Å; D149-C152 HydrophobicContact CB-CB 3.9Å; D149-C152 PolarHBondContact O-N 3.3Å; D149-C152 VanDerWaalsContact O-N 3.11Å; D149-R225 HydrophobicContact CB-CB 4.15Å; D149-R225 HydrophobicContact CB-CG 3.99Å; D149-R225 PolarHBondContact N-O 3.48Å; D149-R225 WeakPolarHBondContact OD2-CD 3.33Å; D149-R225 IonicContact OD2-NE 3.68Å; D149-R225 PolarHBondContact OD2-NE 2.63Å; D149-L227 HydrophobicContact CB-CD2 3.75Å; D149-L227 HydrophobicContact CB-CG 4.19Å
150	P	90.5	Very high	93	Very high	103 Å²	103	40.9 Å²	40.9	67%	0.669	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-11.7	-173.8	31	-36.7	0	0	0	113.1	L148 P198	L148-P150 WeakPolarHBondContact O-CD 3.26Å; P150-P198 VanDerWaalsContact O-CG 3.23Å; P150-P198 WeakPolarHBondContact O-CG 3.49Å
151	S	90.2	Very high	93.2	Very high	83 Å²	83	38.3 Å²	38.3	58%	0.58	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-15.6	177	74.9	0	0	0	0	113.2	D149	D149-S151 PolarHBondContact O-N 3.07Å; D149-S151 VanDerWaalsContact O-N 3.12Å; D149-S151 WeakPolarHBondContact OD1-CB 3.35Å; D149-S151 PolarHBondContact OD1-N 2.83Å; D149-S151 PolarHBondContact OD1-OG 3.44Å
152	C	94.8	Very high	93.4	Very high	17 Å²	17	37.7 Å²	37.7	12%	0.115	21%	0.21	C	C	.	.	S	Bend	trans	-91.5	134.2	-179.1	-161.3	0	0	0	0	110.1	D149 R225	D149-C152 HydrophobicContact CB-CB 3.9Å; D149-C152 PolarHBondContact O-N 3.3Å; D149-C152 VanDerWaalsContact O-N 3.11Å; C152-R225 HydrophobicContact CB-CB 3.87Å
153	P	97	Very high	93.7	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.019	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-65.5	164.5	171.4	29.5	-36.3	0	0	0	111.6	R121 F123 L195 M196 N197	R121-P153 HydrophobicContact CG-CG 3.86Å; F123-P153 WeakPolarHBondContact CE1-O 3.18Å; P153-L195 HydrophobicContact CB-CD1 3.61Å; P153-L195 HydrophobicContact CB-CD2 4.27Å; P153-L195 HydrophobicContact CB-CG 3.71Å; P153-L195 HydrophobicContact CG-CD1 3.67Å; P153-L195 HydrophobicContact CG-CD2 4.18Å; P153-L195 HydrophobicContact CG-CG 4.03Å; P153-M196 WeakPolarHBondContact CA-O 3.16Å; P153-N197 WeakPolarHBondContact CB-OD1 3.42Å
154	I	98.2	Very high	94.1	Very high	11 Å²	11	37.2 Å²	37.2	6%	0.056	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	126.2	167.1	-65.7	-179.2	0	0	0	108.3	D143 L148 M196 T222 R224	D143-I154 HydrophobicContact CB-CD1 3.32Å; D143-I154 WeakPolarHBondContact OD2-CD1 3.44Å; L148-I154 HydrophobicContact CD1-CD1 4.23Å; I154-M196 HydrophobicContact CB-CE 4.1Å; I154-M196 HydrophobicContact CG2-CE 3.73Å; I154-M196 PolarHBondContact N-O 3.38Å; I154-M196 VanDerWaalsContact N-O 3.08Å; I154-M196 PolarHBondContact O-N 3.43Å; I154-T222 HydrophobicContact CG2-CG2 3.3Å; I154-R224 HydrophobicContact CG1-CG 4.41Å; I154-R224 HydrophobicContact CG2-CG 4.38Å
155	A	98.7	Very high	95	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	119.2	178.7	0	0	0	0	0	110.5	V115 F123 L193 L195 T222 F223	V115-A155 HydrophobicContact CG1-CB 3.61Å; F123-A155 HydrophobicContact CE1-CB 3.87Å; F123-A155 HydrophobicContact CE2-CB 4.1Å; F123-A155 HydrophobicContact CZ-CB 3.54Å; A155-L193 HydrophobicContact CB-CD1 3.85Å; A155-L195 HydrophobicContact CB-CD1 3.89Å; A155-T222 CarbonylContact O-C 3.58Å; A155-T222 WeakPolarHBondContact O-CA 3.47Å; A155-F223 HydrophobicContact CB-CB 4.17Å; A155-F223 PolarHBondContact N-O 3.04Å; A155-F223 VanDerWaalsContact N-O 3.12Å; A155-F223 PolarHBondContact O-N 2.94Å
156	S	98.8	Very high	95.7	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.014	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	107.9	-180	177.5	0	0	0	0	110.3	L193 L194 N220 L221	S156-L193 WeakPolarHBondContact O-CA 3.28Å; S156-L194 PolarHBondContact N-O 3.3Å; S156-L194 PolarHBondContact O-N 3.2Å; S156-N220 PolarHBondContact OG-OD1 3.02Å; S156-L221 CarbonylContact C-O 3.57Å; S156-L221 WeakPolarHBondContact CA-O 3.29Å
157	V	98.9	Very high	96.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	135.3	173.3	176.3	0	0	0	0	109.8	L42 F43 I111 V115 L159 S192 L193 N220 L221 F223	L42-V157 HydrophobicContact CD2-CG2 4.31Å; F43-V157 HydrophobicContact CD2-CG1 4.43Å; F43-V157 HydrophobicContact CE2-CG1 3.98Å; I111-V157 HydrophobicContact CG2-CB 4.4Å; I111-V157 HydrophobicContact CG2-CG1 4.2Å; I111-V157 HydrophobicContact CG2-CG2 4.15Å; V115-V157 HydrophobicContact CG2-CG2 3.53Å; V157-L159 HydrophobicContact CG1-CG 4.47Å; V157-S192 VanDerWaalsContact CA-O 3.3Å; V157-S192 WeakPolarHBondContact CA-O 3.22Å; V157-L193 HydrophobicContact CG2-CD1 3.93Å; V157-N220 WeakPolarHBondContact O-CA 3.15Å; V157-L221 HydrophobicContact CB-CB 4.27Å; V157-L221 HydrophobicContact CB-CD1 4.48Å; V157-L221 HydrophobicContact CG1-CD1 4.46Å; V157-L221 PolarHBondContact N-O 2.79Å; V157-L221 PolarHBondContact O-N 3.18Å; V157-F223 HydrophobicContact CB-CE2 4.5Å; V157-F223 HydrophobicContact CG2-CD2 4.42Å; V157-F223 HydrophobicContact CG2-CE2 4.17Å
158	S	98.9	Very high	96.8	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.014	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	128.3	-178.6	-60.9	0	0	0	0	112.5	A189 G191 S192 R218	S158-A189 WeakPolarHBondContact CB-O 3.16Å; S158-G191 PolarHBondContact O-N 3.35Å; S158-S192 PolarHBondContact N-O 3.41Å; S158-R218 PolarHBondContact OG-NH2 3.33Å
159	L	98.9	Very high	97.1	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	147.9	177.9	-60.7	170.5	0	0	0	110.6	A48 L51 F52 L55 I111 V157 H190 R218 I219	A48-L159 HydrophobicContact CB-CD2 3.78Å; L51-L159 HydrophobicContact CB-CD1 3.94Å; F52-L159 HydrophobicContact CB-CB 4.19Å; F52-L159 HydrophobicContact CD2-CB 3.78Å; F52-L159 HydrophobicContact CG-CB 4.48Å; L55-L159 HydrophobicContact CD1-CD1 3.55Å; I111-L159 HydrophobicContact CD1-CD1 4.18Å; V157-L159 HydrophobicContact CG1-CG 4.47Å; L159-H190 WeakPolarHBondContact CA-ND1 3.46Å; L159-R218 CarbonylContact O-C 3.55Å; L159-R218 WeakPolarHBondContact O-CA 3.19Å; L159-I219 PolarHBondContact N-O 3.33Å; L159-I219 PolarHBondContact O-N 3.34Å
160	G	98.8	Very high	97.2	Very high	19 Å²	19	26 Å²	26	20%	0.196	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	82.3	-143.4	-172.8	0	0	0	0	0	113.5	A162 H190	G160-A162 PolarHBondContact O-N 3.41Å; G160-H190 PolarHBondContact N-CE1 3.34Å; G160-H190 PolarHBondContact N-ND1 2.75Å
161	A	98.6	Very high	97.4	Very high	13 Å²	13	23.4 Å²	23.4	11%	0.107	13%	0.13	C	C	.	.	S	Bend	trans	-60.5	133	-172.2	0	0	0	0	0	113.2	V214 S216 P217 R218	A161-V214 HydrophobicContact CB-CG1 3.73Å; A161-S216 WeakPolarHBondContact CB-O 3.43Å; A161-S216 VanDerWaalsContact CB-OG 3.31Å; A161-S216 WeakPolarHBondContact CB-OG 3.45Å; A161-P217 WeakPolarHBondContact CB-O 3.26Å; A161-P217 PolarHBondContact N-O 3.46Å; A161-R218 HydrophobicContact CB-CB 4.4Å; A161-R218 WeakPolarHBondContact O-CD 3.29Å
162	A	98.6	Very high	97.5	Very high	36 Å²	36	20 Å²	20	30%	0.298	11%	0.107	S	C	.	.			trans	-64.2	141.7	172.8	0	0	0	0	0	111.1	G160 E187 L188	G160-A162 PolarHBondContact O-N 3.41Å; A162-E187 HydrophobicContact CB-CG 3.91Å; A162-L188 VanDerWaalsContact CA-O 3.31Å; A162-L188 WeakPolarHBondContact CA-O 3.15Å
163	R	98.5	Very high	97.2	Very high	3 Å²	3	22.8 Å²	22.8	1%	0.011	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	136.6	-177.8	-71.6	-69.2	-68	-88.2	1.7	111.7	D133 D136 F165 L188 L208 P209 R218	D133-R163 PolarHBondContact O-NH1 3.29Å; D133-R163 VanDerWaalsContact O-NH1 3.12Å; D136-R163 PolarHBondContact O-NH1 3.1Å; D136-R163 PolarHBondContact O-NH2 3.29Å; R163-F165 PolarHBondContact O-N 2.99Å; R163-L188 PolarHBondContact N-O 3.1Å; R163-L188 PolarHBondContact O-N 2.95Å; R163-L208 HydrophobicContact CB-CD1 3.74Å; R163-L208 HydrophobicContact CB-CD2 4.28Å; R163-L208 HydrophobicContact CB-CG 4.17Å; R163-L208 HydrophobicContact CG-CD2 4.3Å; R163-P209 PolarHBondContact NH2-O 3.24Å; R163-R218 VanDerWaalsContact CG-CD 3.47Å
164	D	98.3	Very high	96.5	Very high	49 Å²	49	25.9 Å²	25.9	26%	0.262	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	126.8	167.9	-65.5	1.5	0	0	0	110.8	P209 R211	D164-P209 WeakPolarHBondContact O-CD 3.49Å; D164-R211 IonicContact OD2-CZ 3.34Å; D164-R211 IonicContact OD2-NE 3.12Å; D164-R211 PolarHBondContact OD2-NE 3.27Å; D164-R211 IonicContact OD2-NH2 2.71Å; D164-R211 PolarHBondContact OD2-NH2 3.47Å
165	F	98.6	Very high	95.2	Very high	12 Å²	12	35.9 Å²	35.9	5%	0.053	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	131.2	170.1	-162.9	-99.1	0	0	0	108.6	R163 F167 K185 L186 L188 L194 M196 H206 L208	R163-F165 PolarHBondContact O-N 2.99Å; F165-F167 HydrophobicContact CD1-CD2 4.14Å; F165-F167 HydrophobicContact CD1-CE1 4.44Å; F165-F167 AromaticContact CD1-CE2 3.64Å; F165-F167 HydrophobicContact CD1-CE2 3.64Å; F165-F167 AromaticContact CD1-CZ 3.83Å; F165-F167 HydrophobicContact CD1-CZ 3.83Å; F165-F167 HydrophobicContact CE1-CD1 4.35Å; F165-F167 HydrophobicContact CE1-CD2 4.36Å; F165-F167 AromaticContact CE1-CE1 3.74Å; F165-F167 HydrophobicContact CE1-CE1 3.74Å; F165-F167 AromaticContact CE1-CE2 3.75Å; F165-F167 HydrophobicContact CE1-CE2 3.75Å; F165-F167 AromaticContact CE1-CZ 3.42Å; F165-F167 HydrophobicContact CE1-CZ 3.42Å; F165-F167 VanDerWaalsContact CE1-CZ 3.42Å; F165-K185 WeakPolarHBondContact O-CA 3.2Å; F165-L186 PolarHBondContact N-O 2.84Å; F165-L186 PolarHBondContact O-N 3.3Å; F165-L188 HydrophobicContact CB-CD1 3.75Å; F165-L188 HydrophobicContact CB-CG 3.81Å; F165-L188 HydrophobicContact CD2-CD1 3.63Å; F165-L188 HydrophobicContact CE2-CD1 4.32Å; F165-L188 HydrophobicContact CG-CD1 3.78Å; F165-L188 HydrophobicContact CG-CG 4.32Å; F165-L194 HydrophobicContact CD1-CD2 4.07Å; F165-L194 HydrophobicContact CE1-CD2 3.93Å; F165-M196 HydrophobicContact CE1-SD 4.33Å; F165-M196 HydrophobicContact CZ-SD 4.33Å; F165-H206 HydrophobicContact CE1-CB 3.55Å; F165-H206 HydrophobicContact CE2-CB 4.49Å; F165-H206 AromaticContact CE2-CD2 3.97Å; F165-H206 HydrophobicContact CZ-CB 3.56Å; F165-H206 AromaticContact CZ-CD2 3.35Å; F165-H206 WeakPolarHBondContact CZ-CD2 3.36Å; F165-H206 AromaticContact CZ-CG 3.63Å; F165-L208 HydrophobicContact CD2-CD1 3.92Å
166	V	98.6	Very high	93.7	Very high	12 Å²	12	46.8 Å²	46.8	7%	0.073	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	121.9	-170.3	-176.3	0	0	0	0	110	P183 K185 H206 S207 P209	V166-P183 HydrophobicContact CG1-CB 4.04Å; V166-K185 HydrophobicContact CG1-CG 4.29Å; V166-K185 HydrophobicContact CG2-CG 4.21Å; V166-H206 CarbonylContact O-C 3.56Å; V166-H206 VanDerWaalsContact O-CA 3.26Å; V166-H206 WeakPolarHBondContact O-CA 3.35Å; V166-S207 PolarHBondContact N-O 3.4Å; V166-S207 PolarHBondContact O-N 2.83Å; V166-S207 PolarHBondContact O-OG 3.22Å; V166-P209 HydrophobicContact CG2-CG 3.99Å
167	F	98.4	Very high	92.7	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	135.8	169.8	-64.4	-85.2	0	0	0	110.7	L35 F165 P183 V184 L194 M196 T200 W204 Y205 H206	L35-F167 HydrophobicContact CD1-CD1 3.86Å; L35-F167 HydrophobicContact CD1-CD2 4.42Å; L35-F167 HydrophobicContact CD1-CE1 4.01Å; L35-F167 HydrophobicContact CD1-CG 4.06Å; L35-F167 HydrophobicContact CD1-CZ 4.32Å; F165-F167 HydrophobicContact CD1-CD2 4.14Å; F165-F167 HydrophobicContact CD1-CE1 4.44Å; F165-F167 AromaticContact CD1-CE2 3.64Å; F165-F167 HydrophobicContact CD1-CE2 3.64Å; F165-F167 AromaticContact CD1-CZ 3.83Å; F165-F167 HydrophobicContact CD1-CZ 3.83Å; F165-F167 HydrophobicContact CE1-CD1 4.35Å; F165-F167 HydrophobicContact CE1-CD2 4.36Å; F165-F167 AromaticContact CE1-CE1 3.74Å; F165-F167 HydrophobicContact CE1-CE1 3.74Å; F165-F167 AromaticContact CE1-CE2 3.75Å; F165-F167 HydrophobicContact CE1-CE2 3.75Å; F165-F167 AromaticContact CE1-CZ 3.42Å; F165-F167 HydrophobicContact CE1-CZ 3.42Å; F165-F167 VanDerWaalsContact CE1-CZ 3.42Å; F167-P183 VanDerWaalsContact O-CA 3.25Å; F167-P183 WeakPolarHBondContact O-CA 3.43Å; F167-P183 WeakPolarHBondContact O-CB 3.23Å; F167-V184 HydrophobicContact CB-CB 4.23Å; F167-V184 PolarHBondContact N-O 2.64Å; F167-V184 PolarHBondContact O-N 2.96Å; F167-V184 VanDerWaalsContact O-N 3.07Å; F167-L194 HydrophobicContact CE2-CD2 4.44Å; F167-L194 HydrophobicContact CZ-CD2 4.08Å; F167-M196 HydrophobicContact CE1-CG 4.46Å; F167-M196 HydrophobicContact CE1-SD 3.91Å; F167-M196 HydrophobicContact CZ-CG 4.25Å; F167-M196 HydrophobicContact CZ-SD 4.06Å; F167-T200 HydrophobicContact CD1-CG2 4.43Å; F167-T200 HydrophobicContact CE1-CG2 3.96Å; F167-W204 HydrophobicContact CB-CD2 4.45Å; F167-W204 HydrophobicContact CB-CE3 3.67Å; F167-W204 HydrophobicContact CB-CZ3 4.26Å; F167-W204 HydrophobicContact CD1-CB 4.23Å; F167-Y205 CarbonylContact C-O 3.48Å; F167-Y205 VanDerWaalsContact CA-O 3.26Å; F167-Y205 WeakPolarHBondContact CA-O 3.37Å; F167-H206 HydrophobicContact CD1-CB 3.78Å; F167-H206 HydrophobicContact CE1-CB 3.94Å
168	R	97.3	Very high	91.8	Very high	78 Å²	78	55.9 Å²	55.9	29%	0.294	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	122.5	173.3	-171.6	-177.5	-63.8	-85.6	-2.6	110.6	E140 R173 Y205	E140-R168 VanDerWaalsContact OE1-CD 3.31Å; E140-R168 WeakPolarHBondContact OE1-CD 3.41Å; E140-R168 IonicContact OE1-CZ 3.12Å; E140-R168 IonicContact OE1-NE 2.71Å; E140-R168 PolarHBondContact OE1-NE 2.95Å; E140-R168 IonicContact OE1-NH2 2.7Å; R168-R173 HydrophobicContact CG-CG 3.96Å; R168-Y205 PolarHBondContact N-O 3Å; R168-Y205 PolarHBondContact O-N 3.12Å
169	H	97.1	Very high	91.3	Very high	2 Å²	2	60.2 Å²	60.2	1%	0.009	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	139.1	178.9	-168.7	-86.4	0	0	0	110.6	D171 A172 R173 I181 F203 W204	H169-D171 VanDerWaalsContact C-N 3.27Å; H169-D171 IonicContact CE1-OD2 3.49Å; H169-D171 PolarHBondContact CE1-OD2 2.94Å; H169-D171 VanDerWaalsContact CE1-OD2 3.3Å; H169-D171 PolarHBondContact ND1-N 3.02Å; H169-D171 VanDerWaalsContact ND1-N 3.2Å; H169-D171 IonicContact ND1-OD2 3.37Å; H169-D171 PolarHBondContact O-N 3.23Å; H169-A172 HydrophobicContact CB-CB 4.16Å; H169-A172 WeakPolarHBondContact O-CA 3.38Å; H169-A172 WeakPolarHBondContact O-CB 3.25Å; H169-A172 PolarHBondContact O-N 2.89Å; H169-R173 WeakPolarHBondContact O-CG 3.23Å; H169-I181 HydrophobicContact CB-CB 4.29Å; H169-I181 HydrophobicContact CB-CD1 3.89Å; H169-I181 HydrophobicContact CB-CG2 4.17Å; H169-F203 AromaticContact NE2-CD1 3.96Å; H169-W204 HydrophobicContact CB-CD2 4.06Å; H169-W204 HydrophobicContact CB-CE3 3.97Å; H169-W204 HydrophobicContact CB-CH2 3.87Å; H169-W204 HydrophobicContact CB-CZ2 3.92Å; H169-W204 HydrophobicContact CB-CZ3 3.89Å; H169-W204 AromaticContact CD2-CE2 3.59Å; H169-W204 AromaticContact CD2-CZ2 3.82Å; H169-W204 AromaticContact CD2-NE1 3.56Å; H169-W204 VanDerWaalsContact N-CZ3 3.3Å
170	R	94.3	Very high	90.8	Very high	101 Å²	101	72.5 Å²	72.5	38%	0.381	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-57	-37.3	-174.7	69.1	-178.2	-170.6	-159.9	4.5	113.3	A172 R173 T202 F203 Y205	R170-A172 PolarHBondContact O-N 2.8Å; R170-R173 PolarHBondContact O-N 3.02Å; R170-T202 PolarHBondContact NH1-O 3.49Å; R170-F203 WeakPolarHBondContact CB-O 3.43Å; R170-F203 WeakPolarHBondContact CG-O 3.37Å; R170-F203 PolarHBondContact N-O 2.84Å; R170-Y205 HydrophobicContact CB-CD2 4.14Å; R170-Y205 HydrophobicContact CB-CE2 3.89Å
171	D	93.9	Very high	90.6	Very high	47 Å²	47	73.3 Å²	73.3	25%	0.251	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-77.4	-10.5	178.8	-57.9	-23.4	0	0	0	113.1	H169 S177 N178 R179	H169-D171 VanDerWaalsContact C-N 3.27Å; H169-D171 IonicContact CE1-OD2 3.49Å; H169-D171 PolarHBondContact CE1-OD2 2.94Å; H169-D171 VanDerWaalsContact CE1-OD2 3.3Å; H169-D171 PolarHBondContact ND1-N 3.02Å; H169-D171 VanDerWaalsContact ND1-N 3.2Å; H169-D171 IonicContact ND1-OD2 3.37Å; H169-D171 PolarHBondContact O-N 3.23Å; D171-S177 PolarHBondContact O-OG 3.02Å; D171-N178 PolarHBondContact O-N 3.07Å; D171-N178 VanDerWaalsContact O-N 3.11Å; D171-R179 HydrophobicContact CB-CB 4.26Å; D171-R179 HydrophobicContact CB-CG 4.2Å; D171-R179 PolarHBondContact O-N 2.85Å; D171-R179 IonicContact OD2-NH1 2.83Å
172	A	92.6	Very high	90.4	Very high	11 Å²	11	79.3 Å²	79.3	9%	0.091	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-100.9	13.9	178.5	0	0	0	0	0	113.2	H169 R170 S177 I181	H169-A172 HydrophobicContact CB-CB 4.16Å; H169-A172 WeakPolarHBondContact O-CA 3.38Å; H169-A172 WeakPolarHBondContact O-CB 3.25Å; H169-A172 PolarHBondContact O-N 2.89Å; R170-A172 PolarHBondContact O-N 2.8Å; A172-S177 VanDerWaalsContact CA-OG 3.27Å; A172-S177 WeakPolarHBondContact CA-OG 3.44Å; A172-I181 HydrophobicContact CB-CB 3.88Å; A172-I181 HydrophobicContact CB-CG1 4.41Å
173	R	89.3	Confident	90.3	Very high	77 Å²	77	79.7 Å²	79.7	29%	0.291	38%	0.376	S	S	.	.			trans	-97.5	145.6	-176.8	-58.9	-170.7	63.4	-145.5	2.9	113.2	E140 R168 H169 R170 Y205	E140-R173 IonicContact OE2-CZ 3.88Å; E140-R173 VanDerWaalsContact OE2-CZ 3.24Å; E140-R173 IonicContact OE2-NE 3.3Å; E140-R173 PolarHBondContact OE2-NE 2.79Å; E140-R173 IonicContact OE2-NH2 3.85Å; E140-R173 PolarHBondContact OE2-NH2 3.02Å; R168-R173 HydrophobicContact CG-CG 3.96Å; H169-R173 WeakPolarHBondContact O-CG 3.23Å; R170-R173 PolarHBondContact O-N 3.02Å; R173-Y205 VanDerWaalsContact NH1-CE2 3.29Å
174	G	80.5	Confident	90.3	Very high	67 Å²	67	81.2 Å²	81.2	69%	0.691	39%	0.385	S	S	*	.	S	Bend	trans	72.3	179	169.3	0	0	0	0	0	115.2	R176 S177	G174-R176 PolarHBondContact O-N 2.88Å; G174-S177 PolarHBondContact O-N 2.93Å
175	K	72.4	Confident	90.3	Very high	222 Å²	222	86 Å²	86	97%	0.965	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-14	-175.7	-66	-174.4	178.7	-178.2	0	114.2
176	R	67.2	Low	90.2	Very high	229 Å²	229	86.4 Å²	86.4	86%	0.864	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.2	42.9	179.2	-56.5	-172.7	-141.6	176.2	5	110.9	G174 N178	G174-R176 PolarHBondContact O-N 2.88Å; R176-N178 PolarHBondContact O-N 3.26Å
177	S	78.1	Confident	90.2	Very high	49 Å²	49	91.1 Å²	91.1	34%	0.343	43%	0.428	S	S	.	.			trans	-61.5	131.3	176.9	164.4	0	0	0	0	110.1	D171 A172 G174 R179	D171-S177 PolarHBondContact O-OG 3.02Å; A172-S177 VanDerWaalsContact CA-OG 3.27Å; A172-S177 WeakPolarHBondContact CA-OG 3.44Å; G174-S177 PolarHBondContact O-N 2.93Å; S177-R179 VanDerWaalsContact C-N 3.31Å; S177-R179 PolarHBondContact OG-N 3.02Å; S177-R179 PolarHBondContact OG-O 2.85Å
178	N	79.4	Confident	90.2	Very high	144 Å²	144	91.1 Å²	91.1	77%	0.77	43%	0.428	S	S	*	.	S	Bend	trans	-79.7	-17.2	179.5	-66	-26.9	0	0	0	112.1	D171 R176	D171-N178 PolarHBondContact O-N 3.07Å; D171-N178 VanDerWaalsContact O-N 3.11Å; R176-N178 PolarHBondContact O-N 3.26Å
179	R	88.9	Confident	90.3	Very high	93 Å²	93	88.6 Å²	88.6	35%	0.351	42%	0.423	S	S	.	.	S	Bend	trans	-146.8	136	-172.1	-62.4	-179.4	63.8	-162.2	-2.1	111.2	E33 D171 S177 I181	E33-R179 IonicContact OE1-CZ 3.68Å; E33-R179 IonicContact OE1-NH1 3.77Å; E33-R179 PolarHBondContact OE1-NH1 2.68Å; E33-R179 IonicContact OE1-NH2 3.87Å; E33-R179 PolarHBondContact OE1-NH2 2.79Å; E33-R179 IonicContact OE2-CZ 2.69Å; E33-R179 IonicContact OE2-NH1 3.28Å; E33-R179 IonicContact OE2-NH2 3.45Å; E33-R179 PolarHBondContact OE2-NH2 3.37Å; D171-R179 HydrophobicContact CB-CB 4.26Å; D171-R179 HydrophobicContact CB-CG 4.2Å; D171-R179 PolarHBondContact O-N 2.85Å; D171-R179 IonicContact OD2-NH1 2.83Å; S177-R179 VanDerWaalsContact C-N 3.31Å; S177-R179 PolarHBondContact OG-N 3.02Å; S177-R179 PolarHBondContact OG-O 2.85Å; R179-I181 HydrophobicContact CB-CD1 4.23Å; R179-I181 HydrophobicContact CB-CG1 4.12Å; R179-I181 PolarHBondContact O-N 3.12Å
180	R	88.4	Confident	90.3	Very high	259 Å²	259	90.5 Å²	90.5	98%	0.977	43%	0.432	S	S	*	.			trans	-84.8	98.7	171	-66.1	-175.9	-178.8	-177.5	1.1	109.3
181	I	93.1	Very high	90.6	Very high	36 Å²	36	85.7 Å²	85.7	19%	0.185	41%	0.414	C	S	.	.			trans	-123.1	126.1	174	-52.1	174.8	0	0	0	107	H169 A172 R179 W204	H169-I181 HydrophobicContact CB-CB 4.29Å; H169-I181 HydrophobicContact CB-CD1 3.89Å; H169-I181 HydrophobicContact CB-CG2 4.17Å; A172-I181 HydrophobicContact CB-CB 3.88Å; A172-I181 HydrophobicContact CB-CG1 4.41Å; R179-I181 HydrophobicContact CB-CD1 4.23Å; R179-I181 HydrophobicContact CB-CG1 4.12Å; R179-I181 PolarHBondContact O-N 3.12Å; I181-W204 HydrophobicContact CG2-CH2 3.88Å; I181-W204 HydrophobicContact CG2-CZ2 4.4Å
182	D	94.7	Very high	90.8	Very high	139 Å²	139	83.4 Å²	83.4	74%	0.743	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-70.1	143.3	-179.1	-72.9	-37.6	0	0	0	111.5
183	P	96.6	Very high	91.1	Very high	44 Å²	44	82.9 Å²	82.9	29%	0.286	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-65.1	139.4	173.2	-19.1	31.7	0	0	0	111.5	V166 F167	V166-P183 HydrophobicContact CG1-CB 4.04Å; F167-P183 VanDerWaalsContact O-CA 3.25Å; F167-P183 WeakPolarHBondContact O-CA 3.43Å; F167-P183 WeakPolarHBondContact O-CB 3.23Å
184	V	98.2	Very high	91.5	Very high	34 Å²	34	79.2 Å²	79.2	21%	0.206	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	134.3	169.7	-178.9	0	0	0	0	108.5	I30 A32 L35 F167 W204	I30-V184 HydrophobicContact CG2-CG1 3.87Å; A32-V184 HydrophobicContact CB-CG2 4.29Å; L35-V184 HydrophobicContact CD2-CB 3.9Å; L35-V184 HydrophobicContact CD2-CG1 3.95Å; L35-V184 HydrophobicContact CD2-CG2 3.73Å; F167-V184 HydrophobicContact CB-CB 4.23Å; F167-V184 PolarHBondContact N-O 2.64Å; F167-V184 PolarHBondContact O-N 2.96Å; F167-V184 VanDerWaalsContact O-N 3.07Å; V184-W204 HydrophobicContact CG2-CH2 4.09Å; V184-W204 HydrophobicContact CG2-CZ3 4.16Å
185	K	98	Very high	92.4	Very high	150 Å²	150	76.6 Å²	76.6	65%	0.652	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.6	138.4	-177.6	-58.8	179.6	-173.6	168.4	0	109.9	F165 V166	F165-K185 WeakPolarHBondContact O-CA 3.2Å; V166-K185 HydrophobicContact CG1-CG 4.29Å; V166-K185 HydrophobicContact CG2-CG 4.21Å
186	L	97.3	Very high	93.6	Very high	21 Å²	21	66.2 Å²	66.2	11%	0.11	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	140.6	177.4	175	69.7	0	0	0	108.1	I30 Y39 F165 L188 L194	I30-L186 HydrophobicContact CD1-CD1 3.8Å; I30-L186 HydrophobicContact CD1-CD2 3.58Å; I30-L186 HydrophobicContact CD1-CG 4.17Å; Y39-L186 HydrophobicContact CD1-CD1 4.3Å; Y39-L186 HydrophobicContact CD2-CD1 4.45Å; Y39-L186 HydrophobicContact CD2-CD2 3.71Å; Y39-L186 HydrophobicContact CE1-CD1 4.44Å; Y39-L186 HydrophobicContact CE2-CD2 4.11Å; Y39-L186 HydrophobicContact CG-CD1 4.29Å; Y39-L186 HydrophobicContact CG-CD2 4.12Å; F165-L186 PolarHBondContact N-O 2.84Å; F165-L186 PolarHBondContact O-N 3.3Å; L186-L188 HydrophobicContact CD2-CD2 3.57Å; L186-L188 HydrophobicContact CG-CD2 4.21Å; L186-L194 HydrophobicContact CD2-CD1 3.89Å; L186-L194 HydrophobicContact CD2-CD2 4.39Å
187	E	98.2	Very high	95.1	Very high	111 Å²	111	56.3 Å²	56.3	52%	0.519	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	122.4	165.7	-173.2	177.2	82	0	0	108.7	Y39 A162 A189	Y39-E187 PolarHBondContact OH-O 2.91Å; A162-E187 HydrophobicContact CB-CG 3.91Å; E187-A189 PolarHBondContact O-N 3.07Å
188	L	98.7	Very high	96	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	107.4	174.2	-65	179.6	0	0	0	109	Y39 A162 R163 F165 L186 L194	Y39-L188 HydrophobicContact CD2-CD2 4.2Å; Y39-L188 HydrophobicContact CE2-CD2 3.83Å; A162-L188 VanDerWaalsContact CA-O 3.31Å; A162-L188 WeakPolarHBondContact CA-O 3.15Å; R163-L188 PolarHBondContact N-O 3.1Å; R163-L188 PolarHBondContact O-N 2.95Å; F165-L188 HydrophobicContact CB-CD1 3.75Å; F165-L188 HydrophobicContact CB-CG 3.81Å; F165-L188 HydrophobicContact CD2-CD1 3.63Å; F165-L188 HydrophobicContact CE2-CD1 4.32Å; F165-L188 HydrophobicContact CG-CD1 3.78Å; F165-L188 HydrophobicContact CG-CG 4.32Å; L186-L188 HydrophobicContact CD2-CD2 3.57Å; L186-L188 HydrophobicContact CG-CD2 4.21Å; L188-L194 HydrophobicContact CD2-CB 3.87Å; L188-L194 HydrophobicContact CD2-CD2 4.02Å; L188-L194 HydrophobicContact CD2-CG 4.47Å
189	A	98.7	Very high	96.8	Very high	24 Å²	24	52.2 Å²	52.2	20%	0.198	25%	0.253	C	S	.	.			trans	-81.1	168.4	-175.6	0	0	0	0	0	112.9	Y39 L41 S158 E187 G191 S192	Y39-A189 WeakPolarHBondContact OH-CB 3.38Å; Y39-A189 PolarHBondContact OH-N 3.21Å; L41-A189 HydrophobicContact CD2-CB 4.03Å; S158-A189 WeakPolarHBondContact CB-O 3.16Å; E187-A189 PolarHBondContact O-N 3.07Å; A189-G191 PolarHBondContact O-N 3.23Å; A189-S192 PolarHBondContact N-OG 2.83Å; A189-S192 VanDerWaalsContact O-CB 3.25Å; A189-S192 WeakPolarHBondContact O-CB 3.42Å; A189-S192 PolarHBondContact O-N 2.92Å; A189-S192 PolarHBondContact O-OG 3.03Å
190	H	98.8	Very high	97.2	Very high	42 Å²	42	47.8 Å²	47.8	19%	0.194	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	129.7	169.7	-174	38.8	0	0	0	110.8	A48 D49 L159 G160 S192	A48-H190 VanDerWaalsContact C-NE2 3.26Å; A48-H190 WeakPolarHBondContact CB-CE1 3.43Å; A48-H190 WeakPolarHBondContact CB-NE2 3.31Å; A48-H190 PolarHBondContact O-CE1 2.99Å; D49-H190 PolarHBondContact N-NE2 3.08Å; D49-H190 IonicContact OD1-CD2 3.22Å; D49-H190 IonicContact OD1-NE2 3.8Å; D49-H190 PolarHBondContact OD1-NE2 2.95Å; L159-H190 WeakPolarHBondContact CA-ND1 3.46Å; G160-H190 PolarHBondContact N-CE1 3.34Å; G160-H190 PolarHBondContact N-ND1 2.75Å; H190-S192 PolarHBondContact O-N 3.21Å
191	G	98.6	Very high	97.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	5.3	-178.5	0	0	0	0	0	113.8	L42 F43 S158 A189	L42-G191 PolarHBondContact N-O 3.23Å; F43-G191 PolarHBondContact N-O 3.37Å; S158-G191 PolarHBondContact O-N 3.35Å; A189-G191 PolarHBondContact O-N 3.23Å
192	S	98.8	Very high	97.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	151.6	-178.2	69.7	0	0	0	0	113.6	Y39 A40 V157 S158 A189 H190	Y39-S192 VanDerWaalsContact CE2-CB 3.47Å; Y39-S192 VanDerWaalsContact OH-CB 3.29Å; Y39-S192 WeakPolarHBondContact OH-CB 3.43Å; A40-S192 CarbonylContact O-C 3.47Å; A40-S192 VanDerWaalsContact O-CA 3.31Å; A40-S192 WeakPolarHBondContact O-CA 3.49Å; V157-S192 VanDerWaalsContact CA-O 3.3Å; V157-S192 WeakPolarHBondContact CA-O 3.22Å; S158-S192 PolarHBondContact N-O 3.41Å; A189-S192 PolarHBondContact N-OG 2.83Å; A189-S192 VanDerWaalsContact O-CB 3.25Å; A189-S192 WeakPolarHBondContact O-CB 3.42Å; A189-S192 PolarHBondContact O-N 2.92Å; A189-S192 PolarHBondContact O-OG 3.03Å; H190-S192 PolarHBondContact O-N 3.21Å
193	L	98.8	Very high	97.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	125.7	168.2	170.6	59.9	0	0	0	109.1	W27 Y39 A40 L42 V115 T119 A155 S156 V157	W27-L193 HydrophobicContact CH2-CD2 3.64Å; W27-L193 HydrophobicContact CH2-CG 4.36Å; W27-L193 HydrophobicContact CZ3-CD2 4.21Å; W27-L193 HydrophobicContact CZ3-CG 4.45Å; Y39-L193 WeakPolarHBondContact CA-O 3.3Å; Y39-L193 WeakPolarHBondContact CD2-O 3.3Å; A40-L193 PolarHBondContact N-O 3.5Å; A40-L193 PolarHBondContact O-N 3Å; L42-L193 HydrophobicContact CB-CB 3.88Å; L42-L193 HydrophobicContact CD2-CB 4.17Å; L42-L193 HydrophobicContact CD2-CD2 4.12Å; V115-L193 HydrophobicContact CG1-CD1 4.47Å; V115-L193 HydrophobicContact CG1-CD2 4.49Å; V115-L193 HydrophobicContact CG2-CD1 4.44Å; T119-L193 HydrophobicContact CG2-CD2 4.02Å; A155-L193 HydrophobicContact CB-CD1 3.85Å; S156-L193 WeakPolarHBondContact O-CA 3.28Å; V157-L193 HydrophobicContact CG2-CD1 3.93Å
194	L	98.9	Very high	97.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	116.7	166.5	173.6	68.6	0	0	0	109	I30 C37 Y39 S156 F165 F167 L186 L188 M196	I30-L194 HydrophobicContact CD1-CD1 4.44Å; C37-L194 HydrophobicContact CB-CD1 3.87Å; Y39-L194 HydrophobicContact CD2-CB 4.3Å; S156-L194 PolarHBondContact N-O 3.3Å; S156-L194 PolarHBondContact O-N 3.2Å; F165-L194 HydrophobicContact CD1-CD2 4.07Å; F165-L194 HydrophobicContact CE1-CD2 3.93Å; F167-L194 HydrophobicContact CE2-CD2 4.44Å; F167-L194 HydrophobicContact CZ-CD2 4.08Å; L186-L194 HydrophobicContact CD2-CD1 3.89Å; L186-L194 HydrophobicContact CD2-CD2 4.39Å; L188-L194 HydrophobicContact CD2-CB 3.87Å; L188-L194 HydrophobicContact CD2-CD2 4.02Å; L188-L194 HydrophobicContact CD2-CG 4.47Å; L194-M196 HydrophobicContact CD2-CG 4.12Å; L194-M196 HydrophobicContact CD2-SD 4.41Å; L194-M196 HydrophobicContact CG-CG 4.13Å
195	L	98.4	Very high	97.7	Very high	11 Å²	11	33 Å²	33	6%	0.058	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	115.1	172.5	-163.8	67.9	0	0	0	109	C37 D38 T119 P153 A155 N197	C37-L195 CarbonylContact C-O 3.48Å; C37-L195 WeakPolarHBondContact CA-O 3.28Å; D38-L195 HydrophobicContact CB-CB 4.23Å; D38-L195 PolarHBondContact N-O 3.39Å; D38-L195 PolarHBondContact O-N 3.22Å; T119-L195 HydrophobicContact CG2-CD1 4.26Å; T119-L195 HydrophobicContact CG2-CD2 4.22Å; P153-L195 HydrophobicContact CB-CD1 3.61Å; P153-L195 HydrophobicContact CB-CD2 4.27Å; P153-L195 HydrophobicContact CB-CG 3.71Å; P153-L195 HydrophobicContact CG-CD1 3.67Å; P153-L195 HydrophobicContact CG-CD2 4.18Å; P153-L195 HydrophobicContact CG-CG 4.03Å; A155-L195 HydrophobicContact CB-CD1 3.89Å; L195-N197 WeakPolarHBondContact CD2-OD1 3.36Å
196	M	98.5	Very high	97.7	Very high	5 Å²	5	26.2 Å²	26.2	3%	0.025	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	99.6	176.2	-65	-177	-73	0	0	109.2	P153 I154 F165 F167 L194 T200	P153-M196 WeakPolarHBondContact CA-O 3.16Å; I154-M196 HydrophobicContact CB-CE 4.1Å; I154-M196 HydrophobicContact CG2-CE 3.73Å; I154-M196 PolarHBondContact N-O 3.38Å; I154-M196 VanDerWaalsContact N-O 3.08Å; I154-M196 PolarHBondContact O-N 3.43Å; F165-M196 HydrophobicContact CE1-SD 4.33Å; F165-M196 HydrophobicContact CZ-SD 4.33Å; F167-M196 HydrophobicContact CE1-CG 4.46Å; F167-M196 HydrophobicContact CE1-SD 3.91Å; F167-M196 HydrophobicContact CZ-CG 4.25Å; F167-M196 HydrophobicContact CZ-SD 4.06Å; L194-M196 HydrophobicContact CD2-CG 4.12Å; L194-M196 HydrophobicContact CD2-SD 4.41Å; L194-M196 HydrophobicContact CG-CG 4.13Å; M196-T200 HydrophobicContact CB-CG2 4.44Å
197	N	98.2	Very high	97.7	Very high	21 Å²	21	25.7 Å²	25.7	11%	0.112	14%	0.139	C	C	.	.			trans	-80.3	151.8	-177.2	-59	-50.9	0	0	0	111.5	D36 D38 P153 L195 T200	D36-N197 HydrophobicContact CB-CB 4.14Å; D36-N197 WeakPolarHBondContact O-CB 3.43Å; D36-N197 PolarHBondContact O-N 3.42Å; D36-N197 PolarHBondContact OD1-ND2 3.15Å; D38-N197 PolarHBondContact OD2-ND2 3.29Å; P153-N197 WeakPolarHBondContact CB-OD1 3.42Å; L195-N197 WeakPolarHBondContact CD2-OD1 3.36Å; N197-T200 WeakPolarHBondContact O-CB 3.48Å; N197-T200 PolarHBondContact O-N 2.78Å; N197-T200 PolarHBondContact O-OG1 2.88Å
198	P	96.4	Very high	97.7	Very high	56 Å²	56	20.5 Å²	20.5	36%	0.364	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	139	164.1	-22.1	33.7	0	0	0	110.5	P150	P150-P198 VanDerWaalsContact O-CG 3.23Å; P150-P198 WeakPolarHBondContact O-CG 3.49Å
199	P	96.4	Very high	97.7	Very high	51 Å²	51	22 Å²	22	33%	0.331	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	cis	-100	23.7	10	39.8	-36.2	0	0	0	114.2	N201 T202 F203	P199-N201 PolarHBondContact O-N 3.44Å; P199-T202 WeakPolarHBondContact O-CA 3.22Å; P199-T202 WeakPolarHBondContact O-CB 3.41Å; P199-T202 PolarHBondContact O-N 3.1Å; P199-F203 HydrophobicContact CB-CD2 3.95Å; P199-F203 HydrophobicContact CB-CE2 3.82Å; P199-F203 HydrophobicContact CG-CD2 4.01Å; P199-F203 HydrophobicContact CG-CE2 3.95Å
200	T	97.5	Very high	97.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-46	-55.7	-172.9	-68.8	0	0	0	0	113.7	G34 L35 D36 F167 M196 N197 T202 F203 W204	G34-T200 WeakPolarHBondContact O-CA 3.3Å; L35-T200 HydrophobicContact CD1-CG2 3.53Å; D36-T200 PolarHBondContact N-OG1 2.91Å; D36-T200 PolarHBondContact O-OG1 3.33Å; F167-T200 HydrophobicContact CD1-CG2 4.43Å; F167-T200 HydrophobicContact CE1-CG2 3.96Å; M196-T200 HydrophobicContact CB-CG2 4.44Å; N197-T200 WeakPolarHBondContact O-CB 3.48Å; N197-T200 PolarHBondContact O-N 2.78Å; N197-T200 PolarHBondContact O-OG1 2.88Å; T200-T202 PolarHBondContact O-N 3.22Å; T200-T202 VanDerWaalsContact O-N 3.07Å; T200-F203 PolarHBondContact O-N 2.72Å; T200-F203 VanDerWaalsContact O-N 3.1Å; T200-W204 HydrophobicContact CG2-CB 4.39Å; T200-W204 PolarHBondContact O-N 2.8Å
201	N	95.4	Very high	97.6	Very high	19 Å²	19	25.4 Å²	25.4	10%	0.102	14%	0.136	C	C	.	.	H	α-helix	trans	-68.3	-6.4	-179.3	-78.9	-61.3	0	0	0	114.3	R142 D143 P199 H206	R142-N201 VanDerWaalsContact CD-O 3.28Å; R142-N201 WeakPolarHBondContact CD-O 3.19Å; D143-N201 PolarHBondContact N-OD1 2.77Å; D143-N201 WeakPolarHBondContact O-CB 3.36Å; P199-N201 PolarHBondContact O-N 3.44Å; N201-H206 PolarHBondContact OD1-CE1 2.83Å; N201-H206 VanDerWaalsContact OD1-CE1 3.3Å; N201-H206 PolarHBondContact OD1-ND1 3.03Å
202	T	94.8	Very high	97.5	Very high	72 Å²	72	33.5 Å²	33.5	44%	0.442	17%	0.172	S	C	.	.	H	α-helix	trans	-81.8	-36	171.6	-62.3	0	0	0	0	111.8	R142 R170 P199 T200	R142-T202 PolarHBondContact NH1-O 3.19Å; R170-T202 PolarHBondContact NH1-O 3.49Å; P199-T202 WeakPolarHBondContact O-CA 3.22Å; P199-T202 WeakPolarHBondContact O-CB 3.41Å; P199-T202 PolarHBondContact O-N 3.1Å; T200-T202 PolarHBondContact O-N 3.22Å; T200-T202 VanDerWaalsContact O-N 3.07Å
203	F	95.5	Very high	97.4	Very high	59 Å²	59	43.1 Å²	43.1	26%	0.259	21%	0.213	S	C	.	.	H	α-helix	trans	-110.1	-30.4	-171	-66.5	-76.7	0	0	0	113.5	H169 R170 P199 T200	H169-F203 AromaticContact NE2-CD1 3.96Å; R170-F203 WeakPolarHBondContact CB-O 3.43Å; R170-F203 WeakPolarHBondContact CG-O 3.37Å; R170-F203 PolarHBondContact N-O 2.84Å; P199-F203 HydrophobicContact CB-CD2 3.95Å; P199-F203 HydrophobicContact CB-CE2 3.82Å; P199-F203 HydrophobicContact CG-CD2 4.01Å; P199-F203 HydrophobicContact CG-CE2 3.95Å; T200-F203 PolarHBondContact O-N 2.72Å; T200-F203 VanDerWaalsContact O-N 3.1Å
204	W	97.4	Very high	97.4	Very high	1 Å²	1	44.7 Å²	44.7	0%	0.004	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	126.8	-170.9	-67	83.4	0	0	0	111.6	A32 E33 G34 L35 R142 F167 H169 I181 V184 T200	A32-W204 HydrophobicContact CB-CH2 4.22Å; A32-W204 HydrophobicContact CB-CZ2 3.81Å; E33-W204 PolarHBondContact O-NE1 3.41Å; G34-W204 VanDerWaalsContact O-CD1 3.26Å; L35-W204 HydrophobicContact CB-CD2 4.24Å; L35-W204 HydrophobicContact CB-CG 4.3Å; L35-W204 HydrophobicContact CB-CZ2 4.19Å; L35-W204 HydrophobicContact CD1-CB 4.4Å; L35-W204 HydrophobicContact CD1-CD2 4.37Å; L35-W204 HydrophobicContact CD1-CG 4.07Å; R142-W204 WeakPolarHBondContact CG-O 3.31Å; F167-W204 HydrophobicContact CB-CD2 4.45Å; F167-W204 HydrophobicContact CB-CE3 3.67Å; F167-W204 HydrophobicContact CB-CZ3 4.26Å; F167-W204 HydrophobicContact CD1-CB 4.23Å; H169-W204 HydrophobicContact CB-CD2 4.06Å; H169-W204 HydrophobicContact CB-CE3 3.97Å; H169-W204 HydrophobicContact CB-CH2 3.87Å; H169-W204 HydrophobicContact CB-CZ2 3.92Å; H169-W204 HydrophobicContact CB-CZ3 3.89Å; H169-W204 AromaticContact CD2-CE2 3.59Å; H169-W204 AromaticContact CD2-CZ2 3.82Å; H169-W204 AromaticContact CD2-NE1 3.56Å; H169-W204 VanDerWaalsContact N-CZ3 3.3Å; I181-W204 HydrophobicContact CG2-CH2 3.88Å; I181-W204 HydrophobicContact CG2-CZ2 4.4Å; V184-W204 HydrophobicContact CG2-CH2 4.09Å; V184-W204 HydrophobicContact CG2-CZ3 4.16Å; T200-W204 HydrophobicContact CG2-CB 4.39Å; T200-W204 PolarHBondContact O-N 2.8Å
205	Y	97.5	Very high	97.4	Very high	51 Å²	51	51.6 Å²	51.6	20%	0.2	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	147.5	162.2	-75.3	-101.8	0	0	0	109	E140 H141 R142 F167 R168 R170 R173	E140-Y205 HydrophobicContact CB-CD1 4.43Å; H141-Y205 VanDerWaalsContact C-CD1 3.49Å; H141-Y205 CarbonylContact O-C 3.53Å; H141-Y205 WeakPolarHBondContact O-CA 3.34Å; R142-Y205 HydrophobicContact CG-CD1 3.69Å; R142-Y205 HydrophobicContact CG-CD2 3.93Å; R142-Y205 HydrophobicContact CG-CE1 3.77Å; R142-Y205 HydrophobicContact CG-CE2 4.07Å; R142-Y205 HydrophobicContact CG-CG 3.74Å; F167-Y205 CarbonylContact C-O 3.48Å; F167-Y205 VanDerWaalsContact CA-O 3.26Å; F167-Y205 WeakPolarHBondContact CA-O 3.37Å; R168-Y205 PolarHBondContact N-O 3Å; R168-Y205 PolarHBondContact O-N 3.12Å; R170-Y205 HydrophobicContact CB-CD2 4.14Å; R170-Y205 HydrophobicContact CB-CE2 3.89Å; R173-Y205 VanDerWaalsContact NH1-CE2 3.29Å
206	H	98.1	Very high	97.4	Very high	6 Å²	6	54 Å²	54	3%	0.028	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	156.5	174.4	59.9	-95.7	0	0	0	111.9	E140 H141 F165 V166 F167 N201	E140-H206 WeakPolarHBondContact CA-O 3.5Å; H141-H206 AromaticContact CD2-NE2 3.85Å; H141-H206 AromaticContact CE1-CD2 3.29Å; H141-H206 PolarHBondContact CE1-CD2 3.32Å; H141-H206 AromaticContact CE1-NE2 3.29Å; H141-H206 PolarHBondContact CE1-NE2 2.79Å; H141-H206 VanDerWaalsContact CE1-NE2 3.29Å; H141-H206 PolarHBondContact N-O 2.92Å; H141-H206 PolarHBondContact ND1-O 3.16Å; H141-H206 VanDerWaalsContact ND1-O 3.12Å; H141-H206 AromaticContact NE2-CD2 3.65Å; H141-H206 AromaticContact NE2-CE1 3.96Å; H141-H206 AromaticContact NE2-NE2 3.1Å; H141-H206 PolarHBondContact NE2-NE2 2.94Å; H141-H206 VanDerWaalsContact NE2-NE2 3.1Å; H141-H206 PolarHBondContact O-N 2.82Å; F165-H206 HydrophobicContact CE1-CB 3.55Å; F165-H206 HydrophobicContact CE2-CB 4.49Å; F165-H206 AromaticContact CE2-CD2 3.97Å; F165-H206 HydrophobicContact CZ-CB 3.56Å; F165-H206 AromaticContact CZ-CD2 3.35Å; F165-H206 WeakPolarHBondContact CZ-CD2 3.36Å; F165-H206 AromaticContact CZ-CG 3.63Å; V166-H206 CarbonylContact O-C 3.56Å; V166-H206 VanDerWaalsContact O-CA 3.26Å; V166-H206 WeakPolarHBondContact O-CA 3.35Å; F167-H206 HydrophobicContact CD1-CB 3.78Å; F167-H206 HydrophobicContact CE1-CB 3.94Å; N201-H206 PolarHBondContact OD1-CE1 2.83Å; N201-H206 VanDerWaalsContact OD1-CE1 3.3Å; N201-H206 PolarHBondContact OD1-ND1 3.03Å
207	S	98.1	Very high	97.4	Very high	11 Å²	11	55.5 Å²	55.5	8%	0.077	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	154.7	-176.6	61.2	0	0	0	0	112.1	M138 V166 P209	M138-S207 WeakPolarHBondContact O-CA 3.35Å; M138-S207 WeakPolarHBondContact O-CB 3.21Å; V166-S207 PolarHBondContact N-O 3.4Å; V166-S207 PolarHBondContact O-N 2.83Å; V166-S207 PolarHBondContact O-OG 3.22Å; S207-P209 WeakPolarHBondContact O-CD 3.32Å
208	L	98.3	Very high	97.4	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.01	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	84.7	169.3	-159.7	90.1	0	0	0	108.1	Y131 H137 M138 R163 F165	Y131-L208 HydrophobicContact CD1-CD2 3.75Å; Y131-L208 HydrophobicContact CD2-CD2 4Å; Y131-L208 HydrophobicContact CE1-CD2 3.5Å; Y131-L208 HydrophobicContact CE2-CD2 3.78Å; Y131-L208 HydrophobicContact CG-CD2 4Å; H137-L208 WeakPolarHBondContact CA-O 3.33Å; H137-L208 VanDerWaalsContact CB-O 3.23Å; H137-L208 WeakPolarHBondContact CB-O 3.35Å; M138-L208 HydrophobicContact CB-CB 4.26Å; M138-L208 PolarHBondContact N-O 2.85Å; M138-L208 VanDerWaalsContact N-O 3.07Å; M138-L208 PolarHBondContact O-N 2.69Å; R163-L208 HydrophobicContact CB-CD1 3.74Å; R163-L208 HydrophobicContact CB-CD2 4.28Å; R163-L208 HydrophobicContact CB-CG 4.17Å; R163-L208 HydrophobicContact CG-CD2 4.3Å; F165-L208 HydrophobicContact CD2-CD1 3.92Å
209	P	97.9	Very high	97.5	Very high	30 Å²	30	52 Å²	52	20%	0.195	27%	0.265	C	S	.	.			trans	-68.3	161.8	-171.4	28.6	-38.8	0	0	0	113.5	R163 D164 V166 S207 R211	R163-P209 PolarHBondContact NH2-O 3.24Å; D164-P209 WeakPolarHBondContact O-CD 3.49Å; V166-P209 HydrophobicContact CG2-CG 3.99Å; S207-P209 WeakPolarHBondContact O-CD 3.32Å; P209-R211 VanDerWaalsContact CG-NH1 3.3Å; P209-R211 PolarHBondContact O-N 3.08Å
210	V	98.2	Very high	97.7	Very high	58 Å²	58	49.9 Å²	49.9	35%	0.352	25%	0.251	S	S	.	.			trans	-59.1	133.4	174.5	173.5	0	0	0	0	110.7	G134 H137 K212	G134-V210 CarbonylContact O-C 3.48Å; G134-V210 WeakPolarHBondContact O-CA 3.45Å; G134-V210 WeakPolarHBondContact O-CG1 3.4Å; H137-V210 HydrophobicContact CB-CG2 3.83Å; V210-K212 HydrophobicContact CG1-CG 3.92Å
211	R	97.8	Very high	97.7	Very high	81 Å²	81	49.9 Å²	49.9	31%	0.306	25%	0.251	S	S	.	.			trans	-137.6	80.3	176.5	-69	-64.3	-179.3	-85.1	-3.2	109.8	G134 D164 P209 K213 V214	G134-R211 VanDerWaalsContact CA-O 3.31Å; G134-R211 WeakPolarHBondContact CA-O 3.46Å; G134-R211 PolarHBondContact O-N 2.68Å; D164-R211 IonicContact OD2-CZ 3.34Å; D164-R211 IonicContact OD2-NE 3.12Å; D164-R211 PolarHBondContact OD2-NE 3.27Å; D164-R211 IonicContact OD2-NH2 2.71Å; D164-R211 PolarHBondContact OD2-NH2 3.47Å; P209-R211 VanDerWaalsContact CG-NH1 3.3Å; P209-R211 PolarHBondContact O-N 3.08Å; R211-K213 PolarHBondContact O-N 3.35Å; R211-V214 HydrophobicContact CB-CG2 3.94Å; R211-V214 PolarHBondContact O-N 3.21Å
212	K	96.3	Very high	97.9	Very high	170 Å²	170	49.5 Å²	49.5	74%	0.739	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-18.1	-171.5	-61.8	-174	178.3	-176.2	0	116.4	V210	V210-K212 HydrophobicContact CG1-CG 3.92Å
213	K	97.9	Very high	98	Very high	202 Å²	202	46.1 Å²	46.1	88%	0.878	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-12.5	177.7	-64.8	-175.5	177.6	-177.4	0	113.6	R211	R211-K213 PolarHBondContact O-N 3.35Å
214	V	98.3	Very high	98.1	Very high	33 Å²	33	43.9 Å²	43.9	20%	0.2	22%	0.218	C	C	.	.			trans	-83.9	117.7	174.8	-179.5	0	0	0	0	108.2	G134 A161 R211	G134-V214 WeakPolarHBondContact CA-O 3.49Å; G134-V214 PolarHBondContact N-O 3.28Å; A161-V214 HydrophobicContact CB-CG1 3.73Å; R211-V214 HydrophobicContact CB-CG2 3.94Å; R211-V214 PolarHBondContact O-N 3.21Å
215	L	98.3	Very high	98	Very high	144 Å²	144	48.8 Å²	48.8	75%	0.754	24%	0.237	S	C	*	.			trans	-110.8	-12.9	-175.2	-55.1	-179.4	0	0	0	113
216	S	98.3	Very high	97.8	Very high	62 Å²	62	46.7 Å²	46.7	43%	0.434	23%	0.229	S	C	.	.	S	Bend	trans	-95.1	152.3	-179.8	41.1	0	0	0	0	111.9	A161	A161-S216 WeakPolarHBondContact CB-O 3.43Å; A161-S216 VanDerWaalsContact CB-OG 3.31Å; A161-S216 WeakPolarHBondContact CB-OG 3.45Å
217	P	98.6	Very high	97.4	Very high	37 Å²	37	50.7 Å²	50.7	24%	0.24	25%	0.25	C	C	.	.			trans	-71	155.7	179.7	28.7	-35.9	0	0	0	112.8	F52 Y131 K132 A161	F52-P217 HydrophobicContact CE1-CG 4.36Å; F52-P217 HydrophobicContact CZ-CB 4.13Å; F52-P217 HydrophobicContact CZ-CG 3.73Å; Y131-P217 CarbonylContact O-C 3.54Å; Y131-P217 VanDerWaalsContact O-CA 3.24Å; Y131-P217 WeakPolarHBondContact O-CA 3.47Å; K132-P217 WeakPolarHBondContact O-CA 3.33Å; A161-P217 WeakPolarHBondContact CB-O 3.26Å; A161-P217 PolarHBondContact N-O 3.46Å
218	R	98.8	Very high	96.5	Very high	3 Å²	3	53.6 Å²	53.6	1%	0.011	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	132.7	170.9	175.3	-176.9	176.7	-97.2	-4.2	109.6	R130 Y131 S158 L159 A161 R163 N220	R130-R218 WeakPolarHBondContact CA-O 3.44Å; Y131-R218 HydrophobicContact CD2-CB 4.41Å; Y131-R218 HydrophobicContact CD2-CG 4.4Å; Y131-R218 PolarHBondContact N-O 2.92Å; Y131-R218 PolarHBondContact O-N 2.72Å; S158-R218 PolarHBondContact OG-NH2 3.33Å; L159-R218 CarbonylContact O-C 3.55Å; L159-R218 WeakPolarHBondContact O-CA 3.19Å; A161-R218 HydrophobicContact CB-CB 4.4Å; A161-R218 WeakPolarHBondContact O-CD 3.29Å; R163-R218 VanDerWaalsContact CG-CD 3.47Å; R218-N220 PolarHBondContact NH2-OD1 2.88Å
219	I	98.9	Very high	95	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	133.8	166.3	-64.8	167.1	0	0	0	108.2	F52 L55 E56 I128 R130 L159 L221	F52-I219 HydrophobicContact CD2-CB 4.41Å; F52-I219 HydrophobicContact CD2-CD1 3.93Å; F52-I219 HydrophobicContact CD2-CG1 4.27Å; F52-I219 HydrophobicContact CE2-CB 4.24Å; F52-I219 HydrophobicContact CE2-CD1 3.73Å; F52-I219 HydrophobicContact CE2-CG1 3.79Å; F52-I219 HydrophobicContact CZ-CD1 4.37Å; L55-I219 HydrophobicContact CB-CD1 3.86Å; L55-I219 HydrophobicContact CD1-CG2 4.28Å; E56-I219 HydrophobicContact CG-CD1 4.02Å; E56-I219 WeakPolarHBondContact OE1-CD1 3.21Å; I128-I219 HydrophobicContact CG2-CG2 3.9Å; R130-I219 HydrophobicContact CB-CG1 4.36Å; R130-I219 HydrophobicContact CG-CG1 4.1Å; L159-I219 PolarHBondContact N-O 3.33Å; L159-I219 PolarHBondContact O-N 3.34Å; I219-L221 HydrophobicContact CG2-CD2 4.23Å; I219-L221 HydrophobicContact CG2-CG 4.45Å
220	N	98.9	Very high	93	Very high	6 Å²	6	63.2 Å²	63.2	3%	0.032	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	129.4	174.7	170.8	104	0	0	0	109.6	I128 N129 Y131 S156 V157 R218 T222	I128-N220 CarbonylContact C-O 3.57Å; I128-N220 WeakPolarHBondContact CA-O 3.27Å; N129-N220 HydrophobicContact CB-CB 4.37Å; N129-N220 PolarHBondContact N-O 3.2Å; N129-N220 PolarHBondContact O-N 3.3Å; Y131-N220 HydrophobicContact CE2-CB 4.16Å; S156-N220 PolarHBondContact OG-OD1 3.02Å; V157-N220 WeakPolarHBondContact O-CA 3.15Å; R218-N220 PolarHBondContact NH2-OD1 2.88Å; N220-T222 PolarHBondContact ND2-OG1 2.78Å
221	L	98.8	Very high	90.8	Very high	1 Å²	1	63 Å²	63	1%	0.005	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	111.3	176.4	-55.1	168.1	0	0	0	108	L55 L108 I111 V126 I128 S156 V157 I219 F223	L55-L221 HydrophobicContact CD1-CD1 3.97Å; L55-L221 HydrophobicContact CD1-CD2 4.39Å; L108-L221 HydrophobicContact CD2-CD1 4.38Å; L108-L221 HydrophobicContact CD2-CD2 3.63Å; I111-L221 HydrophobicContact CB-CD1 4.39Å; I111-L221 HydrophobicContact CD1-CD1 3.44Å; I111-L221 VanDerWaalsContact CD1-CD1 3.44Å; I111-L221 HydrophobicContact CG1-CD1 4.48Å; I111-L221 HydrophobicContact CG2-CD1 3.86Å; V126-L221 HydrophobicContact CG2-CB 3.88Å; V126-L221 HydrophobicContact CG2-CD2 4.31Å; I128-L221 HydrophobicContact CB-CD2 4.29Å; I128-L221 HydrophobicContact CD1-CD2 3.86Å; I128-L221 HydrophobicContact CG1-CD2 3.69Å; I128-L221 HydrophobicContact CG2-CD2 3.94Å; S156-L221 CarbonylContact C-O 3.57Å; S156-L221 WeakPolarHBondContact CA-O 3.29Å; V157-L221 HydrophobicContact CB-CB 4.27Å; V157-L221 HydrophobicContact CB-CD1 4.48Å; V157-L221 HydrophobicContact CG1-CD1 4.46Å; V157-L221 PolarHBondContact N-O 2.79Å; V157-L221 PolarHBondContact O-N 3.18Å; I219-L221 HydrophobicContact CG2-CD2 4.23Å; I219-L221 HydrophobicContact CG2-CG 4.45Å; L221-F223 HydrophobicContact CB-CD2 4.22Å; L221-F223 HydrophobicContact CB-CE2 3.63Å; L221-F223 HydrophobicContact CB-CZ 4.19Å; L221-F223 HydrophobicContact CD1-CE2 4.21Å; L221-F223 HydrophobicContact CD1-CZ 4.32Å
222	T	98.4	Very high	88.7	Confident	11 Å²	11	62.3 Å²	62.3	7%	0.067	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	94.4	176.7	-57.6	0	0	0	0	108.6	V126 L127 I154 A155 N220 R224	V126-T222 WeakPolarHBondContact CA-O 3.43Å; L127-T222 PolarHBondContact N-O 3.25Å; L127-T222 PolarHBondContact O-N 3.35Å; I154-T222 HydrophobicContact CG2-CG2 3.3Å; A155-T222 CarbonylContact O-C 3.58Å; A155-T222 WeakPolarHBondContact O-CA 3.47Å; N220-T222 PolarHBondContact ND2-OG1 2.78Å; T222-R224 HydrophobicContact CG2-CG 4.26Å
223	F	98.4	Very high	86.6	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	135.7	177	-66.8	-84.6	0	0	0	110.8	W104 I111 R112 V115 F123 F125 V126 A155 V157 L221	W104-F223 HydrophobicContact CH2-CD1 4.15Å; W104-F223 HydrophobicContact CH2-CE1 4.08Å; W104-F223 HydrophobicContact CZ3-CD1 4.41Å; W104-F223 AromaticContact CZ3-CE1 3.9Å; W104-F223 HydrophobicContact CZ3-CE1 3.9Å; I111-F223 HydrophobicContact CB-CZ 4.18Å; I111-F223 HydrophobicContact CG2-CE2 3.68Å; I111-F223 HydrophobicContact CG2-CZ 3.73Å; R112-F223 HydrophobicContact CB-CD1 4.31Å; R112-F223 HydrophobicContact CB-CE1 3.7Å; R112-F223 HydrophobicContact CB-CZ 4.29Å; R112-F223 HydrophobicContact CG-CD1 4.3Å; R112-F223 HydrophobicContact CG-CE1 4.17Å; V115-F223 HydrophobicContact CG2-CD2 4.43Å; V115-F223 HydrophobicContact CG2-CE2 4.38Å; F123-F223 HydrophobicContact CB-CB 3.93Å; F123-F223 HydrophobicContact CB-CD1 4.37Å; F123-F223 HydrophobicContact CD1-CB 3.74Å; F123-F223 HydrophobicContact CD2-CB 4.31Å; F123-F223 HydrophobicContact CE1-CB 4.32Å; F123-F223 HydrophobicContact CG-CB 3.72Å; F125-F223 CarbonylContact O-C 3.54Å; F125-F223 WeakPolarHBondContact O-CA 3.41Å; V126-F223 HydrophobicContact CB-CD1 3.76Å; V126-F223 HydrophobicContact CB-CE1 3.85Å; V126-F223 HydrophobicContact CB-CG 4.38Å; V126-F223 HydrophobicContact CG1-CE1 4.5Å; V126-F223 HydrophobicContact CG2-CD1 3.86Å; V126-F223 HydrophobicContact CG2-CD2 4.29Å; V126-F223 HydrophobicContact CG2-CE1 3.85Å; V126-F223 HydrophobicContact CG2-CE2 4.29Å; V126-F223 HydrophobicContact CG2-CG 4.08Å; V126-F223 HydrophobicContact CG2-CZ 4.08Å; A155-F223 HydrophobicContact CB-CB 4.17Å; A155-F223 PolarHBondContact N-O 3.04Å; A155-F223 VanDerWaalsContact N-O 3.12Å; A155-F223 PolarHBondContact O-N 2.94Å; V157-F223 HydrophobicContact CB-CE2 4.5Å; V157-F223 HydrophobicContact CG2-CD2 4.42Å; V157-F223 HydrophobicContact CG2-CE2 4.17Å; L221-F223 HydrophobicContact CB-CD2 4.22Å; L221-F223 HydrophobicContact CB-CE2 3.63Å; L221-F223 HydrophobicContact CB-CZ 4.19Å; L221-F223 HydrophobicContact CD1-CE2 4.21Å; L221-F223 HydrophobicContact CD1-CZ 4.32Å
224	R	97.1	Very high	84.3	Confident	13 Å²	13	51.4 Å²	51.4	5%	0.049	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	156.1	-175.5	-53.9	-175.9	-177.8	-176	-6.7	110.4	N124 F125 D143 E145 L148 I154 T222	N124-R224 PolarHBondContact N-O 2.82Å; N124-R224 PolarHBondContact OD1-O 3.24Å; F125-R224 HydrophobicContact CD1-CB 4.2Å; F125-R224 HydrophobicContact CD1-CG 4.47Å; F125-R224 PolarHBondContact N-O 3.38Å; F125-R224 PolarHBondContact O-N 2.7Å; D143-R224 IonicContact OD1-CZ 3.98Å; D143-R224 IonicContact OD1-NH2 3.55Å; D143-R224 PolarHBondContact OD1-NH2 2.86Å; D143-R224 IonicContact OD2-CZ 2.83Å; D143-R224 IonicContact OD2-NE 3.71Å; D143-R224 IonicContact OD2-NH2 3.88Å; D143-R224 PolarHBondContact OD2-NH2 2.91Å; E145-R224 IonicContact OE1-CZ 2.67Å; E145-R224 IonicContact OE1-NH1 3.83Å; E145-R224 PolarHBondContact OE1-NH1 2.76Å; E145-R224 IonicContact OE2-NH1 2.72Å; E145-R224 PolarHBondContact OE2-NH1 3.32Å; L148-R224 HydrophobicContact CD2-CB 3.72Å; L148-R224 HydrophobicContact CD2-CG 4.11Å; I154-R224 HydrophobicContact CG1-CG 4.41Å; I154-R224 HydrophobicContact CG2-CG 4.38Å; T222-R224 HydrophobicContact CG2-CG 4.26Å
225	R	95.8	Very high	82	Confident	104 Å²	104	57.1 Å²	57.1	39%	0.392	30%	0.299	S	S	.	.			trans	-104.9	108.6	167.2	-175.8	173.9	177.7	118	1.9	108.6	N124 D149 C152	N124-R225 WeakPolarHBondContact OD1-CA 3.36Å; D149-R225 HydrophobicContact CB-CB 4.15Å; D149-R225 HydrophobicContact CB-CG 3.99Å; D149-R225 PolarHBondContact N-O 3.48Å; D149-R225 WeakPolarHBondContact OD2-CD 3.33Å; D149-R225 IonicContact OD2-NE 3.68Å; D149-R225 PolarHBondContact OD2-NE 2.63Å; C152-R225 HydrophobicContact CB-CB 3.87Å
226	I	93.1	Very high	80.1	Confident	7 Å²	7	54.6 Å²	54.6	4%	0.036	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-88.2	130.4	175.5	-57.5	-72.2	0	0	0	108	L90 N124 F125 E147 L148 E228	L90-I226 HydrophobicContact CD1-CB 4.26Å; L90-I226 HydrophobicContact CD2-CG1 4.39Å; L90-I226 HydrophobicContact CD2-CG2 4.48Å; N124-I226 PolarHBondContact ND2-O 2.87Å; N124-I226 PolarHBondContact OD1-N 2.9Å; F125-I226 HydrophobicContact CB-CG1 3.6Å; F125-I226 HydrophobicContact CD1-CD1 4.35Å; F125-I226 HydrophobicContact CD1-CG1 4.2Å; F125-I226 HydrophobicContact CG-CD1 4.48Å; F125-I226 HydrophobicContact CG-CG1 3.88Å; E147-I226 HydrophobicContact CB-CG2 4.24Å; E147-I226 HydrophobicContact CG-CD1 4.06Å; E147-I226 HydrophobicContact CG-CG2 4.37Å; E147-I226 CarbonylContact O-C 3.6Å; E147-I226 WeakPolarHBondContact O-CA 3.43Å; L148-I226 HydrophobicContact CD2-CD1 3.58Å; I226-E228 PolarHBondContact O-N 3.38Å
227	L	90.1	Very high	77.8	Confident	89 Å²	89	56.3 Å²	56.3	47%	0.466	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-68.2	116.9	171.4	-63.1	175.9	0	0	0	108.6	E147 D149	E147-L227 PolarHBondContact O-N 2.94Å; D149-L227 HydrophobicContact CB-CD2 3.75Å; D149-L227 HydrophobicContact CB-CG 4.19Å
228	E	78.9	Confident	75.7	Confident	73 Å²	73	59.8 Å²	59.8	34%	0.341	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-86.2	132.3	175.2	-68.1	166.9	-169	0	0	108.8	N124 I226 I230 Q233	N124-E228 PolarHBondContact ND2-OE1 3.09Å; I226-E228 PolarHBondContact O-N 3.38Å; E228-I230 PolarHBondContact O-N 3.11Å; E228-I230 VanDerWaalsContact O-N 3.08Å; E228-Q233 PolarHBondContact OE2-NE2 3.22Å
229	D	67.1	Low	73.4	Confident	105 Å²	105	65.5 Å²	65.5	56%	0.561	33%	0.33	S	S	*	.			trans	-71.4	106	177.4	-164.9	-13.2	0	0	0	109.3	A231 E232 Q233	D229-A231 PolarHBondContact O-N 2.72Å; D229-A231 PolarHBondContact OD1-N 3.11Å; D229-E232 HydrophobicContact CB-CB 4.39Å; D229-E232 HydrophobicContact CB-CG 4.44Å; D229-E232 PolarHBondContact O-N 3.37Å; D229-Q233 PolarHBondContact O-N 3.48Å
230	I	55	Low	71.3	Confident	129 Å²	129	71.7 Å²	71.7	66%	0.662	36%	0.362	S	S	*	.	H	α-helix	trans	-53.7	-29.7	-177.5	-61.2	173.8	0	0	0	111.2	E228 S234	E228-I230 PolarHBondContact O-N 3.11Å; E228-I230 VanDerWaalsContact O-N 3.08Å; I230-S234 PolarHBondContact O-N 3.24Å; I230-S234 PolarHBondContact O-OG 3.03Å
231	A	51.6	Low	68.9	Low	54 Å²	54	79.8 Å²	79.8	45%	0.446	40%	0.397	S	S	.	.	H	α-helix	trans	-73.5	-33.1	177.9	0	0	0	0	0	113.6	D229 K235	D229-A231 PolarHBondContact O-N 2.72Å; D229-A231 PolarHBondContact OD1-N 3.11Å; A231-K235 WeakPolarHBondContact O-CG 3.49Å
232	E	54.3	Low	66.3	Low	66 Å²	66	85.6 Å²	85.6	31%	0.308	43%	0.428	S	S	.	.	H	α-helix	trans	-75	-36.6	175.6	-78.8	-164.7	178.7	0	0	111.4	R98 D229 K235 R236	R98-E232 IonicContact NH1-OE1 3.41Å; R98-E232 IonicContact NH2-OE1 3.52Å; R98-E232 PolarHBondContact NH2-OE1 2.99Å; R98-E232 IonicContact NH2-OE2 3.08Å; R98-E232 PolarHBondContact NH2-OE2 3.49Å; D229-E232 HydrophobicContact CB-CB 4.39Å; D229-E232 HydrophobicContact CB-CG 4.44Å; D229-E232 PolarHBondContact O-N 3.37Å; E232-K235 PolarHBondContact O-N 2.82Å; E232-R236 WeakPolarHBondContact O-CG 3.41Å; E232-R236 PolarHBondContact O-N 2.97Å; E232-R236 VanDerWaalsContact O-N 3.07Å; E232-R236 IonicContact OE2-NH2 3.61Å; E232-R236 PolarHBondContact OE2-NH2 3.08Å; E232-R236 VanDerWaalsContact OE2-NH2 3.08Å
233	Q	52	Low	63.7	Low	80 Å²	80	90 Å²	90	37%	0.374	46%	0.457	S	S	.	.	H	α-helix	trans	-64.7	-42.8	176.6	-94.5	176.1	-18.8	0	0	113.1	E228 D229 K235 R236 N237	E228-Q233 PolarHBondContact OE2-NE2 3.22Å; D229-Q233 PolarHBondContact O-N 3.48Å; Q233-K235 VanDerWaalsContact C-N 3.26Å; Q233-K235 PolarHBondContact O-N 3.41Å; Q233-R236 PolarHBondContact O-N 3.07Å; Q233-N237 WeakPolarHBondContact O-CB 3.25Å; Q233-N237 PolarHBondContact O-N 2.88Å
234	S	48.8	Very low	61.4	Low	63 Å²	63	101.4 Å²	101.4	44%	0.441	52%	0.518	S	S	.	.	H	α-helix	trans	-60.4	-38.4	177.9	-59.2	0	0	0	0	111.5	I230 I238	I230-S234 PolarHBondContact O-N 3.24Å; I230-S234 PolarHBondContact O-OG 3.03Å; S234-I238 VanDerWaalsContact O-CD1 3.29Å; S234-I238 WeakPolarHBondContact O-CD1 3.47Å; S234-I238 WeakPolarHBondContact O-CG1 3.32Å; S234-I238 PolarHBondContact O-N 2.68Å
235	K	51.5	Low	59.7	Low	153 Å²	153	105.9 Å²	105.9	67%	0.665	54%	0.541	S	S	*	.	H	α-helix	trans	-70.7	-39.5	176.3	-68.6	175.7	-176.4	177.5	0	112.8	A231 E232 Q233 I238 N239	A231-K235 WeakPolarHBondContact O-CG 3.49Å; E232-K235 PolarHBondContact O-N 2.82Å; Q233-K235 VanDerWaalsContact C-N 3.26Å; Q233-K235 PolarHBondContact O-N 3.41Å; K235-I238 PolarHBondContact O-N 3.38Å; K235-N239 PolarHBondContact O-N 3.27Å
236	R	56.9	Low	57.8	Low	91 Å²	91	105.9 Å²	105.9	34%	0.343	55%	0.549	S	S	.	.	H	α-helix	trans	-66.4	-41.7	176.8	-71.6	178.7	-164.7	176.4	8.2	112.3	G89 I91 E232 Q233 I238 N239 I240	G89-R236 PolarHBondContact O-NH1 2.88Å; I91-R236 VanDerWaalsContact CD1-NH2 3.35Å; E232-R236 WeakPolarHBondContact O-CG 3.41Å; E232-R236 PolarHBondContact O-N 2.97Å; E232-R236 VanDerWaalsContact O-N 3.07Å; E232-R236 IonicContact OE2-NH2 3.61Å; E232-R236 PolarHBondContact OE2-NH2 3.08Å; E232-R236 VanDerWaalsContact OE2-NH2 3.08Å; Q233-R236 PolarHBondContact O-N 3.07Å; R236-I238 VanDerWaalsContact C-N 3.27Å; R236-I238 PolarHBondContact O-N 3.45Å; R236-N239 PolarHBondContact O-N 3.01Å; R236-I240 WeakPolarHBondContact O-CG1 3.33Å; R236-I240 PolarHBondContact O-N 3.15Å; R236-I240 VanDerWaalsContact O-N 3.1Å
237	N	51.5	Low	55.8	Low	97 Å²	97	111.4 Å²	111.4	52%	0.519	58%	0.578	S	S	.	*	H	α-helix	trans	-67	-27.9	178.3	-73.7	-20	0	0	0	113.1	Q233 K241	Q233-N237 WeakPolarHBondContact O-CB 3.25Å; Q233-N237 PolarHBondContact O-N 2.88Å; N237-K241 WeakPolarHBondContact O-CG 3.32Å
238	I	54.3	Low	53.8	Low	111 Å²	111	112.8 Å²	112.8	57%	0.569	58%	0.584	S	S	*	*	H	α-helix	trans	-71.3	-44.3	172.3	-67.9	164.2	0	0	0	110.5	S234 K235 R236 I240 K241 N242	S234-I238 VanDerWaalsContact O-CD1 3.29Å; S234-I238 WeakPolarHBondContact O-CD1 3.47Å; S234-I238 WeakPolarHBondContact O-CG1 3.32Å; S234-I238 PolarHBondContact O-N 2.68Å; K235-I238 PolarHBondContact O-N 3.38Å; R236-I238 VanDerWaalsContact C-N 3.27Å; R236-I238 PolarHBondContact O-N 3.45Å; I238-I240 VanDerWaalsContact C-N 3.34Å; I238-I240 PolarHBondContact O-N 3.24Å; I238-K241 PolarHBondContact O-N 3.03Å; I238-N242 PolarHBondContact O-N 2.81Å
239	N	50.4	Low	52.2	Low	122 Å²	122	115.3 Å²	115.3	65%	0.652	60%	0.599	S	S	*	*	H	α-helix	trans	-68	-28.9	-178.6	-121.1	31.4	0	0	0	114	K235 R236 N242	K235-N239 PolarHBondContact O-N 3.27Å; R236-N239 PolarHBondContact O-N 3.01Å; N239-N242 CarbonylContact O-C 3.55Å
240	I	53.6	Low	51.2	Low	131 Å²	131	115.9 Å²	115.9	67%	0.672	60%	0.602	S	S	*	*	H	α-helix	trans	-75.2	-28.1	175.8	-64.4	165.9	0	0	0	111.4	R236 I238	R236-I240 WeakPolarHBondContact O-CG1 3.33Å; R236-I240 PolarHBondContact O-N 3.15Å; R236-I240 VanDerWaalsContact O-N 3.1Å; I238-I240 VanDerWaalsContact C-N 3.34Å; I238-I240 PolarHBondContact O-N 3.24Å
241	K	49.4	Very low	51	Low	176 Å²	176	115 Å²	115	77%	0.765	60%	0.598	S	S	*	*	H	α-helix	trans	-84.8	-20.9	-179.8	-73.4	-174.9	177.9	-174.2	0	113.8	N237 I238	N237-K241 WeakPolarHBondContact O-CG 3.32Å; I238-K241 PolarHBondContact O-N 3.03Å
242	N	43.7	Very low	50.9	Low	123 Å²	123	119.7 Å²	119.7	66%	0.658	61%	0.609	S	S	*	*	S	Bend	trans	-128.9	79.1	172.1	-78.2	-10.8	0	0	0	109.3	I238 N239 D244	I238-N242 PolarHBondContact O-N 2.81Å; N239-N242 CarbonylContact O-C 3.55Å; N242-D244 PolarHBondContact O-N 3.49Å
243	P	43.7	Very low	50.6	Low	103 Å²	103	124.2 Å²	124.2	67%	0.669	63%	0.634	S	S	*	*			trans	-68.7	127.7	163.2	29.4	-29.1	0	0	0	108.1
244	D	51.7	Low	50.5	Low	240 Å²	240	128.2 Å²	128.2	100%	1.283	66%	0.658	S	S	*	*			trans	-55.2	0	170.5	-73.1	-40.4	0	0	0	112.2	N242	N242-D244 PolarHBondContact O-N 3.49Å

Retrieved 244 of 244 residues in 369 ms (Link to these results)

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