A0A077ZDJ0_TRITR Loading...

Ldl recept a and CUB and Trypsin domain containin g protein

AlphaFold DB , UniProt , Accession A0A077ZDJ0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 666 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	43.5	Very low	37.4	Very low	234 Å²	234	151.8 Å²	151.8	100%	1.153	82%	0.823	S	S	*	*				0	93.5	0	-78.3	-79.5	-155.5	0	0	107.7	V3	M1-V3 PolarHBondContact O-N 3.34Å
2	L	40.9	Very low	37.1	Very low	177 Å²	177	152.1 Å²	152.1	93%	0.927	82%	0.822	S	S	*	*			trans	-73.7	109.7	171.2	-86.2	121.2	0	0	0	107.8
3	V	42.6	Very low	36.8	Very low	121 Å²	121	155 Å²	155	73%	0.733	82%	0.823	S	S	*	*			trans	-95.2	106.6	176.2	179.2	0	0	0	0	107.9	M1	M1-V3 PolarHBondContact O-N 3.34Å
4	W	35.4	Very low	36.4	Very low	243 Å²	243	150.4 Å²	150.4	92%	0.92	82%	0.817	S	S	*	*			trans	-68.5	123.4	166.5	-105.8	46.7	0	0	0	109.5
5	L	36.5	Very low	36	Very low	156 Å²	156	153.5 Å²	153.5	82%	0.817	82%	0.82	S	S	*	*			trans	-107.4	131.8	166.1	-92.4	156.9	0	0	0	108.7
6	P	35.6	Very low	35.7	Very low	105 Å²	105	155.4 Å²	155.4	68%	0.682	82%	0.822	S	S	*	*			trans	-82.2	154.2	-174	33.7	-33.7	0	0	0	112.3
7	P	38.1	Very low	35.8	Very low	133 Å²	133	152.4 Å²	152.4	86%	0.864	82%	0.817	S	S	*	*			trans	-86.2	119	-175.9	33.5	-29.3	0	0	0	110
8	A	36.6	Very low	35.9	Very low	85 Å²	85	149.6 Å²	149.6	70%	0.702	82%	0.818	S	S	*	*			trans	-133.3	131.5	171.2	0	0	0	0	0	109.9
9	L	36	Very low	36.2	Very low	152 Å²	152	147.9 Å²	147.9	80%	0.796	81%	0.813	S	S	*	*			trans	76.4	73	167.3	-65.6	113.2	0	0	0	118.4	V11	L9-V11 HydrophobicContact CD2-CG2 4.2Å
10	L	32.4	Very low	36.5	Very low	168 Å²	168	144.4 Å²	144.4	88%	0.88	80%	0.804	S	S	*	*			trans	-94.1	71.1	141.5	-99.2	151.9	0	0	0	108.2	L12	L10-L12 PolarHBondContact O-N 3.07Å
11	V	33.4	Very low	37	Very low	96 Å²	96	140.3 Å²	140.3	58%	0.582	79%	0.789	S	S	*	*			trans	-88.5	101.8	161.4	178.8	0	0	0	0	105.8	L9 F13	L9-V11 HydrophobicContact CD2-CG2 4.2Å; V11-F13 VanDerWaalsContact C-N 3.35Å; V11-F13 PolarHBondContact O-N 2.72Å
12	L	33.8	Very low	37.6	Very low	155 Å²	155	134.1 Å²	134.1	81%	0.812	76%	0.764	S	S	*	*			trans	-56.4	97.3	169.8	-76.9	156.2	0	0	0	108.5	L10 A14	L10-L12 PolarHBondContact O-N 3.07Å; L12-A14 PolarHBondContact O-N 2.84Å
13	F	33.1	Very low	38.7	Very low	190 Å²	190	131.6 Å²	131.6	83%	0.833	75%	0.748	S	S	*	*			trans	-65.9	93.1	159.9	-76.5	-80.9	0	0	0	107.1	V11 K15	V11-F13 VanDerWaalsContact C-N 3.35Å; V11-F13 PolarHBondContact O-N 2.72Å; F13-K15 PolarHBondContact O-N 3.17Å
14	A	31.8	Very low	40	Very low	90 Å²	90	129.2 Å²	129.2	74%	0.744	73%	0.726	S	S	*	*			trans	-53.4	111.6	155.8	0	0	0	0	0	106.1	L12 E16	L12-A14 PolarHBondContact O-N 2.84Å; A14-E16 PolarHBondContact O-N 2.78Å
15	K	30.1	Very low	41.7	Very low	198 Å²	198	121.7 Å²	121.7	86%	0.861	71%	0.707	S	S	*	*			trans	-61.3	89.9	169.3	-82.1	177.7	172	177.7	0	107.1	F13 S17	F13-K15 PolarHBondContact O-N 3.17Å; K15-S17 VanDerWaalsContact C-N 3.32Å; K15-S17 PolarHBondContact O-N 3.14Å
16	E	32.2	Very low	43.3	Very low	183 Å²	183	115.6 Å²	115.6	86%	0.855	67%	0.674	S	S	*	*			trans	-55.4	109.1	152.8	-86.3	178.6	157.6	0	0	105.7	A14 A18	A14-E16 PolarHBondContact O-N 2.78Å; E16-A18 PolarHBondContact O-N 3.27Å
17	S	36.6	Very low	44.6	Very low	105 Å²	105	112.2 Å²	112.2	73%	0.734	65%	0.65	S	S	*	*			trans	-60.8	109.5	171.2	-62.8	0	0	0	0	104.9	K15 V19	K15-S17 VanDerWaalsContact C-N 3.32Å; K15-S17 PolarHBondContact O-N 3.14Å; S17-V19 PolarHBondContact O-N 2.71Å
18	A	37.9	Very low	46	Very low	101 Å²	101	106.4 Å²	106.4	84%	0.835	61%	0.612	S	S	*	*			trans	-59.7	92.2	171.4	0	0	0	0	0	107	E16 A20	E16-A18 PolarHBondContact O-N 3.27Å; A18-A20 VanDerWaalsContact C-N 3.3Å; A18-A20 PolarHBondContact O-N 3.42Å
19	V	40.8	Very low	47.3	Very low	119 Å²	119	103.7 Å²	103.7	72%	0.721	58%	0.584	S	S	*	*			trans	-60.4	103.6	166	178.1	0	0	0	0	104.1	S17 A21	S17-V19 PolarHBondContact O-N 2.71Å; V19-A21 PolarHBondContact O-N 3.3Å
20	A	42.1	Very low	48.5	Very low	76 Å²	76	99.4 Å²	99.4	63%	0.628	56%	0.557	S	S	*	*			trans	-48.8	117.1	173.6	0	0	0	0	0	107.3	A18 T22	A18-A20 VanDerWaalsContact C-N 3.3Å; A18-A20 PolarHBondContact O-N 3.42Å; A20-T22 PolarHBondContact O-N 3.4Å
21	A	48	Very low	49.4	Very low	59 Å²	59	92.8 Å²	92.8	49%	0.488	52%	0.524	S	S	.	.			trans	-71.2	78.9	-176.9	0	0	0	0	0	109	V19 E23 L156	V19-A21 PolarHBondContact O-N 3.3Å; A21-E23 PolarHBondContact O-N 2.9Å; A21-L156 HydrophobicContact CB-CD1 4.14Å; A21-L156 HydrophobicContact CB-CD2 3.97Å; A21-L156 HydrophobicContact CB-CG 4.43Å
22	T	55.7	Low	50.4	Low	104 Å²	104	93 Å²	93	64%	0.638	52%	0.519	S	S	*	.			trans	-65.7	115	164.4	42.6	0	0	0	0	107.3	A20 K64	A20-T22 PolarHBondContact O-N 3.4Å; T22-K64 PolarHBondContact O-NZ 3.33Å
23	E	65.1	Low	51.5	Low	125 Å²	125	86.6 Å²	86.6	58%	0.584	49%	0.49	S	S	*	.			trans	-72.3	120.7	165.6	-175.5	173.8	-169.9	0	0	106.8	A21 V25	A21-E23 PolarHBondContact O-N 2.9Å; E23-V25 HydrophobicContact CG-CG2 4Å
24	Y	68	Low	51.9	Low	70 Å²	70	81.8 Å²	81.8	28%	0.275	47%	0.473	S	S	.	.			trans	-97.6	131.9	171.4	-164.9	-92.5	0	0	0	108.1	E26 F60 W152 K153 T154	Y24-E26 HydrophobicContact CE1-CB 4.02Å; Y24-E26 VanDerWaalsContact CE1-CD 3.44Å; Y24-E26 HydrophobicContact CE1-CG 3.59Å; Y24-E26 VanDerWaalsContact CE1-OE1 3.31Å; Y24-E26 WeakPolarHBondContact CE1-OE1 3.3Å; Y24-E26 VanDerWaalsContact CZ-OE1 3.29Å; Y24-E26 PolarHBondContact OH-OE1 3.49Å; Y24-F60 HydrophobicContact CD1-CG 4.42Å; Y24-F60 AromaticContact CD2-CD1 3.77Å; Y24-F60 HydrophobicContact CD2-CD1 3.77Å; Y24-F60 HydrophobicContact CD2-CE1 4.07Å; Y24-F60 HydrophobicContact CD2-CG 4.19Å; Y24-F60 HydrophobicContact CE1-CD2 4.42Å; Y24-F60 HydrophobicContact CE1-CE2 4.48Å; Y24-F60 AromaticContact CE2-CD1 3.89Å; Y24-F60 HydrophobicContact CE2-CD1 3.89Å; Y24-F60 AromaticContact CE2-CE1 3.71Å; Y24-F60 HydrophobicContact CE2-CE1 3.71Å; Y24-F60 HydrophobicContact CE2-CG 4.38Å; Y24-F60 HydrophobicContact CE2-CZ 4.03Å; Y24-F60 HydrophobicContact CG-CB 4.28Å; Y24-F60 HydrophobicContact CG-CD1 4.23Å; Y24-F60 HydrophobicContact CG-CG 4.19Å; Y24-W152 AromaticContact CD1-CH2 3.25Å; Y24-W152 HydrophobicContact CD1-CH2 3.25Å; Y24-W152 AromaticContact CD1-CZ2 3.42Å; Y24-W152 HydrophobicContact CD1-CZ2 3.42Å; Y24-W152 VanDerWaalsContact CD1-CZ2 3.42Å; Y24-W152 AromaticContact CD1-CZ3 3.87Å; Y24-W152 HydrophobicContact CD1-CZ3 3.87Å; Y24-W152 AromaticContact CE1-CH2 3.57Å; Y24-W152 HydrophobicContact CE1-CH2 3.57Å; Y24-W152 AromaticContact CE1-CZ2 3.28Å; Y24-W152 HydrophobicContact CE1-CZ2 3.28Å; Y24-W152 HydrophobicContact CG-CH2 4.23Å; Y24-K153 CarbonylContact O-C 3.58Å; Y24-K153 WeakPolarHBondContact O-CA 3.38Å; Y24-K153 WeakPolarHBondContact O-CB 3.45Å; Y24-T154 PolarHBondContact N-OG1 3.02Å; Y24-T154 VanDerWaalsContact N-OG1 3.08Å; Y24-T154 PolarHBondContact O-N 2.61Å; Y24-T154 VanDerWaalsContact O-N 3.07Å
25	V	72	Confident	52.4	Low	85 Å²	85	79.2 Å²	79.2	52%	0.515	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	130.7	178	-175.7	0	0	0	0	107.5	E23 W152 K153	E23-V25 HydrophobicContact CG-CG2 4Å; V25-W152 WeakPolarHBondContact CA-O 3.39Å; V25-K153 HydrophobicContact CG2-CB 4.07Å
26	E	69.9	Low	52.9	Low	28 Å²	28	77.3 Å²	77.3	13%	0.131	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	129.8	177.3	-112.6	-178.2	-155.3	0	0	109.3	Y24 L28 Y53 K151 W152	Y24-E26 HydrophobicContact CE1-CB 4.02Å; Y24-E26 VanDerWaalsContact CE1-CD 3.44Å; Y24-E26 HydrophobicContact CE1-CG 3.59Å; Y24-E26 VanDerWaalsContact CE1-OE1 3.31Å; Y24-E26 WeakPolarHBondContact CE1-OE1 3.3Å; Y24-E26 VanDerWaalsContact CZ-OE1 3.29Å; Y24-E26 PolarHBondContact OH-OE1 3.49Å; E26-L28 HydrophobicContact CB-CD1 4.3Å; E26-Y53 PolarHBondContact OE2-OH 3.35Å; E26-K151 WeakPolarHBondContact O-CA 3.26Å; E26-W152 HydrophobicContact CB-CD2 4.48Å; E26-W152 HydrophobicContact CB-CG 4.42Å; E26-W152 HydrophobicContact CB-CZ2 4.32Å; E26-W152 PolarHBondContact N-O 2.8Å; E26-W152 PolarHBondContact O-N 3.36Å; E26-W152 PolarHBondContact OE2-NE1 3.36Å
27	D	62.9	Low	53.2	Low	34 Å²	34	71.5 Å²	71.5	18%	0.182	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	113.1	177.8	-70.9	-5.1	0	0	0	108.9	Y29 N34 K151	D27-Y29 HydrophobicContact CB-CE2 3.85Å; D27-N34 PolarHBondContact O-OD1 3.12Å; D27-K151 HydrophobicContact CB-CG 4.44Å; D27-K151 WeakPolarHBondContact OD1-CB 3.18Å; D27-K151 VanDerWaalsContact OD1-CD 3.29Å; D27-K151 WeakPolarHBondContact OD1-CD 3.47Å; D27-K151 WeakPolarHBondContact OD1-CG 3.21Å; D27-K151 IonicContact OD1-NZ 3.55Å; D27-K151 IonicContact OD2-NZ 3.59Å; D27-K151 PolarHBondContact OD2-NZ 3.31Å
28	L	67.1	Low	53.3	Low	11 Å²	11	68.4 Å²	68.4	6%	0.058	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	134.6	177.6	-88.9	89.8	0	0	0	110.8	E26 N34 Y53 E149 F150	E26-L28 HydrophobicContact CB-CD1 4.3Å; L28-N34 WeakPolarHBondContact CD1-OD1 3.36Å; L28-N34 WeakPolarHBondContact CG-OD1 3.35Å; L28-Y53 HydrophobicContact CD1-CE1 4.1Å; L28-Y53 HydrophobicContact CD2-CD1 4.05Å; L28-Y53 HydrophobicContact CD2-CD2 3.64Å; L28-Y53 HydrophobicContact CD2-CE1 3.86Å; L28-Y53 HydrophobicContact CD2-CE2 3.46Å; L28-Y53 VanDerWaalsContact CD2-CE2 3.46Å; L28-Y53 HydrophobicContact CD2-CG 3.93Å; L28-E149 WeakPolarHBondContact O-CA 3.36Å; L28-F150 HydrophobicContact CB-CD1 3.78Å; L28-F150 HydrophobicContact CB-CD2 4.46Å; L28-F150 HydrophobicContact CB-CE1 3.32Å; L28-F150 HydrophobicContact CB-CE2 4.05Å; L28-F150 HydrophobicContact CB-CG 4.35Å; L28-F150 HydrophobicContact CB-CZ 3.48Å; L28-F150 VanDerWaalsContact CB-CZ 3.48Å; L28-F150 HydrophobicContact CD1-CE2 4.11Å; L28-F150 HydrophobicContact CD1-CZ 3.88Å; L28-F150 HydrophobicContact CD2-CE1 3.84Å; L28-F150 HydrophobicContact CD2-CZ 3.61Å; L28-F150 HydrophobicContact CG-CE1 4.04Å; L28-F150 HydrophobicContact CG-CE2 4.44Å; L28-F150 HydrophobicContact CG-CZ 3.79Å; L28-F150 PolarHBondContact N-O 2.64Å; L28-F150 PolarHBondContact O-N 3.38Å
29	Y	63.7	Low	53.3	Low	29 Å²	29	69.7 Å²	69.7	11%	0.114	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	121.9	178.3	-56.8	-97.1	0	0	0	108	D27 H32 G33 V35 E149	D27-Y29 HydrophobicContact CB-CE2 3.85Å; Y29-H32 CarbonylContact O-C 3.54Å; Y29-H32 PolarHBondContact O-N 3.12Å; Y29-G33 WeakPolarHBondContact CA-O 3.32Å; Y29-G33 VanDerWaalsContact CB-O 3.29Å; Y29-G33 WeakPolarHBondContact CB-O 3.32Å; Y29-G33 PolarHBondContact N-O 2.82Å; Y29-G33 CarbonylContact O-C 3.56Å; Y29-G33 VanDerWaalsContact O-CA 3.31Å; Y29-G33 WeakPolarHBondContact O-CA 3.48Å; Y29-G33 PolarHBondContact O-N 3.13Å; Y29-G33 VanDerWaalsContact O-O 3.04Å; Y29-V35 HydrophobicContact CD2-CB 4.16Å; Y29-V35 WeakPolarHBondContact CD2-O 3.27Å; Y29-V35 WeakPolarHBondContact CE2-O 3.23Å; Y29-V35 HydrophobicContact CG-CB 4.47Å; Y29-E149 HydrophobicContact CD1-CB 4.2Å; Y29-E149 HydrophobicContact CD1-CG 3.79Å; Y29-E149 HydrophobicContact CE1-CB 4.38Å; Y29-E149 HydrophobicContact CE1-CG 3.57Å; Y29-E149 WeakPolarHBondContact CE1-OE1 3.44Å; Y29-E149 PolarHBondContact OH-OE1 3.15Å
30	W	63	Low	53.3	Low	61 Å²	61	66.5 Å²	66.5	23%	0.231	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	132.6	172.6	-162.1	-93.9	0	0	0	109.6	T49 S51 F137 F148	W30-T49 HydrophobicContact CZ2-CG2 3.49Å; W30-T49 VanDerWaalsContact CZ2-CG2 3.49Å; W30-S51 WeakPolarHBondContact CH2-OG 3.31Å; W30-S51 VanDerWaalsContact CZ2-CB 3.41Å; W30-S51 WeakPolarHBondContact CZ2-OG 3.34Å; W30-F137 AromaticContact CD1-CD1 3.41Å; W30-F137 VanDerWaalsContact CD1-CD1 3.41Å; W30-F137 AromaticContact CD1-CE1 3.5Å; W30-F137 AromaticContact CE2-CD1 4Å; W30-F137 HydrophobicContact CG-CD1 4.29Å; W30-F137 AromaticContact NE1-CD1 3.18Å; W30-F137 AromaticContact NE1-CE1 3.35Å; W30-F148 HydrophobicContact CB-CD1 3.86Å; W30-F148 HydrophobicContact CB-CD2 4.24Å; W30-F148 HydrophobicContact CB-CE1 3.44Å; W30-F148 VanDerWaalsContact CB-CE1 3.44Å; W30-F148 HydrophobicContact CB-CE2 3.87Å; W30-F148 HydrophobicContact CB-CG 4.23Å; W30-F148 HydrophobicContact CB-CZ 3.44Å; W30-F148 VanDerWaalsContact CB-CZ 3.44Å; W30-F148 AromaticContact CD1-CE1 3.7Å; W30-F148 HydrophobicContact CD2-CZ 4.48Å; W30-F148 HydrophobicContact CG-CD1 4.39Å; W30-F148 AromaticContact CG-CE1 3.61Å; W30-F148 HydrophobicContact CG-CE1 3.61Å; W30-F148 AromaticContact CG-CZ 3.73Å; W30-F148 HydrophobicContact CG-CZ 3.73Å; W30-F148 PolarHBondContact N-O 3.4Å; W30-F148 PolarHBondContact O-N 3.42Å
31	P	49.6	Very low	53.4	Low	29 Å²	29	66.5 Å²	66.5	19%	0.188	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	cis	-86.5	0.8	15.5	36.7	-41.4	0	0	0	117.7
32	H	55.4	Low	53.3	Low	102 Å²	102	71.5 Å²	71.5	47%	0.472	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-1.8	-161.5	-56.7	-65	0	0	0	117.5	Y29 V35	Y29-H32 CarbonylContact O-C 3.54Å; Y29-H32 PolarHBondContact O-N 3.12Å; H32-V35 HydrophobicContact CB-CG2 3.53Å
33	G	56	Low	53.4	Low	20 Å²	20	67.6 Å²	67.6	21%	0.206	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	71.7	-154.6	-171.3	0	0	0	0	0	114.5	Y29 V35	Y29-G33 WeakPolarHBondContact CA-O 3.32Å; Y29-G33 VanDerWaalsContact CB-O 3.29Å; Y29-G33 WeakPolarHBondContact CB-O 3.32Å; Y29-G33 PolarHBondContact N-O 2.82Å; Y29-G33 CarbonylContact O-C 3.56Å; Y29-G33 VanDerWaalsContact O-CA 3.31Å; Y29-G33 WeakPolarHBondContact O-CA 3.48Å; Y29-G33 PolarHBondContact O-N 3.13Å; Y29-G33 VanDerWaalsContact O-O 3.04Å; G33-V35 PolarHBondContact O-N 3.02Å
34	N	42.9	Very low	53.3	Low	89 Å²	89	66.9 Å²	66.9	48%	0.476	37%	0.367	S	S	.	.	S	Bend	trans	-66.3	100.1	174.8	-75.9	10.8	0	0	0	110.3	D27 L28	D27-N34 PolarHBondContact O-OD1 3.12Å; L28-N34 WeakPolarHBondContact CD1-OD1 3.36Å; L28-N34 WeakPolarHBondContact CG-OD1 3.35Å
35	V	42.3	Very low	53.5	Low	35 Å²	35	63.6 Å²	63.6	21%	0.212	35%	0.354	C	S	.	.			trans	-117.2	92.5	173.2	-171.4	0	0	0	0	108.2	Y29 H32 G33 N37	Y29-V35 HydrophobicContact CD2-CB 4.16Å; Y29-V35 WeakPolarHBondContact CD2-O 3.27Å; Y29-V35 WeakPolarHBondContact CE2-O 3.23Å; Y29-V35 HydrophobicContact CG-CB 4.47Å; H32-V35 HydrophobicContact CB-CG2 3.53Å; G33-V35 PolarHBondContact O-N 3.02Å; V35-N37 WeakPolarHBondContact CG1-O 3.29Å; V35-N37 PolarHBondContact O-N 3.33Å
36	E	39.6	Very low	53.5	Low	158 Å²	158	66.4 Å²	66.4	74%	0.738	36%	0.362	S	S	*	.	S	Bend	trans	-68.5	0.4	-176	-91.5	-171.3	167.6	0	0	115.6
37	N	38.2	Very low	53.8	Low	62 Å²	62	68.8 Å²	68.8	33%	0.332	38%	0.375	S	S	.	.	S	Bend	trans	-134.8	109	171.2	-72.1	-29.5	0	0	0	107.9	V35 E39	V35-N37 WeakPolarHBondContact CG1-O 3.29Å; V35-N37 PolarHBondContact O-N 3.33Å; N37-E39 PolarHBondContact O-N 3.02Å
38	G	40.1	Very low	54.6	Low	39 Å²	39	70.5 Å²	70.5	40%	0.402	38%	0.384	S	S	.	.			trans	-61.2	28.9	-178.9	0	0	0	0	0	116.7	G40 I41	G38-G40 PolarHBondContact O-N 3.19Å; G38-I41 VanDerWaalsContact O-CD1 3.28Å; G38-I41 WeakPolarHBondContact O-CD1 3.21Å; G38-I41 VanDerWaalsContact O-CG1 3.26Å; G38-I41 WeakPolarHBondContact O-CG1 3.43Å
39	E	36.6	Very low	55.3	Low	128 Å²	128	70.7 Å²	70.7	60%	0.598	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	95.1	170.9	-69.3	-173.6	179.3	0	0	108.7	N37 N378	N37-E39 PolarHBondContact O-N 3.02Å; E39-N378 PolarHBondContact OE1-ND2 2.95Å
40	G	41.2	Very low	56.2	Low	53 Å²	53	74.6 Å²	74.6	55%	0.546	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	143.2	-0.2	-176.7	0	0	0	0	0	114.8	G38 N42 G43	G38-G40 PolarHBondContact O-N 3.19Å; G40-N42 PolarHBondContact O-N 2.86Å; G40-G43 PolarHBondContact O-N 2.92Å
41	I	44.2	Very low	57.2	Low	75 Å²	75	73 Å²	73	39%	0.385	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-7.7	-174.3	-71.2	172	0	0	0	115.4	G38 G43	G38-I41 VanDerWaalsContact O-CD1 3.28Å; G38-I41 WeakPolarHBondContact O-CD1 3.21Å; G38-I41 VanDerWaalsContact O-CG1 3.26Å; G38-I41 WeakPolarHBondContact O-CG1 3.43Å; I41-G43 PolarHBondContact O-N 2.89Å
42	N	45.4	Very low	58.9	Low	165 Å²	165	75 Å²	75	88%	0.882	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	2.8	172	-73.7	4	0	0	0	114.1	G40 M44	G40-N42 PolarHBondContact O-N 2.86Å; N42-M44 PolarHBondContact O-N 2.81Å
43	G	58.7	Low	60.3	Low	22 Å²	22	73.6 Å²	73.6	23%	0.227	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-74	116.8	170.2	0	0	0	0	0	111.1	G40 I41	G40-G43 PolarHBondContact O-N 2.92Å; I41-G43 PolarHBondContact O-N 2.89Å
44	M	63.5	Low	61.7	Low	110 Å²	110	76.7 Å²	76.7	54%	0.542	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-72.6	152.4	164.8	-53.9	175.7	169.1	0	0	109.1	N42 E144 D145	N42-M44 PolarHBondContact O-N 2.81Å; M44-E144 HydrophobicContact CB-CB 3.46Å; M44-E144 VanDerWaalsContact CB-CB 3.46Å; M44-E144 HydrophobicContact CG-CB 4.18Å; M44-E144 HydrophobicContact SD-CB 3.8Å; M44-D145 CarbonylContact C-O 3.58Å; M44-D145 WeakPolarHBondContact CA-O 3.27Å; M44-D145 WeakPolarHBondContact CB-O 3.38Å
45	Y	71.7	Confident	63.6	Low	0 Å²	0	72.4 Å²	72.4	0%	0	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-65.2	145.4	169.8	55	-99.8	0	0	0	110.7	E76 D86 F137 E144 D145	Y45-E76 VanDerWaalsContact OH-CB 3.22Å; Y45-E76 WeakPolarHBondContact OH-CB 3.44Å; Y45-E76 PolarHBondContact OH-N 2.95Å; Y45-E76 VanDerWaalsContact OH-N 3.07Å; Y45-D86 WeakPolarHBondContact CE2-OD2 3.27Å; Y45-D86 PolarHBondContact OH-OD2 3.47Å; Y45-F137 HydrophobicContact CD1-CE1 4.49Å; Y45-F137 AromaticContact CD1-CZ 3.94Å; Y45-F137 HydrophobicContact CD1-CZ 3.94Å; Y45-F137 HydrophobicContact CD2-CE1 4.31Å; Y45-F137 HydrophobicContact CD2-CZ 4.03Å; Y45-F137 HydrophobicContact CE1-CZ 4.09Å; Y45-F137 HydrophobicContact CE2-CZ 4.2Å; Y45-F137 HydrophobicContact CG-CE1 4.12Å; Y45-F137 AromaticContact CG-CZ 3.91Å; Y45-F137 HydrophobicContact CG-CZ 3.91Å; Y45-E144 VanDerWaalsContact O-CB 3.31Å; Y45-E144 WeakPolarHBondContact O-CB 3.27Å; Y45-E144 VanDerWaalsContact O-CG 3.24Å; Y45-E144 WeakPolarHBondContact O-CG 2.88Å; Y45-D145 WeakPolarHBondContact CD1-O 3.46Å; Y45-D145 HydrophobicContact CE1-CB 3.63Å; Y45-D145 VanDerWaalsContact CE1-O 3.25Å; Y45-D145 WeakPolarHBondContact CE1-O 3.42Å; Y45-D145 PolarHBondContact N-O 2.58Å
46	E	71.3	Confident	65.4	Low	145 Å²	145	74.8 Å²	74.8	68%	0.678	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-63.6	144.7	177.7	-61.1	-178.2	169.6	0	0	110.7	T49 S139	E46-T49 WeakPolarHBondContact O-CB 3.38Å; E46-T49 PolarHBondContact O-N 3.05Å; E46-T49 PolarHBondContact O-OG1 2.85Å; E46-S139 PolarHBondContact O-OG 2.85Å
47	L	76.2	Confident	67.2	Low	77 Å²	77	67.3 Å²	67.3	40%	0.403	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	143.4	167.8	-61.9	173.3	0	0	0	111.5	T49 Q141 E144	L47-T49 PolarHBondContact O-N 3.39Å; L47-Q141 WeakPolarHBondContact CD1-O 3.42Å; L47-E144 HydrophobicContact CD2-CG 3.42Å; L47-E144 VanDerWaalsContact CD2-CG 3.42Å; L47-E144 HydrophobicContact CG-CG 3.67Å; L47-E144 WeakPolarHBondContact CG-OE1 3.47Å; L47-E144 PolarHBondContact N-OE1 2.76Å
48	N	79.7	Confident	69.1	Low	70 Å²	70	71.6 Å²	71.6	37%	0.374	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	31.2	178	-173.3	47.3	0	0	0	113.1	K50 S139 D140 Q141	N48-K50 PolarHBondContact O-N 2.87Å; N48-K50 VanDerWaalsContact OD1-CE 3.28Å; N48-K50 WeakPolarHBondContact OD1-CE 3.46Å; N48-S139 WeakPolarHBondContact CA-O 3.38Å; N48-S139 PolarHBondContact N-OG 2.84Å; N48-D140 WeakPolarHBondContact CA-O 3.38Å; N48-D140 PolarHBondContact N-O 2.98Å; N48-Q141 HydrophobicContact CB-CG 4.28Å
49	T	81.8	Confident	70.8	Confident	15 Å²	15	75.7 Å²	75.7	9%	0.092	39%	0.385	C	S	.	.			trans	-67.3	125.8	175	-69.8	0	0	0	0	109.5	W30 E46 L47 F137 C138 S139	W30-T49 HydrophobicContact CZ2-CG2 3.49Å; W30-T49 VanDerWaalsContact CZ2-CG2 3.49Å; E46-T49 WeakPolarHBondContact O-CB 3.38Å; E46-T49 PolarHBondContact O-N 3.05Å; E46-T49 PolarHBondContact O-OG1 2.85Å; L47-T49 PolarHBondContact O-N 3.39Å; T49-F137 HydrophobicContact CG2-CD1 3.98Å; T49-F137 HydrophobicContact CG2-CE1 3.97Å; T49-C138 CarbonylContact O-C 3.56Å; T49-C138 WeakPolarHBondContact O-CA 3.39Å; T49-S139 WeakPolarHBondContact CB-OG 3.15Å; T49-S139 PolarHBondContact N-OG 3.42Å; T49-S139 PolarHBondContact O-N 2.94Å
50	K	83.8	Confident	72.6	Confident	111 Å²	111	72.6 Å²	72.6	48%	0.483	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	117.7	177	-62.4	-177.2	-177.9	-177.9	0	108.7	N48 I102 C103	N48-K50 PolarHBondContact O-N 2.87Å; N48-K50 VanDerWaalsContact OD1-CE 3.28Å; N48-K50 WeakPolarHBondContact OD1-CE 3.46Å; K50-I102 HydrophobicContact CB-CG2 3.95Å; K50-C103 HydrophobicContact CB-CB 4.33Å; K50-C103 HydrophobicContact CD-CB 4Å; K50-C103 HydrophobicContact CG-CB 3.92Å
51	S	83.8	Confident	74.3	Confident	27 Å²	27	70.1 Å²	70.1	19%	0.189	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	141.7	-174.7	-77.7	0	0	0	0	113	W30 E136 F137	W30-S51 WeakPolarHBondContact CH2-OG 3.31Å; W30-S51 VanDerWaalsContact CZ2-CB 3.41Å; W30-S51 WeakPolarHBondContact CZ2-OG 3.34Å; S51-E136 CarbonylContact O-C 3.35Å; S51-E136 WeakPolarHBondContact O-CA 2.83Å; S51-F137 PolarHBondContact N-O 2.99Å; S51-F137 PolarHBondContact O-N 3.31Å
52	R	84.7	Confident	75.9	Confident	71 Å²	71	70 Å²	70	27%	0.268	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	119.1	178.6	-172.6	179.7	-70.3	176.1	-1.5	108.8	K100 G101 I102 N107 T134 I135 E136	R52-K100 PolarHBondContact NH1-O 3.43Å; R52-K100 PolarHBondContact NH2-O 2.83Å; R52-G101 PolarHBondContact NH2-O 2.99Å; R52-I102 HydrophobicContact CB-CD1 4.3Å; R52-I102 HydrophobicContact CB-CG1 4.16Å; R52-I102 HydrophobicContact CB-CG2 4.24Å; R52-N107 PolarHBondContact NH2-ND2 3.16Å; R52-N107 VanDerWaalsContact NH2-ND2 3.17Å; R52-T134 HydrophobicContact CG-CG2 3.55Å; R52-I135 CarbonylContact C-O 3.55Å; R52-I135 WeakPolarHBondContact CA-O 2.69Å; R52-E136 IonicContact CZ-OE1 3.52Å; R52-E136 IonicContact NE-OE1 3.35Å; R52-E136 PolarHBondContact NE-OE1 3.21Å; R52-E136 IonicContact NH2-OE1 2.8Å; R52-E136 PolarHBondContact NH2-OE1 3.36Å; R52-E136 IonicContact NH2-OE2 2.91Å
53	Y	84.5	Confident	77.5	Confident	74 Å²	74	66.2 Å²	66.2	29%	0.29	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	136.2	176.7	-174.2	-102.8	0	0	0	110	E26 L28 L55 T134 I135 F150	E26-Y53 PolarHBondContact OE2-OH 3.35Å; L28-Y53 HydrophobicContact CD1-CE1 4.1Å; L28-Y53 HydrophobicContact CD2-CD1 4.05Å; L28-Y53 HydrophobicContact CD2-CD2 3.64Å; L28-Y53 HydrophobicContact CD2-CE1 3.86Å; L28-Y53 HydrophobicContact CD2-CE2 3.46Å; L28-Y53 VanDerWaalsContact CD2-CE2 3.46Å; L28-Y53 HydrophobicContact CD2-CG 3.93Å; Y53-L55 HydrophobicContact CE1-CB 4.29Å; Y53-T134 CarbonylContact O-C 3.57Å; Y53-T134 WeakPolarHBondContact O-CA 3.35Å; Y53-I135 HydrophobicContact CD1-CD1 4.32Å; Y53-I135 PolarHBondContact N-O 3.09Å; Y53-I135 PolarHBondContact O-N 3Å; Y53-F150 HydrophobicContact CD1-CE2 4.5Å; Y53-F150 AromaticContact CD1-CZ 3.75Å; Y53-F150 HydrophobicContact CD1-CZ 3.75Å; Y53-F150 HydrophobicContact CE1-CE2 4.45Å; Y53-F150 AromaticContact CE1-CZ 3.98Å; Y53-F150 HydrophobicContact CE1-CZ 3.98Å; Y53-F150 HydrophobicContact CG-CZ 4.45Å
54	N	84.7	Confident	78.7	Confident	84 Å²	84	66.1 Å²	66.1	45%	0.449	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	107.3	176.9	-69	-44.1	0	0	0	109.3	L56 T134	N54-L56 PolarHBondContact O-N 3.37Å; N54-T134 WeakPolarHBondContact OD1-CB 3.32Å; N54-T134 WeakPolarHBondContact OD1-CG2 3.11Å; N54-T134 PolarHBondContact OD1-OG1 3.19Å
55	L	83.5	Confident	79.7	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	114	170.7	-170.9	169.2	0	0	0	108.1	Y53 G57 V66 I68 N132 I133 W152	Y53-L55 HydrophobicContact CE1-CB 4.29Å; L55-G57 PolarHBondContact O-N 3.18Å; L55-V66 HydrophobicContact CD1-CG1 3.88Å; L55-V66 HydrophobicContact CD2-CG1 4.14Å; L55-V66 HydrophobicContact CD2-CG2 4.29Å; L55-I68 HydrophobicContact CD1-CD1 4.06Å; L55-I68 HydrophobicContact CD1-CG1 4.25Å; L55-N132 VanDerWaalsContact O-CA 3.26Å; L55-N132 WeakPolarHBondContact O-CA 3.28Å; L55-I133 HydrophobicContact CB-CB 4.18Å; L55-I133 WeakPolarHBondContact CB-O 3.4Å; L55-I133 HydrophobicContact CD1-CD1 4.32Å; L55-I133 PolarHBondContact N-O 2.89Å; L55-I133 PolarHBondContact O-N 2.81Å; L55-W152 HydrophobicContact CD1-CB 3.8Å; L55-W152 HydrophobicContact CD1-CD2 3.39Å; L55-W152 HydrophobicContact CD1-CE3 3.83Å; L55-W152 HydrophobicContact CD1-CG 3.4Å; L55-W152 HydrophobicContact CD1-CZ2 4.47Å; L55-W152 HydrophobicContact CD2-CD2 3.97Å; L55-W152 HydrophobicContact CD2-CE3 3.77Å; L55-W152 HydrophobicContact CD2-CH2 3.67Å; L55-W152 HydrophobicContact CD2-CZ2 3.88Å; L55-W152 HydrophobicContact CD2-CZ3 3.61Å; L55-W152 HydrophobicContact CG-CD2 3.63Å; L55-W152 HydrophobicContact CG-CE3 3.98Å; L55-W152 HydrophobicContact CG-CG 4.08Å; L55-W152 HydrophobicContact CG-CH2 4.09Å; L55-W152 HydrophobicContact CG-CZ2 3.76Å; L55-W152 HydrophobicContact CG-CZ3 4.2Å
56	L	79.5	Confident	80.4	Confident	85 Å²	85	64.3 Å²	64.3	45%	0.445	34%	0.335	S	S	.	.			trans	-78.4	56.4	-177.2	-59.1	179.1	0	0	0	112.3	N54 R58 L59 F60 N132	N54-L56 PolarHBondContact O-N 3.37Å; L56-R58 VanDerWaalsContact C-N 3.25Å; L56-R58 PolarHBondContact O-N 3.17Å; L56-L59 HydrophobicContact CB-CB 4.21Å; L56-L59 HydrophobicContact CD1-CD2 4.39Å; L56-L59 WeakPolarHBondContact O-CB 3.39Å; L56-L59 PolarHBondContact O-N 3.16Å; L56-F60 HydrophobicContact CB-CD2 4.2Å; L56-F60 HydrophobicContact CB-CE2 4.01Å; L56-F60 VanDerWaalsContact O-CD2 3.28Å; L56-F60 WeakPolarHBondContact O-CD2 3.36Å; L56-F60 PolarHBondContact O-N 3.29Å; L56-N132 VanDerWaalsContact C-OD1 3.24Å; L56-N132 WeakPolarHBondContact CA-OD1 3.07Å
57	G	77.5	Confident	81.1	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-61.3	-27.7	-174.5	0	0	0	0	0	113.8	L55 L59 A61 Q131 N132	L55-G57 PolarHBondContact O-N 3.18Å; G57-L59 VanDerWaalsContact C-N 3.3Å; G57-L59 PolarHBondContact O-N 2.93Å; G57-A61 CarbonylContact O-C 3.59Å; G57-A61 VanDerWaalsContact O-CA 3.22Å; G57-A61 WeakPolarHBondContact O-CA 3.39Å; G57-A61 WeakPolarHBondContact O-CB 3.28Å; G57-A61 PolarHBondContact O-N 2.85Å; G57-Q131 VanDerWaalsContact CA-O 3.31Å; G57-Q131 WeakPolarHBondContact CA-O 3.39Å; G57-N132 PolarHBondContact N-OD1 2.71Å; G57-N132 VanDerWaalsContact N-OD1 3.09Å
58	R	78	Confident	81.6	Confident	153 Å²	153	54 Å²	54	58%	0.577	29%	0.285	S	S	*	.	H	α-helix	trans	-63.7	-36.1	172.5	-79.1	-168.2	-178.3	-113	-1.4	113	L56 E93 N132	L56-R58 VanDerWaalsContact C-N 3.25Å; L56-R58 PolarHBondContact O-N 3.17Å; R58-E93 IonicContact CZ-OE2 3.67Å; R58-E93 VanDerWaalsContact CZ-OE2 3.23Å; R58-E93 IonicContact NE-OE1 3.73Å; R58-E93 PolarHBondContact NE-OE1 2.86Å; R58-E93 IonicContact NE-OE2 2.68Å; R58-E93 PolarHBondContact NE-OE2 3Å; R58-E93 IonicContact NH2-OE2 2.91Å; R58-E93 PolarHBondContact NH2-OE2 3.08Å; R58-N132 PolarHBondContact N-OD1 3.31Å
59	L	75.8	Confident	81.7	Confident	124 Å²	124	52.8 Å²	52.8	65%	0.649	28%	0.28	S	S	*	.	H	α-helix	trans	-72.4	-39.7	-177.4	-173.8	64.2	0	0	0	111	L56 G57	L56-L59 HydrophobicContact CB-CB 4.21Å; L56-L59 HydrophobicContact CD1-CD2 4.39Å; L56-L59 WeakPolarHBondContact O-CB 3.39Å; L56-L59 PolarHBondContact O-N 3.16Å; G57-L59 VanDerWaalsContact C-N 3.3Å; G57-L59 PolarHBondContact O-N 2.93Å
60	F	76	Confident	81.6	Confident	64 Å²	64	53.5 Å²	53.5	28%	0.281	28%	0.282	S	S	.	.	H	α-helix	trans	-103.3	-24.9	-171.3	-58.8	-65.3	0	0	0	114.4	Y24 L56 W152 T154	Y24-F60 HydrophobicContact CD1-CG 4.42Å; Y24-F60 AromaticContact CD2-CD1 3.77Å; Y24-F60 HydrophobicContact CD2-CD1 3.77Å; Y24-F60 HydrophobicContact CD2-CE1 4.07Å; Y24-F60 HydrophobicContact CD2-CG 4.19Å; Y24-F60 HydrophobicContact CE1-CD2 4.42Å; Y24-F60 HydrophobicContact CE1-CE2 4.48Å; Y24-F60 AromaticContact CE2-CD1 3.89Å; Y24-F60 HydrophobicContact CE2-CD1 3.89Å; Y24-F60 AromaticContact CE2-CE1 3.71Å; Y24-F60 HydrophobicContact CE2-CE1 3.71Å; Y24-F60 HydrophobicContact CE2-CG 4.38Å; Y24-F60 HydrophobicContact CE2-CZ 4.03Å; Y24-F60 HydrophobicContact CG-CB 4.28Å; Y24-F60 HydrophobicContact CG-CD1 4.23Å; Y24-F60 HydrophobicContact CG-CG 4.19Å; L56-F60 HydrophobicContact CB-CD2 4.2Å; L56-F60 HydrophobicContact CB-CE2 4.01Å; L56-F60 VanDerWaalsContact O-CD2 3.28Å; L56-F60 WeakPolarHBondContact O-CD2 3.36Å; L56-F60 PolarHBondContact O-N 3.29Å; F60-W152 HydrophobicContact CB-CH2 4.12Å; F60-W152 AromaticContact CD2-CH2 3.85Å; F60-W152 HydrophobicContact CD2-CH2 3.85Å; F60-W152 HydrophobicContact CD2-CZ2 4.45Å; F60-W152 HydrophobicContact CG-CH2 4.29Å; F60-T154 HydrophobicContact CB-CG2 4.34Å
61	A	77.1	Confident	81.1	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.282	C	S	.	.			trans	-117.9	23.5	-173.1	0	0	0	0	0	113.4	G57 G63 K64 V66 G130 T154	G57-A61 CarbonylContact O-C 3.59Å; G57-A61 VanDerWaalsContact O-CA 3.22Å; G57-A61 WeakPolarHBondContact O-CA 3.39Å; G57-A61 WeakPolarHBondContact O-CB 3.28Å; G57-A61 PolarHBondContact O-N 2.85Å; A61-G63 PolarHBondContact O-N 2.67Å; A61-G63 VanDerWaalsContact O-N 3.11Å; A61-K64 HydrophobicContact CB-CB 4.15Å; A61-K64 CarbonylContact O-C 3.58Å; A61-K64 WeakPolarHBondContact O-CA 3.43Å; A61-K64 WeakPolarHBondContact O-CB 3.45Å; A61-K64 PolarHBondContact O-N 2.75Å; A61-V66 HydrophobicContact CB-CG2 3.67Å; A61-G130 WeakPolarHBondContact O-CA 3.35Å; A61-T154 HydrophobicContact CB-CG2 3.71Å
62	A	76.7	Confident	80.5	Confident	73 Å²	73	52 Å²	52	60%	0.603	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	118.9	174.9	0	0	0	0	0	111.2	K64	A62-K64 PolarHBondContact O-N 2.98Å
63	G	79.2	Confident	80.3	Confident	85 Å²	85	49.4 Å²	49.4	88%	0.876	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	7	-175.6	0	0	0	0	0	115.3	A61	A61-G63 PolarHBondContact O-N 2.67Å; A61-G63 VanDerWaalsContact O-N 3.11Å
64	K	84.2	Confident	79.9	Confident	20 Å²	20	50.5 Å²	50.5	9%	0.087	28%	0.277	C	S	.	.	S	Bend	trans	-115.4	-170.2	179	-56.1	-176.3	-171.4	160.9	0	109.8	T22 A61 A62 G130 V155 L156	T22-K64 PolarHBondContact O-NZ 3.33Å; A61-K64 HydrophobicContact CB-CB 4.15Å; A61-K64 CarbonylContact O-C 3.58Å; A61-K64 WeakPolarHBondContact O-CA 3.43Å; A61-K64 WeakPolarHBondContact O-CB 3.45Å; A61-K64 PolarHBondContact O-N 2.75Å; A62-K64 PolarHBondContact O-N 2.98Å; K64-G130 WeakPolarHBondContact O-CA 3.25Å; K64-G130 PolarHBondContact O-N 2.96Å; K64-V155 WeakPolarHBondContact CB-O 3.46Å; K64-L156 HydrophobicContact CD-CD2 4.19Å; K64-L156 HydrophobicContact CG-CD2 4.08Å
65	Y	84.7	Confident	79.7	Confident	72 Å²	72	46.5 Å²	46.5	28%	0.282	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	148	173.7	-64.4	-99.1	0	0	0	110.3	L128 T154 V155 S157 P158	Y65-L128 CarbonylContact C-O 3.6Å; Y65-L128 VanDerWaalsContact CA-O 3.25Å; Y65-L128 WeakPolarHBondContact CA-O 3.33Å; Y65-L128 WeakPolarHBondContact CB-O 3.39Å; Y65-T154 CarbonylContact O-C 3.46Å; Y65-T154 VanDerWaalsContact O-CA 3.28Å; Y65-T154 WeakPolarHBondContact O-CA 3.32Å; Y65-V155 PolarHBondContact N-O 2.79Å; Y65-V155 PolarHBondContact O-N 3.02Å; Y65-S157 VanDerWaalsContact CD2-C 3.43Å; Y65-P158 HydrophobicContact CD1-CB 3.94Å; Y65-P158 HydrophobicContact CE1-CB 3.59Å; Y65-P158 HydrophobicContact CE1-CG 4.14Å; Y65-P158 HydrophobicContact CE2-CB 4.28Å; Y65-P158 HydrophobicContact CE2-CG 4.21Å; Y65-P158 HydrophobicContact CG-CB 4.42Å
66	V	86.1	Confident	79.4	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	129.1	170.3	178.4	0	0	0	0	108.2	L55 A61 I68 G127 L128 I133 W152	L55-V66 HydrophobicContact CD1-CG1 3.88Å; L55-V66 HydrophobicContact CD2-CG1 4.14Å; L55-V66 HydrophobicContact CD2-CG2 4.29Å; A61-V66 HydrophobicContact CB-CG2 3.67Å; V66-I68 HydrophobicContact CG1-CG1 4.07Å; V66-G127 WeakPolarHBondContact O-CA 3.24Å; V66-L128 PolarHBondContact N-O 2.92Å; V66-L128 PolarHBondContact O-N 3.04Å; V66-I133 HydrophobicContact CB-CD1 4.01Å; V66-I133 HydrophobicContact CG1-CD1 3.7Å; V66-W152 HydrophobicContact CG1-CE3 3.9Å
67	V	85.9	Confident	78.8	Confident	6 Å²	6	43 Å²	43	4%	0.036	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	122.4	172.7	178.7	0	0	0	0	107.9	T69 L125 L126 W152 K153 V155 P159	V67-T69 HydrophobicContact CG1-CG2 4.32Å; V67-L125 HydrophobicContact CG1-CD1 3.82Å; V67-L125 HydrophobicContact CG1-CD2 4.09Å; V67-L125 HydrophobicContact CG1-CG 3.72Å; V67-L126 WeakPolarHBondContact CA-O 3.4Å; V67-W152 CarbonylContact O-C 3.59Å; V67-W152 WeakPolarHBondContact O-CA 3.4Å; V67-W152 WeakPolarHBondContact O-CB 3.35Å; V67-K153 HydrophobicContact CB-CG 4.08Å; V67-K153 PolarHBondContact N-O 3.04Å; V67-K153 PolarHBondContact O-N 3.27Å; V67-V155 HydrophobicContact CG2-CB 4.36Å; V67-V155 HydrophobicContact CG2-CG1 3.86Å; V67-V155 HydrophobicContact CG2-CG2 3.53Å; V67-P159 HydrophobicContact CG2-CB 4.46Å; V67-P159 HydrophobicContact CG2-CG 4.19Å
68	I	86.1	Confident	78	Confident	1 Å²	1	48 Å²	48	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	135	172.2	-57.6	174.3	0	0	0	108.7	L55 V66 F70 L90 L126 I133 F150 K151 W152	L55-I68 HydrophobicContact CD1-CD1 4.06Å; L55-I68 HydrophobicContact CD1-CG1 4.25Å; V66-I68 HydrophobicContact CG1-CG1 4.07Å; I68-F70 HydrophobicContact CG2-CD2 4.37Å; I68-F70 HydrophobicContact CG2-CE2 3.73Å; I68-F70 HydrophobicContact CG2-CZ 3.88Å; I68-L90 HydrophobicContact CD1-CD2 3.72Å; I68-L90 HydrophobicContact CG2-CD2 4.42Å; I68-L126 HydrophobicContact CB-CB 4.42Å; I68-L126 PolarHBondContact N-O 3.25Å; I68-L126 PolarHBondContact O-N 3.46Å; I68-I133 HydrophobicContact CD1-CD1 3.72Å; I68-I133 HydrophobicContact CD1-CG2 3.96Å; I68-F150 HydrophobicContact CG2-CD2 4.39Å; I68-K151 WeakPolarHBondContact CA-O 3.43Å; I68-W152 HydrophobicContact CG1-CB 4Å
69	T	82.9	Confident	76.6	Confident	43 Å²	43	44.8 Å²	44.8	26%	0.264	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	146.9	173.5	56.6	0	0	0	0	109.7	V67 P71 F150 K151	V67-T69 HydrophobicContact CG1-CG2 4.32Å; T69-P71 WeakPolarHBondContact O-CD 3.42Å; T69-F150 CarbonylContact O-C 3.54Å; T69-F150 VanDerWaalsContact O-CA 3.3Å; T69-F150 WeakPolarHBondContact O-CA 3.47Å; T69-K151 PolarHBondContact N-O 2.86Å; T69-K151 PolarHBondContact O-N 3.28Å; T69-K151 PolarHBondContact OG1-O 2.84Å
70	F	80	Confident	75.7	Confident	31 Å²	31	42.6 Å²	42.6	14%	0.136	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	91.8	175.2	-66	-86.6	0	0	0	109.2	I68 R72 L88 L90 P122 E149 F150	I68-F70 HydrophobicContact CG2-CD2 4.37Å; I68-F70 HydrophobicContact CG2-CE2 3.73Å; I68-F70 HydrophobicContact CG2-CZ 3.88Å; F70-R72 PolarHBondContact O-N 3.24Å; F70-L88 HydrophobicContact CD1-CD2 4.17Å; F70-L88 HydrophobicContact CE1-CD2 3.54Å; F70-L88 HydrophobicContact CZ-CD2 4.12Å; F70-L90 HydrophobicContact CE2-CD1 4.32Å; F70-L90 HydrophobicContact CE2-CD2 4.38Å; F70-L90 HydrophobicContact CZ-CD1 3.67Å; F70-L90 HydrophobicContact CZ-CD2 4.03Å; F70-L90 HydrophobicContact CZ-CG 4.49Å; F70-P122 HydrophobicContact CB-CG 3.64Å; F70-P122 HydrophobicContact CD1-CG 4.27Å; F70-P122 HydrophobicContact CD2-CB 3.47Å; F70-P122 VanDerWaalsContact CD2-CB 3.47Å; F70-P122 HydrophobicContact CD2-CG 3.2Å; F70-P122 HydrophobicContact CE2-CB 3.77Å; F70-P122 HydrophobicContact CE2-CG 3.88Å; F70-P122 HydrophobicContact CG-CB 4.22Å; F70-P122 HydrophobicContact CG-CG 3.43Å; F70-P122 VanDerWaalsContact CG-CG 3.43Å; F70-E149 WeakPolarHBondContact CA-O 3.24Å; F70-F150 HydrophobicContact CD1-CB 3.53Å; F70-F150 HydrophobicContact CE1-CB 3.43Å; F70-F150 VanDerWaalsContact CE1-CB 3.43Å; F70-F150 HydrophobicContact CE1-CG 4.24Å; F70-F150 HydrophobicContact CG-CB 4.37Å; F70-F150 HydrophobicContact CZ-CB 4.23Å
71	P	71.3	Confident	74.8	Confident	76 Å²	76	44.8 Å²	44.8	49%	0.494	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	-24.8	176.3	-20.7	31.9	0	0	0	113	T69 E149 K151	T69-P71 WeakPolarHBondContact O-CD 3.42Å; P71-E149 HydrophobicContact CB-CG 4.45Å; P71-E149 VanDerWaalsContact CD-O 3.27Å; P71-E149 WeakPolarHBondContact CD-O 3.14Å; P71-E149 HydrophobicContact CG-CG 4.11Å; P71-K151 HydrophobicContact CG-CD 3.84Å; P71-K151 HydrophobicContact CG-CG 3.8Å
72	R	72.6	Confident	74.1	Confident	30 Å²	30	56 Å²	56	11%	0.113	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	131.8	-175.9	-165.9	179.9	97.9	-169.8	9.8	110.5	F70 F74 A146 F148 E149	F70-R72 PolarHBondContact O-N 3.24Å; R72-F74 HydrophobicContact CG-CD2 3.3Å; R72-F74 HydrophobicContact CG-CE2 3.21Å; R72-F74 HydrophobicContact CG-CG 4.42Å; R72-F74 HydrophobicContact CG-CZ 4.27Å; R72-A146 PolarHBondContact NH2-O 3.11Å; R72-F148 CarbonylContact O-C 3.56Å; R72-F148 VanDerWaalsContact O-CA 3.28Å; R72-F148 WeakPolarHBondContact O-CA 2.95Å; R72-F148 WeakPolarHBondContact O-CB 3.21Å; R72-E149 HydrophobicContact CB-CB 3.77Å; R72-E149 PolarHBondContact O-N 2.87Å
73	I	79.9	Confident	74.2	Confident	16 Å²	16	52.7 Å²	52.7	8%	0.082	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	115.7	169	-170.8	168.8	0	0	0	108.3	I75 F116 N118 E121 P122 F148	I73-I75 HydrophobicContact CD1-CD1 4.09Å; I73-I75 HydrophobicContact CG1-CB 4.48Å; I73-I75 HydrophobicContact CG1-CD1 3.91Å; I73-I75 HydrophobicContact CG1-CG1 4.02Å; I73-F116 HydrophobicContact CD1-CB 3.76Å; I73-N118 PolarHBondContact O-OD1 2.85Å; I73-E121 HydrophobicContact CG2-CG 4.08Å; I73-P122 HydrophobicContact CD1-CG 4.35Å; I73-F148 HydrophobicContact CB-CB 4.48Å; I73-F148 HydrophobicContact CG1-CB 4.33Å
74	F	76.8	Confident	74.1	Confident	98 Å²	98	53.4 Å²	53.4	43%	0.43	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	68.4	178.7	-65.3	-59.3	0	0	0	107.2	R72 N118 D145 A146 G147	R72-F74 HydrophobicContact CG-CD2 3.3Å; R72-F74 HydrophobicContact CG-CE2 3.21Å; R72-F74 HydrophobicContact CG-CG 4.42Å; R72-F74 HydrophobicContact CG-CZ 4.27Å; F74-N118 VanDerWaalsContact C-OD1 3.26Å; F74-N118 WeakPolarHBondContact CA-OD1 3.47Å; F74-N118 PolarHBondContact N-OD1 2.82Å; F74-D145 VanDerWaalsContact C-CG 3.44Å; F74-D145 VanDerWaalsContact O-CB 3.23Å; F74-D145 WeakPolarHBondContact O-CB 3.22Å; F74-A146 HydrophobicContact CB-CB 3.8Å; F74-A146 HydrophobicContact CD2-CB 3.99Å; F74-A146 HydrophobicContact CG-CB 4.2Å; F74-G147 CarbonylContact C-O 3.5Å; F74-G147 VanDerWaalsContact CA-O 3.29Å; F74-G147 WeakPolarHBondContact CA-O 3.11Å; F74-G147 WeakPolarHBondContact CB-O 3.25Å; F74-G147 PolarHBondContact N-O 3.43Å; F74-G147 VanDerWaalsContact O-CA 3.28Å; F74-G147 WeakPolarHBondContact O-CA 3.3Å; F74-G147 PolarHBondContact O-N 2.97Å
75	I	80.7	Confident	74	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.268	C	S	.	.			trans	-112	127.5	178.2	-60.6	174.8	0	0	0	107.6	I73 D86 L88 C117 N118 F137 F148	I73-I75 HydrophobicContact CD1-CD1 4.09Å; I73-I75 HydrophobicContact CG1-CB 4.48Å; I73-I75 HydrophobicContact CG1-CD1 3.91Å; I73-I75 HydrophobicContact CG1-CG1 4.02Å; I75-D86 HydrophobicContact CG2-CB 3.63Å; I75-L88 HydrophobicContact CD1-CB 3.53Å; I75-L88 HydrophobicContact CD1-CD2 4.18Å; I75-L88 HydrophobicContact CD1-CG 4.45Å; I75-C117 HydrophobicContact CB-CB 4.34Å; I75-C117 HydrophobicContact CG2-CB 4.07Å; I75-N118 PolarHBondContact N-OD1 3.47Å; I75-N118 WeakPolarHBondContact O-CB 3.32Å; I75-N118 PolarHBondContact O-N 2.64Å; I75-N118 PolarHBondContact O-ND2 2.06Å; I75-N118 PolarHBondContact O-OD1 3.12Å; I75-F137 HydrophobicContact CD1-CD2 4.04Å; I75-F137 HydrophobicContact CD1-CE2 3.87Å; I75-F137 HydrophobicContact CG1-CE2 3.95Å; I75-F137 HydrophobicContact CG2-CE2 3.87Å; I75-F148 HydrophobicContact CD1-CB 4.33Å; I75-F148 HydrophobicContact CD1-CD1 3.58Å; I75-F148 HydrophobicContact CD1-CE1 4.24Å; I75-F148 HydrophobicContact CD1-CG 4.17Å; I75-F148 HydrophobicContact CG1-CB 4.47Å; I75-F148 HydrophobicContact CG1-CD1 3.94Å
76	E	75.7	Confident	74	Confident	6 Å²	6	51 Å²	51	3%	0.028	26%	0.255	C	S	.	.			trans	-51.7	145.1	176.4	-173.5	-108.5	-165.8	0	0	112	Y45 Y78 N85 D86 I143	Y45-E76 VanDerWaalsContact OH-CB 3.22Å; Y45-E76 WeakPolarHBondContact OH-CB 3.44Å; Y45-E76 PolarHBondContact OH-N 2.95Å; Y45-E76 VanDerWaalsContact OH-N 3.07Å; E76-Y78 WeakPolarHBondContact OE1-CE2 3.32Å; E76-N85 VanDerWaalsContact OE2-CB 3.24Å; E76-N85 WeakPolarHBondContact OE2-CB 3.18Å; E76-D86 HydrophobicContact CB-CB 4.04Å; E76-D86 WeakPolarHBondContact O-CB 3.27Å; E76-I143 HydrophobicContact CB-CG2 4.42Å; E76-I143 HydrophobicContact CG-CB 4.19Å; E76-I143 HydrophobicContact CG-CG2 3.84Å
77	G	68.2	Low	74.1	Confident	5 Å²	5	51.4 Å²	51.4	5%	0.052	26%	0.256	C	S	.	.			trans	-173.1	143.5	-179.1	0	0	0	0	0	110	Y119	G77-Y119 VanDerWaalsContact O-CD2 3.28Å; G77-Y119 WeakPolarHBondContact O-CD2 3.09Å; G77-Y119 WeakPolarHBondContact O-CE2 3.17Å
78	Y	60.5	Low	74.2	Confident	104 Å²	104	51.1 Å²	51.1	41%	0.408	25%	0.254	S	S	.	.			trans	-115.6	134.9	175.8	-66	-75.3	0	0	0	110.5	E76 K81 I143	E76-Y78 WeakPolarHBondContact OE1-CE2 3.32Å; Y78-K81 PolarHBondContact O-N 2.84Å; Y78-I143 WeakPolarHBondContact OH-CD1 3.14Å
79	E	49.2	Very low	74.3	Confident	86 Å²	86	51.1 Å²	51.1	40%	0.402	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	135.1	176.7	-154.5	168.1	-171.8	0	0	110.8	M198	E79-M198 VanDerWaalsContact OE2-CB 3.23Å; E79-M198 WeakPolarHBondContact OE2-CB 3.36Å
80	G	56.1	Low	74.6	Confident	79 Å²	79	49 Å²	49	81%	0.814	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	97.3	-16.2	-169.7	0	0	0	0	0	115.2
81	K	56	Low	75	Confident	110 Å²	110	47.6 Å²	47.6	48%	0.478	24%	0.235	S	C	.	.	S	Bend	trans	-118.7	21.2	-179.8	-70.6	-166.8	178.1	-178	0	115.1	Y78 C83 E84	Y78-K81 PolarHBondContact O-N 2.84Å; K81-C83 PolarHBondContact O-N 3.01Å; K81-E84 HydrophobicContact CB-CB 4.18Å; K81-E84 HydrophobicContact CB-CG 4.47Å; K81-E84 WeakPolarHBondContact O-CA 3.4Å; K81-E84 WeakPolarHBondContact O-CB 3.36Å; K81-E84 WeakPolarHBondContact O-CG 3.09Å; K81-E84 PolarHBondContact O-N 2.87Å
82	R	64.3	Low	75.7	Confident	234 Å²	234	44.9 Å²	44.9	88%	0.883	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	36	58.1	170.7	-72.3	-172.9	168.7	174.5	-1.9	115.7	E84	R82-E84 VanDerWaalsContact C-N 3.26Å; R82-E84 PolarHBondContact O-N 2.87Å
83	C	77.6	Confident	76.4	Confident	5 Å²	5	45.8 Å²	45.8	3%	0.034	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	41.3	-179.2	-44.8	0	0	0	0	113.1	K81 N85 W87 R108 V115 C117	K81-C83 PolarHBondContact O-N 3.01Å; C83-N85 VanDerWaalsContact C-N 3.33Å; C83-N85 PolarHBondContact O-N 3.4Å; C83-W87 HydrophobicContact CB-CB 3.99Å; C83-W87 WeakPolarHBondContact O-CB 3.44Å; C83-R108 PolarHBondContact O-NH2 2.92Å; C83-V115 HydrophobicContact CB-CG1 4.08Å; C83-C117 HydrophobicContact CB-CB 3.73Å; C83-C117 WeakPolarHBondContact CB-SG 3.33Å; C83-C117 WeakPolarHBondContact SG-CB 3.46Å; C83-C117 PolarHBondContact SG-N 3.11Å; C83-C117 CovalentContact SG-SG 2.04Å; C83-C117 PolarHBondContact SG-SG 3.4Å
84	E	77.4	Confident	76.6	Confident	99 Å²	99	50.9 Å²	50.9	46%	0.463	25%	0.25	S	S	.	.			trans	-75.4	-15.2	-175.6	-90.4	168.6	-158.4	0	0	115.2	K81 R82 R108	K81-E84 HydrophobicContact CB-CB 4.18Å; K81-E84 HydrophobicContact CB-CG 4.47Å; K81-E84 WeakPolarHBondContact O-CA 3.4Å; K81-E84 WeakPolarHBondContact O-CB 3.36Å; K81-E84 WeakPolarHBondContact O-CG 3.09Å; K81-E84 PolarHBondContact O-N 2.87Å; R82-E84 VanDerWaalsContact C-N 3.26Å; R82-E84 PolarHBondContact O-N 2.87Å; E84-R108 VanDerWaalsContact CA-NH1 3.33Å; E84-R108 PolarHBondContact O-NH1 2.8Å; E84-R108 PolarHBondContact O-NH2 2.89Å
85	N	81.5	Confident	77.1	Confident	42 Å²	42	48 Å²	48	23%	0.225	24%	0.238	C	C	.	.	S	Bend	trans	-98.7	-73.8	178.9	-70.3	-4.8	0	0	0	107.6	E76 C83 D140	E76-N85 VanDerWaalsContact OE2-CB 3.24Å; E76-N85 WeakPolarHBondContact OE2-CB 3.18Å; C83-N85 VanDerWaalsContact C-N 3.33Å; C83-N85 PolarHBondContact O-N 3.4Å; N85-D140 HydrophobicContact CB-CB 4.38Å; N85-D140 VanDerWaalsContact CB-OD2 3.28Å; N85-D140 WeakPolarHBondContact CB-OD2 3.37Å; N85-D140 VanDerWaalsContact CG-OD2 3.22Å
86	D	86.2	Confident	77.4	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.246	C	C	.	.	S	Bend	trans	-105.4	131.6	179	-63.9	4.9	0	0	0	111.2	Y45 I75 E76 C138 S139 D140	Y45-D86 WeakPolarHBondContact CE2-OD2 3.27Å; Y45-D86 PolarHBondContact OH-OD2 3.47Å; I75-D86 HydrophobicContact CG2-CB 3.63Å; E76-D86 HydrophobicContact CB-CB 4.04Å; E76-D86 WeakPolarHBondContact O-CB 3.27Å; D86-C138 CarbonylContact C-O 3.37Å; D86-C138 VanDerWaalsContact CA-O 3.3Å; D86-C138 WeakPolarHBondContact CA-O 3.24Å; D86-S139 WeakPolarHBondContact OD1-CA 3.39Å; D86-S139 WeakPolarHBondContact OD1-CB 3.32Å; D86-S139 WeakPolarHBondContact OD2-CB 3.35Å; D86-D140 PolarHBondContact OD1-N 3.18Å
87	W	86.3	Confident	77.9	Confident	9 Å²	9	53.5 Å²	53.5	3%	0.034	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	149.2	-175	56.8	-74.9	0	0	0	113.8	C83 A89 R108 V115 E136 F137 C138	C83-W87 HydrophobicContact CB-CB 3.99Å; C83-W87 WeakPolarHBondContact O-CB 3.44Å; W87-A89 HydrophobicContact CE3-CB 3.7Å; W87-A89 HydrophobicContact CZ3-CB 3.57Å; W87-R108 HydrophobicContact CZ2-CG 4.31Å; W87-V115 HydrophobicContact CB-CG1 3.72Å; W87-V115 HydrophobicContact CG-CG1 4.41Å; W87-E136 HydrophobicContact CH2-CG 3.9Å; W87-E136 VanDerWaalsContact CH2-OE2 3.29Å; W87-E136 WeakPolarHBondContact CH2-OE2 3.08Å; W87-E136 HydrophobicContact CZ3-CB 4.27Å; W87-E136 HydrophobicContact CZ3-CG 3.97Å; W87-F137 WeakPolarHBondContact O-CA 3.36Å; W87-F137 WeakPolarHBondContact O-CD2 3.35Å; W87-C138 HydrophobicContact CD2-CB 4.12Å; W87-C138 HydrophobicContact CG-CB 4.44Å; W87-C138 VanDerWaalsContact CH2-SG 3.6Å; W87-C138 HydrophobicContact CZ2-CB 3.8Å; W87-C138 WeakPolarHBondContact CZ2-SG 3.21Å; W87-C138 PolarHBondContact N-O 2.78Å; W87-C138 PolarHBondContact O-N 2.92Å
88	L	88.7	Confident	78.9	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	121.4	171.2	175.5	68.7	0	0	0	109.6	F70 I75 L90 V115 F116 I135 E136 F137 F148	F70-L88 HydrophobicContact CD1-CD2 4.17Å; F70-L88 HydrophobicContact CE1-CD2 3.54Å; F70-L88 HydrophobicContact CZ-CD2 4.12Å; I75-L88 HydrophobicContact CD1-CB 3.53Å; I75-L88 HydrophobicContact CD1-CD2 4.18Å; I75-L88 HydrophobicContact CD1-CG 4.45Å; L88-L90 HydrophobicContact CG-CD1 4.25Å; L88-V115 CarbonylContact O-C 3.05Å; L88-V115 WeakPolarHBondContact O-CA 2.84Å; L88-F116 HydrophobicContact CB-CB 4.39Å; L88-F116 PolarHBondContact N-O 3.18Å; L88-F116 PolarHBondContact O-N 2.94Å; L88-I135 HydrophobicContact CD1-CG2 3.46Å; L88-I135 VanDerWaalsContact CD1-CG2 3.46Å; L88-E136 CarbonylContact C-O 3.2Å; L88-E136 WeakPolarHBondContact CA-O 3.2Å; L88-F137 HydrophobicContact CB-CD2 4.45Å; L88-F137 HydrophobicContact CD1-CB 4.15Å; L88-F148 HydrophobicContact CD1-CD2 4.39Å; L88-F148 HydrophobicContact CD1-CE1 4.05Å; L88-F148 HydrophobicContact CD1-CE2 3.73Å; L88-F148 HydrophobicContact CD1-CZ 3.55Å; L88-F148 HydrophobicContact CD2-CD1 4.44Å; L88-F148 HydrophobicContact CD2-CD2 3.88Å; L88-F148 HydrophobicContact CD2-CE2 4.06Å; L88-F148 HydrophobicContact CD2-CG 4.09Å; L88-F148 HydrophobicContact CD2-CZ 4.44Å
89	A	88.5	Confident	80.2	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	148.6	174.9	0	0	0	0	0	112.4	W87 Y91 G114 V115 I135 E136	W87-A89 HydrophobicContact CE3-CB 3.7Å; W87-A89 HydrophobicContact CZ3-CB 3.57Å; A89-Y91 HydrophobicContact CB-CD2 4.44Å; A89-Y91 HydrophobicContact CB-CE2 3.59Å; A89-G114 WeakPolarHBondContact CA-O 3.24Å; A89-V115 HydrophobicContact CB-CG2 4.28Å; A89-I135 WeakPolarHBondContact O-CA 3.24Å; A89-E136 PolarHBondContact N-O 3.41Å; A89-E136 PolarHBondContact O-N 3Å
90	L	89	Confident	82	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	132.2	176.6	-78.1	83.5	0	0	0	109.7	I68 F70 L88 S112 L113 G114 F116 L126 I133 T134 I135	I68-L90 HydrophobicContact CD1-CD2 3.72Å; I68-L90 HydrophobicContact CG2-CD2 4.42Å; F70-L90 HydrophobicContact CE2-CD1 4.32Å; F70-L90 HydrophobicContact CE2-CD2 4.38Å; F70-L90 HydrophobicContact CZ-CD1 3.67Å; F70-L90 HydrophobicContact CZ-CD2 4.03Å; F70-L90 HydrophobicContact CZ-CG 4.49Å; L88-L90 HydrophobicContact CG-CD1 4.25Å; L90-S112 WeakPolarHBondContact O-CB 3.21Å; L90-L113 HydrophobicContact CB-CB 4.09Å; L90-L113 HydrophobicContact CB-CD1 4.28Å; L90-L113 WeakPolarHBondContact O-CB 3.45Å; L90-L113 PolarHBondContact O-N 2.9Å; L90-G114 PolarHBondContact N-O 3.35Å; L90-F116 HydrophobicContact CD1-CD2 3.83Å; L90-F116 HydrophobicContact CD1-CE2 3.65Å; L90-L126 HydrophobicContact CD2-CD2 3.88Å; L90-I133 HydrophobicContact CD2-CG2 4.32Å; L90-T134 CarbonylContact C-O 3.55Å; L90-T134 WeakPolarHBondContact CA-O 3.11Å; L90-I135 HydrophobicContact CD1-CG2 4.43Å; L90-I135 HydrophobicContact CD2-CG1 4.34Å; L90-I135 HydrophobicContact CG-CG1 4.13Å; L90-I135 HydrophobicContact CG-CG2 4.46Å
91	Y	88.4	Confident	83.5	Confident	1 Å²	1	55.3 Å²	55.3	0%	0.004	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	136.1	-178.4	-56.3	-86	0	0	0	110.1	A89 Q95 L99 N107 V110 I133 T134 E136	A89-Y91 HydrophobicContact CB-CD2 4.44Å; A89-Y91 HydrophobicContact CB-CE2 3.59Å; Y91-Q95 HydrophobicContact CD1-CB 4.22Å; Y91-L99 HydrophobicContact CD1-CD2 4.03Å; Y91-L99 HydrophobicContact CD2-CD1 3.76Å; Y91-L99 HydrophobicContact CD2-CD2 4.21Å; Y91-L99 HydrophobicContact CE1-CD2 3.72Å; Y91-L99 HydrophobicContact CE2-CD1 4.11Å; Y91-L99 HydrophobicContact CE2-CD2 3.9Å; Y91-L99 HydrophobicContact CG-CD1 3.99Å; Y91-L99 HydrophobicContact CG-CD2 4.25Å; Y91-N107 PolarHBondContact OH-O 2.99Å; Y91-V110 HydrophobicContact CD1-CB 4.48Å; Y91-V110 HydrophobicContact CD1-CG1 3.94Å; Y91-V110 HydrophobicContact CE1-CB 3.94Å; Y91-V110 HydrophobicContact CE1-CG1 3.91Å; Y91-I133 WeakPolarHBondContact O-CA 3.02Å; Y91-T134 PolarHBondContact N-O 2.81Å; Y91-T134 PolarHBondContact O-N 2.75Å; Y91-E136 HydrophobicContact CE2-CB 4.08Å
92	T	87.2	Confident	84.9	Confident	18 Å²	18	54.1 Å²	54.1	11%	0.11	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	162.9	166	60.8	0	0	0	0	110.6	N94 Q95 A96 L113	T92-N94 VanDerWaalsContact C-N 3.27Å; T92-N94 PolarHBondContact O-N 3.08Å; T92-Q95 PolarHBondContact O-N 3.22Å; T92-Q95 VanDerWaalsContact OG1-CG 3.32Å; T92-Q95 WeakPolarHBondContact OG1-CG 3.37Å; T92-Q95 PolarHBondContact OG1-N 3.21Å; T92-Q95 PolarHBondContact OG1-OE1 2.76Å; T92-A96 WeakPolarHBondContact O-CB 3.13Å; T92-A96 PolarHBondContact O-N 2.98Å; T92-L113 HydrophobicContact CG2-CD1 3.87Å; T92-L113 HydrophobicContact CG2-CD2 3.91Å; T92-L113 HydrophobicContact CG2-CG 4.08Å
93	E	85.3	Confident	85.9	Confident	50 Å²	50	44 Å²	44	23%	0.234	24%	0.241	C	C	.	.	H	α-helix	trans	-50.9	-42.8	176.8	-170.9	169.7	-132.4	0	0	113.5	R58 A96 S97 N132	R58-E93 IonicContact CZ-OE2 3.67Å; R58-E93 VanDerWaalsContact CZ-OE2 3.23Å; R58-E93 IonicContact NE-OE1 3.73Å; R58-E93 PolarHBondContact NE-OE1 2.86Å; R58-E93 IonicContact NE-OE2 2.68Å; R58-E93 PolarHBondContact NE-OE2 3Å; R58-E93 IonicContact NH2-OE2 2.91Å; R58-E93 PolarHBondContact NH2-OE2 3.08Å; E93-A96 PolarHBondContact O-N 2.68Å; E93-S97 PolarHBondContact O-N 2.8Å; E93-N132 HydrophobicContact CB-CB 4.34Å; E93-N132 HydrophobicContact CG-CB 4.34Å; E93-N132 PolarHBondContact N-O 3Å; E93-N132 VanDerWaalsContact N-O 3.1Å; E93-N132 PolarHBondContact OE1-ND2 2.85Å
94	N	84.9	Confident	86.2	Confident	122 Å²	122	46 Å²	46	65%	0.652	25%	0.251	S	S	*	.	H	α-helix	trans	-67	-41	177.8	-70.5	-17.3	0	0	0	112	T92 S97	T92-N94 VanDerWaalsContact C-N 3.27Å; T92-N94 PolarHBondContact O-N 3.08Å; N94-S97 PolarHBondContact O-OG 3.34Å
95	Q	88.3	Confident	86.3	Confident	39 Å²	39	46.5 Å²	46.5	18%	0.182	26%	0.263	C	S	.	.	H	α-helix	trans	-69.9	-38.1	177.6	-69.2	160.7	-32.1	0	0	111.2	Y91 T92 S97 Q98 V110 P111	Y91-Q95 HydrophobicContact CD1-CB 4.22Å; T92-Q95 PolarHBondContact O-N 3.22Å; T92-Q95 VanDerWaalsContact OG1-CG 3.32Å; T92-Q95 WeakPolarHBondContact OG1-CG 3.37Å; T92-Q95 PolarHBondContact OG1-N 3.21Å; T92-Q95 PolarHBondContact OG1-OE1 2.76Å; Q95-S97 PolarHBondContact O-N 2.77Å; Q95-Q98 WeakPolarHBondContact O-CB 3.38Å; Q95-Q98 PolarHBondContact O-N 2.8Å; Q95-V110 HydrophobicContact CB-CG1 4.14Å; Q95-P111 VanDerWaalsContact CG-O 3.22Å; Q95-P111 WeakPolarHBondContact CG-O 3.34Å; Q95-P111 PolarHBondContact NE2-O 2.85Å
96	A	86.8	Confident	86.2	Confident	21 Å²	21	46 Å²	46	17%	0.174	26%	0.263	C	S	.	.	H	α-helix	trans	-61	-29	179.6	0	0	0	0	0	112.5	T92 E93 Q98 L99 T134	T92-A96 WeakPolarHBondContact O-CB 3.13Å; T92-A96 PolarHBondContact O-N 2.98Å; E93-A96 PolarHBondContact O-N 2.68Å; A96-Q98 PolarHBondContact O-N 3.35Å; A96-L99 HydrophobicContact CB-CD1 4.19Å; A96-L99 WeakPolarHBondContact O-CB 3.37Å; A96-L99 PolarHBondContact O-N 3.34Å; A96-L99 VanDerWaalsContact O-N 3.16Å; A96-T134 WeakPolarHBondContact CB-OG1 3.45Å
97	S	86.3	Confident	86.1	Confident	99 Å²	99	46 Å²	46	69%	0.692	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-19.4	174.6	75.7	0	0	0	0	114.4	E93 N94 Q95	E93-S97 PolarHBondContact O-N 2.8Å; N94-S97 PolarHBondContact O-OG 3.34Å; Q95-S97 PolarHBondContact O-N 2.77Å
98	Q	87.6	Confident	85.5	Confident	119 Å²	119	50.1 Å²	50.1	56%	0.556	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-10.2	178.4	-57.1	-179.7	-6.2	0	0	112.6	Q95 A96 V110	Q95-Q98 WeakPolarHBondContact O-CB 3.38Å; Q95-Q98 PolarHBondContact O-N 2.8Å; A96-Q98 PolarHBondContact O-N 3.35Å; Q98-V110 HydrophobicContact CB-CG1 4.21Å; Q98-V110 HydrophobicContact CB-CG2 4.05Å
99	L	87.9	Confident	84.8	Confident	22 Å²	22	57.2 Å²	57.2	12%	0.115	32%	0.316	C	S	.	.			trans	-71.2	142.8	-179.7	-60.4	174	0	0	0	110.6	Y91 A96 N107 V110 T134	Y91-L99 HydrophobicContact CD1-CD2 4.03Å; Y91-L99 HydrophobicContact CD2-CD1 3.76Å; Y91-L99 HydrophobicContact CD2-CD2 4.21Å; Y91-L99 HydrophobicContact CE1-CD2 3.72Å; Y91-L99 HydrophobicContact CE2-CD1 4.11Å; Y91-L99 HydrophobicContact CE2-CD2 3.9Å; Y91-L99 HydrophobicContact CG-CD1 3.99Å; Y91-L99 HydrophobicContact CG-CD2 4.25Å; A96-L99 HydrophobicContact CB-CD1 4.19Å; A96-L99 WeakPolarHBondContact O-CB 3.37Å; A96-L99 PolarHBondContact O-N 3.34Å; A96-L99 VanDerWaalsContact O-N 3.16Å; L99-N107 HydrophobicContact CD2-CB 3.74Å; L99-V110 HydrophobicContact CD2-CB 4.26Å; L99-V110 HydrophobicContact CD2-CG1 4.38Å; L99-V110 HydrophobicContact CD2-CG2 4.09Å; L99-T134 HydrophobicContact CD1-CG2 4.01Å
100	K	88.2	Confident	84.3	Confident	126 Å²	126	57.9 Å²	57.9	55%	0.548	32%	0.32	S	S	.	.			trans	-94.1	-144.5	171.6	-62.3	-173	-170.5	154.4	0	110	R52 D104 S106 N107	R52-K100 PolarHBondContact NH1-O 3.43Å; R52-K100 PolarHBondContact NH2-O 2.83Å; K100-D104 HydrophobicContact CB-CB 3.92Å; K100-S106 WeakPolarHBondContact CD-OG 3.35Å; K100-S106 WeakPolarHBondContact CE-OG 2.96Å; K100-S106 PolarHBondContact NZ-OG 3.15Å; K100-N107 PolarHBondContact N-OD1 2.02Å
101	G	86.6	Confident	83.7	Confident	45 Å²	45	61.9 Å²	61.9	46%	0.464	35%	0.346	S	S	.	.	S	Bend	trans	-52.5	159.8	173.9	0	0	0	0	0	112.4	R52 C103 D104 N107	R52-G101 PolarHBondContact NH2-O 2.99Å; G101-C103 PolarHBondContact O-N 3.02Å; G101-D104 WeakPolarHBondContact O-CB 3.2Å; G101-D104 PolarHBondContact O-N 3.49Å; G101-D104 VanDerWaalsContact O-N 3.14Å; G101-N107 PolarHBondContact O-ND2 2.76Å
102	I	85.4	Confident	83.2	Confident	86 Å²	86	63.5 Å²	63.5	44%	0.441	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	126.2	176.9	-56.3	175.7	0	0	0	108.1	K50 R52 D104	K50-I102 HydrophobicContact CB-CG2 3.95Å; R52-I102 HydrophobicContact CB-CD1 4.3Å; R52-I102 HydrophobicContact CB-CG1 4.16Å; R52-I102 HydrophobicContact CB-CG2 4.24Å; I102-D104 VanDerWaalsContact C-N 3.26Å; I102-D104 PolarHBondContact O-N 3.27Å
103	C	85.6	Confident	82.8	Confident	20 Å²	20	65.1 Å²	65.1	14%	0.135	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	32.6	-176.6	-55.7	0	0	0	0	114.6	K50 G101 E136 F137 C138	K50-C103 HydrophobicContact CB-CB 4.33Å; K50-C103 HydrophobicContact CD-CB 4Å; K50-C103 HydrophobicContact CG-CB 3.92Å; G101-C103 PolarHBondContact O-N 3.02Å; C103-E136 PolarHBondContact N-OE1 3.25Å; C103-F137 PolarHBondContact SG-O 3.26Å; C103-C138 WeakPolarHBondContact CA-SG 3.1Å; C103-C138 HydrophobicContact CB-CB 3.81Å; C103-C138 WeakPolarHBondContact CB-SG 3.38Å; C103-C138 VanDerWaalsContact SG-CA 3.53Å; C103-C138 WeakPolarHBondContact SG-CB 3.24Å; C103-C138 CovalentContact SG-SG 2.02Å; C103-C138 PolarHBondContact SG-SG 2.9Å
104	D	85.2	Confident	82.5	Confident	47 Å²	47	63.6 Å²	63.6	25%	0.251	36%	0.363	S	S	.	.			trans	-66.1	130.1	168.9	-174.1	-65.8	0	0	0	109.5	K100 G101 I102 S106 N107	K100-D104 HydrophobicContact CB-CB 3.92Å; G101-D104 WeakPolarHBondContact O-CB 3.2Å; G101-D104 PolarHBondContact O-N 3.49Å; G101-D104 VanDerWaalsContact O-N 3.14Å; I102-D104 VanDerWaalsContact C-N 3.26Å; I102-D104 PolarHBondContact O-N 3.27Å; D104-S106 PolarHBondContact O-N 3.27Å; D104-S106 WeakPolarHBondContact OD1-CA 3.31Å; D104-S106 VanDerWaalsContact OD1-CB 3.29Å; D104-S106 WeakPolarHBondContact OD1-CB 3.32Å; D104-S106 PolarHBondContact OD1-N 2.83Å; D104-S106 PolarHBondContact OD1-OG 2.9Å; D104-N107 VanDerWaalsContact O-CB 3.23Å; D104-N107 WeakPolarHBondContact O-CB 3.43Å; D104-N107 PolarHBondContact O-N 2.75Å
105	P	77.7	Confident	82.4	Confident	110 Å²	110	59.6 Å²	59.6	71%	0.714	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-54.6	-27.9	-179.5	-27.7	34.9	0	0	0	114.3	N107 R108	P105-N107 VanDerWaalsContact C-N 3.3Å; P105-N107 PolarHBondContact O-N 2.98Å; P105-R108 PolarHBondContact O-N 3.29Å
106	S	80.6	Confident	82.2	Confident	31 Å²	31	58.2 Å²	58.2	22%	0.217	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-73.4	-17.1	176.8	65.6	0	0	0	0	114	K100 D104 R108 L109	K100-S106 WeakPolarHBondContact CD-OG 3.35Å; K100-S106 WeakPolarHBondContact CE-OG 2.96Å; K100-S106 PolarHBondContact NZ-OG 3.15Å; D104-S106 PolarHBondContact O-N 3.27Å; D104-S106 WeakPolarHBondContact OD1-CA 3.31Å; D104-S106 VanDerWaalsContact OD1-CB 3.29Å; D104-S106 WeakPolarHBondContact OD1-CB 3.32Å; D104-S106 PolarHBondContact OD1-N 2.83Å; D104-S106 PolarHBondContact OD1-OG 2.9Å; S106-R108 PolarHBondContact O-N 2.77Å; S106-L109 WeakPolarHBondContact O-CB 3.39Å; S106-L109 PolarHBondContact O-N 3.2Å
107	N	84	Confident	82	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.005	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-62.9	-23.8	174	-65.3	-8.8	0	0	0	112.2	R52 Y91 L99 K100 G101 D104 P105 L109 V110 E136	R52-N107 PolarHBondContact NH2-ND2 3.16Å; R52-N107 VanDerWaalsContact NH2-ND2 3.17Å; Y91-N107 PolarHBondContact OH-O 2.99Å; L99-N107 HydrophobicContact CD2-CB 3.74Å; K100-N107 PolarHBondContact N-OD1 2.02Å; G101-N107 PolarHBondContact O-ND2 2.76Å; D104-N107 VanDerWaalsContact O-CB 3.23Å; D104-N107 WeakPolarHBondContact O-CB 3.43Å; D104-N107 PolarHBondContact O-N 2.75Å; P105-N107 VanDerWaalsContact C-N 3.3Å; P105-N107 PolarHBondContact O-N 2.98Å; N107-L109 PolarHBondContact O-N 2.92Å; N107-V110 WeakPolarHBondContact O-CB 3.42Å; N107-V110 PolarHBondContact O-N 2.84Å; N107-E136 PolarHBondContact ND2-OE2 3.12Å
108	R	72.6	Confident	81.2	Confident	95 Å²	95	53.1 Å²	53.1	36%	0.358	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-66.7	-23	174.3	-70.7	-173.6	167.8	167.9	3.7	114	C83 E84 W87 P105 S106 V110	C83-R108 PolarHBondContact O-NH2 2.92Å; E84-R108 VanDerWaalsContact CA-NH1 3.33Å; E84-R108 PolarHBondContact O-NH1 2.8Å; E84-R108 PolarHBondContact O-NH2 2.89Å; W87-R108 HydrophobicContact CZ2-CG 4.31Å; P105-R108 PolarHBondContact O-N 3.29Å; S106-R108 PolarHBondContact O-N 2.77Å; R108-V110 VanDerWaalsContact C-N 3.33Å
109	L	74.8	Confident	80.2	Confident	149 Å²	149	50 Å²	50	78%	0.78	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-84.7	-14	177.9	-59.9	172.4	0	0	0	111.9	S106 N107	S106-L109 WeakPolarHBondContact O-CB 3.39Å; S106-L109 PolarHBondContact O-N 3.2Å; N107-L109 PolarHBondContact O-N 2.92Å
110	V	77.7	Confident	79.3	Confident	14 Å²	14	53 Å²	53	9%	0.085	30%	0.298	C	S	.	.	S	Bend	trans	-70	125.9	174.8	179	0	0	0	0	107.6	Y91 Q95 Q98 L99 N107 R108 S112	Y91-V110 HydrophobicContact CD1-CB 4.48Å; Y91-V110 HydrophobicContact CD1-CG1 3.94Å; Y91-V110 HydrophobicContact CE1-CB 3.94Å; Y91-V110 HydrophobicContact CE1-CG1 3.91Å; Q95-V110 HydrophobicContact CB-CG1 4.14Å; Q98-V110 HydrophobicContact CB-CG1 4.21Å; Q98-V110 HydrophobicContact CB-CG2 4.05Å; L99-V110 HydrophobicContact CD2-CB 4.26Å; L99-V110 HydrophobicContact CD2-CG1 4.38Å; L99-V110 HydrophobicContact CD2-CG2 4.09Å; N107-V110 WeakPolarHBondContact O-CB 3.42Å; N107-V110 PolarHBondContact O-N 2.84Å; R108-V110 VanDerWaalsContact C-N 3.33Å; V110-S112 PolarHBondContact O-N 2.86Å
111	P	76.9	Confident	78.3	Confident	85 Å²	85	52.9 Å²	52.9	55%	0.552	30%	0.299	S	S	*	.			trans	-56.2	112.4	174.7	-19.9	30.3	0	0	0	108.5	Q95	Q95-P111 VanDerWaalsContact CG-O 3.22Å; Q95-P111 WeakPolarHBondContact CG-O 3.34Å; Q95-P111 PolarHBondContact NE2-O 2.85Å
112	S	78.2	Confident	77.6	Confident	35 Å²	35	51.5 Å²	51.5	25%	0.245	28%	0.282	C	S	.	.			trans	-100.4	169.7	178.9	71.7	0	0	0	0	110.6	L90 V110 G114	L90-S112 WeakPolarHBondContact O-CB 3.21Å; V110-S112 PolarHBondContact O-N 2.86Å; S112-G114 PolarHBondContact O-N 3.42Å; S112-G114 VanDerWaalsContact OG-C 3.25Å; S112-G114 PolarHBondContact OG-N 2.84Å; S112-G114 PolarHBondContact OG-O 2.87Å; S112-G114 VanDerWaalsContact OG-O 3.08Å
113	L	78.5	Confident	76.7	Confident	52 Å²	52	50.1 Å²	50.1	27%	0.272	28%	0.279	S	S	.	.	S	Bend	trans	-72	-8.6	168.2	-63.8	171.6	0	0	0	112.3	L90 T92 L126 L128	L90-L113 HydrophobicContact CB-CB 4.09Å; L90-L113 HydrophobicContact CB-CD1 4.28Å; L90-L113 WeakPolarHBondContact O-CB 3.45Å; L90-L113 PolarHBondContact O-N 2.9Å; T92-L113 HydrophobicContact CG2-CD1 3.87Å; T92-L113 HydrophobicContact CG2-CD2 3.91Å; T92-L113 HydrophobicContact CG2-CG 4.08Å; L113-L126 HydrophobicContact CB-CD2 4.41Å; L113-L126 HydrophobicContact CD1-CD2 4.07Å; L113-L128 HydrophobicContact CD1-CD1 3.53Å; L113-L128 HydrophobicContact CD1-CD2 4.19Å; L113-L128 HydrophobicContact CD1-CG 4.49Å; L113-L128 HydrophobicContact CD2-CD2 4.19Å
114	G	78.3	Confident	75.6	Confident	17 Å²	17	53 Å²	53	18%	0.175	30%	0.304	C	S	.	.			trans	152.7	157.1	177	0	0	0	0	0	110.7	A89 L90 S112 F116	A89-G114 WeakPolarHBondContact CA-O 3.24Å; L90-G114 PolarHBondContact N-O 3.35Å; S112-G114 PolarHBondContact O-N 3.42Å; S112-G114 VanDerWaalsContact OG-C 3.25Å; S112-G114 PolarHBondContact OG-N 2.84Å; S112-G114 PolarHBondContact OG-O 2.87Å; S112-G114 VanDerWaalsContact OG-O 3.08Å; G114-F116 VanDerWaalsContact CA-CZ 3.49Å
115	V	82.4	Confident	74.4	Confident	39 Å²	39	53.3 Å²	53.3	24%	0.236	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	119.6	171.6	-178.3	0	0	0	0	106.3	C83 W87 L88 A89 N120	C83-V115 HydrophobicContact CB-CG1 4.08Å; W87-V115 HydrophobicContact CB-CG1 3.72Å; W87-V115 HydrophobicContact CG-CG1 4.41Å; L88-V115 CarbonylContact O-C 3.05Å; L88-V115 WeakPolarHBondContact O-CA 2.84Å; A89-V115 HydrophobicContact CB-CG2 4.28Å; V115-N120 PolarHBondContact O-ND2 3.02Å
116	F	85.8	Confident	74	Confident	9 Å²	9	49.4 Å²	49.4	4%	0.039	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	141.2	-166.2	-50.4	-65.1	0	0	0	111.4	I73 L88 L90 G114 N120 P122	I73-F116 HydrophobicContact CD1-CB 3.76Å; L88-F116 HydrophobicContact CB-CB 4.39Å; L88-F116 PolarHBondContact N-O 3.18Å; L88-F116 PolarHBondContact O-N 2.94Å; L90-F116 HydrophobicContact CD1-CD2 3.83Å; L90-F116 HydrophobicContact CD1-CE2 3.65Å; G114-F116 VanDerWaalsContact CA-CZ 3.49Å; F116-N120 VanDerWaalsContact CA-O 3.25Å; F116-N120 WeakPolarHBondContact CA-O 3.41Å; F116-N120 WeakPolarHBondContact CB-O 3.45Å; F116-N120 WeakPolarHBondContact CD1-O 3.37Å; F116-P122 HydrophobicContact CD1-CB 3.68Å; F116-P122 HydrophobicContact CD1-CG 4.4Å; F116-P122 HydrophobicContact CD2-CB 3.96Å; F116-P122 HydrophobicContact CE1-CB 3.68Å; F116-P122 HydrophobicContact CE2-CB 3.95Å; F116-P122 HydrophobicContact CG-CB 3.81Å; F116-P122 HydrophobicContact CG-CG 4.27Å; F116-P122 HydrophobicContact CZ-CB 3.79Å
117	C	81.1	Confident	73.7	Confident	3 Å²	3	49.5 Å²	49.5	2%	0.02	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-154.1	-179.4	170.8	60.3	0	0	0	0	107.8	I75 C83 Y119 N120	I75-C117 HydrophobicContact CB-CB 4.34Å; I75-C117 HydrophobicContact CG2-CB 4.07Å; C83-C117 HydrophobicContact CB-CB 3.73Å; C83-C117 WeakPolarHBondContact CB-SG 3.33Å; C83-C117 WeakPolarHBondContact SG-CB 3.46Å; C83-C117 PolarHBondContact SG-N 3.11Å; C83-C117 CovalentContact SG-SG 2.04Å; C83-C117 PolarHBondContact SG-SG 3.4Å; C117-Y119 PolarHBondContact O-N 2.74Å; C117-N120 PolarHBondContact N-O 3.47Å; C117-N120 CarbonylContact O-C 3.58Å; C117-N120 PolarHBondContact O-N 3.43Å
118	N	70.9	Confident	73.6	Confident	10 Å²	10	50.3 Å²	50.3	5%	0.053	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51	-34	-175	-71.7	-6.9	0	0	0	114.9	I73 F74 I75 D145 R257	I73-N118 PolarHBondContact O-OD1 2.85Å; F74-N118 VanDerWaalsContact C-OD1 3.26Å; F74-N118 WeakPolarHBondContact CA-OD1 3.47Å; F74-N118 PolarHBondContact N-OD1 2.82Å; I75-N118 PolarHBondContact N-OD1 3.47Å; I75-N118 WeakPolarHBondContact O-CB 3.32Å; I75-N118 PolarHBondContact O-N 2.64Å; I75-N118 PolarHBondContact O-ND2 2.06Å; I75-N118 PolarHBondContact O-OD1 3.12Å; N118-D145 PolarHBondContact ND2-OD2 3.29Å; N118-R257 PolarHBondContact ND2-NH2 3.17Å
119	Y	66	Low	73.9	Confident	55 Å²	55	49.3 Å²	49.3	22%	0.216	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-15.6	-179.2	-65.1	-86.9	0	0	0	114.3	G77 C117 E224 W284 S285	G77-Y119 VanDerWaalsContact O-CD2 3.28Å; G77-Y119 WeakPolarHBondContact O-CD2 3.09Å; G77-Y119 WeakPolarHBondContact O-CE2 3.17Å; C117-Y119 PolarHBondContact O-N 2.74Å; Y119-E224 WeakPolarHBondContact CE1-OE2 3.36Å; Y119-E224 PolarHBondContact OH-OE2 2.98Å; Y119-W284 HydrophobicContact CE1-CB 4.46Å; Y119-S285 VanDerWaalsContact CE1-CB 3.47Å
120	N	69.3	Low	74.2	Confident	84 Å²	84	43.3 Å²	43.3	45%	0.449	27%	0.268	S	S	.	.	B	Isolated β-bridge	trans	-124.5	73.9	176.8	-166.2	34.6	0	0	0	108.6	V115 F116 C117	V115-N120 PolarHBondContact O-ND2 3.02Å; F116-N120 VanDerWaalsContact CA-O 3.25Å; F116-N120 WeakPolarHBondContact CA-O 3.41Å; F116-N120 WeakPolarHBondContact CB-O 3.45Å; F116-N120 WeakPolarHBondContact CD1-O 3.37Å; C117-N120 PolarHBondContact N-O 3.47Å; C117-N120 CarbonylContact O-C 3.58Å; C117-N120 PolarHBondContact O-N 3.43Å
121	E	67.4	Low	74.5	Confident	123 Å²	123	44.2 Å²	44.2	58%	0.575	27%	0.271	S	S	*	.	P	Polyproline II helix	trans	-63.5	143.5	-179.5	-69.4	-173.4	167.4	0	0	111.5	I73	I73-E121 HydrophobicContact CG2-CG 4.08Å
122	P	70.9	Confident	74.9	Confident	16 Å²	16	41.9 Å²	41.9	10%	0.104	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-64.5	152	172.9	24.9	-29.7	0	0	0	111.7	F70 I73 F116 A124	F70-P122 HydrophobicContact CB-CG 3.64Å; F70-P122 HydrophobicContact CD1-CG 4.27Å; F70-P122 HydrophobicContact CD2-CB 3.47Å; F70-P122 VanDerWaalsContact CD2-CB 3.47Å; F70-P122 HydrophobicContact CD2-CG 3.2Å; F70-P122 HydrophobicContact CE2-CB 3.77Å; F70-P122 HydrophobicContact CE2-CG 3.88Å; F70-P122 HydrophobicContact CG-CB 4.22Å; F70-P122 HydrophobicContact CG-CG 3.43Å; F70-P122 VanDerWaalsContact CG-CG 3.43Å; I73-P122 HydrophobicContact CD1-CG 4.35Å; F116-P122 HydrophobicContact CD1-CB 3.68Å; F116-P122 HydrophobicContact CD1-CG 4.4Å; F116-P122 HydrophobicContact CD2-CB 3.96Å; F116-P122 HydrophobicContact CE1-CB 3.68Å; F116-P122 HydrophobicContact CE2-CB 3.95Å; F116-P122 HydrophobicContact CG-CB 3.81Å; F116-P122 HydrophobicContact CG-CG 4.27Å; F116-P122 HydrophobicContact CZ-CB 3.79Å; P122-A124 PolarHBondContact O-N 3.18Å
123	P	67.8	Low	75.3	Confident	58 Å²	58	40.2 Å²	40.2	38%	0.377	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-55.1	139.6	171.9	24	-32.5	0	0	0	109.3	L125 L126	P123-L125 PolarHBondContact O-N 3.34Å; P123-L126 HydrophobicContact CG-CD1 4.4Å
124	A	62.1	Low	75.8	Confident	79 Å²	79	38.2 Å²	38.2	65%	0.653	23%	0.233	S	C	*	.	S	Bend	trans	-51.6	-23.1	-175.2	0	0	0	0	0	113.9	P122	P122-A124 PolarHBondContact O-N 3.18Å
125	L	58.5	Low	76.3	Confident	55 Å²	55	37.7 Å²	37.7	29%	0.288	23%	0.226	S	C	.	.			trans	-149	123.5	176	-167.8	145.9	0	0	0	110.5	V67 P123 P159	V67-L125 HydrophobicContact CG1-CD1 3.82Å; V67-L125 HydrophobicContact CG1-CD2 4.09Å; V67-L125 HydrophobicContact CG1-CG 3.72Å; P123-L125 PolarHBondContact O-N 3.34Å; L125-P159 HydrophobicContact CD1-CB 4.36Å; L125-P159 HydrophobicContact CD2-CB 3.39Å; L125-P159 HydrophobicContact CD2-CG 3.38Å
126	L	71.1	Confident	76.6	Confident	27 Å²	27	35.8 Å²	35.8	14%	0.141	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	108.7	171.4	-169.8	72	0	0	0	109.3	V67 I68 L90 L113 P123 L128	V67-L126 WeakPolarHBondContact CA-O 3.4Å; I68-L126 HydrophobicContact CB-CB 4.42Å; I68-L126 PolarHBondContact N-O 3.25Å; I68-L126 PolarHBondContact O-N 3.46Å; L90-L126 HydrophobicContact CD2-CD2 3.88Å; L113-L126 HydrophobicContact CB-CD2 4.41Å; L113-L126 HydrophobicContact CD1-CD2 4.07Å; P123-L126 HydrophobicContact CG-CD1 4.4Å; L126-L128 HydrophobicContact CD2-CD1 3.99Å; L126-L128 HydrophobicContact CG-CD1 4.21Å; L126-L128 HydrophobicContact CG-CG 4.26Å
127	G	73.9	Confident	76.8	Confident	33 Å²	33	35.5 Å²	35.5	34%	0.34	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	120.3	176.7	0	0	0	0	0	111.5	V66	V66-G127 WeakPolarHBondContact O-CA 3.24Å
128	L	80.9	Confident	77.1	Confident	18 Å²	18	35.6 Å²	35.6	9%	0.094	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	148.1	179.9	-65	165	0	0	0	110.5	Y65 V66 L113 L126 I133	Y65-L128 CarbonylContact C-O 3.6Å; Y65-L128 VanDerWaalsContact CA-O 3.25Å; Y65-L128 WeakPolarHBondContact CA-O 3.33Å; Y65-L128 WeakPolarHBondContact CB-O 3.39Å; V66-L128 PolarHBondContact N-O 2.92Å; V66-L128 PolarHBondContact O-N 3.04Å; L113-L128 HydrophobicContact CD1-CD1 3.53Å; L113-L128 HydrophobicContact CD1-CD2 4.19Å; L113-L128 HydrophobicContact CD1-CG 4.49Å; L113-L128 HydrophobicContact CD2-CD2 4.19Å; L126-L128 HydrophobicContact CD2-CD1 3.99Å; L126-L128 HydrophobicContact CG-CD1 4.21Å; L126-L128 HydrophobicContact CG-CG 4.26Å; L128-I133 HydrophobicContact CB-CD1 4.37Å; L128-I133 HydrophobicContact CD1-CD1 3.48Å; L128-I133 VanDerWaalsContact CD1-CD1 3.48Å; L128-I133 HydrophobicContact CD1-CG1 3.84Å
129	P	80.6	Confident	77.8	Confident	75 Å²	75	35.5 Å²	35.5	49%	0.487	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	150.3	168.4	26.4	-33.4	0	0	0	109.7	Q131	P129-Q131 VanDerWaalsContact C-N 3.28Å; P129-Q131 VanDerWaalsContact O-CG 3.29Å; P129-Q131 WeakPolarHBondContact O-CG 3.35Å; P129-Q131 PolarHBondContact O-N 2.77Å
130	G	79.6	Confident	78.5	Confident	22 Å²	22	34.8 Å²	34.8	23%	0.227	21%	0.214	C	C	.	.	S	Bend	trans	-56.8	81.3	-176.1	0	0	0	0	0	114.8	A61 K64	A61-G130 WeakPolarHBondContact O-CA 3.35Å; K64-G130 WeakPolarHBondContact O-CA 3.25Å; K64-G130 PolarHBondContact O-N 2.96Å
131	Q	83.5	Confident	78.9	Confident	33 Å²	33	37.4 Å²	37.4	15%	0.154	22%	0.223	C	C	.	.			trans	-130.3	162.2	-177.6	71.8	-169.4	-35.6	0	0	109.4	G57 P129 I133	G57-Q131 VanDerWaalsContact CA-O 3.31Å; G57-Q131 WeakPolarHBondContact CA-O 3.39Å; P129-Q131 VanDerWaalsContact C-N 3.28Å; P129-Q131 VanDerWaalsContact O-CG 3.29Å; P129-Q131 WeakPolarHBondContact O-CG 3.35Å; P129-Q131 PolarHBondContact O-N 2.77Å; Q131-I133 HydrophobicContact CG-CG1 4.4Å
132	N	85.3	Confident	79.1	Confident	37 Å²	37	35.6 Å²	35.6	20%	0.198	22%	0.22	C	C	.	.			trans	-69.9	138.8	172.9	-63.9	-25.6	0	0	0	110	L55 L56 G57 R58 E93	L55-N132 VanDerWaalsContact O-CA 3.26Å; L55-N132 WeakPolarHBondContact O-CA 3.28Å; L56-N132 VanDerWaalsContact C-OD1 3.24Å; L56-N132 WeakPolarHBondContact CA-OD1 3.07Å; G57-N132 PolarHBondContact N-OD1 2.71Å; G57-N132 VanDerWaalsContact N-OD1 3.09Å; R58-N132 PolarHBondContact N-OD1 3.31Å; E93-N132 HydrophobicContact CB-CB 4.34Å; E93-N132 HydrophobicContact CG-CB 4.34Å; E93-N132 PolarHBondContact N-O 3Å; E93-N132 VanDerWaalsContact N-O 3.1Å; E93-N132 PolarHBondContact OE1-ND2 2.85Å
133	I	88.2	Confident	78.8	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	125	179.8	-61.7	156.3	0	0	0	107.7	L55 V66 I68 L90 Y91 L128 Q131 I135	L55-I133 HydrophobicContact CB-CB 4.18Å; L55-I133 WeakPolarHBondContact CB-O 3.4Å; L55-I133 HydrophobicContact CD1-CD1 4.32Å; L55-I133 PolarHBondContact N-O 2.89Å; L55-I133 PolarHBondContact O-N 2.81Å; V66-I133 HydrophobicContact CB-CD1 4.01Å; V66-I133 HydrophobicContact CG1-CD1 3.7Å; I68-I133 HydrophobicContact CD1-CD1 3.72Å; I68-I133 HydrophobicContact CD1-CG2 3.96Å; L90-I133 HydrophobicContact CD2-CG2 4.32Å; Y91-I133 WeakPolarHBondContact O-CA 3.02Å; L128-I133 HydrophobicContact CB-CD1 4.37Å; L128-I133 HydrophobicContact CD1-CD1 3.48Å; L128-I133 VanDerWaalsContact CD1-CD1 3.48Å; L128-I133 HydrophobicContact CD1-CG1 3.84Å; Q131-I133 HydrophobicContact CG-CG1 4.4Å; I133-I135 HydrophobicContact CG2-CG1 4.27Å
134	T	87.7	Confident	78.8	Confident	10 Å²	10	39.2 Å²	39.2	6%	0.061	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	124.7	175.5	-62.3	0	0	0	0	108.7	R52 Y53 N54 L90 Y91 A96 L99	R52-T134 HydrophobicContact CG-CG2 3.55Å; Y53-T134 CarbonylContact O-C 3.57Å; Y53-T134 WeakPolarHBondContact O-CA 3.35Å; N54-T134 WeakPolarHBondContact OD1-CB 3.32Å; N54-T134 WeakPolarHBondContact OD1-CG2 3.11Å; N54-T134 PolarHBondContact OD1-OG1 3.19Å; L90-T134 CarbonylContact C-O 3.55Å; L90-T134 WeakPolarHBondContact CA-O 3.11Å; Y91-T134 PolarHBondContact N-O 2.81Å; Y91-T134 PolarHBondContact O-N 2.75Å; A96-T134 WeakPolarHBondContact CB-OG1 3.45Å; L99-T134 HydrophobicContact CD1-CG2 4.01Å
135	I	88.9	Confident	79.2	Confident	5 Å²	5	36.1 Å²	36.1	3%	0.026	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	121	177.3	-52	179.2	0	0	0	106.7	R52 Y53 L88 A89 L90 I133 F150	R52-I135 CarbonylContact C-O 3.55Å; R52-I135 WeakPolarHBondContact CA-O 2.69Å; Y53-I135 HydrophobicContact CD1-CD1 4.32Å; Y53-I135 PolarHBondContact N-O 3.09Å; Y53-I135 PolarHBondContact O-N 3Å; L88-I135 HydrophobicContact CD1-CG2 3.46Å; L88-I135 VanDerWaalsContact CD1-CG2 3.46Å; A89-I135 WeakPolarHBondContact O-CA 3.24Å; L90-I135 HydrophobicContact CD1-CG2 4.43Å; L90-I135 HydrophobicContact CD2-CG1 4.34Å; L90-I135 HydrophobicContact CG-CG1 4.13Å; L90-I135 HydrophobicContact CG-CG2 4.46Å; I133-I135 HydrophobicContact CG2-CG1 4.27Å; I135-F150 HydrophobicContact CD1-CD1 4.45Å; I135-F150 HydrophobicContact CD1-CD2 3.96Å; I135-F150 HydrophobicContact CD1-CE1 3.96Å; I135-F150 HydrophobicContact CD1-CE2 3.43Å; I135-F150 VanDerWaalsContact CD1-CE2 3.43Å; I135-F150 HydrophobicContact CD1-CG 4.43Å; I135-F150 HydrophobicContact CD1-CZ 3.4Å; I135-F150 VanDerWaalsContact CD1-CZ 3.4Å
136	E	88.7	Confident	79.9	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	125.8	179.5	-179.8	156.9	-96.1	0	0	109.6	S51 R52 W87 L88 A89 Y91 C103 N107	S51-E136 CarbonylContact O-C 3.35Å; S51-E136 WeakPolarHBondContact O-CA 2.83Å; R52-E136 IonicContact CZ-OE1 3.52Å; R52-E136 IonicContact NE-OE1 3.35Å; R52-E136 PolarHBondContact NE-OE1 3.21Å; R52-E136 IonicContact NH2-OE1 2.8Å; R52-E136 PolarHBondContact NH2-OE1 3.36Å; R52-E136 IonicContact NH2-OE2 2.91Å; W87-E136 HydrophobicContact CH2-CG 3.9Å; W87-E136 VanDerWaalsContact CH2-OE2 3.29Å; W87-E136 WeakPolarHBondContact CH2-OE2 3.08Å; W87-E136 HydrophobicContact CZ3-CB 4.27Å; W87-E136 HydrophobicContact CZ3-CG 3.97Å; L88-E136 CarbonylContact C-O 3.2Å; L88-E136 WeakPolarHBondContact CA-O 3.2Å; A89-E136 PolarHBondContact N-O 3.41Å; A89-E136 PolarHBondContact O-N 3Å; Y91-E136 HydrophobicContact CE2-CB 4.08Å; C103-E136 PolarHBondContact N-OE1 3.25Å; N107-E136 PolarHBondContact ND2-OE2 3.12Å
137	F	89.7	Confident	80.4	Confident	3 Å²	3	33.3 Å²	33.3	1%	0.013	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	133.4	174.1	174.4	-111.2	0	0	0	110.1	W30 Y45 T49 S51 I75 W87 L88 C103 F148	W30-F137 AromaticContact CD1-CD1 3.41Å; W30-F137 VanDerWaalsContact CD1-CD1 3.41Å; W30-F137 AromaticContact CD1-CE1 3.5Å; W30-F137 AromaticContact CE2-CD1 4Å; W30-F137 HydrophobicContact CG-CD1 4.29Å; W30-F137 AromaticContact NE1-CD1 3.18Å; W30-F137 AromaticContact NE1-CE1 3.35Å; Y45-F137 HydrophobicContact CD1-CE1 4.49Å; Y45-F137 AromaticContact CD1-CZ 3.94Å; Y45-F137 HydrophobicContact CD1-CZ 3.94Å; Y45-F137 HydrophobicContact CD2-CE1 4.31Å; Y45-F137 HydrophobicContact CD2-CZ 4.03Å; Y45-F137 HydrophobicContact CE1-CZ 4.09Å; Y45-F137 HydrophobicContact CE2-CZ 4.2Å; Y45-F137 HydrophobicContact CG-CE1 4.12Å; Y45-F137 AromaticContact CG-CZ 3.91Å; Y45-F137 HydrophobicContact CG-CZ 3.91Å; T49-F137 HydrophobicContact CG2-CD1 3.98Å; T49-F137 HydrophobicContact CG2-CE1 3.97Å; S51-F137 PolarHBondContact N-O 2.99Å; S51-F137 PolarHBondContact O-N 3.31Å; I75-F137 HydrophobicContact CD1-CD2 4.04Å; I75-F137 HydrophobicContact CD1-CE2 3.87Å; I75-F137 HydrophobicContact CG1-CE2 3.95Å; I75-F137 HydrophobicContact CG2-CE2 3.87Å; W87-F137 WeakPolarHBondContact O-CA 3.36Å; W87-F137 WeakPolarHBondContact O-CD2 3.35Å; L88-F137 HydrophobicContact CB-CD2 4.45Å; L88-F137 HydrophobicContact CD1-CB 4.15Å; C103-F137 PolarHBondContact SG-O 3.26Å; F137-F148 HydrophobicContact CB-CE1 3.78Å; F137-F148 HydrophobicContact CB-CZ 3.84Å; F137-F148 HydrophobicContact CD1-CE1 4.05Å; F137-F148 HydrophobicContact CD2-CD1 4.2Å; F137-F148 AromaticContact CD2-CE1 3.51Å; F137-F148 HydrophobicContact CD2-CE1 3.51Å; F137-F148 HydrophobicContact CD2-CZ 4.38Å; F137-F148 HydrophobicContact CE2-CD1 4.43Å; F137-F148 HydrophobicContact CE2-CE1 4.08Å; F137-F148 AromaticContact CG-CE1 3.49Å; F137-F148 HydrophobicContact CG-CE1 3.49Å; F137-F148 VanDerWaalsContact CG-CE1 3.49Å; F137-F148 HydrophobicContact CG-CZ 4.08Å
138	C	87.8	Confident	80.7	Confident	5 Å²	5	32 Å²	32	3%	0.034	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	125.1	-178	-56.7	0	0	0	0	108.9	T49 D86 W87 C103	T49-C138 CarbonylContact O-C 3.56Å; T49-C138 WeakPolarHBondContact O-CA 3.39Å; D86-C138 CarbonylContact C-O 3.37Å; D86-C138 VanDerWaalsContact CA-O 3.3Å; D86-C138 WeakPolarHBondContact CA-O 3.24Å; W87-C138 HydrophobicContact CD2-CB 4.12Å; W87-C138 HydrophobicContact CG-CB 4.44Å; W87-C138 VanDerWaalsContact CH2-SG 3.6Å; W87-C138 HydrophobicContact CZ2-CB 3.8Å; W87-C138 WeakPolarHBondContact CZ2-SG 3.21Å; W87-C138 PolarHBondContact N-O 2.78Å; W87-C138 PolarHBondContact O-N 2.92Å; C103-C138 WeakPolarHBondContact CA-SG 3.1Å; C103-C138 HydrophobicContact CB-CB 3.81Å; C103-C138 WeakPolarHBondContact CB-SG 3.38Å; C103-C138 VanDerWaalsContact SG-CA 3.53Å; C103-C138 WeakPolarHBondContact SG-CB 3.24Å; C103-C138 CovalentContact SG-SG 2.02Å; C103-C138 PolarHBondContact SG-SG 2.9Å
139	S	86.3	Confident	80.5	Confident	7 Å²	7	32.3 Å²	32.3	5%	0.049	18%	0.179	C	C	.	.			trans	-110.8	157	166.2	63.3	0	0	0	0	112.1	E46 N48 T49 D86	E46-S139 PolarHBondContact O-OG 2.85Å; N48-S139 WeakPolarHBondContact CA-O 3.38Å; N48-S139 PolarHBondContact N-OG 2.84Å; T49-S139 WeakPolarHBondContact CB-OG 3.15Å; T49-S139 PolarHBondContact N-OG 3.42Å; T49-S139 PolarHBondContact O-N 2.94Å; D86-S139 WeakPolarHBondContact OD1-CA 3.39Å; D86-S139 WeakPolarHBondContact OD1-CB 3.32Å; D86-S139 WeakPolarHBondContact OD2-CB 3.35Å
140	D	81.1	Confident	80.6	Confident	40 Å²	40	29 Å²	29	21%	0.214	16%	0.157	C	C	.	.			trans	-90.9	-165.3	175.9	82.7	7.9	0	0	0	112	N48 N85 D86 V142	N48-D140 WeakPolarHBondContact CA-O 3.38Å; N48-D140 PolarHBondContact N-O 2.98Å; N85-D140 HydrophobicContact CB-CB 4.38Å; N85-D140 VanDerWaalsContact CB-OD2 3.28Å; N85-D140 WeakPolarHBondContact CB-OD2 3.37Å; N85-D140 VanDerWaalsContact CG-OD2 3.22Å; D86-D140 PolarHBondContact OD1-N 3.18Å; D140-V142 PolarHBondContact OD1-N 3.45Å
141	Q	76.1	Confident	80.7	Confident	140 Å²	140	31 Å²	31	65%	0.654	16%	0.159	S	C	*	.	S	Bend	trans	-90.6	6.9	-177.7	-58.7	-142.3	-32.5	0	0	114.7	L47 N48	L47-Q141 WeakPolarHBondContact CD1-O 3.42Å; N48-Q141 HydrophobicContact CB-CG 4.28Å
142	V	72.3	Confident	80.7	Confident	85 Å²	85	29.5 Å²	29.5	52%	0.515	15%	0.153	S	C	.	.	S	Bend	trans	-137.3	131.4	-170.1	-175.4	0	0	0	0	110.4	D140	D140-V142 PolarHBondContact OD1-N 3.45Å
143	I	65	Low	80.6	Confident	73 Å²	73	31.9 Å²	31.9	37%	0.374	16%	0.161	S	C	.	.			trans	66.7	128	178.8	-61.3	153.8	0	0	0	112.8	E76 Y78	E76-I143 HydrophobicContact CB-CG2 4.42Å; E76-I143 HydrophobicContact CG-CB 4.19Å; E76-I143 HydrophobicContact CG-CG2 3.84Å; Y78-I143 WeakPolarHBondContact OH-CD1 3.14Å
144	E	67.9	Low	80.3	Confident	76 Å²	76	32.1 Å²	32.1	36%	0.355	16%	0.163	S	C	.	.			trans	-111.3	148.7	174.8	-55.3	178.9	151	0	0	108.3	M44 Y45 L47	M44-E144 HydrophobicContact CB-CB 3.46Å; M44-E144 VanDerWaalsContact CB-CB 3.46Å; M44-E144 HydrophobicContact CG-CB 4.18Å; M44-E144 HydrophobicContact SD-CB 3.8Å; Y45-E144 VanDerWaalsContact O-CB 3.31Å; Y45-E144 WeakPolarHBondContact O-CB 3.27Å; Y45-E144 VanDerWaalsContact O-CG 3.24Å; Y45-E144 WeakPolarHBondContact O-CG 2.88Å; L47-E144 HydrophobicContact CD2-CG 3.42Å; L47-E144 VanDerWaalsContact CD2-CG 3.42Å; L47-E144 HydrophobicContact CG-CG 3.67Å; L47-E144 WeakPolarHBondContact CG-OE1 3.47Å; L47-E144 PolarHBondContact N-OE1 2.76Å
145	D	70.1	Confident	80.1	Confident	15 Å²	15	33.1 Å²	33.1	8%	0.08	17%	0.169	C	C	.	.			trans	-134.6	172.9	175.1	-164.5	7.8	0	0	0	109.9	M44 Y45 F74 N118 G147 R257	M44-D145 CarbonylContact C-O 3.58Å; M44-D145 WeakPolarHBondContact CA-O 3.27Å; M44-D145 WeakPolarHBondContact CB-O 3.38Å; Y45-D145 WeakPolarHBondContact CD1-O 3.46Å; Y45-D145 HydrophobicContact CE1-CB 3.63Å; Y45-D145 VanDerWaalsContact CE1-O 3.25Å; Y45-D145 WeakPolarHBondContact CE1-O 3.42Å; Y45-D145 PolarHBondContact N-O 2.58Å; F74-D145 VanDerWaalsContact C-CG 3.44Å; F74-D145 VanDerWaalsContact O-CB 3.23Å; F74-D145 WeakPolarHBondContact O-CB 3.22Å; N118-D145 PolarHBondContact ND2-OD2 3.29Å; D145-G147 PolarHBondContact O-N 2.72Å; D145-R257 IonicContact OD1-NH1 3.52Å; D145-R257 PolarHBondContact OD1-NH1 3.41Å; D145-R257 VanDerWaalsContact OD1-NH1 3.14Å; D145-R257 IonicContact OD2-CZ 3.72Å; D145-R257 IonicContact OD2-NH1 3.38Å; D145-R257 PolarHBondContact OD2-NH1 3.45Å; D145-R257 IonicContact OD2-NH2 3.76Å
146	A	73.7	Confident	79.7	Confident	22 Å²	22	38.6 Å²	38.6	18%	0.182	20%	0.198	C	C	.	.			trans	-66.9	-5.7	-172.2	0	0	0	0	0	114	R72 F74	R72-A146 PolarHBondContact NH2-O 3.11Å; F74-A146 HydrophobicContact CB-CB 3.8Å; F74-A146 HydrophobicContact CD2-CB 3.99Å; F74-A146 HydrophobicContact CG-CB 4.2Å
147	G	81.6	Confident	79.2	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	76.2	-152.8	-179.6	0	0	0	0	0	112.6	F74 D145	F74-G147 CarbonylContact C-O 3.5Å; F74-G147 VanDerWaalsContact CA-O 3.29Å; F74-G147 WeakPolarHBondContact CA-O 3.11Å; F74-G147 WeakPolarHBondContact CB-O 3.25Å; F74-G147 PolarHBondContact N-O 3.43Å; F74-G147 VanDerWaalsContact O-CA 3.28Å; F74-G147 WeakPolarHBondContact O-CA 3.3Å; F74-G147 PolarHBondContact O-N 2.97Å; D145-G147 PolarHBondContact O-N 2.72Å
148	F	80	Confident	78.6	Confident	5 Å²	5	45.8 Å²	45.8	2%	0.022	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	150.9	-171.6	59.4	-83.1	0	0	0	111.9	W30 R72 I73 I75 L88 F137 F150	W30-F148 HydrophobicContact CB-CD1 3.86Å; W30-F148 HydrophobicContact CB-CD2 4.24Å; W30-F148 HydrophobicContact CB-CE1 3.44Å; W30-F148 VanDerWaalsContact CB-CE1 3.44Å; W30-F148 HydrophobicContact CB-CE2 3.87Å; W30-F148 HydrophobicContact CB-CG 4.23Å; W30-F148 HydrophobicContact CB-CZ 3.44Å; W30-F148 VanDerWaalsContact CB-CZ 3.44Å; W30-F148 AromaticContact CD1-CE1 3.7Å; W30-F148 HydrophobicContact CD2-CZ 4.48Å; W30-F148 HydrophobicContact CG-CD1 4.39Å; W30-F148 AromaticContact CG-CE1 3.61Å; W30-F148 HydrophobicContact CG-CE1 3.61Å; W30-F148 AromaticContact CG-CZ 3.73Å; W30-F148 HydrophobicContact CG-CZ 3.73Å; W30-F148 PolarHBondContact N-O 3.4Å; W30-F148 PolarHBondContact O-N 3.42Å; R72-F148 CarbonylContact O-C 3.56Å; R72-F148 VanDerWaalsContact O-CA 3.28Å; R72-F148 WeakPolarHBondContact O-CA 2.95Å; R72-F148 WeakPolarHBondContact O-CB 3.21Å; I73-F148 HydrophobicContact CB-CB 4.48Å; I73-F148 HydrophobicContact CG1-CB 4.33Å; I75-F148 HydrophobicContact CD1-CB 4.33Å; I75-F148 HydrophobicContact CD1-CD1 3.58Å; I75-F148 HydrophobicContact CD1-CE1 4.24Å; I75-F148 HydrophobicContact CD1-CG 4.17Å; I75-F148 HydrophobicContact CG1-CB 4.47Å; I75-F148 HydrophobicContact CG1-CD1 3.94Å; L88-F148 HydrophobicContact CD1-CD2 4.39Å; L88-F148 HydrophobicContact CD1-CE1 4.05Å; L88-F148 HydrophobicContact CD1-CE2 3.73Å; L88-F148 HydrophobicContact CD1-CZ 3.55Å; L88-F148 HydrophobicContact CD2-CD1 4.44Å; L88-F148 HydrophobicContact CD2-CD2 3.88Å; L88-F148 HydrophobicContact CD2-CE2 4.06Å; L88-F148 HydrophobicContact CD2-CG 4.09Å; L88-F148 HydrophobicContact CD2-CZ 4.44Å; F137-F148 HydrophobicContact CB-CE1 3.78Å; F137-F148 HydrophobicContact CB-CZ 3.84Å; F137-F148 HydrophobicContact CD1-CE1 4.05Å; F137-F148 HydrophobicContact CD2-CD1 4.2Å; F137-F148 AromaticContact CD2-CE1 3.51Å; F137-F148 HydrophobicContact CD2-CE1 3.51Å; F137-F148 HydrophobicContact CD2-CZ 4.38Å; F137-F148 HydrophobicContact CE2-CD1 4.43Å; F137-F148 HydrophobicContact CE2-CE1 4.08Å; F137-F148 AromaticContact CG-CE1 3.49Å; F137-F148 HydrophobicContact CG-CE1 3.49Å; F137-F148 VanDerWaalsContact CG-CE1 3.49Å; F137-F148 HydrophobicContact CG-CZ 4.08Å; F148-F150 HydrophobicContact CD2-CD1 4.11Å; F148-F150 AromaticContact CE2-CD1 3.81Å; F148-F150 HydrophobicContact CE2-CD1 3.81Å; F148-F150 HydrophobicContact CE2-CE1 4.25Å
149	E	76.9	Confident	77.8	Confident	26 Å²	26	47 Å²	47	12%	0.121	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	133.7	167.5	-178.4	179.7	179.8	0	0	107.2	L28 Y29 F70 P71 R72 K151	L28-E149 WeakPolarHBondContact O-CA 3.36Å; Y29-E149 HydrophobicContact CD1-CB 4.2Å; Y29-E149 HydrophobicContact CD1-CG 3.79Å; Y29-E149 HydrophobicContact CE1-CB 4.38Å; Y29-E149 HydrophobicContact CE1-CG 3.57Å; Y29-E149 WeakPolarHBondContact CE1-OE1 3.44Å; Y29-E149 PolarHBondContact OH-OE1 3.15Å; F70-E149 WeakPolarHBondContact CA-O 3.24Å; P71-E149 HydrophobicContact CB-CG 4.45Å; P71-E149 VanDerWaalsContact CD-O 3.27Å; P71-E149 WeakPolarHBondContact CD-O 3.14Å; P71-E149 HydrophobicContact CG-CG 4.11Å; R72-E149 HydrophobicContact CB-CB 3.77Å; R72-E149 PolarHBondContact O-N 2.87Å; E149-K151 WeakPolarHBondContact OE1-CE 3.39Å; E149-K151 IonicContact OE1-NZ 3.6Å; E149-K151 PolarHBondContact OE1-NZ 3.17Å
150	F	81.5	Confident	77	Confident	6 Å²	6	52.3 Å²	52.3	3%	0.026	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	140.1	166.2	79.6	-91.1	0	0	0	110.5	L28 Y53 I68 T69 F70 I135 F148	L28-F150 HydrophobicContact CB-CD1 3.78Å; L28-F150 HydrophobicContact CB-CD2 4.46Å; L28-F150 HydrophobicContact CB-CE1 3.32Å; L28-F150 HydrophobicContact CB-CE2 4.05Å; L28-F150 HydrophobicContact CB-CG 4.35Å; L28-F150 HydrophobicContact CB-CZ 3.48Å; L28-F150 VanDerWaalsContact CB-CZ 3.48Å; L28-F150 HydrophobicContact CD1-CE2 4.11Å; L28-F150 HydrophobicContact CD1-CZ 3.88Å; L28-F150 HydrophobicContact CD2-CE1 3.84Å; L28-F150 HydrophobicContact CD2-CZ 3.61Å; L28-F150 HydrophobicContact CG-CE1 4.04Å; L28-F150 HydrophobicContact CG-CE2 4.44Å; L28-F150 HydrophobicContact CG-CZ 3.79Å; L28-F150 PolarHBondContact N-O 2.64Å; L28-F150 PolarHBondContact O-N 3.38Å; Y53-F150 HydrophobicContact CD1-CE2 4.5Å; Y53-F150 AromaticContact CD1-CZ 3.75Å; Y53-F150 HydrophobicContact CD1-CZ 3.75Å; Y53-F150 HydrophobicContact CE1-CE2 4.45Å; Y53-F150 AromaticContact CE1-CZ 3.98Å; Y53-F150 HydrophobicContact CE1-CZ 3.98Å; Y53-F150 HydrophobicContact CG-CZ 4.45Å; I68-F150 HydrophobicContact CG2-CD2 4.39Å; T69-F150 CarbonylContact O-C 3.54Å; T69-F150 VanDerWaalsContact O-CA 3.3Å; T69-F150 WeakPolarHBondContact O-CA 3.47Å; F70-F150 HydrophobicContact CD1-CB 3.53Å; F70-F150 HydrophobicContact CE1-CB 3.43Å; F70-F150 VanDerWaalsContact CE1-CB 3.43Å; F70-F150 HydrophobicContact CE1-CG 4.24Å; F70-F150 HydrophobicContact CG-CB 4.37Å; F70-F150 HydrophobicContact CZ-CB 4.23Å; I135-F150 HydrophobicContact CD1-CD1 4.45Å; I135-F150 HydrophobicContact CD1-CD2 3.96Å; I135-F150 HydrophobicContact CD1-CE1 3.96Å; I135-F150 HydrophobicContact CD1-CE2 3.43Å; I135-F150 VanDerWaalsContact CD1-CE2 3.43Å; I135-F150 HydrophobicContact CD1-CG 4.43Å; I135-F150 HydrophobicContact CD1-CZ 3.4Å; I135-F150 VanDerWaalsContact CD1-CZ 3.4Å; F148-F150 HydrophobicContact CD2-CD1 4.11Å; F148-F150 AromaticContact CE2-CD1 3.81Å; F148-F150 HydrophobicContact CE2-CD1 3.81Å; F148-F150 HydrophobicContact CE2-CE1 4.25Å
151	K	82.5	Confident	76.1	Confident	62 Å²	62	56.5 Å²	56.5	27%	0.27	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	140.6	174.8	-50.6	-174	177.4	-121.6	0	108.1	E26 D27 I68 T69 P71 E149	E26-K151 WeakPolarHBondContact O-CA 3.26Å; D27-K151 HydrophobicContact CB-CG 4.44Å; D27-K151 WeakPolarHBondContact OD1-CB 3.18Å; D27-K151 VanDerWaalsContact OD1-CD 3.29Å; D27-K151 WeakPolarHBondContact OD1-CD 3.47Å; D27-K151 WeakPolarHBondContact OD1-CG 3.21Å; D27-K151 IonicContact OD1-NZ 3.55Å; D27-K151 IonicContact OD2-NZ 3.59Å; D27-K151 PolarHBondContact OD2-NZ 3.31Å; I68-K151 WeakPolarHBondContact CA-O 3.43Å; T69-K151 PolarHBondContact N-O 2.86Å; T69-K151 PolarHBondContact O-N 3.28Å; T69-K151 PolarHBondContact OG1-O 2.84Å; P71-K151 HydrophobicContact CG-CD 3.84Å; P71-K151 HydrophobicContact CG-CG 3.8Å; E149-K151 WeakPolarHBondContact OE1-CE 3.39Å; E149-K151 IonicContact OE1-NZ 3.6Å; E149-K151 PolarHBondContact OE1-NZ 3.17Å
152	W	83.1	Confident	75	Confident	3 Å²	3	53.3 Å²	53.3	1%	0.011	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	149.2	171	76.6	-83.2	0	0	0	112.3	Y24 V25 E26 L55 F60 V66 V67 I68 T154	Y24-W152 AromaticContact CD1-CH2 3.25Å; Y24-W152 HydrophobicContact CD1-CH2 3.25Å; Y24-W152 AromaticContact CD1-CZ2 3.42Å; Y24-W152 HydrophobicContact CD1-CZ2 3.42Å; Y24-W152 VanDerWaalsContact CD1-CZ2 3.42Å; Y24-W152 AromaticContact CD1-CZ3 3.87Å; Y24-W152 HydrophobicContact CD1-CZ3 3.87Å; Y24-W152 AromaticContact CE1-CH2 3.57Å; Y24-W152 HydrophobicContact CE1-CH2 3.57Å; Y24-W152 AromaticContact CE1-CZ2 3.28Å; Y24-W152 HydrophobicContact CE1-CZ2 3.28Å; Y24-W152 HydrophobicContact CG-CH2 4.23Å; V25-W152 WeakPolarHBondContact CA-O 3.39Å; E26-W152 HydrophobicContact CB-CD2 4.48Å; E26-W152 HydrophobicContact CB-CG 4.42Å; E26-W152 HydrophobicContact CB-CZ2 4.32Å; E26-W152 PolarHBondContact N-O 2.8Å; E26-W152 PolarHBondContact O-N 3.36Å; E26-W152 PolarHBondContact OE2-NE1 3.36Å; L55-W152 HydrophobicContact CD1-CB 3.8Å; L55-W152 HydrophobicContact CD1-CD2 3.39Å; L55-W152 HydrophobicContact CD1-CE3 3.83Å; L55-W152 HydrophobicContact CD1-CG 3.4Å; L55-W152 HydrophobicContact CD1-CZ2 4.47Å; L55-W152 HydrophobicContact CD2-CD2 3.97Å; L55-W152 HydrophobicContact CD2-CE3 3.77Å; L55-W152 HydrophobicContact CD2-CH2 3.67Å; L55-W152 HydrophobicContact CD2-CZ2 3.88Å; L55-W152 HydrophobicContact CD2-CZ3 3.61Å; L55-W152 HydrophobicContact CG-CD2 3.63Å; L55-W152 HydrophobicContact CG-CE3 3.98Å; L55-W152 HydrophobicContact CG-CG 4.08Å; L55-W152 HydrophobicContact CG-CH2 4.09Å; L55-W152 HydrophobicContact CG-CZ2 3.76Å; L55-W152 HydrophobicContact CG-CZ3 4.2Å; F60-W152 HydrophobicContact CB-CH2 4.12Å; F60-W152 AromaticContact CD2-CH2 3.85Å; F60-W152 HydrophobicContact CD2-CH2 3.85Å; F60-W152 HydrophobicContact CD2-CZ2 4.45Å; F60-W152 HydrophobicContact CG-CH2 4.29Å; V66-W152 HydrophobicContact CG1-CE3 3.9Å; V67-W152 CarbonylContact O-C 3.59Å; V67-W152 WeakPolarHBondContact O-CA 3.4Å; V67-W152 WeakPolarHBondContact O-CB 3.35Å; I68-W152 HydrophobicContact CG1-CB 4Å; W152-T154 HydrophobicContact CZ3-CG2 3.84Å
153	K	83.4	Confident	74	Confident	86 Å²	86	54.8 Å²	54.8	37%	0.374	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	161.1	176.7	66.8	177.1	-175.7	173.7	0	113.4	Y24 V25 V67 V155	Y24-K153 CarbonylContact O-C 3.58Å; Y24-K153 WeakPolarHBondContact O-CA 3.38Å; Y24-K153 WeakPolarHBondContact O-CB 3.45Å; V25-K153 HydrophobicContact CG2-CB 4.07Å; V67-K153 HydrophobicContact CB-CG 4.08Å; V67-K153 PolarHBondContact N-O 3.04Å; V67-K153 PolarHBondContact O-N 3.27Å; K153-V155 HydrophobicContact CD-CG1 4.38Å; K153-V155 HydrophobicContact CG-CG1 4.29Å
154	T	81.8	Confident	73.4	Confident	5 Å²	5	57 Å²	57	3%	0.031	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	130.2	174.5	63.4	0	0	0	0	111.5	Y24 F60 A61 Y65 W152	Y24-T154 PolarHBondContact N-OG1 3.02Å; Y24-T154 VanDerWaalsContact N-OG1 3.08Å; Y24-T154 PolarHBondContact O-N 2.61Å; Y24-T154 VanDerWaalsContact O-N 3.07Å; F60-T154 HydrophobicContact CB-CG2 4.34Å; A61-T154 HydrophobicContact CB-CG2 3.71Å; Y65-T154 CarbonylContact O-C 3.46Å; Y65-T154 VanDerWaalsContact O-CA 3.28Å; Y65-T154 WeakPolarHBondContact O-CA 3.32Å; W152-T154 HydrophobicContact CZ3-CG2 3.84Å
155	V	83.1	Confident	72.7	Confident	32 Å²	32	58.8 Å²	58.8	19%	0.194	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	150.3	176.8	-59.4	0	0	0	0	110.9	K64 Y65 V67 K153 S157	K64-V155 WeakPolarHBondContact CB-O 3.46Å; Y65-V155 PolarHBondContact N-O 2.79Å; Y65-V155 PolarHBondContact O-N 3.02Å; V67-V155 HydrophobicContact CG2-CB 4.36Å; V67-V155 HydrophobicContact CG2-CG1 3.86Å; V67-V155 HydrophobicContact CG2-CG2 3.53Å; K153-V155 HydrophobicContact CD-CG1 4.38Å; K153-V155 HydrophobicContact CG-CG1 4.29Å; V155-S157 WeakPolarHBondContact CG2-O 3.18Å
156	L	80.5	Confident	71.8	Confident	120 Å²	120	67.1 Å²	67.1	63%	0.628	39%	0.389	S	S	*	.	S	Bend	trans	-74.9	-27.6	-175.9	-67.4	175.1	0	0	0	113.8	A21 K64	A21-L156 HydrophobicContact CB-CD1 4.14Å; A21-L156 HydrophobicContact CB-CD2 3.97Å; A21-L156 HydrophobicContact CB-CG 4.43Å; K64-L156 HydrophobicContact CD-CD2 4.19Å; K64-L156 HydrophobicContact CG-CD2 4.08Å
157	S	79.7	Confident	71	Confident	79 Å²	79	69.4 Å²	69.4	55%	0.552	40%	0.402	S	S	*	.	S	Bend	trans	-123.1	151.6	-176.9	51.7	0	0	0	0	111.1	Y65 V155	Y65-S157 VanDerWaalsContact CD2-C 3.43Å; V155-S157 WeakPolarHBondContact CG2-O 3.18Å
158	P	76.4	Confident	70.3	Confident	75 Å²	75	78.2 Å²	78.2	49%	0.487	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-58.9	134.8	176.6	19.9	-24.1	0	0	0	109.1	Y65	Y65-P158 HydrophobicContact CD1-CB 3.94Å; Y65-P158 HydrophobicContact CE1-CB 3.59Å; Y65-P158 HydrophobicContact CE1-CG 4.14Å; Y65-P158 HydrophobicContact CE2-CB 4.28Å; Y65-P158 HydrophobicContact CE2-CG 4.21Å; Y65-P158 HydrophobicContact CG-CB 4.42Å
159	P	70.3	Confident	70.1	Confident	31 Å²	31	79.9 Å²	79.9	20%	0.201	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-63.8	146.3	177.1	26.6	-33	0	0	0	110	V67 L125	V67-P159 HydrophobicContact CG2-CB 4.46Å; V67-P159 HydrophobicContact CG2-CG 4.19Å; L125-P159 HydrophobicContact CD1-CB 4.36Å; L125-P159 HydrophobicContact CD2-CB 3.39Å; L125-P159 HydrophobicContact CD2-CG 3.38Å
160	P	70.6	Confident	70.4	Confident	117 Å²	117	82.1 Å²	82.1	76%	0.76	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-59.8	144.2	176.3	24.7	-32.2	0	0	0	110.4
161	T	61.1	Low	70.5	Confident	129 Å²	129	83.5 Å²	83.5	79%	0.791	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-51.6	126.9	176.3	-38	0	0	0	0	109.2	T163	T161-T163 PolarHBondContact O-N 3.26Å
162	P	54.2	Low	70.4	Confident	72 Å²	72	81.2 Å²	81.2	47%	0.468	46%	0.464	S	S	.	.			trans	-64.1	102.4	-179.4	22.7	-30.4	0	0	0	109.3
163	T	49.8	Very low	69.8	Low	117 Å²	117	88 Å²	88	72%	0.718	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-65.7	135.8	159.7	45.7	0	0	0	0	107.5	T161 P165	T161-T163 PolarHBondContact O-N 3.26Å; T163-P165 VanDerWaalsContact O-N 3.14Å
164	P	52.8	Low	69.5	Low	119 Å²	119	90.9 Å²	90.9	77%	0.773	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-48.6	125.8	174.6	-23.1	29.9	0	0	0	109	K166	P164-K166 PolarHBondContact O-N 2.68Å
165	P	53.6	Low	69.7	Low	114 Å²	114	93.5 Å²	93.5	74%	0.74	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-59.3	116.9	-178.2	21.3	-30	0	0	0	108	T163	T163-P165 VanDerWaalsContact O-N 3.14Å
166	K	51.9	Low	69.9	Low	190 Å²	190	94.4 Å²	94.4	83%	0.826	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-54.9	131.5	171.7	-166.1	175	-175.1	177.8	0	106.9	P164 K168	P164-K166 PolarHBondContact O-N 2.68Å; K166-K168 PolarHBondContact O-N 3.14Å
167	P	56.1	Low	70.3	Confident	70 Å²	70	91.7 Å²	91.7	46%	0.455	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-51.4	122.3	-179	-26	32.1	0	0	0	109.8	F169 V171	P167-F169 WeakPolarHBondContact CB-O 3.07Å; P167-F169 PolarHBondContact O-N 2.97Å; P167-F169 VanDerWaalsContact O-N 3.12Å; P167-V171 HydrophobicContact CB-CG2 3.59Å; P167-V171 HydrophobicContact CG-CG2 3.77Å
168	K	66.8	Low	70.9	Confident	184 Å²	184	91.9 Å²	91.9	80%	0.8	52%	0.524	S	S	*	.	S	Bend	trans	-58.8	-25.5	-179.3	-170.6	177.5	176.4	-178.8	0	111.6	K166	K166-K168 PolarHBondContact O-N 3.14Å
169	F	76.8	Confident	71.5	Confident	40 Å²	40	89.5 Å²	89.5	18%	0.175	51%	0.506	C	S	.	.	S	Bend	trans	-126.1	154.8	-177.2	-51	-56.6	0	0	0	111.6	P167 V171 E186 V188 L290	P167-F169 WeakPolarHBondContact CB-O 3.07Å; P167-F169 PolarHBondContact O-N 2.97Å; P167-F169 VanDerWaalsContact O-N 3.12Å; F169-V171 PolarHBondContact O-N 3.02Å; F169-E186 HydrophobicContact CD1-CB 3.87Å; F169-E186 HydrophobicContact CE1-CB 4.19Å; F169-E186 WeakPolarHBondContact CE1-OE2 3.49Å; F169-E186 HydrophobicContact CG-CB 4.08Å; F169-E186 WeakPolarHBondContact CZ-OE2 3.39Å; F169-V188 HydrophobicContact CB-CG2 4.13Å; F169-V188 HydrophobicContact CD2-CG2 4.16Å; F169-L290 HydrophobicContact CD2-CD1 3.82Å; F169-L290 HydrophobicContact CE2-CD1 4.09Å
170	P	83.5	Confident	72.5	Confident	73 Å²	73	92.9 Å²	92.9	47%	0.474	53%	0.526	S	S	.	.			trans	-56	125.9	172.9	-23.2	33.4	0	0	0	111.5	R187 V188	P170-R187 WeakPolarHBondContact O-CA 3.09Å; P170-V188 PolarHBondContact O-N 2.91Å; P170-V188 VanDerWaalsContact O-N 3.11Å
171	V	82.1	Confident	73.4	Confident	36 Å²	36	87.5 Å²	87.5	22%	0.218	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	130.4	177.1	179.1	0	0	0	0	109.8	P167 F169 K173 V188 Y190	P167-V171 HydrophobicContact CB-CG2 3.59Å; P167-V171 HydrophobicContact CG-CG2 3.77Å; F169-V171 PolarHBondContact O-N 3.02Å; V171-K173 HydrophobicContact CB-CG 4.29Å; V171-K173 HydrophobicContact CG1-CG 3.57Å; V171-K173 PolarHBondContact O-N 2.83Å; V171-V188 WeakPolarHBondContact CA-O 3.44Å; V171-Y190 HydrophobicContact CB-CE2 4.13Å; V171-Y190 HydrophobicContact CG1-CD2 3.36Å; V171-Y190 HydrophobicContact CG1-CE2 3.31Å; V171-Y190 HydrophobicContact CG2-CE2 3.67Å
172	I	80.7	Confident	74.6	Confident	14 Å²	14	82.4 Å²	82.4	7%	0.072	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	97.2	168.9	-60.1	153	0	0	0	106.9	D177 F179 R187 V188 I189	I172-D177 HydrophobicContact CG2-CB 4.49Å; I172-F179 HydrophobicContact CD1-CD1 4.21Å; I172-F179 HydrophobicContact CD1-CD2 4.33Å; I172-F179 HydrophobicContact CD1-CE1 3.56Å; I172-F179 HydrophobicContact CD1-CE2 3.68Å; I172-F179 HydrophobicContact CD1-CZ 3.22Å; I172-F179 HydrophobicContact CG1-CE1 4.29Å; I172-F179 HydrophobicContact CG1-CZ 4.36Å; I172-F179 HydrophobicContact CG2-CD1 4.5Å; I172-F179 HydrophobicContact CG2-CE1 4.15Å; I172-R187 HydrophobicContact CD1-CB 3.7Å; I172-R187 HydrophobicContact CD1-CG 4.35Å; I172-R187 HydrophobicContact CG1-CB 4.28Å; I172-V188 PolarHBondContact N-O 3.36Å; I172-I189 HydrophobicContact CB-CG1 4.06Å; I172-I189 HydrophobicContact CD1-CD1 4.11Å; I172-I189 HydrophobicContact CD1-CG1 3.58Å; I172-I189 HydrophobicContact CG1-CG1 4.44Å; I172-I189 HydrophobicContact CG2-CG1 4.49Å
173	K	69.6	Low	76.1	Confident	144 Å²	144	81.7 Å²	81.7	63%	0.626	46%	0.459	S	S	*	.			trans	-85.5	-30.2	-176.1	-71.6	-160.9	169.9	-146.7	0	113.8	V171 E195	V171-K173 HydrophobicContact CB-CG 4.29Å; V171-K173 HydrophobicContact CG1-CG 3.57Å; V171-K173 PolarHBondContact O-N 2.83Å; K173-E195 IonicContact NZ-OE1 2.78Å; K173-E195 PolarHBondContact NZ-OE1 3.42Å; K173-E195 IonicContact NZ-OE2 3.81Å
174	K	77.2	Confident	77.9	Confident	147 Å²	147	81.4 Å²	81.4	64%	0.639	45%	0.453	S	S	*	.	S	Bend	trans	-88.1	130.7	-173.4	-69.6	-174.8	-179.3	-175.4	0	111.3	D177 W207	K174-D177 WeakPolarHBondContact CB-OD1 3.37Å; K174-D177 WeakPolarHBondContact CB-OD2 3.39Å; K174-W207 PolarHBondContact O-NE1 2.51Å
175	C	88	Confident	79.8	Confident	61 Å²	61	79.2 Å²	79.2	41%	0.412	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	136.9	167.7	-174.4	0	0	0	0	110.4	C205	C175-C205 WeakPolarHBondContact CA-SG 3.46Å; C175-C205 HydrophobicContact CB-CB 4.3Å; C175-C205 WeakPolarHBondContact CB-SG 3.47Å; C175-C205 WeakPolarHBondContact SG-CA 3.37Å; C175-C205 WeakPolarHBondContact SG-CB 3.42Å; C175-C205 CovalentContact SG-SG 2.02Å; C175-C205 PolarHBondContact SG-SG 2.74Å
176	G	87.2	Confident	81.6	Confident	50 Å²	50	76.6 Å²	76.6	52%	0.515	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.7	-3.7	-179.9	0	0	0	0	0	115.1	K206	G176-K206 CarbonylContact C-O 3.54Å; G176-K206 WeakPolarHBondContact CA-O 3.38Å; G176-K206 PolarHBondContact N-O 3.34Å
177	D	88.6	Confident	83.5	Confident	63 Å²	63	70.8 Å²	70.8	34%	0.337	38%	0.383	S	S	.	.			trans	-69	145.6	-173.9	-83.4	-0.5	0	0	0	113	I172 K174 T208	I172-D177 HydrophobicContact CG2-CB 4.49Å; K174-D177 WeakPolarHBondContact CB-OD1 3.37Å; K174-D177 WeakPolarHBondContact CB-OD2 3.39Å; D177-T208 PolarHBondContact O-N 3.36Å
178	T	91.7	Very high	85.2	Confident	84 Å²	84	67.6 Å²	67.6	52%	0.515	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	128.9	165.5	-60	0	0	0	0	109.4	T208 K210	T178-T208 CarbonylContact C-O 3.52Å; T178-T208 VanDerWaalsContact CA-O 3.25Å; T178-T208 WeakPolarHBondContact CA-O 3.25Å; T178-T208 HydrophobicContact CG2-CG2 4.14Å; T178-K210 HydrophobicContact CG2-CD 4.34Å; T178-K210 HydrophobicContact CG2-CG 4.43Å
179	F	89.4	Confident	86.4	Confident	25 Å²	25	58.9 Å²	58.9	11%	0.11	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	152.9	-179.9	53.1	-87.6	0	0	0	112	I172 M181 I189 W207 T208 I209 K210 L291	I172-F179 HydrophobicContact CD1-CD1 4.21Å; I172-F179 HydrophobicContact CD1-CD2 4.33Å; I172-F179 HydrophobicContact CD1-CE1 3.56Å; I172-F179 HydrophobicContact CD1-CE2 3.68Å; I172-F179 HydrophobicContact CD1-CZ 3.22Å; I172-F179 HydrophobicContact CG1-CE1 4.29Å; I172-F179 HydrophobicContact CG1-CZ 4.36Å; I172-F179 HydrophobicContact CG2-CD1 4.5Å; I172-F179 HydrophobicContact CG2-CE1 4.15Å; F179-M181 HydrophobicContact CD2-CG 3.86Å; F179-M181 HydrophobicContact CD2-SD 4.37Å; F179-M181 HydrophobicContact CE2-CG 4Å; F179-M181 HydrophobicContact CE2-SD 3.9Å; F179-I189 HydrophobicContact CZ-CD1 4.23Å; F179-W207 HydrophobicContact CE1-CB 4.22Å; F179-T208 PolarHBondContact N-O 3.03Å; F179-I209 HydrophobicContact CD2-CB 4.41Å; F179-I209 HydrophobicContact CD2-CG1 4.09Å; F179-I209 HydrophobicContact CD2-CG2 4Å; F179-I209 HydrophobicContact CE1-CG1 3.85Å; F179-I209 HydrophobicContact CE2-CB 3.9Å; F179-I209 HydrophobicContact CE2-CD1 4.47Å; F179-I209 HydrophobicContact CE2-CG1 3.21Å; F179-I209 HydrophobicContact CE2-CG2 3.63Å; F179-I209 HydrophobicContact CZ-CB 4.2Å; F179-I209 HydrophobicContact CZ-CD1 3.97Å; F179-I209 HydrophobicContact CZ-CG1 3.07Å; F179-I209 HydrophobicContact CZ-CG2 4.4Å; F179-I209 CarbonylContact O-C 3.53Å; F179-I209 WeakPolarHBondContact O-CA 3.26Å; F179-K210 PolarHBondContact O-N 2.99Å; F179-L291 HydrophobicContact CE2-CD2 4.05Å; F179-L291 HydrophobicContact CZ-CD2 3.88Å
180	V	90.4	Very high	87.1	Confident	102 Å²	102	59 Å²	59	62%	0.618	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.3	129.6	175	-176.5	0	0	0	0	107.9	K210	V180-K210 VanDerWaalsContact CA-O 3.31Å; V180-K210 WeakPolarHBondContact CA-O 3.26Å; V180-K210 HydrophobicContact CG2-CB 4.25Å
181	M	90.4	Very high	87.5	Confident	3 Å²	3	55.7 Å²	55.7	2%	0.015	30%	0.303	C	S	.	.			trans	-106.9	115.8	170.4	-68.4	-170.6	70.5	0	0	109.8	F179 Q185 R187 I209 K210 L291 T293	F179-M181 HydrophobicContact CD2-CG 3.86Å; F179-M181 HydrophobicContact CD2-SD 4.37Å; F179-M181 HydrophobicContact CE2-CG 4Å; F179-M181 HydrophobicContact CE2-SD 3.9Å; M181-Q185 HydrophobicContact CE-CB 3.9Å; M181-Q185 VanDerWaalsContact CE-O 3.24Å; M181-Q185 WeakPolarHBondContact CE-O 3.31Å; M181-R187 HydrophobicContact CE-CB 4.4Å; M181-R187 HydrophobicContact CE-CG 4.13Å; M181-I209 HydrophobicContact CB-CG2 4.31Å; M181-I209 HydrophobicContact CG-CG2 3.91Å; M181-I209 HydrophobicContact SD-CG2 4Å; M181-K210 PolarHBondContact N-O 2.89Å; M181-L291 HydrophobicContact CE-CB 4.38Å; M181-L291 HydrophobicContact SD-CB 4.12Å; M181-L291 HydrophobicContact SD-CD2 4.37Å; M181-T293 HydrophobicContact CB-CG2 3.61Å; M181-T293 HydrophobicContact CE-CG2 4.04Å; M181-T293 HydrophobicContact SD-CG2 4.27Å
182	G	86.1	Confident	87.9	Confident	23 Å²	23	55.6 Å²	55.6	24%	0.237	30%	0.303	C	S	.	.			trans	-69.8	176.7	166.4	0	0	0	0	0	111.1	T293	G182-T293 WeakPolarHBondContact O-CB 3.45Å; G182-T293 PolarHBondContact O-OG1 2.82Å
183	P	85.3	Confident	88.1	Confident	56 Å²	56	55.7 Å²	55.7	36%	0.364	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	149.6	177	28	-34.4	0	0	0	112.2	Q185 T214 F295	P183-Q185 PolarHBondContact O-N 3.16Å; P183-T214 HydrophobicContact CB-CG2 3.78Å; P183-F295 HydrophobicContact CB-CD1 4.09Å; P183-F295 HydrophobicContact CB-CD2 3.9Å; P183-F295 HydrophobicContact CB-CE1 3.69Å; P183-F295 HydrophobicContact CB-CE2 3.49Å; P183-F295 VanDerWaalsContact CB-CE2 3.49Å; P183-F295 HydrophobicContact CB-CG 4.19Å; P183-F295 HydrophobicContact CB-CZ 3.39Å; P183-F295 HydrophobicContact CG-CE1 3.87Å; P183-F295 HydrophobicContact CG-CE2 3.79Å; P183-F295 HydrophobicContact CG-CZ 3.34Å
184	N	88.6	Confident	88.8	Confident	111 Å²	111	51.2 Å²	51.2	59%	0.594	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	36.1	177.4	-56.8	-25	0	0	0	113.3	T293	N184-T293 WeakPolarHBondContact CA-O 3.38Å; N184-T293 PolarHBondContact N-O 2.9Å; N184-T293 PolarHBondContact N-OG1 3.07Å
185	Q	91.6	Very high	88.8	Confident	73 Å²	73	50.4 Å²	50.4	34%	0.341	29%	0.287	S	S	.	.			trans	-105.4	149.1	175	-69.9	-170.6	-21.2	0	0	110.3	M181 P183 R292 T293	M181-Q185 HydrophobicContact CE-CB 3.9Å; M181-Q185 VanDerWaalsContact CE-O 3.24Å; M181-Q185 WeakPolarHBondContact CE-O 3.31Å; P183-Q185 PolarHBondContact O-N 3.16Å; Q185-R292 CarbonylContact O-C 3.58Å; Q185-R292 WeakPolarHBondContact O-CA 3.4Å; Q185-T293 PolarHBondContact N-OG1 2.92Å; Q185-T293 PolarHBondContact O-N 2.84Å; Q185-T293 PolarHBondContact O-OG1 2.94Å
186	E	92.2	Very high	88.3	Confident	59 Å²	59	54.1 Å²	54.1	28%	0.276	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	137.3	179.1	-57.4	-176.5	141.1	0	0	109.1	F169 L291 R292	F169-E186 HydrophobicContact CD1-CB 3.87Å; F169-E186 HydrophobicContact CE1-CB 4.19Å; F169-E186 WeakPolarHBondContact CE1-OE2 3.49Å; F169-E186 HydrophobicContact CG-CB 4.08Å; F169-E186 WeakPolarHBondContact CZ-OE2 3.39Å; E186-L291 CarbonylContact C-O 3.03Å; E186-L291 VanDerWaalsContact CA-O 3.26Å; E186-L291 WeakPolarHBondContact CA-O 3.43Å; E186-R292 HydrophobicContact CG-CB 4.32Å; E186-R292 HydrophobicContact CG-CG 4.03Å; E186-R292 IonicContact OE1-CZ 2.72Å; E186-R292 IonicContact OE1-NE 3.73Å; E186-R292 IonicContact OE1-NH1 3.26Å; E186-R292 PolarHBondContact OE1-NH1 2.93Å
187	R	92.1	Very high	87.4	Confident	68 Å²	68	53.1 Å²	53.1	26%	0.257	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	154.3	176.3	-65.7	-167.4	-174	-83.5	0.5	110.2	P170 I172 M181 L291	P170-R187 WeakPolarHBondContact O-CA 3.09Å; I172-R187 HydrophobicContact CD1-CB 3.7Å; I172-R187 HydrophobicContact CD1-CG 4.35Å; I172-R187 HydrophobicContact CG1-CB 4.28Å; M181-R187 HydrophobicContact CE-CB 4.4Å; M181-R187 HydrophobicContact CE-CG 4.13Å; R187-L291 PolarHBondContact N-O 3.21Å; R187-L291 PolarHBondContact O-N 1.98Å
188	V	91.6	Very high	86.7	Confident	4 Å²	4	54.7 Å²	54.7	2%	0.024	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	133.1	177.4	178.9	0	0	0	0	109.6	F169 P170 V171 I172 Y190 K288 L289 L290	F169-V188 HydrophobicContact CB-CG2 4.13Å; F169-V188 HydrophobicContact CD2-CG2 4.16Å; P170-V188 PolarHBondContact O-N 2.91Å; P170-V188 VanDerWaalsContact O-N 3.11Å; V171-V188 WeakPolarHBondContact CA-O 3.44Å; I172-V188 PolarHBondContact N-O 3.36Å; V188-Y190 HydrophobicContact CG1-CD1 4.46Å; V188-Y190 HydrophobicContact CG1-CD2 4.38Å; V188-Y190 HydrophobicContact CG1-CE1 4Å; V188-Y190 HydrophobicContact CG1-CE2 3.88Å; V188-K288 HydrophobicContact CG1-CG 3.82Å; V188-L289 CarbonylContact C-O 3.6Å; V188-L289 VanDerWaalsContact CA-O 3.3Å; V188-L289 WeakPolarHBondContact CA-O 3.5Å; V188-L290 HydrophobicContact CG2-CD1 3.87Å
189	I	92.3	Very high	86.5	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	134.5	169.4	-63.7	177.9	0	0	0	107.8	I172 F179 W207 I274 F287 K288 L289 L291	I172-I189 HydrophobicContact CB-CG1 4.06Å; I172-I189 HydrophobicContact CD1-CD1 4.11Å; I172-I189 HydrophobicContact CD1-CG1 3.58Å; I172-I189 HydrophobicContact CG1-CG1 4.44Å; I172-I189 HydrophobicContact CG2-CG1 4.49Å; F179-I189 HydrophobicContact CZ-CD1 4.23Å; I189-W207 HydrophobicContact CD1-CB 4.11Å; I189-W207 HydrophobicContact CD1-CD2 4.18Å; I189-W207 HydrophobicContact CD1-CG 3.96Å; I189-W207 HydrophobicContact CG2-CD2 3.96Å; I189-W207 HydrophobicContact CG2-CE3 4.17Å; I189-W207 HydrophobicContact CG2-CH2 3.81Å; I189-W207 HydrophobicContact CG2-CZ2 3.59Å; I189-W207 HydrophobicContact CG2-CZ3 4.11Å; I189-I274 HydrophobicContact CD1-CD1 4.06Å; I189-F287 HydrophobicContact CG2-CE2 4.19Å; I189-K288 WeakPolarHBondContact O-CA 3.36Å; I189-L289 HydrophobicContact CB-CB 4.38Å; I189-L289 PolarHBondContact N-O 3.3Å; I189-L289 PolarHBondContact O-N 3.33Å; I189-L291 HydrophobicContact CB-CD1 4.29Å; I189-L291 HydrophobicContact CD1-CD1 3.72Å; I189-L291 HydrophobicContact CD1-CD2 3.84Å; I189-L291 HydrophobicContact CD1-CG 4.47Å; I189-L291 HydrophobicContact CG1-CD1 3.8Å; I189-L291 HydrophobicContact CG1-CD2 4.47Å
190	Y	90.3	Very high	86.5	Confident	43 Å²	43	52.4 Å²	52.4	17%	0.169	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	150	168.1	-61.4	-75.4	0	0	0	109.8	V171 V188 F194 F287 K288	V171-Y190 HydrophobicContact CB-CE2 4.13Å; V171-Y190 HydrophobicContact CG1-CD2 3.36Å; V171-Y190 HydrophobicContact CG1-CE2 3.31Å; V171-Y190 HydrophobicContact CG2-CE2 3.67Å; V188-Y190 HydrophobicContact CG1-CD1 4.46Å; V188-Y190 HydrophobicContact CG1-CD2 4.38Å; V188-Y190 HydrophobicContact CG1-CE1 4Å; V188-Y190 HydrophobicContact CG1-CE2 3.88Å; Y190-F194 HydrophobicContact CD1-CB 4.24Å; Y190-F194 AromaticContact CD1-CD1 3.23Å; Y190-F194 HydrophobicContact CD1-CD1 3.23Å; Y190-F194 HydrophobicContact CD1-CD2 4.4Å; Y190-F194 AromaticContact CD1-CE1 3.6Å; Y190-F194 HydrophobicContact CD1-CE1 3.6Å; Y190-F194 AromaticContact CD1-CG 3.69Å; Y190-F194 HydrophobicContact CD1-CG 3.69Å; Y190-F194 HydrophobicContact CD1-CZ 4.33Å; Y190-F194 AromaticContact CE1-CD1 3.71Å; Y190-F194 HydrophobicContact CE1-CD1 3.71Å; Y190-F194 AromaticContact CE1-CE1 3.7Å; Y190-F194 HydrophobicContact CE1-CE1 3.7Å; Y190-F194 HydrophobicContact CG-CB 4.32Å; Y190-F194 HydrophobicContact CG-CD1 4.05Å; Y190-F194 HydrophobicContact CG-CG 4.26Å; Y190-F287 CarbonylContact C-O 3.57Å; Y190-F287 WeakPolarHBondContact CA-O 3.35Å; Y190-K288 HydrophobicContact CD1-CB 4.01Å; Y190-K288 HydrophobicContact CD1-CD 4.45Å; Y190-K288 HydrophobicContact CD1-CG 3.87Å; Y190-K288 HydrophobicContact CE1-CB 4.04Å; Y190-K288 HydrophobicContact CE1-CD 3.65Å; Y190-K288 HydrophobicContact CE1-CG 3.46Å; Y190-K288 VanDerWaalsContact CE1-CG 3.46Å
191	S	91.6	Very high	86.4	Confident	4 Å²	4	50.1 Å²	50.1	3%	0.028	27%	0.272	C	S	.	.			trans	-57.8	146.9	161.7	50.6	0	0	0	0	109.8	G193 F194 G286 F287	S191-G193 PolarHBondContact O-N 2.76Å; S191-F194 VanDerWaalsContact O-CB 3.31Å; S191-F194 WeakPolarHBondContact O-CB 3.28Å; S191-F194 PolarHBondContact O-N 2.87Å; S191-F194 VanDerWaalsContact O-N 3.14Å; S191-G286 WeakPolarHBondContact OG-CA 3.29Å; S191-F287 PolarHBondContact N-O 2.79Å; S191-F287 PolarHBondContact OG-N 2.78Å
192	P	91.2	Very high	86.4	Confident	34 Å²	34	55.4 Å²	55.4	22%	0.221	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	136.1	167.2	-25.6	38	0	0	0	108.9	Y199 P200 V203 C205	P192-Y199 WeakPolarHBondContact O-CA 3.12Å; P192-Y199 WeakPolarHBondContact O-CB 3.29Å; P192-P200 HydrophobicContact CB-CG 4.4Å; P192-P200 VanDerWaalsContact O-CD 3.25Å; P192-P200 WeakPolarHBondContact O-CD 3.45Å; P192-V203 HydrophobicContact CB-CG1 4.46Å; P192-V203 HydrophobicContact CG-CG1 3.91Å; P192-C205 HydrophobicContact CG-CB 4.34Å
193	G	85.1	Confident	86.8	Confident	15 Å²	15	55.3 Å²	55.3	16%	0.155	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.1	-6.3	-178.2	0	0	0	0	0	116.1	S191 E195 Q196 G197 M198	S191-G193 PolarHBondContact O-N 2.76Å; G193-E195 VanDerWaalsContact C-N 3.34Å; G193-E195 PolarHBondContact O-N 2.83Å; G193-Q196 CarbonylContact O-C 3.54Å; G193-Q196 WeakPolarHBondContact O-CA 3.35Å; G193-Q196 VanDerWaalsContact O-CB 3.28Å; G193-Q196 WeakPolarHBondContact O-CB 3.49Å; G193-Q196 PolarHBondContact O-N 3Å; G193-Q196 PolarHBondContact O-OE1 2.67Å; G193-G197 PolarHBondContact O-N 3.22Å; G193-M198 CarbonylContact C-O 3.53Å; G193-M198 VanDerWaalsContact CA-O 3.26Å; G193-M198 WeakPolarHBondContact CA-O 3.44Å; G193-M198 VanDerWaalsContact O-O 3.08Å
194	F	84.2	Confident	87.2	Confident	51 Å²	51	61.4 Å²	61.4	22%	0.224	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-56.5	-42.4	-173.5	-170.1	-95.6	0	0	0	114.2	Y190 S191 Q196 G197 H222 S285 F287 K288	Y190-F194 HydrophobicContact CD1-CB 4.24Å; Y190-F194 AromaticContact CD1-CD1 3.23Å; Y190-F194 HydrophobicContact CD1-CD1 3.23Å; Y190-F194 HydrophobicContact CD1-CD2 4.4Å; Y190-F194 AromaticContact CD1-CE1 3.6Å; Y190-F194 HydrophobicContact CD1-CE1 3.6Å; Y190-F194 AromaticContact CD1-CG 3.69Å; Y190-F194 HydrophobicContact CD1-CG 3.69Å; Y190-F194 HydrophobicContact CD1-CZ 4.33Å; Y190-F194 AromaticContact CE1-CD1 3.71Å; Y190-F194 HydrophobicContact CE1-CD1 3.71Å; Y190-F194 AromaticContact CE1-CE1 3.7Å; Y190-F194 HydrophobicContact CE1-CE1 3.7Å; Y190-F194 HydrophobicContact CG-CB 4.32Å; Y190-F194 HydrophobicContact CG-CD1 4.05Å; Y190-F194 HydrophobicContact CG-CG 4.26Å; S191-F194 VanDerWaalsContact O-CB 3.31Å; S191-F194 WeakPolarHBondContact O-CB 3.28Å; S191-F194 PolarHBondContact O-N 2.87Å; S191-F194 VanDerWaalsContact O-N 3.14Å; F194-Q196 PolarHBondContact O-N 3.24Å; F194-G197 PolarHBondContact O-N 3.35Å; F194-H222 HydrophobicContact CE2-CB 4.35Å; F194-H222 AromaticContact CE2-CD2 3.59Å; F194-H222 HydrophobicContact CZ-CB 4.28Å; F194-S285 WeakPolarHBondContact CD2-O 3.38Å; F194-F287 WeakPolarHBondContact CD2-O 3.43Å; F194-K288 HydrophobicContact CE1-CB 4.41Å; F194-K288 HydrophobicContact CE2-CB 4.23Å; F194-K288 HydrophobicContact CZ-CB 3.91Å
195	E	77.1	Confident	87.5	Confident	130 Å²	130	56.1 Å²	56.1	61%	0.607	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-68.2	-17.8	176.4	-68.6	177.6	-177.1	0	0	112.5	K173 G193	K173-E195 IonicContact NZ-OE1 2.78Å; K173-E195 PolarHBondContact NZ-OE1 3.42Å; K173-E195 IonicContact NZ-OE2 3.81Å; G193-E195 VanDerWaalsContact C-N 3.34Å; G193-E195 PolarHBondContact O-N 2.83Å
196	Q	76.7	Confident	87.7	Confident	138 Å²	138	57.5 Å²	57.5	65%	0.645	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-90.4	-7	177.2	-65.8	67.5	60.6	0	0	112.5	G193 F194	G193-Q196 CarbonylContact O-C 3.54Å; G193-Q196 WeakPolarHBondContact O-CA 3.35Å; G193-Q196 VanDerWaalsContact O-CB 3.28Å; G193-Q196 WeakPolarHBondContact O-CB 3.49Å; G193-Q196 PolarHBondContact O-N 3Å; G193-Q196 PolarHBondContact O-OE1 2.67Å; F194-Q196 PolarHBondContact O-N 3.24Å
197	G	69.6	Low	87.8	Confident	29 Å²	29	54.9 Å²	54.9	30%	0.299	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.9	-17	179.3	0	0	0	0	0	114.9	G193 F194 S285	G193-G197 PolarHBondContact O-N 3.22Å; F194-G197 PolarHBondContact O-N 3.35Å; G197-S285 VanDerWaalsContact O-CA 3.26Å; G197-S285 WeakPolarHBondContact O-CA 3.38Å
198	M	73.9	Confident	88	Confident	96 Å²	96	52.8 Å²	52.8	47%	0.473	27%	0.27	S	S	.	.	S	Bend	trans	-147.9	144.7	-179.7	74	-173.7	-155.7	0	0	112.3	E79 G193 W284	E79-M198 VanDerWaalsContact OE2-CB 3.23Å; E79-M198 WeakPolarHBondContact OE2-CB 3.36Å; G193-M198 CarbonylContact C-O 3.53Å; G193-M198 VanDerWaalsContact CA-O 3.26Å; G193-M198 WeakPolarHBondContact CA-O 3.44Å; G193-M198 VanDerWaalsContact O-O 3.08Å; M198-W284 VanDerWaalsContact CA-O 3.25Å; M198-W284 WeakPolarHBondContact CA-O 3.05Å
199	Y	87.4	Confident	88	Confident	1 Å²	1	52.6 Å²	52.6	0%	0.004	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-77.4	152.7	170.8	57.8	-94.4	0	0	0	112.1	P192 L225 E226 D236 F276 S283 W284 G286	P192-Y199 WeakPolarHBondContact O-CA 3.12Å; P192-Y199 WeakPolarHBondContact O-CB 3.29Å; Y199-L225 HydrophobicContact CD1-CD2 4.05Å; Y199-L225 HydrophobicContact CE1-CD2 3.52Å; Y199-E226 PolarHBondContact OH-N 3.1Å; Y199-D236 WeakPolarHBondContact CE2-OD2 3.42Å; Y199-D236 PolarHBondContact OH-OD2 2.79Å; Y199-F276 HydrophobicContact CD1-CZ 4.31Å; Y199-F276 HydrophobicContact CD2-CE1 4.3Å; Y199-F276 AromaticContact CD2-CZ 3.69Å; Y199-F276 HydrophobicContact CD2-CZ 3.69Å; Y199-F276 HydrophobicContact CE2-CZ 4.03Å; Y199-F276 HydrophobicContact CG-CE1 4.28Å; Y199-F276 AromaticContact CG-CZ 3.84Å; Y199-F276 HydrophobicContact CG-CZ 3.84Å; Y199-S283 WeakPolarHBondContact O-CB 3.46Å; Y199-S283 PolarHBondContact O-OG 3Å; Y199-W284 WeakPolarHBondContact CD1-O 3.44Å; Y199-W284 VanDerWaalsContact CE1-C 3.47Å; Y199-W284 HydrophobicContact CE1-CB 3.93Å; Y199-W284 WeakPolarHBondContact CE1-O 3.29Å; Y199-W284 PolarHBondContact N-O 2.78Å; Y199-W284 PolarHBondContact OH-N 2.82Å; Y199-G286 VanDerWaalsContact CD1-CA 3.43Å
200	P	87.9	Confident	88	Confident	60 Å²	60	57.5 Å²	57.5	39%	0.39	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-72.9	149.7	175.1	1.1	8.7	0	0	0	112.1	P192 V203 S278	P192-P200 HydrophobicContact CB-CG 4.4Å; P192-P200 VanDerWaalsContact O-CD 3.25Å; P192-P200 WeakPolarHBondContact O-CD 3.45Å; P200-V203 HydrophobicContact CB-CG2 3.64Å; P200-V203 HydrophobicContact CG-CG2 3.56Å; P200-V203 WeakPolarHBondContact O-CG2 3.41Å; P200-S278 PolarHBondContact O-OG 2.85Å
201	S	88.9	Confident	87.8	Confident	55 Å²	55	55.7 Å²	55.7	39%	0.385	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	156.3	163.7	69.7	0	0	0	0	111.7	V203 D279	S201-V203 VanDerWaalsContact C-N 3.26Å; S201-V203 PolarHBondContact O-N 2.78Å; S201-D279 CarbonylContact C-O 2.83Å; S201-D279 VanDerWaalsContact CA-O 3.31Å; S201-D279 WeakPolarHBondContact CA-O 3.43Å; S201-D279 VanDerWaalsContact CB-O 3.31Å; S201-D279 WeakPolarHBondContact CB-O 3.44Å
202	N	91.6	Very high	87.2	Confident	113 Å²	113	59 Å²	59	60%	0.604	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	32.8	176.7	-58.9	-72.3	0	0	0	113.7	S278 D279	N202-S278 WeakPolarHBondContact CA-O 3.12Å; N202-S278 PolarHBondContact N-OG 3.45Å; N202-D279 PolarHBondContact N-O 2.72Å
203	V	92.8	Very high	86.5	Confident	22 Å²	22	59.4 Å²	59.4	13%	0.133	32%	0.322	C	S	.	.			trans	-86.9	134.5	177.8	170.1	0	0	0	0	109.2	P192 P200 S201 C205 F276 S277 S278	P192-V203 HydrophobicContact CB-CG1 4.46Å; P192-V203 HydrophobicContact CG-CG1 3.91Å; P200-V203 HydrophobicContact CB-CG2 3.64Å; P200-V203 HydrophobicContact CG-CG2 3.56Å; P200-V203 WeakPolarHBondContact O-CG2 3.41Å; S201-V203 VanDerWaalsContact C-N 3.26Å; S201-V203 PolarHBondContact O-N 2.78Å; V203-C205 HydrophobicContact CG1-CB 4.14Å; V203-F276 HydrophobicContact CB-CE1 4.31Å; V203-F276 HydrophobicContact CG1-CD1 3.98Å; V203-F276 HydrophobicContact CG1-CE1 3.96Å; V203-S277 CarbonylContact O-C 3.59Å; V203-S277 VanDerWaalsContact O-CA 3.26Å; V203-S277 WeakPolarHBondContact O-CA 3.22Å; V203-S278 WeakPolarHBondContact CB-OG 2.92Å; V203-S278 PolarHBondContact N-OG 2.77Å; V203-S278 PolarHBondContact O-N 2.66Å
204	R	94	Very high	86.7	Confident	183 Å²	183	58.9 Å²	58.9	69%	0.691	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.5	115.5	160.1	-173.4	175.6	-64.5	-177.1	0.4	108.7	F276	R204-F276 WeakPolarHBondContact CA-O 3.26Å
205	C	94.8	Very high	87	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	134.9	-179.3	-157.7	0	0	0	0	112.9	C175 P192 V203 W207 E275 F276	C175-C205 WeakPolarHBondContact CA-SG 3.46Å; C175-C205 HydrophobicContact CB-CB 4.3Å; C175-C205 WeakPolarHBondContact CB-SG 3.47Å; C175-C205 WeakPolarHBondContact SG-CA 3.37Å; C175-C205 WeakPolarHBondContact SG-CB 3.42Å; C175-C205 CovalentContact SG-SG 2.02Å; C175-C205 PolarHBondContact SG-SG 2.74Å; P192-C205 HydrophobicContact CG-CB 4.34Å; V203-C205 HydrophobicContact CG1-CB 4.14Å; C205-W207 HydrophobicContact CB-CH2 3.85Å; C205-W207 HydrophobicContact CB-CZ2 4.28Å; C205-W207 HydrophobicContact CB-CZ3 4.05Å; C205-W207 VanDerWaalsContact SG-CE2 3.58Å; C205-W207 WeakPolarHBondContact SG-CH2 3.38Å; C205-W207 WeakPolarHBondContact SG-CZ2 3.44Å; C205-E275 CarbonylContact O-C 3.42Å; C205-E275 VanDerWaalsContact O-CA 3.31Å; C205-E275 WeakPolarHBondContact O-CA 3.48Å; C205-F276 HydrophobicContact CB-CB 4.34Å; C205-F276 HydrophobicContact CB-CD1 4.41Å; C205-F276 PolarHBondContact N-O 2.83Å; C205-F276 PolarHBondContact O-N 2.95Å
206	K	95.5	Very high	87.7	Confident	103 Å²	103	50.3 Å²	50.3	45%	0.448	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	125.2	-177	-174.7	175.7	-179.5	167.5	0	110.1	G176 T273 I274	G176-K206 CarbonylContact C-O 3.54Å; G176-K206 WeakPolarHBondContact CA-O 3.38Å; G176-K206 PolarHBondContact N-O 3.34Å; K206-T273 HydrophobicContact CD-CG2 4.16Å; K206-T273 HydrophobicContact CG-CG2 3.8Å; K206-I274 WeakPolarHBondContact CA-O 3.23Å
207	W	95.7	Very high	88.4	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.015	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	133.7	173.1	-62.5	-82.5	0	0	0	109.7	K174 F179 I189 C205 T273 I274 F276 F287	K174-W207 PolarHBondContact O-NE1 2.51Å; F179-W207 HydrophobicContact CE1-CB 4.22Å; I189-W207 HydrophobicContact CD1-CB 4.11Å; I189-W207 HydrophobicContact CD1-CD2 4.18Å; I189-W207 HydrophobicContact CD1-CG 3.96Å; I189-W207 HydrophobicContact CG2-CD2 3.96Å; I189-W207 HydrophobicContact CG2-CE3 4.17Å; I189-W207 HydrophobicContact CG2-CH2 3.81Å; I189-W207 HydrophobicContact CG2-CZ2 3.59Å; I189-W207 HydrophobicContact CG2-CZ3 4.11Å; C205-W207 HydrophobicContact CB-CH2 3.85Å; C205-W207 HydrophobicContact CB-CZ2 4.28Å; C205-W207 HydrophobicContact CB-CZ3 4.05Å; C205-W207 VanDerWaalsContact SG-CE2 3.58Å; C205-W207 WeakPolarHBondContact SG-CH2 3.38Å; C205-W207 WeakPolarHBondContact SG-CZ2 3.44Å; W207-T273 CarbonylContact O-C 3.51Å; W207-T273 VanDerWaalsContact O-CA 3.31Å; W207-T273 WeakPolarHBondContact O-CA 3.28Å; W207-I274 HydrophobicContact CE3-CB 4.29Å; W207-I274 HydrophobicContact CE3-CG2 4.04Å; W207-I274 HydrophobicContact CZ3-CG2 4.44Å; W207-I274 PolarHBondContact N-O 3.14Å; W207-I274 PolarHBondContact O-N 3.01Å; W207-F276 HydrophobicContact CZ3-CB 4.09Å; W207-F287 HydrophobicContact CH2-CE2 4.04Å; W207-F287 AromaticContact CH2-CZ 3.92Å; W207-F287 HydrophobicContact CH2-CZ 3.92Å; W207-F287 HydrophobicContact CZ3-CE2 4.19Å; W207-F287 AromaticContact CZ3-CZ 3.97Å; W207-F287 HydrophobicContact CZ3-CZ 3.97Å
208	T	94.8	Very high	89.6	Confident	24 Å²	24	43 Å²	43	15%	0.147	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	119.4	-178.8	-54.3	0	0	0	0	110.2	D177 T178 F179 V271	D177-T208 PolarHBondContact O-N 3.36Å; T178-T208 CarbonylContact C-O 3.52Å; T178-T208 VanDerWaalsContact CA-O 3.25Å; T178-T208 WeakPolarHBondContact CA-O 3.25Å; T178-T208 HydrophobicContact CG2-CG2 4.14Å; F179-T208 PolarHBondContact N-O 3.03Å; T208-V271 HydrophobicContact CG2-CG1 3.37Å
209	I	93	Very high	90.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	118.1	-177.2	-49.2	97.8	0	0	0	108.8	F179 M181 F216 V271 V272 I274 L291	F179-I209 HydrophobicContact CD2-CB 4.41Å; F179-I209 HydrophobicContact CD2-CG1 4.09Å; F179-I209 HydrophobicContact CD2-CG2 4Å; F179-I209 HydrophobicContact CE1-CG1 3.85Å; F179-I209 HydrophobicContact CE2-CB 3.9Å; F179-I209 HydrophobicContact CE2-CD1 4.47Å; F179-I209 HydrophobicContact CE2-CG1 3.21Å; F179-I209 HydrophobicContact CE2-CG2 3.63Å; F179-I209 HydrophobicContact CZ-CB 4.2Å; F179-I209 HydrophobicContact CZ-CD1 3.97Å; F179-I209 HydrophobicContact CZ-CG1 3.07Å; F179-I209 HydrophobicContact CZ-CG2 4.4Å; F179-I209 CarbonylContact O-C 3.53Å; F179-I209 WeakPolarHBondContact O-CA 3.26Å; M181-I209 HydrophobicContact CB-CG2 4.31Å; M181-I209 HydrophobicContact CG-CG2 3.91Å; M181-I209 HydrophobicContact SD-CG2 4Å; I209-F216 HydrophobicContact CG2-CE2 4.42Å; I209-V271 CarbonylContact O-C 3.55Å; I209-V271 VanDerWaalsContact O-CA 3.31Å; I209-V271 WeakPolarHBondContact O-CA 3.5Å; I209-V272 HydrophobicContact CB-CB 4.23Å; I209-V272 HydrophobicContact CD1-CB 4.11Å; I209-V272 HydrophobicContact CD1-CG1 4.25Å; I209-V272 WeakPolarHBondContact CD1-O 3.24Å; I209-V272 PolarHBondContact N-O 3.34Å; I209-V272 PolarHBondContact O-N 2.02Å; I209-I274 HydrophobicContact CD1-CD1 3.92Å; I209-I274 HydrophobicContact CD1-CG1 3.94Å; I209-L291 HydrophobicContact CD1-CD2 4.07Å; I209-L291 HydrophobicContact CG1-CD2 3.91Å
210	K	91.8	Very high	90.3	Very high	102 Å²	102	43 Å²	43	44%	0.443	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	128.3	173.8	-59.9	-174.4	178.1	-179.8	0	109.4	T178 F179 V180 M181 V271	T178-K210 HydrophobicContact CG2-CD 4.34Å; T178-K210 HydrophobicContact CG2-CG 4.43Å; F179-K210 PolarHBondContact O-N 2.99Å; V180-K210 VanDerWaalsContact CA-O 3.31Å; V180-K210 WeakPolarHBondContact CA-O 3.26Å; V180-K210 HydrophobicContact CG2-CB 4.25Å; M181-K210 PolarHBondContact N-O 2.89Å; K210-V271 HydrophobicContact CG-CG1 4.44Å; K210-V271 HydrophobicContact CG-CG2 4.22Å
211	G	86.6	Confident	90	Very high	5 Å²	5	45 Å²	45	5%	0.052	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	153.2	176.4	0	0	0	0	0	111	A269 Y270	G211-A269 WeakPolarHBondContact O-CA 3.42Å; G211-Y270 PolarHBondContact N-O 3.43Å; G211-Y270 PolarHBondContact O-N 2.89Å
212	A	77.8	Confident	89.7	Confident	74 Å²	74	44.1 Å²	44.1	61%	0.612	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-127.6	112.9	178.1	0	0	0	0	0	110.4	T214	A212-T214 PolarHBondContact O-N 2.91Å; A212-T214 VanDerWaalsContact O-N 3.1Å
213	G	77.6	Confident	89.4	Confident	43 Å²	43	39.3 Å²	39.3	44%	0.443	21%	0.206	S	C	.	.	S	Bend	trans	64	15.3	171.4	0	0	0	0	0	116	N268	G213-N268 PolarHBondContact N-O 3.33Å
214	T	88.8	Confident	88.9	Confident	4 Å²	4	38.6 Å²	38.6	3%	0.025	20%	0.201	C	C	.	.			trans	-105.9	155.4	179.1	54.6	0	0	0	0	111.7	P183 A212 Y270 A294	P183-T214 HydrophobicContact CB-CG2 3.78Å; A212-T214 PolarHBondContact O-N 2.91Å; A212-T214 VanDerWaalsContact O-N 3.1Å; T214-Y270 WeakPolarHBondContact O-CE1 3.49Å; T214-Y270 PolarHBondContact O-OH 2.81Å; T214-Y270 PolarHBondContact OG1-OH 2.54Å; T214-A294 WeakPolarHBondContact CA-O 3.31Å; T214-A294 WeakPolarHBondContact CB-O 3.46Å
215	V	90.5	Very high	88.6	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	136.3	166	177.1	0	0	0	0	108.7	L217 I264 R265 T293 A294 P296 P322 A323	V215-L217 HydrophobicContact CB-CD1 4.35Å; V215-L217 HydrophobicContact CG1-CD1 3.73Å; V215-L217 HydrophobicContact CG1-CG 4.25Å; V215-I264 WeakPolarHBondContact CA-O 3.25Å; V215-I264 WeakPolarHBondContact CG1-O 3.2Å; V215-R265 HydrophobicContact CG2-CB 4.03Å; V215-R265 HydrophobicContact CG2-CG 3.96Å; V215-T293 CarbonylContact O-C 3.2Å; V215-T293 VanDerWaalsContact O-CA 3.22Å; V215-T293 WeakPolarHBondContact O-CA 3.14Å; V215-A294 HydrophobicContact CB-CB 4.45Å; V215-A294 PolarHBondContact N-O 3.12Å; V215-A294 PolarHBondContact O-N 2.53Å; V215-P296 HydrophobicContact CG2-CB 4.06Å; V215-P322 HydrophobicContact CB-CG 4.19Å; V215-P322 HydrophobicContact CG1-CG 3.94Å; V215-P322 HydrophobicContact CG2-CG 4.4Å; V215-A323 HydrophobicContact CG1-CB 3.85Å; V215-A323 HydrophobicContact CG2-CB 4.49Å
216	F	92.2	Very high	88	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	130.9	174.1	178.5	-99.9	0	0	0	109.8	I209 L218 I264 Y270 V272 L291	I209-F216 HydrophobicContact CG2-CE2 4.42Å; F216-L218 HydrophobicContact CE1-CB 3.88Å; F216-L218 HydrophobicContact CZ-CB 4.27Å; F216-I264 HydrophobicContact CB-CD1 4.44Å; F216-I264 HydrophobicContact CB-CG1 3.94Å; F216-I264 HydrophobicContact CD1-CD1 4.25Å; F216-I264 HydrophobicContact CD1-CG1 4.25Å; F216-I264 PolarHBondContact N-O 2.88Å; F216-I264 PolarHBondContact O-N 3.07Å; F216-Y270 HydrophobicContact CB-CE2 3.9Å; F216-Y270 HydrophobicContact CD2-CE2 4.42Å; F216-Y270 HydrophobicContact CG-CE2 4.35Å; F216-V272 HydrophobicContact CD1-CG1 4.44Å; F216-V272 HydrophobicContact CD1-CG2 3.95Å; F216-V272 HydrophobicContact CD2-CG2 4.17Å; F216-V272 HydrophobicContact CE1-CB 4.42Å; F216-V272 HydrophobicContact CE1-CG1 3.83Å; F216-V272 HydrophobicContact CE1-CG2 4.12Å; F216-V272 HydrophobicContact CE2-CG2 4.34Å; F216-V272 HydrophobicContact CG-CG2 3.97Å; F216-V272 HydrophobicContact CZ-CB 4.34Å; F216-V272 HydrophobicContact CZ-CG1 3.94Å; F216-V272 HydrophobicContact CZ-CG2 4.31Å; F216-L291 HydrophobicContact CE2-CB 4.47Å; F216-L291 HydrophobicContact CE2-CD2 4.1Å; F216-L291 HydrophobicContact CE2-CG 4.24Å; F216-L291 HydrophobicContact CZ-CD2 4.23Å; F216-L291 HydrophobicContact CZ-CG 4.19Å
217	L	91.8	Very high	87.4	Confident	15 Å²	15	28 Å²	28	8%	0.079	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	127.1	178.4	-53.6	83.7	0	0	0	108.5	V215 I262 L263 L291 R292 A294 P322	V215-L217 HydrophobicContact CB-CD1 4.35Å; V215-L217 HydrophobicContact CG1-CD1 3.73Å; V215-L217 HydrophobicContact CG1-CG 4.25Å; L217-I262 CarbonylContact C-O 3.55Å; L217-I262 VanDerWaalsContact CA-O 3.29Å; L217-I262 WeakPolarHBondContact CA-O 3.14Å; L217-L263 HydrophobicContact CB-CG 4.22Å; L217-L263 HydrophobicContact CD2-CD2 3.69Å; L217-L263 HydrophobicContact CD2-CG 4.07Å; L217-L263 HydrophobicContact CG-CD2 4.18Å; L217-L263 HydrophobicContact CG-CG 4.03Å; L217-L291 WeakPolarHBondContact O-CA 3.37Å; L217-R292 HydrophobicContact CB-CB 4.16Å; L217-R292 HydrophobicContact CD1-CB 4.34Å; L217-R292 WeakPolarHBondContact CD1-O 3.49Å; L217-R292 PolarHBondContact N-O 3.07Å; L217-R292 PolarHBondContact O-N 2.88Å; L217-A294 HydrophobicContact CD1-CB 4.21Å; L217-P322 HydrophobicContact CD2-CB 4.45Å
218	L	93.7	Very high	86.5	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	117.2	169.8	-173.3	69.7	0	0	0	107.9	F216 V240 P260 E261 I262 I274 L289 L291	F216-L218 HydrophobicContact CE1-CB 3.88Å; F216-L218 HydrophobicContact CZ-CB 4.27Å; L218-V240 HydrophobicContact CD2-CG2 3.79Å; L218-P260 HydrophobicContact CD2-CB 4.06Å; L218-P260 HydrophobicContact CD2-CG 4.01Å; L218-E261 WeakPolarHBondContact O-CA 3.23Å; L218-I262 HydrophobicContact CB-CB 4.07Å; L218-I262 HydrophobicContact CD2-CD1 4.01Å; L218-I262 PolarHBondContact N-O 2.89Å; L218-I262 PolarHBondContact O-N 2.91Å; L218-I274 HydrophobicContact CD1-CD1 3.91Å; L218-I274 HydrophobicContact CD2-CD1 4.27Å; L218-L289 HydrophobicContact CD1-CB 3.91Å; L218-L289 HydrophobicContact CD1-CD1 4.31Å; L218-L289 HydrophobicContact CD1-CG 4.48Å; L218-L291 HydrophobicContact CD1-CD1 3.6Å; L218-L291 HydrophobicContact CD1-CG 3.79Å
219	E	88.9	Confident	85.5	Confident	56 Å²	56	37.5 Å²	37.5	26%	0.262	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	142.8	176.2	-66.6	167.8	176.1	0	0	108.1	L290 R292	E219-L290 HydrophobicContact CB-CB 4.39Å; E219-L290 PolarHBondContact N-O 2.93Å; E219-L290 PolarHBondContact O-N 3.14Å; E219-R292 IonicContact OE2-CZ 3.54Å; E219-R292 IonicContact OE2-NE 2.75Å; E219-R292 PolarHBondContact OE2-NE 2.82Å; E219-R292 IonicContact OE2-NH2 3.85Å
220	S	87.4	Confident	84.6	Confident	39 Å²	39	40.3 Å²	40.3	27%	0.273	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	131.1	170.4	-175.5	0	0	0	0	110.6	H222 F223 A259	S220-H222 VanDerWaalsContact OG-C 3.32Å; S220-H222 PolarHBondContact OG-N 2.8Å; S220-H222 PolarHBondContact OG-O 3.46Å; S220-H222 VanDerWaalsContact OG-O 3.07Å; S220-F223 WeakPolarHBondContact OG-CB 3.29Å; S220-A259 VanDerWaalsContact CB-CB 3.49Å
221	Q	82.5	Confident	83.9	Confident	102 Å²	102	41.7 Å²	41.7	48%	0.477	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-20.1	167.5	-59.5	-163.5	-53.6	0	0	112.1	K288 L290	Q221-K288 HydrophobicContact CB-CB 4.41Å; Q221-K288 HydrophobicContact CB-CD 3.97Å; Q221-K288 HydrophobicContact CB-CG 4.16Å; Q221-K288 PolarHBondContact N-O 3.02Å; Q221-L290 HydrophobicContact CG-CB 4.23Å
222	H	82.3	Confident	83.8	Confident	37 Å²	37	47.9 Å²	47.9	17%	0.171	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	135.8	176.8	-175.3	83.1	0	0	0	108.6	F194 S220 S285 G286 F287 K288	F194-H222 HydrophobicContact CE2-CB 4.35Å; F194-H222 AromaticContact CE2-CD2 3.59Å; F194-H222 HydrophobicContact CZ-CB 4.28Å; S220-H222 VanDerWaalsContact OG-C 3.32Å; S220-H222 PolarHBondContact OG-N 2.8Å; S220-H222 PolarHBondContact OG-O 3.46Å; S220-H222 VanDerWaalsContact OG-O 3.07Å; H222-S285 PolarHBondContact NE2-OG 2.88Å; H222-G286 PolarHBondContact CD2-O 2.77Å; H222-F287 CarbonylContact O-C 3.52Å; H222-F287 WeakPolarHBondContact O-CA 3.28Å; H222-F287 WeakPolarHBondContact O-CB 3.26Å; H222-K288 HydrophobicContact CB-CB 3.91Å; H222-K288 PolarHBondContact N-O 3.04Å; H222-K288 PolarHBondContact O-N 2.75Å
223	F	85.1	Confident	84.3	Confident	13 Å²	13	44.5 Å²	44.5	6%	0.057	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	112.6	179.4	-167	-90.6	0	0	0	112.6	S220 L225 L238 G256 Q258 A259 G286 F287	S220-F223 WeakPolarHBondContact OG-CB 3.29Å; F223-L225 HydrophobicContact CE1-CD1 4.32Å; F223-L225 HydrophobicContact CE1-CG 4.31Å; F223-L225 HydrophobicContact CE2-CD1 4.1Å; F223-L225 HydrophobicContact CE2-CG 4.42Å; F223-L225 HydrophobicContact CZ-CD1 3.63Å; F223-L225 HydrophobicContact CZ-CG 4.01Å; F223-L238 HydrophobicContact CE2-CB 4.08Å; F223-L238 HydrophobicContact CE2-CD2 3.79Å; F223-L238 HydrophobicContact CZ-CB 4.15Å; F223-G256 WeakPolarHBondContact CD1-O 3.48Å; F223-Q258 VanDerWaalsContact CE1-O 3.26Å; F223-Q258 WeakPolarHBondContact CE1-O 3.4Å; F223-A259 HydrophobicContact CB-CB 3.68Å; F223-A259 HydrophobicContact CD1-CB 4.23Å; F223-A259 HydrophobicContact CG-CB 3.91Å; F223-G286 CarbonylContact C-O 3.37Å; F223-G286 WeakPolarHBondContact CA-O 3.31Å; F223-F287 HydrophobicContact CD2-CB 3.65Å; F223-F287 HydrophobicContact CD2-CD1 4.5Å; F223-F287 HydrophobicContact CD2-CG 4.36Å; F223-F287 HydrophobicContact CE2-CB 4.24Å; F223-F287 HydrophobicContact CE2-CD1 4.27Å; F223-F287 HydrophobicContact CG-CB 4.46Å
224	E	81.8	Confident	84.8	Confident	7 Å²	7	47.8 Å²	47.8	3%	0.033	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	106.8	177.2	-71.6	-161.9	149.2	0	0	109.1	Y119 G256 R257 W284 S285 G286	Y119-E224 WeakPolarHBondContact CE1-OE2 3.36Å; Y119-E224 PolarHBondContact OH-OE2 2.98Å; E224-G256 VanDerWaalsContact CA-O 3.27Å; E224-G256 WeakPolarHBondContact CA-O 3.28Å; E224-R257 HydrophobicContact CG-CG 4.2Å; E224-R257 IonicContact OE1-CZ 2.91Å; E224-R257 IonicContact OE1-NE 2.89Å; E224-R257 PolarHBondContact OE1-NE 3.13Å; E224-R257 IonicContact OE1-NH2 3.53Å; E224-R257 PolarHBondContact OE1-NH2 2.78Å; E224-W284 HydrophobicContact CB-CB 4.38Å; E224-W284 HydrophobicContact CB-CE3 4.01Å; E224-S285 WeakPolarHBondContact CB-OG 3.31Å; E224-S285 PolarHBondContact OE2-OG 2.8Å; E224-G286 PolarHBondContact N-O 2.95Å; E224-G286 WeakPolarHBondContact O-CA 3.45Å; E224-G286 PolarHBondContact O-N 2.82Å
225	L	87.1	Confident	84.6	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-122	153.9	172.7	-63.1	-177.5	0	0	0	109.5	Y199 F223 D227 D236 L238 C255 G256 F276 W284 F287	Y199-L225 HydrophobicContact CD1-CD2 4.05Å; Y199-L225 HydrophobicContact CE1-CD2 3.52Å; F223-L225 HydrophobicContact CE1-CD1 4.32Å; F223-L225 HydrophobicContact CE1-CG 4.31Å; F223-L225 HydrophobicContact CE2-CD1 4.1Å; F223-L225 HydrophobicContact CE2-CG 4.42Å; F223-L225 HydrophobicContact CZ-CD1 3.63Å; F223-L225 HydrophobicContact CZ-CG 4.01Å; L225-D227 PolarHBondContact O-N 3.04Å; L225-D236 HydrophobicContact CB-CB 4.18Å; L225-L238 HydrophobicContact CD1-CB 4.14Å; L225-C255 HydrophobicContact CB-CB 4.42Å; L225-G256 PolarHBondContact N-O 3.22Å; L225-G256 WeakPolarHBondContact O-CA 3.26Å; L225-G256 PolarHBondContact O-N 2.66Å; L225-F276 HydrophobicContact CD1-CD2 4.06Å; L225-F276 HydrophobicContact CD1-CE2 3.89Å; L225-F276 HydrophobicContact CD2-CD2 4.27Å; L225-F276 HydrophobicContact CD2-CE2 3.46Å; L225-F276 VanDerWaalsContact CD2-CE2 3.46Å; L225-F276 HydrophobicContact CD2-CZ 3.94Å; L225-F276 HydrophobicContact CG-CE2 4.32Å; L225-W284 VanDerWaalsContact O-CZ3 3.26Å; L225-W284 WeakPolarHBondContact O-CZ3 3.41Å; L225-F287 HydrophobicContact CD1-CD1 4.4Å; L225-F287 HydrophobicContact CD2-CD1 3.99Å; L225-F287 HydrophobicContact CD2-CE1 4.31Å; L225-F287 HydrophobicContact CG-CD1 4.43Å
226	E	84	Confident	84.7	Confident	23 Å²	23	48.8 Å²	48.8	11%	0.107	25%	0.254	C	S	.	.			trans	-51.5	136.4	171.9	-170.3	-171.7	-166.2	0	0	110.4	Y199 P235 D236 C255 I282	Y199-E226 PolarHBondContact OH-N 3.1Å; E226-P235 HydrophobicContact CG-CB 4.21Å; E226-P235 HydrophobicContact CG-CG 4.48Å; E226-P235 WeakPolarHBondContact OE2-CB 3.44Å; E226-D236 HydrophobicContact CB-CB 3.95Å; E226-D236 WeakPolarHBondContact CB-OD2 3.2Å; E226-C255 WeakPolarHBondContact O-CB 2.91Å; E226-I282 HydrophobicContact CG-CB 4.2Å; E226-I282 HydrophobicContact CG-CG2 4.15Å
227	D	81.3	Confident	84.8	Confident	40 Å²	40	53.2 Å²	53.2	21%	0.214	27%	0.27	C	S	.	.			trans	-122.6	157.7	-178.6	-158.5	-5.7	0	0	0	110.1	L225 H231 C255	L225-D227 PolarHBondContact O-N 3.04Å; D227-H231 WeakPolarHBondContact OD1-CA 3.38Å; D227-H231 IonicContact OD1-ND1 2.66Å; D227-H231 IonicContact OD2-CE1 3.15Å; D227-H231 PolarHBondContact OD2-CE1 3.27Å; D227-H231 IonicContact OD2-CG 3.24Å; D227-H231 IonicContact OD2-ND1 2.63Å; D227-H231 PolarHBondContact OD2-ND1 2.87Å; D227-C255 PolarHBondContact OD1-SG 2.98Å
228	D	78.4	Confident	85.1	Confident	33 Å²	33	52.5 Å²	52.5	18%	0.176	27%	0.266	C	S	.	.			trans	-115	161.8	177.8	66	-32.2	0	0	0	112.5	G230 H231 K232 C233 L234 P235	D228-G230 PolarHBondContact O-N 3.24Å; D228-H231 PolarHBondContact O-N 2.99Å; D228-K232 WeakPolarHBondContact OD1-CA 3.01Å; D228-K232 PolarHBondContact OD1-N 3.32Å; D228-K232 WeakPolarHBondContact OD2-CB 3.34Å; D228-C233 PolarHBondContact OD1-N 3.47Å; D228-L234 WeakPolarHBondContact OD2-CD1 3.32Å; D228-L234 WeakPolarHBondContact OD2-CG 3.37Å; D228-P235 HydrophobicContact CB-CG 4.06Å
229	E	73.6	Confident	85.2	Confident	195 Å²	195	54.4 Å²	54.4	91%	0.911	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	115.1	174.2	-74.5	-175	175	0	0	110.6
230	G	73.9	Confident	85.5	Confident	58 Å²	58	51.8 Å²	51.8	60%	0.598	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.9	9.6	-177.7	0	0	0	0	0	115.3	D228 K232	D228-G230 PolarHBondContact O-N 3.24Å; G230-K232 PolarHBondContact O-N 2.94Å
231	H	77.1	Confident	85.9	Confident	132 Å²	132	51.7 Å²	51.7	61%	0.611	27%	0.265	S	S	*	.	S	Bend	trans	56.8	43.5	170.3	-54.3	-65.1	0	0	0	113.9	D227 D228	D227-H231 WeakPolarHBondContact OD1-CA 3.38Å; D227-H231 IonicContact OD1-ND1 2.66Å; D227-H231 IonicContact OD2-CE1 3.15Å; D227-H231 PolarHBondContact OD2-CE1 3.27Å; D227-H231 IonicContact OD2-CG 3.24Å; D227-H231 IonicContact OD2-ND1 2.63Å; D227-H231 PolarHBondContact OD2-ND1 2.87Å; D228-H231 PolarHBondContact O-N 2.99Å
232	K	83.7	Confident	86.3	Confident	134 Å²	134	47 Å²	47	58%	0.583	24%	0.244	S	C	*	.			trans	-89.4	-10.6	179.1	-64.3	174.2	-177.7	165.1	0	112.1	D228 G230 L234	D228-K232 WeakPolarHBondContact OD1-CA 3.01Å; D228-K232 PolarHBondContact OD1-N 3.32Å; D228-K232 WeakPolarHBondContact OD2-CB 3.34Å; G230-K232 PolarHBondContact O-N 2.94Å; K232-L234 HydrophobicContact CB-CD1 4.32Å; K232-L234 HydrophobicContact CB-CD2 4.36Å; K232-L234 HydrophobicContact CB-CG 3.86Å; K232-L234 HydrophobicContact CD-CD1 4.37Å; K232-L234 PolarHBondContact O-N 3.31Å
233	C	89.1	Confident	86.7	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.02	26%	0.264	C	S	.	.			trans	56.3	41.4	178.7	-51	0	0	0	0	112	D228 R237 P253 C255	D228-C233 PolarHBondContact OD1-N 3.47Å; C233-R237 HydrophobicContact CB-CB 4.1Å; C233-R237 WeakPolarHBondContact O-CB 3.31Å; C233-P253 HydrophobicContact CB-CB 3.75Å; C233-P253 HydrophobicContact CB-CG 3.95Å; C233-C255 WeakPolarHBondContact CA-SG 3.24Å; C233-C255 HydrophobicContact CB-CB 3.45Å; C233-C255 VanDerWaalsContact CB-CB 3.45Å; C233-C255 WeakPolarHBondContact CB-SG 3.27Å; C233-C255 WeakPolarHBondContact SG-CB 3.25Å; C233-C255 PolarHBondContact SG-N 3.44Å; C233-C255 CovalentContact SG-SG 2.02Å; C233-C255 PolarHBondContact SG-SG 3.33Å
234	L	86.9	Confident	86.7	Confident	113 Å²	113	51.3 Å²	51.3	59%	0.592	27%	0.266	S	S	*	.			trans	-71.8	-43.8	177.6	-61.4	177.8	0	0	0	113.1	D228 K232	D228-L234 WeakPolarHBondContact OD2-CD1 3.32Å; D228-L234 WeakPolarHBondContact OD2-CG 3.37Å; K232-L234 HydrophobicContact CB-CD1 4.32Å; K232-L234 HydrophobicContact CB-CD2 4.36Å; K232-L234 HydrophobicContact CB-CG 3.86Å; K232-L234 HydrophobicContact CD-CD1 4.37Å; K232-L234 PolarHBondContact O-N 3.31Å
235	P	85	Confident	86.4	Confident	25 Å²	25	58.6 Å²	58.6	16%	0.162	30%	0.3	C	S	.	.	S	Bend	trans	-70.4	-67.9	-177.8	-13.5	29.1	0	0	0	110.5	E226 D228	E226-P235 HydrophobicContact CG-CB 4.21Å; E226-P235 HydrophobicContact CG-CG 4.48Å; E226-P235 WeakPolarHBondContact OE2-CB 3.44Å; D228-P235 HydrophobicContact CB-CG 4.06Å
236	D	93	Very high	85.6	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.321	C	S	.	.	S	Bend	trans	-117.4	135.1	-178.1	-65.5	-9.3	0	0	0	110	Y199 L225 E226 C255 S277 S278 D279	Y199-D236 WeakPolarHBondContact CE2-OD2 3.42Å; Y199-D236 PolarHBondContact OH-OD2 2.79Å; L225-D236 HydrophobicContact CB-CB 4.18Å; E226-D236 HydrophobicContact CB-CB 3.95Å; E226-D236 WeakPolarHBondContact CB-OD2 3.2Å; D236-C255 VanDerWaalsContact O-CB 3.27Å; D236-C255 WeakPolarHBondContact O-CB 3Å; D236-S277 WeakPolarHBondContact CA-O 3.38Å; D236-S278 WeakPolarHBondContact OD1-CA 3.47Å; D236-S278 VanDerWaalsContact OD1-CB 3.31Å; D236-S278 WeakPolarHBondContact OD1-CB 3.4Å; D236-D279 PolarHBondContact OD1-N 3.43Å
237	R	95.4	Very high	85.1	Confident	92 Å²	92	65 Å²	65	35%	0.347	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	145.8	-177.5	62.4	178.3	-177.5	-87.5	-4.1	113.6	C233 P253 Y254 F276 S277	C233-R237 HydrophobicContact CB-CB 4.1Å; C233-R237 WeakPolarHBondContact O-CB 3.31Å; R237-P253 HydrophobicContact CB-CB 3.99Å; R237-Y254 WeakPolarHBondContact CA-O 3.43Å; R237-F276 WeakPolarHBondContact O-CA 3.38Å; R237-F276 WeakPolarHBondContact O-CD2 3.01Å; R237-S277 PolarHBondContact N-O 2.69Å; R237-S277 PolarHBondContact O-N 3.17Å
238	L	96.7	Very high	85.4	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	129.6	162.4	-170.8	83.5	0	0	0	109.5	F223 L225 Y254 P260 I274 E275 F276 F287 L289	F223-L238 HydrophobicContact CE2-CB 4.08Å; F223-L238 HydrophobicContact CE2-CD2 3.79Å; F223-L238 HydrophobicContact CZ-CB 4.15Å; L225-L238 HydrophobicContact CD1-CB 4.14Å; L238-Y254 PolarHBondContact N-O 2.91Å; L238-Y254 WeakPolarHBondContact O-CD2 3.26Å; L238-Y254 PolarHBondContact O-N 3.11Å; L238-P260 HydrophobicContact CD2-CG 3.82Å; L238-I274 HydrophobicContact CD1-CG2 3.59Å; L238-I274 HydrophobicContact CD2-CG2 4.47Å; L238-I274 HydrophobicContact CG-CG2 4.21Å; L238-E275 CarbonylContact C-O 3.48Å; L238-E275 WeakPolarHBondContact CA-O 2.93Å; L238-F276 HydrophobicContact CD1-CB 3.9Å; L238-F287 HydrophobicContact CD1-CE1 3.9Å; L238-F287 HydrophobicContact CD1-CE2 4.41Å; L238-F287 HydrophobicContact CD1-CZ 3.81Å; L238-L289 HydrophobicContact CD1-CD1 4.42Å; L238-L289 HydrophobicContact CD2-CD1 3.78Å; L238-L289 HydrophobicContact CD2-CD2 4.47Å
239	T	96	Very high	85.8	Confident	41 Å²	41	67.8 Å²	67.8	25%	0.252	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	149	171.7	59.1	0	0	0	0	110.3	P253 I274 E275	T239-P253 HydrophobicContact CG2-CB 4.11Å; T239-I274 WeakPolarHBondContact O-CA 3.13Å; T239-E275 PolarHBondContact N-O 2.94Å; T239-E275 PolarHBondContact O-N 2.9Å
240	V	95.9	Very high	86.7	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.006	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	114.3	176.5	-174.6	0	0	0	0	108.7	L218 S250 F251 I262 V272 T273 I274	L218-V240 HydrophobicContact CD2-CG2 3.79Å; V240-S250 CarbonylContact O-C 3.52Å; V240-S250 WeakPolarHBondContact O-CA 3.45Å; V240-F251 HydrophobicContact CB-CB 4.26Å; V240-F251 PolarHBondContact N-O 2.75Å; V240-F251 PolarHBondContact O-N 2.82Å; V240-I262 HydrophobicContact CB-CD1 3.5Å; V240-I262 HydrophobicContact CG1-CD1 3.73Å; V240-I262 HydrophobicContact CG2-CD1 3.61Å; V240-V272 HydrophobicContact CG1-CG1 3.51Å; V240-T273 CarbonylContact C-O 3.4Å; V240-T273 WeakPolarHBondContact CA-O 3.26Å; V240-I274 HydrophobicContact CG1-CG1 4.25Å; V240-I274 HydrophobicContact CG2-CG1 4.18Å
241	S	94.3	Very high	87.6	Confident	36 Å²	36	63 Å²	63	25%	0.252	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	140	176.1	72.1	0	0	0	0	110.3	V272 T273	S241-V272 CarbonylContact O-C 3.59Å; S241-V272 WeakPolarHBondContact O-CA 3.38Å; S241-T273 PolarHBondContact N-O 2.83Å; S241-T273 PolarHBondContact O-N 3.29Å; S241-T273 WeakPolarHBondContact OG-CB 3.38Å
242	V	91.9	Very high	88.2	Confident	5 Å²	5	58.7 Å²	58.7	3%	0.03	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	113.3	-178.8	-176.2	0	0	0	0	106.9	P248 A249 F251 I264 P266 V272	V242-P248 WeakPolarHBondContact O-CA 3.32Å; V242-A249 HydrophobicContact CB-CB 4.29Å; V242-A249 PolarHBondContact N-O 2.84Å; V242-A249 PolarHBondContact O-N 3.2Å; V242-F251 HydrophobicContact CG2-CD2 4.32Å; V242-F251 HydrophobicContact CG2-CE2 3.88Å; V242-I264 HydrophobicContact CB-CD1 4.13Å; V242-I264 HydrophobicContact CG1-CD1 3.76Å; V242-I264 HydrophobicContact CG2-CD1 3.33Å; V242-P266 HydrophobicContact CG1-CG 4.43Å; V242-V272 HydrophobicContact CG2-CG1 4.46Å; V242-V272 HydrophobicContact CG2-CG2 4.31Å
243	Q	90.4	Very high	88.7	Confident	125 Å²	125	55.2 Å²	55.2	58%	0.584	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	115.6	170.5	-62.1	179.6	-7.4	0	0	107.7	Y270 V271	Q243-Y270 CarbonylContact O-C 3.44Å; Q243-Y270 WeakPolarHBondContact O-CA 3.21Å; Q243-Y270 WeakPolarHBondContact O-CB 3.22Å; Q243-V271 HydrophobicContact CB-CB 4.33Å; Q243-V271 PolarHBondContact N-O 3.03Å; Q243-V271 PolarHBondContact O-N 3.11Å
244	S	85.2	Confident	88.9	Confident	15 Å²	15	56.5 Å²	56.5	11%	0.105	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	149	172.8	-172.5	0	0	0	0	107.7	D246	S244-D246 PolarHBondContact O-N 2.76Å
245	E	75	Confident	89.1	Confident	160 Å²	160	51.2 Å²	51.2	75%	0.748	29%	0.289	S	S	*	.	S	Bend	trans	-57.1	-33	-177.5	-67.5	-179	163.6	0	0	112.5
246	D	71.2	Confident	89	Confident	84 Å²	84	50 Å²	50	45%	0.449	28%	0.282	S	S	.	.	S	Bend	trans	-105.4	-25.7	-173	-52.7	-64.7	0	0	0	115	S244 K267 N268	S244-D246 PolarHBondContact O-N 2.76Å; D246-K267 HydrophobicContact CB-CB 4.13Å; D246-K267 HydrophobicContact CB-CD 4.26Å; D246-K267 WeakPolarHBondContact OD2-CB 3.34Å; D246-N268 PolarHBondContact OD2-ND2 3.08Å
247	E	74.3	Confident	88.3	Confident	72 Å²	72	54.9 Å²	54.9	34%	0.336	30%	0.3	S	S	.	.			trans	-150.4	88.7	-173.5	-72.1	-174.3	-160.5	0	0	111.8	K267 R326	E247-K267 IonicContact OE1-NZ 2.88Å; E247-K267 PolarHBondContact OE1-NZ 2.99Å; E247-R326 IonicContact OE2-NH1 2.77Å
248	P	85.9	Confident	87.6	Confident	110 Å²	110	56.1 Å²	56.1	71%	0.714	31%	0.31	S	S	*	.			trans	-68.3	136.8	170	29	-33.1	0	0	0	110.1	V242	V242-P248 WeakPolarHBondContact O-CA 3.32Å
249	A	88.2	Confident	87	Confident	23 Å²	23	58.1 Å²	58.1	19%	0.19	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	151.7	177.9	0	0	0	0	0	110.5	V242 F251	V242-A249 HydrophobicContact CB-CB 4.29Å; V242-A249 PolarHBondContact N-O 2.84Å; V242-A249 PolarHBondContact O-N 3.2Å; A249-F251 HydrophobicContact CB-CE2 3.81Å; A249-F251 HydrophobicContact CB-CZ 4.08Å
250	S	91.1	Very high	86.8	Confident	102 Å²	102	56.2 Å²	56.2	71%	0.713	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136	140.3	172.7	-66.6	0	0	0	0	109.3	V240	V240-S250 CarbonylContact O-C 3.52Å; V240-S250 WeakPolarHBondContact O-CA 3.45Å
251	F	92.6	Very high	86.4	Confident	49 Å²	49	61.1 Å²	61.1	22%	0.215	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	143.5	-176.6	-57.5	-90	0	0	0	109.4	V240 V242 A249 Y254 I262 I264	V240-F251 HydrophobicContact CB-CB 4.26Å; V240-F251 PolarHBondContact N-O 2.75Å; V240-F251 PolarHBondContact O-N 2.82Å; V242-F251 HydrophobicContact CG2-CD2 4.32Å; V242-F251 HydrophobicContact CG2-CE2 3.88Å; A249-F251 HydrophobicContact CB-CE2 3.81Å; A249-F251 HydrophobicContact CB-CZ 4.08Å; F251-Y254 HydrophobicContact CB-CE2 3.94Å; F251-I262 HydrophobicContact CB-CD1 3.45Å; F251-I262 VanDerWaalsContact CB-CD1 3.45Å; F251-I262 HydrophobicContact CB-CG1 4.09Å; F251-I262 HydrophobicContact CD1-CD1 4.26Å; F251-I262 HydrophobicContact CD1-CG1 4.05Å; F251-I262 HydrophobicContact CD1-CG2 4.37Å; F251-I262 HydrophobicContact CD2-CD1 3.84Å; F251-I262 HydrophobicContact CD2-CG1 4.34Å; F251-I262 HydrophobicContact CD2-CG2 3.97Å; F251-I262 HydrophobicContact CE1-CG2 4.22Å; F251-I262 HydrophobicContact CE2-CG2 3.81Å; F251-I262 HydrophobicContact CG-CD1 3.59Å; F251-I262 HydrophobicContact CG-CG1 3.9Å; F251-I262 HydrophobicContact CG-CG2 4.27Å; F251-I262 HydrophobicContact CZ-CG2 3.95Å; F251-I264 HydrophobicContact CE1-CG2 4.48Å; F251-I264 HydrophobicContact CE2-CG2 4.11Å; F251-I264 HydrophobicContact CZ-CG2 3.62Å
252	G	90.2	Very high	86.1	Confident	43 Å²	43	59.4 Å²	59.4	44%	0.443	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	91.3	-165.7	-172.9	0	0	0	0	0	113	Y254	G252-Y254 VanDerWaalsContact CA-CD2 3.45Å
253	P	94.8	Very high	86	Confident	61 Å²	61	59.2 Å²	59.2	40%	0.396	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-67.1	150.4	8.1	31.6	-37.4	0	0	0	113.3	C233 R237 T239	C233-P253 HydrophobicContact CB-CB 3.75Å; C233-P253 HydrophobicContact CB-CG 3.95Å; R237-P253 HydrophobicContact CB-CB 3.99Å; T239-P253 HydrophobicContact CG2-CB 4.11Å
254	Y	93.9	Very high	85.9	Confident	30 Å²	30	53.5 Å²	53.5	12%	0.118	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	134.1	176.3	-62	-80.2	0	0	0	109.4	R237 L238 F251 G252 Q258 P260 I262	R237-Y254 WeakPolarHBondContact CA-O 3.43Å; L238-Y254 PolarHBondContact N-O 2.91Å; L238-Y254 WeakPolarHBondContact O-CD2 3.26Å; L238-Y254 PolarHBondContact O-N 3.11Å; F251-Y254 HydrophobicContact CB-CE2 3.94Å; G252-Y254 VanDerWaalsContact CA-CD2 3.45Å; Y254-Q258 WeakPolarHBondContact CB-O 3.11Å; Y254-Q258 HydrophobicContact CD1-CG 4.4Å; Y254-Q258 WeakPolarHBondContact CD1-O 3Å; Y254-P260 HydrophobicContact CD1-CB 4.26Å; Y254-P260 HydrophobicContact CD2-CB 3.83Å; Y254-P260 HydrophobicContact CD2-CG 4.46Å; Y254-P260 HydrophobicContact CE1-CB 4.07Å; Y254-P260 HydrophobicContact CE2-CB 3.62Å; Y254-P260 HydrophobicContact CG-CB 4.14Å; Y254-I262 HydrophobicContact CE2-CD1 4.42Å
255	C	89.5	Confident	86	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.007	31%	0.311	C	S	.	.			trans	-156.3	-177.1	178.1	61.9	0	0	0	0	110.1	L225 E226 D227 C233 D236 R257 Q258	L225-C255 HydrophobicContact CB-CB 4.42Å; E226-C255 WeakPolarHBondContact O-CB 2.91Å; D227-C255 PolarHBondContact OD1-SG 2.98Å; C233-C255 WeakPolarHBondContact CA-SG 3.24Å; C233-C255 HydrophobicContact CB-CB 3.45Å; C233-C255 VanDerWaalsContact CB-CB 3.45Å; C233-C255 WeakPolarHBondContact CB-SG 3.27Å; C233-C255 WeakPolarHBondContact SG-CB 3.25Å; C233-C255 PolarHBondContact SG-N 3.44Å; C233-C255 CovalentContact SG-SG 2.02Å; C233-C255 PolarHBondContact SG-SG 3.33Å; D236-C255 VanDerWaalsContact O-CB 3.27Å; D236-C255 WeakPolarHBondContact O-CB 3Å; C255-R257 PolarHBondContact O-N 3.06Å; C255-Q258 PolarHBondContact O-N 2.92Å
256	G	82.8	Confident	86.4	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.01	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	57.4	-130.9	-174.3	0	0	0	0	0	109.9	F223 E224 L225	F223-G256 WeakPolarHBondContact CD1-O 3.48Å; E224-G256 VanDerWaalsContact CA-O 3.27Å; E224-G256 WeakPolarHBondContact CA-O 3.28Å; L225-G256 PolarHBondContact N-O 3.22Å; L225-G256 WeakPolarHBondContact O-CA 3.26Å; L225-G256 PolarHBondContact O-N 2.66Å
257	R	79.2	Confident	86.7	Confident	101 Å²	101	52.5 Å²	52.5	38%	0.381	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	6.2	173.3	-66.5	-178.7	176.5	165.3	2.6	113.4	N118 D145 E224 C255 A259	N118-R257 PolarHBondContact ND2-NH2 3.17Å; D145-R257 IonicContact OD1-NH1 3.52Å; D145-R257 PolarHBondContact OD1-NH1 3.41Å; D145-R257 VanDerWaalsContact OD1-NH1 3.14Å; D145-R257 IonicContact OD2-CZ 3.72Å; D145-R257 IonicContact OD2-NH1 3.38Å; D145-R257 PolarHBondContact OD2-NH1 3.45Å; D145-R257 IonicContact OD2-NH2 3.76Å; E224-R257 HydrophobicContact CG-CG 4.2Å; E224-R257 IonicContact OE1-CZ 2.91Å; E224-R257 IonicContact OE1-NE 2.89Å; E224-R257 PolarHBondContact OE1-NE 3.13Å; E224-R257 IonicContact OE1-NH2 3.53Å; E224-R257 PolarHBondContact OE1-NH2 2.78Å; C255-R257 PolarHBondContact O-N 3.06Å; R257-A259 PolarHBondContact O-N 3.26Å
258	Q	80.7	Confident	86.9	Confident	119 Å²	119	52.4 Å²	52.4	56%	0.556	29%	0.285	S	S	*	.			trans	-77.8	90.6	177.3	-170.4	177.5	24.5	0	0	109.9	F223 Y254 C255	F223-Q258 VanDerWaalsContact CE1-O 3.26Å; F223-Q258 WeakPolarHBondContact CE1-O 3.4Å; Y254-Q258 WeakPolarHBondContact CB-O 3.11Å; Y254-Q258 HydrophobicContact CD1-CG 4.4Å; Y254-Q258 WeakPolarHBondContact CD1-O 3Å; C255-Q258 PolarHBondContact O-N 2.92Å
259	A	84.6	Confident	86.8	Confident	41 Å²	41	50 Å²	50	34%	0.339	27%	0.274	S	S	.	.			trans	-76.9	150	-178.3	0	0	0	0	0	113.2	S220 F223 R257	S220-A259 VanDerWaalsContact CB-CB 3.49Å; F223-A259 HydrophobicContact CB-CB 3.68Å; F223-A259 HydrophobicContact CD1-CB 4.23Å; F223-A259 HydrophobicContact CG-CB 3.91Å; R257-A259 PolarHBondContact O-N 3.26Å
260	P	90.4	Very high	86.8	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.013	27%	0.266	C	S	.	.			trans	-73.2	129.1	169.7	30.8	-36	0	0	0	111.8	L218 L238 Y254 I262 L289	L218-P260 HydrophobicContact CD2-CB 4.06Å; L218-P260 HydrophobicContact CD2-CG 4.01Å; L238-P260 HydrophobicContact CD2-CG 3.82Å; Y254-P260 HydrophobicContact CD1-CB 4.26Å; Y254-P260 HydrophobicContact CD2-CB 3.83Å; Y254-P260 HydrophobicContact CD2-CG 4.46Å; Y254-P260 HydrophobicContact CE1-CB 4.07Å; Y254-P260 HydrophobicContact CE2-CB 3.62Å; Y254-P260 HydrophobicContact CG-CB 4.14Å; P260-I262 HydrophobicContact CB-CD1 4.21Å; P260-I262 HydrophobicContact CB-CG1 4.32Å; P260-L289 HydrophobicContact CG-CD2 3.93Å
261	E	87.1	Confident	86.9	Confident	103 Å²	103	46 Å²	46	48%	0.481	24%	0.243	S	C	.	.			trans	-118.7	104.8	159.2	-174.2	-178.7	179.9	0	0	108.1	L218 L263 F324 R406	L218-E261 WeakPolarHBondContact O-CA 3.23Å; E261-L263 HydrophobicContact CG-CD1 3.49Å; E261-L263 VanDerWaalsContact CG-CD1 3.49Å; E261-F324 HydrophobicContact CG-CZ 4.38Å; E261-R406 IonicContact OE1-NH1 2.78Å
262	I	90	Very high	87	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	111.7	-173.6	-58.9	171.5	0	0	0	108.9	L217 L218 V240 F251 Y254 P260 I264	L217-I262 CarbonylContact C-O 3.55Å; L217-I262 VanDerWaalsContact CA-O 3.29Å; L217-I262 WeakPolarHBondContact CA-O 3.14Å; L218-I262 HydrophobicContact CB-CB 4.07Å; L218-I262 HydrophobicContact CD2-CD1 4.01Å; L218-I262 PolarHBondContact N-O 2.89Å; L218-I262 PolarHBondContact O-N 2.91Å; V240-I262 HydrophobicContact CB-CD1 3.5Å; V240-I262 HydrophobicContact CG1-CD1 3.73Å; V240-I262 HydrophobicContact CG2-CD1 3.61Å; F251-I262 HydrophobicContact CB-CD1 3.45Å; F251-I262 VanDerWaalsContact CB-CD1 3.45Å; F251-I262 HydrophobicContact CB-CG1 4.09Å; F251-I262 HydrophobicContact CD1-CD1 4.26Å; F251-I262 HydrophobicContact CD1-CG1 4.05Å; F251-I262 HydrophobicContact CD1-CG2 4.37Å; F251-I262 HydrophobicContact CD2-CD1 3.84Å; F251-I262 HydrophobicContact CD2-CG1 4.34Å; F251-I262 HydrophobicContact CD2-CG2 3.97Å; F251-I262 HydrophobicContact CE1-CG2 4.22Å; F251-I262 HydrophobicContact CE2-CG2 3.81Å; F251-I262 HydrophobicContact CG-CD1 3.59Å; F251-I262 HydrophobicContact CG-CG1 3.9Å; F251-I262 HydrophobicContact CG-CG2 4.27Å; F251-I262 HydrophobicContact CZ-CG2 3.95Å; Y254-I262 HydrophobicContact CE2-CD1 4.42Å; P260-I262 HydrophobicContact CB-CD1 4.21Å; P260-I262 HydrophobicContact CB-CG1 4.32Å; I262-I264 HydrophobicContact CG2-CD1 4.39Å; I262-I264 HydrophobicContact CG2-CG1 4.49Å; I262-I264 HydrophobicContact CG2-CG2 3.63Å
263	L	89	Confident	87.2	Confident	1 Å²	1	42 Å²	42	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	106.4	176.2	-73.1	84.6	0	0	0	109.6	L217 E261 P322 F324	L217-L263 HydrophobicContact CB-CG 4.22Å; L217-L263 HydrophobicContact CD2-CD2 3.69Å; L217-L263 HydrophobicContact CD2-CG 4.07Å; L217-L263 HydrophobicContact CG-CD2 4.18Å; L217-L263 HydrophobicContact CG-CG 4.03Å; E261-L263 HydrophobicContact CG-CD1 3.49Å; E261-L263 VanDerWaalsContact CG-CD1 3.49Å; L263-P322 WeakPolarHBondContact CD2-O 3.44Å; L263-F324 HydrophobicContact CB-CD1 4.48Å; L263-F324 HydrophobicContact CB-CD2 3.9Å; L263-F324 HydrophobicContact CB-CE1 4.48Å; L263-F324 HydrophobicContact CB-CE2 3.9Å; L263-F324 HydrophobicContact CB-CG 4.21Å; L263-F324 HydrophobicContact CB-CZ 4.2Å; L263-F324 HydrophobicContact CD1-CE1 4.44Å; L263-F324 HydrophobicContact CD1-CE2 3.98Å; L263-F324 HydrophobicContact CD1-CZ 3.77Å; L263-F324 HydrophobicContact CG-CZ 4.45Å; L263-F324 WeakPolarHBondContact O-CD2 3.16Å; L263-F324 PolarHBondContact O-N 2.91Å
264	I	88	Confident	87.3	Confident	4 Å²	4	39.1 Å²	39.1	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	145.5	-169.7	66.3	178.7	0	0	0	111.6	V215 F216 V242 F251 I262 P266 A323	V215-I264 WeakPolarHBondContact CA-O 3.25Å; V215-I264 WeakPolarHBondContact CG1-O 3.2Å; F216-I264 HydrophobicContact CB-CD1 4.44Å; F216-I264 HydrophobicContact CB-CG1 3.94Å; F216-I264 HydrophobicContact CD1-CD1 4.25Å; F216-I264 HydrophobicContact CD1-CG1 4.25Å; F216-I264 PolarHBondContact N-O 2.88Å; F216-I264 PolarHBondContact O-N 3.07Å; V242-I264 HydrophobicContact CB-CD1 4.13Å; V242-I264 HydrophobicContact CG1-CD1 3.76Å; V242-I264 HydrophobicContact CG2-CD1 3.33Å; F251-I264 HydrophobicContact CE1-CG2 4.48Å; F251-I264 HydrophobicContact CE2-CG2 4.11Å; F251-I264 HydrophobicContact CZ-CG2 3.62Å; I262-I264 HydrophobicContact CG2-CD1 4.39Å; I262-I264 HydrophobicContact CG2-CG1 4.49Å; I262-I264 HydrophobicContact CG2-CG2 3.63Å; I264-P266 HydrophobicContact CD1-CG 4.26Å; I264-P266 HydrophobicContact CG1-CG 4.24Å; I264-P266 WeakPolarHBondContact O-CD 3.39Å; I264-A323 VanDerWaalsContact C-CB 3.5Å
265	R	87.3	Confident	87.4	Confident	104 Å²	104	40.6 Å²	40.6	39%	0.392	20%	0.203	S	C	.	.			trans	-115.9	90.4	172.3	-176.1	178	177.4	-129.5	-2.9	109.8	V215 D320 A323	V215-R265 HydrophobicContact CG2-CB 4.03Å; V215-R265 HydrophobicContact CG2-CG 3.96Å; R265-D320 HydrophobicContact CB-CB 4.38Å; R265-D320 WeakPolarHBondContact CD-OD1 3.06Å; R265-D320 IonicContact CZ-OD1 3.58Å; R265-D320 IonicContact NH1-OD1 2.75Å; R265-D320 PolarHBondContact NH1-OD1 2.85Å; R265-A323 HydrophobicContact CB-CB 3.61Å
266	P	84.3	Confident	87.7	Confident	13 Å²	13	40.5 Å²	40.5	8%	0.084	20%	0.202	C	C	.	.			trans	-64.2	142	174.1	-20.4	36.3	0	0	0	110	V242 I264 N268 Y270	V242-P266 HydrophobicContact CG1-CG 4.43Å; I264-P266 HydrophobicContact CD1-CG 4.26Å; I264-P266 HydrophobicContact CG1-CG 4.24Å; I264-P266 WeakPolarHBondContact O-CD 3.39Å; P266-N268 VanDerWaalsContact C-N 3.26Å; P266-N268 PolarHBondContact O-N 2.82Å; P266-Y270 HydrophobicContact CB-CD1 3.56Å; P266-Y270 HydrophobicContact CB-CE1 4.36Å; P266-Y270 HydrophobicContact CB-CG 3.73Å; P266-Y270 HydrophobicContact CG-CD1 3.47Å; P266-Y270 VanDerWaalsContact CG-CD1 3.47Å; P266-Y270 HydrophobicContact CG-CD2 3.98Å; P266-Y270 HydrophobicContact CG-CE1 3.91Å; P266-Y270 HydrophobicContact CG-CE2 4.37Å; P266-Y270 HydrophobicContact CG-CG 3.51Å
267	K	77	Confident	88.3	Confident	122 Å²	122	41.2 Å²	41.2	53%	0.53	21%	0.207	S	C	.	.	S	Bend	trans	-73.7	-12.1	-173.8	-81.7	174.8	178	153.8	0	114.4	D246 E247	D246-K267 HydrophobicContact CB-CB 4.13Å; D246-K267 HydrophobicContact CB-CD 4.26Å; D246-K267 WeakPolarHBondContact OD2-CB 3.34Å; E247-K267 IonicContact OE1-NZ 2.88Å; E247-K267 PolarHBondContact OE1-NZ 2.99Å
268	N	78.5	Confident	89	Confident	70 Å²	70	36.7 Å²	36.7	37%	0.374	19%	0.191	S	C	.	.	S	Bend	trans	-151.2	-154.2	-177.4	-83.6	-46.3	0	0	0	111.3	G213 D246 P266	G213-N268 PolarHBondContact N-O 3.33Å; D246-N268 PolarHBondContact OD2-ND2 3.08Å; P266-N268 VanDerWaalsContact C-N 3.26Å; P266-N268 PolarHBondContact O-N 2.82Å
269	A	83.3	Confident	89.5	Confident	58 Å²	58	33.2 Å²	33.2	48%	0.479	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	143.9	166.2	0	0	0	0	0	110.5	G211	G211-A269 WeakPolarHBondContact O-CA 3.42Å
270	Y	89.5	Confident	89.6	Confident	5 Å²	5	34.8 Å²	34.8	2%	0.02	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	154.9	-177.6	65.6	-88.8	0	0	0	111.8	G211 T214 F216 Q243 P266 V272	G211-Y270 PolarHBondContact N-O 3.43Å; G211-Y270 PolarHBondContact O-N 2.89Å; T214-Y270 WeakPolarHBondContact O-CE1 3.49Å; T214-Y270 PolarHBondContact O-OH 2.81Å; T214-Y270 PolarHBondContact OG1-OH 2.54Å; F216-Y270 HydrophobicContact CB-CE2 3.9Å; F216-Y270 HydrophobicContact CD2-CE2 4.42Å; F216-Y270 HydrophobicContact CG-CE2 4.35Å; Q243-Y270 CarbonylContact O-C 3.44Å; Q243-Y270 WeakPolarHBondContact O-CA 3.21Å; Q243-Y270 WeakPolarHBondContact O-CB 3.22Å; P266-Y270 HydrophobicContact CB-CD1 3.56Å; P266-Y270 HydrophobicContact CB-CE1 4.36Å; P266-Y270 HydrophobicContact CB-CG 3.73Å; P266-Y270 HydrophobicContact CG-CD1 3.47Å; P266-Y270 VanDerWaalsContact CG-CD1 3.47Å; P266-Y270 HydrophobicContact CG-CD2 3.98Å; P266-Y270 HydrophobicContact CG-CE1 3.91Å; P266-Y270 HydrophobicContact CG-CE2 4.37Å; P266-Y270 HydrophobicContact CG-CG 3.51Å; Y270-V272 HydrophobicContact CD2-CG2 3.57Å; Y270-V272 HydrophobicContact CE2-CG2 3.61Å
271	V	92.7	Very high	89.1	Confident	37 Å²	37	41.4 Å²	41.4	22%	0.224	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	112	172.9	-173.6	0	0	0	0	108	T208 I209 K210 Q243	T208-V271 HydrophobicContact CG2-CG1 3.37Å; I209-V271 CarbonylContact O-C 3.55Å; I209-V271 VanDerWaalsContact O-CA 3.31Å; I209-V271 WeakPolarHBondContact O-CA 3.5Å; K210-V271 HydrophobicContact CG-CG1 4.44Å; K210-V271 HydrophobicContact CG-CG2 4.22Å; Q243-V271 HydrophobicContact CB-CB 4.33Å; Q243-V271 PolarHBondContact N-O 3.03Å; Q243-V271 PolarHBondContact O-N 3.11Å
272	V	93.7	Very high	88.6	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	133.1	168.7	-173	0	0	0	0	108.2	I209 F216 V240 S241 V242 Y270 I274	I209-V272 HydrophobicContact CB-CB 4.23Å; I209-V272 HydrophobicContact CD1-CB 4.11Å; I209-V272 HydrophobicContact CD1-CG1 4.25Å; I209-V272 WeakPolarHBondContact CD1-O 3.24Å; I209-V272 PolarHBondContact N-O 3.34Å; I209-V272 PolarHBondContact O-N 2.02Å; F216-V272 HydrophobicContact CD1-CG1 4.44Å; F216-V272 HydrophobicContact CD1-CG2 3.95Å; F216-V272 HydrophobicContact CD2-CG2 4.17Å; F216-V272 HydrophobicContact CE1-CB 4.42Å; F216-V272 HydrophobicContact CE1-CG1 3.83Å; F216-V272 HydrophobicContact CE1-CG2 4.12Å; F216-V272 HydrophobicContact CE2-CG2 4.34Å; F216-V272 HydrophobicContact CG-CG2 3.97Å; F216-V272 HydrophobicContact CZ-CB 4.34Å; F216-V272 HydrophobicContact CZ-CG1 3.94Å; F216-V272 HydrophobicContact CZ-CG2 4.31Å; V240-V272 HydrophobicContact CG1-CG1 3.51Å; S241-V272 CarbonylContact O-C 3.59Å; S241-V272 WeakPolarHBondContact O-CA 3.38Å; V242-V272 HydrophobicContact CG2-CG1 4.46Å; V242-V272 HydrophobicContact CG2-CG2 4.31Å; Y270-V272 HydrophobicContact CD2-CG2 3.57Å; Y270-V272 HydrophobicContact CE2-CG2 3.61Å; V272-I274 HydrophobicContact CG1-CG1 4.39Å
273	T	95.3	Very high	88.1	Confident	9 Å²	9	42.6 Å²	42.6	6%	0.055	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	121.8	172.6	-61	0	0	0	0	108.1	K206 W207 V240 S241	K206-T273 HydrophobicContact CD-CG2 4.16Å; K206-T273 HydrophobicContact CG-CG2 3.8Å; W207-T273 CarbonylContact O-C 3.51Å; W207-T273 VanDerWaalsContact O-CA 3.31Å; W207-T273 WeakPolarHBondContact O-CA 3.28Å; V240-T273 CarbonylContact C-O 3.4Å; V240-T273 WeakPolarHBondContact CA-O 3.26Å; S241-T273 PolarHBondContact N-O 2.83Å; S241-T273 PolarHBondContact O-N 3.29Å; S241-T273 WeakPolarHBondContact OG-CB 3.38Å
274	I	96.1	Very high	87.8	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	120.7	171.5	-58.8	176.1	0	0	0	106.7	I189 K206 W207 I209 L218 L238 T239 V240 V272 L289 L291	I189-I274 HydrophobicContact CD1-CD1 4.06Å; K206-I274 WeakPolarHBondContact CA-O 3.23Å; W207-I274 HydrophobicContact CE3-CB 4.29Å; W207-I274 HydrophobicContact CE3-CG2 4.04Å; W207-I274 HydrophobicContact CZ3-CG2 4.44Å; W207-I274 PolarHBondContact N-O 3.14Å; W207-I274 PolarHBondContact O-N 3.01Å; I209-I274 HydrophobicContact CD1-CD1 3.92Å; I209-I274 HydrophobicContact CD1-CG1 3.94Å; L218-I274 HydrophobicContact CD1-CD1 3.91Å; L218-I274 HydrophobicContact CD2-CD1 4.27Å; L238-I274 HydrophobicContact CD1-CG2 3.59Å; L238-I274 HydrophobicContact CD2-CG2 4.47Å; L238-I274 HydrophobicContact CG-CG2 4.21Å; T239-I274 WeakPolarHBondContact O-CA 3.13Å; V240-I274 HydrophobicContact CG1-CG1 4.25Å; V240-I274 HydrophobicContact CG2-CG1 4.18Å; V272-I274 HydrophobicContact CG1-CG1 4.39Å; I274-L289 HydrophobicContact CG2-CD1 4.29Å; I274-L291 HydrophobicContact CD1-CD1 4.42Å; I274-L291 HydrophobicContact CD1-CD2 4.16Å; I274-L291 HydrophobicContact CD1-CG 4.48Å
275	E	96	Very high	87.3	Confident	60 Å²	60	45.7 Å²	45.7	28%	0.28	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	123.9	-179.7	-174.6	170	-177.8	0	0	110.3	C205 L238 T239	C205-E275 CarbonylContact O-C 3.42Å; C205-E275 VanDerWaalsContact O-CA 3.31Å; C205-E275 WeakPolarHBondContact O-CA 3.48Å; L238-E275 CarbonylContact C-O 3.48Å; L238-E275 WeakPolarHBondContact CA-O 2.93Å; T239-E275 PolarHBondContact N-O 2.94Å; T239-E275 PolarHBondContact O-N 2.9Å
276	F	96.3	Very high	87.3	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	132.3	174	170.6	-125.8	0	0	0	109.3	Y199 V203 R204 C205 W207 L225 R237 L238 F287	Y199-F276 HydrophobicContact CD1-CZ 4.31Å; Y199-F276 HydrophobicContact CD2-CE1 4.3Å; Y199-F276 AromaticContact CD2-CZ 3.69Å; Y199-F276 HydrophobicContact CD2-CZ 3.69Å; Y199-F276 HydrophobicContact CE2-CZ 4.03Å; Y199-F276 HydrophobicContact CG-CE1 4.28Å; Y199-F276 AromaticContact CG-CZ 3.84Å; Y199-F276 HydrophobicContact CG-CZ 3.84Å; V203-F276 HydrophobicContact CB-CE1 4.31Å; V203-F276 HydrophobicContact CG1-CD1 3.98Å; V203-F276 HydrophobicContact CG1-CE1 3.96Å; R204-F276 WeakPolarHBondContact CA-O 3.26Å; C205-F276 HydrophobicContact CB-CB 4.34Å; C205-F276 HydrophobicContact CB-CD1 4.41Å; C205-F276 PolarHBondContact N-O 2.83Å; C205-F276 PolarHBondContact O-N 2.95Å; W207-F276 HydrophobicContact CZ3-CB 4.09Å; L225-F276 HydrophobicContact CD1-CD2 4.06Å; L225-F276 HydrophobicContact CD1-CE2 3.89Å; L225-F276 HydrophobicContact CD2-CD2 4.27Å; L225-F276 HydrophobicContact CD2-CE2 3.46Å; L225-F276 VanDerWaalsContact CD2-CE2 3.46Å; L225-F276 HydrophobicContact CD2-CZ 3.94Å; L225-F276 HydrophobicContact CG-CE2 4.32Å; R237-F276 WeakPolarHBondContact O-CA 3.38Å; R237-F276 WeakPolarHBondContact O-CD2 3.01Å; L238-F276 HydrophobicContact CD1-CB 3.9Å; F276-F287 HydrophobicContact CB-CE1 4Å; F276-F287 HydrophobicContact CB-CZ 3.84Å; F276-F287 HydrophobicContact CD1-CE1 4.04Å; F276-F287 HydrophobicContact CD1-CZ 4.14Å; F276-F287 AromaticContact CD2-CE1 3.67Å; F276-F287 HydrophobicContact CD2-CE1 3.67Å; F276-F287 HydrophobicContact CD2-CZ 4.36Å; F276-F287 HydrophobicContact CE1-CE1 4.46Å; F276-F287 HydrophobicContact CE2-CE1 4.15Å; F276-F287 AromaticContact CG-CE1 3.61Å; F276-F287 HydrophobicContact CG-CE1 3.61Å; F276-F287 AromaticContact CG-CZ 3.85Å; F276-F287 HydrophobicContact CG-CZ 3.85Å
277	S	96	Very high	87.6	Confident	16 Å²	16	40.1 Å²	40.1	11%	0.112	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	134.3	172.1	-166.3	0	0	0	0	109.1	V203 D236 R237	V203-S277 CarbonylContact O-C 3.59Å; V203-S277 VanDerWaalsContact O-CA 3.26Å; V203-S277 WeakPolarHBondContact O-CA 3.22Å; D236-S277 WeakPolarHBondContact CA-O 3.38Å; R237-S277 PolarHBondContact N-O 2.69Å; R237-S277 PolarHBondContact O-N 3.17Å
278	S	94	Very high	88.2	Confident	6 Å²	6	37.1 Å²	37.1	4%	0.042	20%	0.201	C	C	.	.			trans	-115.9	151.7	166	63.9	0	0	0	0	112.4	P200 N202 V203 D236	P200-S278 PolarHBondContact O-OG 2.85Å; N202-S278 WeakPolarHBondContact CA-O 3.12Å; N202-S278 PolarHBondContact N-OG 3.45Å; V203-S278 WeakPolarHBondContact CB-OG 2.92Å; V203-S278 PolarHBondContact N-OG 2.77Å; V203-S278 PolarHBondContact O-N 2.66Å; D236-S278 WeakPolarHBondContact OD1-CA 3.47Å; D236-S278 VanDerWaalsContact OD1-CB 3.31Å; D236-S278 WeakPolarHBondContact OD1-CB 3.4Å
279	D	90.5	Very high	88.9	Confident	46 Å²	46	33.8 Å²	33.8	25%	0.246	18%	0.183	C	C	.	.			trans	-87.1	-168.7	177.5	96.8	-27.4	0	0	0	112.1	S201 N202 D236 K281	S201-D279 CarbonylContact C-O 2.83Å; S201-D279 VanDerWaalsContact CA-O 3.31Å; S201-D279 WeakPolarHBondContact CA-O 3.43Å; S201-D279 VanDerWaalsContact CB-O 3.31Å; S201-D279 WeakPolarHBondContact CB-O 3.44Å; N202-D279 PolarHBondContact N-O 2.72Å; D236-D279 PolarHBondContact OD1-N 3.43Å; D279-K281 VanDerWaalsContact C-N 3.31Å; D279-K281 WeakPolarHBondContact OD1-CA 2.87Å; D279-K281 PolarHBondContact OD1-N 2.91Å
280	S	85.8	Confident	89.3	Confident	74 Å²	74	31.1 Å²	31.1	52%	0.517	16%	0.161	S	C	.	.	S	Bend	trans	-80.8	-5	-180	63.7	0	0	0	0	115.6
281	K	80.2	Confident	89.5	Confident	141 Å²	141	30.9 Å²	30.9	61%	0.613	16%	0.16	S	C	*	.	S	Bend	trans	-117.4	-169.8	-170.3	-63.6	-176.7	-178.1	176.8	0	109.2	D279 S283	D279-K281 VanDerWaalsContact C-N 3.31Å; D279-K281 WeakPolarHBondContact OD1-CA 2.87Å; D279-K281 PolarHBondContact OD1-N 2.91Å; K281-S283 PolarHBondContact O-OG 3.15Å
282	I	76.8	Confident	89.5	Confident	102 Å²	102	32.9 Å²	32.9	52%	0.523	16%	0.164	S	C	.	.			trans	-14.8	124.6	-173.5	-63	164.1	0	0	0	113.8	E226 W284	E226-I282 HydrophobicContact CG-CB 4.2Å; E226-I282 HydrophobicContact CG-CG2 4.15Å; I282-W284 VanDerWaalsContact CG2-NE1 3.32Å
283	S	79.3	Confident	89.4	Confident	27 Å²	27	33.1 Å²	33.1	19%	0.189	17%	0.165	C	C	.	.			trans	-120.5	139.5	174.5	-53.6	0	0	0	0	109.9	Y199 K281	Y199-S283 WeakPolarHBondContact O-CB 3.46Å; Y199-S283 PolarHBondContact O-OG 3Å; K281-S283 PolarHBondContact O-OG 3.15Å
284	W	83.2	Confident	89.2	Confident	61 Å²	61	33.6 Å²	33.6	23%	0.231	17%	0.17	C	C	.	.			trans	-108.7	-166.3	178.5	-65.7	5.8	0	0	0	110.6	Y119 M198 Y199 E224 L225 I282 G286	Y119-W284 HydrophobicContact CE1-CB 4.46Å; M198-W284 VanDerWaalsContact CA-O 3.25Å; M198-W284 WeakPolarHBondContact CA-O 3.05Å; Y199-W284 WeakPolarHBondContact CD1-O 3.44Å; Y199-W284 VanDerWaalsContact CE1-C 3.47Å; Y199-W284 HydrophobicContact CE1-CB 3.93Å; Y199-W284 WeakPolarHBondContact CE1-O 3.29Å; Y199-W284 PolarHBondContact N-O 2.78Å; Y199-W284 PolarHBondContact OH-N 2.82Å; E224-W284 HydrophobicContact CB-CB 4.38Å; E224-W284 HydrophobicContact CB-CE3 4.01Å; L225-W284 VanDerWaalsContact O-CZ3 3.26Å; L225-W284 WeakPolarHBondContact O-CZ3 3.41Å; I282-W284 VanDerWaalsContact CG2-NE1 3.32Å; W284-G286 VanDerWaalsContact C-N 3.27Å; W284-G286 PolarHBondContact O-N 2.79Å
285	S	78.5	Confident	88.8	Confident	9 Å²	9	39 Å²	39	6%	0.063	19%	0.194	C	C	.	.			trans	-72.8	-18.4	-173.2	57.1	0	0	0	0	113.8	Y119 F194 G197 H222 E224	Y119-S285 VanDerWaalsContact CE1-CB 3.47Å; F194-S285 WeakPolarHBondContact CD2-O 3.38Å; G197-S285 VanDerWaalsContact O-CA 3.26Å; G197-S285 WeakPolarHBondContact O-CA 3.38Å; H222-S285 PolarHBondContact NE2-OG 2.88Å; E224-S285 WeakPolarHBondContact CB-OG 3.31Å; E224-S285 PolarHBondContact OE2-OG 2.8Å
286	G	87.3	Confident	88.4	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	85	-138.8	174.1	0	0	0	0	0	112.3	S191 Y199 H222 F223 E224 W284	S191-G286 WeakPolarHBondContact OG-CA 3.29Å; Y199-G286 VanDerWaalsContact CD1-CA 3.43Å; H222-G286 PolarHBondContact CD2-O 2.77Å; F223-G286 CarbonylContact C-O 3.37Å; F223-G286 WeakPolarHBondContact CA-O 3.31Å; E224-G286 PolarHBondContact N-O 2.95Å; E224-G286 WeakPolarHBondContact O-CA 3.45Å; E224-G286 PolarHBondContact O-N 2.82Å; W284-G286 VanDerWaalsContact C-N 3.27Å; W284-G286 PolarHBondContact O-N 2.79Å
287	F	89.9	Confident	88.1	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	153.6	-171.6	53.9	-102.2	0	0	0	114.3	I189 Y190 S191 F194 W207 H222 F223 L225 L238 F276 L289	I189-F287 HydrophobicContact CG2-CE2 4.19Å; Y190-F287 CarbonylContact C-O 3.57Å; Y190-F287 WeakPolarHBondContact CA-O 3.35Å; S191-F287 PolarHBondContact N-O 2.79Å; S191-F287 PolarHBondContact OG-N 2.78Å; F194-F287 WeakPolarHBondContact CD2-O 3.43Å; W207-F287 HydrophobicContact CH2-CE2 4.04Å; W207-F287 AromaticContact CH2-CZ 3.92Å; W207-F287 HydrophobicContact CH2-CZ 3.92Å; W207-F287 HydrophobicContact CZ3-CE2 4.19Å; W207-F287 AromaticContact CZ3-CZ 3.97Å; W207-F287 HydrophobicContact CZ3-CZ 3.97Å; H222-F287 CarbonylContact O-C 3.52Å; H222-F287 WeakPolarHBondContact O-CA 3.28Å; H222-F287 WeakPolarHBondContact O-CB 3.26Å; F223-F287 HydrophobicContact CD2-CB 3.65Å; F223-F287 HydrophobicContact CD2-CD1 4.5Å; F223-F287 HydrophobicContact CD2-CG 4.36Å; F223-F287 HydrophobicContact CE2-CB 4.24Å; F223-F287 HydrophobicContact CE2-CD1 4.27Å; F223-F287 HydrophobicContact CG-CB 4.46Å; L225-F287 HydrophobicContact CD1-CD1 4.4Å; L225-F287 HydrophobicContact CD2-CD1 3.99Å; L225-F287 HydrophobicContact CD2-CE1 4.31Å; L225-F287 HydrophobicContact CG-CD1 4.43Å; L238-F287 HydrophobicContact CD1-CE1 3.9Å; L238-F287 HydrophobicContact CD1-CE2 4.41Å; L238-F287 HydrophobicContact CD1-CZ 3.81Å; F276-F287 HydrophobicContact CB-CE1 4Å; F276-F287 HydrophobicContact CB-CZ 3.84Å; F276-F287 HydrophobicContact CD1-CE1 4.04Å; F276-F287 HydrophobicContact CD1-CZ 4.14Å; F276-F287 AromaticContact CD2-CE1 3.67Å; F276-F287 HydrophobicContact CD2-CE1 3.67Å; F276-F287 HydrophobicContact CD2-CZ 4.36Å; F276-F287 HydrophobicContact CE1-CE1 4.46Å; F276-F287 HydrophobicContact CE2-CE1 4.15Å; F276-F287 AromaticContact CG-CE1 3.61Å; F276-F287 HydrophobicContact CG-CE1 3.61Å; F276-F287 AromaticContact CG-CZ 3.85Å; F276-F287 HydrophobicContact CG-CZ 3.85Å; F287-L289 HydrophobicContact CB-CG 4.45Å; F287-L289 HydrophobicContact CD2-CD1 3.78Å; F287-L289 HydrophobicContact CD2-CG 3.71Å; F287-L289 HydrophobicContact CE2-CD1 3.96Å; F287-L289 HydrophobicContact CE2-CG 4.36Å; F287-L289 HydrophobicContact CG-CD1 4.49Å; F287-L289 HydrophobicContact CG-CG 4.32Å
288	K	88.6	Confident	87.6	Confident	59 Å²	59	45.8 Å²	45.8	26%	0.257	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	103.2	167.8	-179	-177.4	-173.1	-160.9	0	108.7	V188 I189 Y190 F194 Q221 H222	V188-K288 HydrophobicContact CG1-CG 3.82Å; I189-K288 WeakPolarHBondContact O-CA 3.36Å; Y190-K288 HydrophobicContact CD1-CB 4.01Å; Y190-K288 HydrophobicContact CD1-CD 4.45Å; Y190-K288 HydrophobicContact CD1-CG 3.87Å; Y190-K288 HydrophobicContact CE1-CB 4.04Å; Y190-K288 HydrophobicContact CE1-CD 3.65Å; Y190-K288 HydrophobicContact CE1-CG 3.46Å; Y190-K288 VanDerWaalsContact CE1-CG 3.46Å; F194-K288 HydrophobicContact CE1-CB 4.41Å; F194-K288 HydrophobicContact CE2-CB 4.23Å; F194-K288 HydrophobicContact CZ-CB 3.91Å; Q221-K288 HydrophobicContact CB-CB 4.41Å; Q221-K288 HydrophobicContact CB-CD 3.97Å; Q221-K288 HydrophobicContact CB-CG 4.16Å; Q221-K288 PolarHBondContact N-O 3.02Å; H222-K288 HydrophobicContact CB-CB 3.91Å; H222-K288 PolarHBondContact N-O 3.04Å; H222-K288 PolarHBondContact O-N 2.75Å
289	L	93.1	Very high	87.1	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	130.5	-178.8	-59.5	174.5	0	0	0	110.4	V188 I189 L218 L238 P260 I274 F287 L291	V188-L289 CarbonylContact C-O 3.6Å; V188-L289 VanDerWaalsContact CA-O 3.3Å; V188-L289 WeakPolarHBondContact CA-O 3.5Å; I189-L289 HydrophobicContact CB-CB 4.38Å; I189-L289 PolarHBondContact N-O 3.3Å; I189-L289 PolarHBondContact O-N 3.33Å; L218-L289 HydrophobicContact CD1-CB 3.91Å; L218-L289 HydrophobicContact CD1-CD1 4.31Å; L218-L289 HydrophobicContact CD1-CG 4.48Å; L238-L289 HydrophobicContact CD1-CD1 4.42Å; L238-L289 HydrophobicContact CD2-CD1 3.78Å; L238-L289 HydrophobicContact CD2-CD2 4.47Å; P260-L289 HydrophobicContact CG-CD2 3.93Å; I274-L289 HydrophobicContact CG2-CD1 4.29Å; F287-L289 HydrophobicContact CB-CG 4.45Å; F287-L289 HydrophobicContact CD2-CD1 3.78Å; F287-L289 HydrophobicContact CD2-CG 3.71Å; F287-L289 HydrophobicContact CE2-CD1 3.96Å; F287-L289 HydrophobicContact CE2-CG 4.36Å; F287-L289 HydrophobicContact CG-CD1 4.49Å; F287-L289 HydrophobicContact CG-CG 4.32Å; L289-L291 HydrophobicContact CB-CD1 4.11Å
290	L	91.5	Very high	86.9	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	115.6	172.8	179.8	60.6	0	0	0	109.3	F169 V188 E219 Q221 R292	F169-L290 HydrophobicContact CD2-CD1 3.82Å; F169-L290 HydrophobicContact CE2-CD1 4.09Å; V188-L290 HydrophobicContact CG2-CD1 3.87Å; E219-L290 HydrophobicContact CB-CB 4.39Å; E219-L290 PolarHBondContact N-O 2.93Å; E219-L290 PolarHBondContact O-N 3.14Å; Q221-L290 HydrophobicContact CG-CB 4.23Å; L290-R292 HydrophobicContact CD2-CG 4.5Å; L290-R292 VanDerWaalsContact CD2-NH2 3.3Å; L290-R292 HydrophobicContact CG-CG 4.1Å
291	L	93.8	Very high	87.1	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	128.2	176.1	-72.9	70.3	0	0	0	108.1	F179 M181 E186 R187 I189 I209 F216 L217 L218 I274 L289	F179-L291 HydrophobicContact CE2-CD2 4.05Å; F179-L291 HydrophobicContact CZ-CD2 3.88Å; M181-L291 HydrophobicContact CE-CB 4.38Å; M181-L291 HydrophobicContact SD-CB 4.12Å; M181-L291 HydrophobicContact SD-CD2 4.37Å; E186-L291 CarbonylContact C-O 3.03Å; E186-L291 VanDerWaalsContact CA-O 3.26Å; E186-L291 WeakPolarHBondContact CA-O 3.43Å; R187-L291 PolarHBondContact N-O 3.21Å; R187-L291 PolarHBondContact O-N 1.98Å; I189-L291 HydrophobicContact CB-CD1 4.29Å; I189-L291 HydrophobicContact CD1-CD1 3.72Å; I189-L291 HydrophobicContact CD1-CD2 3.84Å; I189-L291 HydrophobicContact CD1-CG 4.47Å; I189-L291 HydrophobicContact CG1-CD1 3.8Å; I189-L291 HydrophobicContact CG1-CD2 4.47Å; I209-L291 HydrophobicContact CD1-CD2 4.07Å; I209-L291 HydrophobicContact CG1-CD2 3.91Å; F216-L291 HydrophobicContact CE2-CB 4.47Å; F216-L291 HydrophobicContact CE2-CD2 4.1Å; F216-L291 HydrophobicContact CE2-CG 4.24Å; F216-L291 HydrophobicContact CZ-CD2 4.23Å; F216-L291 HydrophobicContact CZ-CG 4.19Å; L217-L291 WeakPolarHBondContact O-CA 3.37Å; L218-L291 HydrophobicContact CD1-CD1 3.6Å; L218-L291 HydrophobicContact CD1-CG 3.79Å; I274-L291 HydrophobicContact CD1-CD1 4.42Å; I274-L291 HydrophobicContact CD1-CD2 4.16Å; I274-L291 HydrophobicContact CD1-CG 4.48Å; L289-L291 HydrophobicContact CB-CD1 4.11Å
292	R	92.6	Very high	87.7	Confident	80 Å²	80	42.5 Å²	42.5	30%	0.302	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	146.1	173.4	-46.4	176.8	177.4	-121.5	-6.2	110.2	Q185 E186 L217 E219 L290	Q185-R292 CarbonylContact O-C 3.58Å; Q185-R292 WeakPolarHBondContact O-CA 3.4Å; E186-R292 HydrophobicContact CG-CB 4.32Å; E186-R292 HydrophobicContact CG-CG 4.03Å; E186-R292 IonicContact OE1-CZ 2.72Å; E186-R292 IonicContact OE1-NE 3.73Å; E186-R292 IonicContact OE1-NH1 3.26Å; E186-R292 PolarHBondContact OE1-NH1 2.93Å; L217-R292 HydrophobicContact CB-CB 4.16Å; L217-R292 HydrophobicContact CD1-CB 4.34Å; L217-R292 WeakPolarHBondContact CD1-O 3.49Å; L217-R292 PolarHBondContact N-O 3.07Å; L217-R292 PolarHBondContact O-N 2.88Å; E219-R292 IonicContact OE2-CZ 3.54Å; E219-R292 IonicContact OE2-NE 2.75Å; E219-R292 PolarHBondContact OE2-NE 2.82Å; E219-R292 IonicContact OE2-NH2 3.85Å; L290-R292 HydrophobicContact CD2-CG 4.5Å; L290-R292 VanDerWaalsContact CD2-NH2 3.3Å; L290-R292 HydrophobicContact CG-CG 4.1Å
293	T	92.4	Very high	88.5	Confident	5 Å²	5	44.3 Å²	44.3	3%	0.031	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	146.8	167.4	52.5	0	0	0	0	110.3	M181 G182 N184 Q185 V215	M181-T293 HydrophobicContact CB-CG2 3.61Å; M181-T293 HydrophobicContact CE-CG2 4.04Å; M181-T293 HydrophobicContact SD-CG2 4.27Å; G182-T293 WeakPolarHBondContact O-CB 3.45Å; G182-T293 PolarHBondContact O-OG1 2.82Å; N184-T293 WeakPolarHBondContact CA-O 3.38Å; N184-T293 PolarHBondContact N-O 2.9Å; N184-T293 PolarHBondContact N-OG1 3.07Å; Q185-T293 PolarHBondContact N-OG1 2.92Å; Q185-T293 PolarHBondContact O-N 2.84Å; Q185-T293 PolarHBondContact O-OG1 2.94Å; V215-T293 CarbonylContact O-C 3.2Å; V215-T293 VanDerWaalsContact O-CA 3.22Å; V215-T293 WeakPolarHBondContact O-CA 3.14Å
294	A	91.3	Very high	89.2	Confident	19 Å²	19	45.9 Å²	45.9	16%	0.157	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	155	178.2	0	0	0	0	0	112	T214 V215 L217 P322	T214-A294 WeakPolarHBondContact CA-O 3.31Å; T214-A294 WeakPolarHBondContact CB-O 3.46Å; V215-A294 HydrophobicContact CB-CB 4.45Å; V215-A294 PolarHBondContact N-O 3.12Å; V215-A294 PolarHBondContact O-N 2.53Å; L217-A294 HydrophobicContact CD1-CB 4.21Å; A294-P322 HydrophobicContact CB-CG 3.65Å
295	F	88.4	Confident	89.6	Confident	113 Å²	113	44 Å²	44	50%	0.496	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-68	134.4	166.1	-74.2	-71.9	0	0	0	110.4	P183 K297	P183-F295 HydrophobicContact CB-CD1 4.09Å; P183-F295 HydrophobicContact CB-CD2 3.9Å; P183-F295 HydrophobicContact CB-CE1 3.69Å; P183-F295 HydrophobicContact CB-CE2 3.49Å; P183-F295 VanDerWaalsContact CB-CE2 3.49Å; P183-F295 HydrophobicContact CB-CG 4.19Å; P183-F295 HydrophobicContact CB-CZ 3.39Å; P183-F295 HydrophobicContact CG-CE1 3.87Å; P183-F295 HydrophobicContact CG-CE2 3.79Å; P183-F295 HydrophobicContact CG-CZ 3.34Å; F295-K297 PolarHBondContact O-N 2.71Å
296	P	87	Confident	90.2	Very high	36 Å²	36	49.9 Å²	49.9	23%	0.234	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-63.2	135.8	171.2	27.8	-33.6	0	0	0	110	V215	V215-P296 HydrophobicContact CG2-CB 4.06Å
297	K	89.6	Confident	90.3	Very high	86 Å²	86	50 Å²	50	37%	0.374	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-75.3	142.7	174.8	-62.5	-59.9	-177.5	179.8	0	110	F295 Y317 Y321	F295-K297 PolarHBondContact O-N 2.71Å; K297-Y317 HydrophobicContact CB-CD2 4.1Å; K297-Y317 HydrophobicContact CB-CE2 4.39Å; K297-Y317 HydrophobicContact CB-CG 4.18Å; K297-Y317 HydrophobicContact CD-CE1 4.31Å; K297-Y317 HydrophobicContact CD-CE2 4.37Å; K297-Y317 HydrophobicContact CG-CD1 4.07Å; K297-Y317 HydrophobicContact CG-CD2 4.29Å; K297-Y317 HydrophobicContact CG-CE1 4.02Å; K297-Y317 HydrophobicContact CG-CE2 4.27Å; K297-Y317 HydrophobicContact CG-CG 4.19Å; K297-Y321 HydrophobicContact CB-CD1 4.46Å; K297-Y321 HydrophobicContact CG-CD1 3.69Å; K297-Y321 HydrophobicContact CG-CE1 4.41Å; K297-Y321 PolarHBondContact N-O 2.77Å
298	P	86.3	Confident	89.8	Confident	96 Å²	96	55.6 Å²	55.6	62%	0.623	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-65.8	144	178.8	27.8	-34.2	0	0	0	110.5	I300	P298-I300 PolarHBondContact O-N 2.58Å
299	S	83.2	Confident	89.4	Confident	85 Å²	85	54.3 Å²	54.3	59%	0.594	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-62.1	126.1	174.9	173.2	0	0	0	0	110.5
300	I	87	Confident	88.9	Confident	11 Å²	11	57.2 Å²	57.2	6%	0.056	31%	0.308	C	S	.	.			trans	-106	-0.8	176.5	60.1	169.6	0	0	0	112.9	P298 G302 R303 F316 Y317 F333	P298-I300 PolarHBondContact O-N 2.58Å; I300-G302 PolarHBondContact O-N 3.41Å; I300-R303 WeakPolarHBondContact O-CB 3.29Å; I300-R303 PolarHBondContact O-N 3.41Å; I300-F316 VanDerWaalsContact CD1-CA 3.44Å; I300-F316 HydrophobicContact CD1-CB 4.08Å; I300-F316 HydrophobicContact CD1-CD2 3.48Å; I300-F316 VanDerWaalsContact CD1-CD2 3.48Å; I300-F316 HydrophobicContact CD1-CE2 4.17Å; I300-F316 HydrophobicContact CD1-CG 4Å; I300-Y317 VanDerWaalsContact CD1-N 3.34Å; I300-F333 HydrophobicContact CB-CD2 4.03Å; I300-F333 HydrophobicContact CB-CE2 4.14Å; I300-F333 HydrophobicContact CD1-CD1 4.43Å; I300-F333 HydrophobicContact CD1-CD2 4.16Å; I300-F333 HydrophobicContact CD1-CE2 4.45Å; I300-F333 HydrophobicContact CD1-CG 4.14Å; I300-F333 HydrophobicContact CG1-CD2 4.36Å; I300-F333 WeakPolarHBondContact O-CD2 3.34Å
301	C	89.7	Confident	88.4	Confident	34 Å²	34	66.3 Å²	66.3	23%	0.23	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	133.3	-179.1	-54.9	0	0	0	0	111.2	R303 C331	C301-R303 PolarHBondContact O-N 2.86Å; C301-C331 WeakPolarHBondContact CA-SG 3.44Å; C301-C331 HydrophobicContact CB-CB 3.97Å; C301-C331 WeakPolarHBondContact CB-SG 3.39Å; C301-C331 WeakPolarHBondContact SG-CB 3.42Å; C301-C331 CovalentContact SG-SG 2.04Å; C301-C331 PolarHBondContact SG-SG 3.03Å
302	G	91.5	Very high	88	Confident	69 Å²	69	69.7 Å²	69.7	71%	0.711	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.2	-6.9	-175.7	0	0	0	0	0	114.5	I300 T332	I300-G302 PolarHBondContact O-N 3.41Å; G302-T332 WeakPolarHBondContact CA-O 3.33Å; G302-T332 PolarHBondContact N-O 3.38Å
303	R	93.9	Very high	88	Confident	139 Å²	139	68.3 Å²	68.3	53%	0.525	37%	0.371	S	S	.	.			trans	-79	142.8	-176.8	-170.5	176.5	164.4	179.1	-3	111.3	I300 C301 T305 F333 T334	I300-R303 WeakPolarHBondContact O-CB 3.29Å; I300-R303 PolarHBondContact O-N 3.41Å; C301-R303 PolarHBondContact O-N 2.86Å; R303-T305 PolarHBondContact NE-OG1 3.36Å; R303-F333 HydrophobicContact CB-CD2 4.15Å; R303-F333 HydrophobicContact CB-CE2 4.11Å; R303-F333 HydrophobicContact CG-CE2 4.38Å; R303-F333 WeakPolarHBondContact O-CD2 3.3Å; R303-T334 PolarHBondContact O-N 3.06Å; R303-T334 VanDerWaalsContact O-N 3.08Å
304	T	93.9	Very high	88	Confident	60 Å²	60	69.1 Å²	69.1	37%	0.368	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	126.7	165.5	-62.4	0	0	0	0	109.3	Y306 T334 K336	T304-Y306 HydrophobicContact CG2-CE2 4.19Å; T304-T334 CarbonylContact C-O 3.59Å; T304-T334 VanDerWaalsContact CA-O 3.26Å; T304-T334 WeakPolarHBondContact CA-O 3.37Å; T304-T334 HydrophobicContact CG2-CG2 4.24Å; T304-K336 HydrophobicContact CG2-CD 3.85Å; T304-K336 HydrophobicContact CG2-CG 3.98Å
305	T	92.4	Very high	88	Confident	22 Å²	22	69.9 Å²	69.9	14%	0.135	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	141.3	179.1	-55.3	0	0	0	0	110.4	R303 V314 T334 V335 K336	R303-T305 PolarHBondContact NE-OG1 3.36Å; T305-V314 HydrophobicContact CG2-CG1 4.3Å; T305-V314 HydrophobicContact CG2-CG2 3.88Å; T305-T334 PolarHBondContact N-O 3.22Å; T305-V335 CarbonylContact O-C 3.57Å; T305-V335 WeakPolarHBondContact O-CA 3.41Å; T305-K336 PolarHBondContact O-N 3.45Å
306	Y	90.7	Very high	88.2	Confident	132 Å²	132	64.5 Å²	64.5	52%	0.518	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	127.2	177.8	-64.7	-90.6	0	0	0	110.8	T304 K336	T304-Y306 HydrophobicContact CG2-CE2 4.19Å; Y306-K336 CarbonylContact C-O 3.41Å; Y306-K336 VanDerWaalsContact CA-O 3.23Å; Y306-K336 WeakPolarHBondContact CA-O 3.11Å; Y306-K336 HydrophobicContact CD1-CB 3.69Å; Y306-K336 HydrophobicContact CE1-CB 3.74Å; Y306-K336 HydrophobicContact CE1-CD 3.72Å; Y306-K336 HydrophobicContact CE1-CG 4.31Å
307	M	88.7	Confident	88.4	Confident	3 Å²	3	64.3 Å²	64.3	2%	0.015	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	142.8	176.3	-62.9	-176.8	76.1	0	0	111.3	T312 V314 V335 K336 K338 I411 L413	M307-T312 WeakPolarHBondContact CE-O 3.17Å; M307-V314 HydrophobicContact CE-CG2 4.07Å; M307-V314 HydrophobicContact CG-CG2 3.65Å; M307-V314 HydrophobicContact SD-CB 4.25Å; M307-V314 HydrophobicContact SD-CG2 3.74Å; M307-V335 HydrophobicContact CG-CG1 3.75Å; M307-V335 HydrophobicContact SD-CG1 3.48Å; M307-V335 WeakPolarHBondContact SD-CG1 3.42Å; M307-K336 PolarHBondContact N-O 3.25Å; M307-K338 PolarHBondContact O-N 2.85Å; M307-I411 WeakPolarHBondContact CE-O 3.28Å; M307-I411 HydrophobicContact SD-CG2 4.27Å; M307-L413 HydrophobicContact CB-CD1 3.56Å; M307-L413 HydrophobicContact CB-CD2 4.29Å; M307-L413 HydrophobicContact CB-CG 3.8Å; M307-L413 HydrophobicContact CE-CG 4.07Å; M307-L413 HydrophobicContact SD-CG 4.2Å
308	Q	81	Confident	88.5	Confident	117 Å²	117	60.5 Å²	60.5	55%	0.547	34%	0.335	S	S	.	.			trans	-121.7	-23.3	-179.4	-74.8	-177.8	-60.7	0	0	114.3	K338 Y343	Q308-K338 VanDerWaalsContact CD-CE 3.42Å; Q308-K338 HydrophobicContact CG-CB 4.12Å; Q308-K338 HydrophobicContact CG-CD 3.45Å; Q308-K338 VanDerWaalsContact CG-CD 3.45Å; Q308-K338 HydrophobicContact CG-CG 3.68Å; Q308-Y343 WeakPolarHBondContact O-CE2 3.37Å
309	S	80.3	Confident	88.5	Confident	32 Å²	32	56.4 Å²	56.4	22%	0.224	31%	0.308	C	S	.	.			trans	-143.5	155.9	-177.9	71.2	0	0	0	0	112.5	K311 T312	S309-K311 VanDerWaalsContact C-N 3.27Å; S309-T312 PolarHBondContact O-N 3.03Å; S309-T312 PolarHBondContact O-OG1 2.8Å; S309-T312 VanDerWaalsContact O-OG1 3.09Å; S309-T312 PolarHBondContact OG-OG1 3.36Å
310	D	80.8	Confident	88.6	Confident	62 Å²	62	54 Å²	54	33%	0.332	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-23.4	169.2	53.2	2.6	0	0	0	113.2	T312 R342 Y343 L413	D310-T312 PolarHBondContact O-N 3.09Å; D310-R342 IonicContact OD2-NH2 2.97Å; D310-R342 PolarHBondContact OD2-NH2 2.63Å; D310-Y343 HydrophobicContact CB-CD1 4.3Å; D310-Y343 HydrophobicContact CB-CE1 3.59Å; D310-Y343 PolarHBondContact OD1-OH 2.83Å; D310-L413 WeakPolarHBondContact CB-O 3.43Å
311	K	81.8	Confident	88.8	Confident	192 Å²	192	54.6 Å²	54.6	84%	0.835	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-13.4	175.2	-62.4	-168.9	178.4	-174.8	0	114.2	S309	S309-K311 VanDerWaalsContact C-N 3.27Å
312	T	86.4	Confident	88.8	Confident	70 Å²	70	53.7 Å²	53.7	43%	0.429	28%	0.284	S	S	.	.			trans	-115.1	140.1	179.5	58.3	0	0	0	0	110	M307 S309 D310	M307-T312 WeakPolarHBondContact CE-O 3.17Å; S309-T312 PolarHBondContact O-N 3.03Å; S309-T312 PolarHBondContact O-OG1 2.8Å; S309-T312 VanDerWaalsContact O-OG1 3.09Å; S309-T312 PolarHBondContact OG-OG1 3.36Å; D310-T312 PolarHBondContact O-N 3.09Å
313	S	91.2	Very high	88.6	Confident	52 Å²	52	50.4 Å²	50.4	36%	0.364	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	152	171.5	63.2	0	0	0	0	111.2	E410 I411	S313-E410 VanDerWaalsContact CB-CG 3.45Å; S313-E410 WeakPolarHBondContact CB-OE1 3.47Å; S313-E410 PolarHBondContact OG-OE1 2.53Å; S313-I411 CarbonylContact C-O 3.59Å; S313-I411 VanDerWaalsContact CA-O 3.26Å; S313-I411 WeakPolarHBondContact CA-O 3.36Å; S313-I411 WeakPolarHBondContact CB-O 3.32Å
314	V	92.8	Very high	88.2	Confident	22 Å²	22	45.6 Å²	45.6	13%	0.133	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	122.9	176.1	174.9	0	0	0	0	107.3	T305 M307 F333 V335 I411	T305-V314 HydrophobicContact CG2-CG1 4.3Å; T305-V314 HydrophobicContact CG2-CG2 3.88Å; M307-V314 HydrophobicContact CE-CG2 4.07Å; M307-V314 HydrophobicContact CG-CG2 3.65Å; M307-V314 HydrophobicContact SD-CB 4.25Å; M307-V314 HydrophobicContact SD-CG2 3.74Å; V314-F333 HydrophobicContact CG1-CE1 3.66Å; V314-F333 HydrophobicContact CG1-CZ 3.45Å; V314-F333 VanDerWaalsContact CG1-CZ 3.45Å; V314-V335 HydrophobicContact CG1-CG2 4.31Å; V314-I411 HydrophobicContact CB-CB 4.48Å; V314-I411 PolarHBondContact N-O 2.99Å; V314-I411 WeakPolarHBondContact O-CB 3.42Å; V314-I411 PolarHBondContact O-N 2.92Å
315	S	91.5	Very high	87.6	Confident	34 Å²	34	42.8 Å²	42.8	24%	0.238	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	130.5	178.8	-51.9	0	0	0	0	111.4	Y317 A409	S315-Y317 WeakPolarHBondContact CB-OH 3Å; S315-Y317 PolarHBondContact OG-OH 2.8Å; S315-A409 CarbonylContact C-O 3.5Å; S315-A409 VanDerWaalsContact CA-O 3.24Å; S315-A409 WeakPolarHBondContact CA-O 3.01Å
316	F	92.6	Very high	86.8	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	136.4	165.9	173.7	-90.8	0	0	0	109.9	I300 F333 L362 L393 I407 Q408 A409 I411	I300-F316 VanDerWaalsContact CD1-CA 3.44Å; I300-F316 HydrophobicContact CD1-CB 4.08Å; I300-F316 HydrophobicContact CD1-CD2 3.48Å; I300-F316 VanDerWaalsContact CD1-CD2 3.48Å; I300-F316 HydrophobicContact CD1-CE2 4.17Å; I300-F316 HydrophobicContact CD1-CG 4Å; F316-F333 HydrophobicContact CB-CD1 4.44Å; F316-F333 HydrophobicContact CD2-CB 3.73Å; F316-F333 AromaticContact CD2-CD1 3.94Å; F316-F333 HydrophobicContact CD2-CD1 3.94Å; F316-F333 HydrophobicContact CD2-CG 4.06Å; F316-F333 HydrophobicContact CE2-CB 3.9Å; F316-L362 HydrophobicContact CE1-CD1 4.05Å; F316-L362 HydrophobicContact CZ-CD1 4.08Å; F316-L393 HydrophobicContact CB-CD2 3.88Å; F316-L393 HydrophobicContact CD1-CD2 3.98Å; F316-L393 HydrophobicContact CD2-CB 4.14Å; F316-L393 HydrophobicContact CD2-CD2 3.99Å; F316-L393 HydrophobicContact CE2-CB 4.13Å; F316-L393 HydrophobicContact CG-CD2 3.67Å; F316-I407 HydrophobicContact CD1-CG2 4.08Å; F316-I407 HydrophobicContact CE1-CB 4.29Å; F316-I407 HydrophobicContact CE1-CD1 4.46Å; F316-I407 HydrophobicContact CE1-CG2 4.08Å; F316-Q408 WeakPolarHBondContact O-CA 3.44Å; F316-A409 HydrophobicContact CB-CB 4.27Å; F316-A409 HydrophobicContact CD1-CB 4.47Å; F316-A409 PolarHBondContact N-O 2.85Å; F316-A409 PolarHBondContact O-N 2.63Å; F316-I411 HydrophobicContact CB-CD1 4.44Å
317	Y	92.2	Very high	86	Confident	33 Å²	33	44.1 Å²	44.1	13%	0.129	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	146.3	174.9	-46.8	-88.9	0	0	0	110.2	K297 I300 S315 Y321 I407 Q408	K297-Y317 HydrophobicContact CB-CD2 4.1Å; K297-Y317 HydrophobicContact CB-CE2 4.39Å; K297-Y317 HydrophobicContact CB-CG 4.18Å; K297-Y317 HydrophobicContact CD-CE1 4.31Å; K297-Y317 HydrophobicContact CD-CE2 4.37Å; K297-Y317 HydrophobicContact CG-CD1 4.07Å; K297-Y317 HydrophobicContact CG-CD2 4.29Å; K297-Y317 HydrophobicContact CG-CE1 4.02Å; K297-Y317 HydrophobicContact CG-CE2 4.27Å; K297-Y317 HydrophobicContact CG-CG 4.19Å; I300-Y317 VanDerWaalsContact CD1-N 3.34Å; S315-Y317 WeakPolarHBondContact CB-OH 3Å; S315-Y317 PolarHBondContact OG-OH 2.8Å; Y317-Y321 AromaticContact CD1-CD1 3.41Å; Y317-Y321 HydrophobicContact CD1-CD1 3.41Å; Y317-Y321 VanDerWaalsContact CD1-CD1 3.41Å; Y317-Y321 HydrophobicContact CD1-CD2 4.41Å; Y317-Y321 AromaticContact CD1-CE1 3.65Å; Y317-Y321 HydrophobicContact CD1-CE1 3.65Å; Y317-Y321 AromaticContact CD1-CG 3.84Å; Y317-Y321 HydrophobicContact CD1-CG 3.84Å; Y317-Y321 HydrophobicContact CE1-CD1 4.05Å; Y317-Y321 AromaticContact CE1-CE1 3.95Å; Y317-Y321 HydrophobicContact CE1-CE1 3.95Å; Y317-Y321 HydrophobicContact CG-CD1 4.14Å; Y317-Y321 HydrophobicContact CG-CG 4.29Å; Y317-I407 VanDerWaalsContact CA-O 3.23Å; Y317-I407 WeakPolarHBondContact CA-O 2.96Å; Y317-Q408 HydrophobicContact CD1-CB 4.1Å; Y317-Q408 HydrophobicContact CD1-CG 3.82Å; Y317-Q408 HydrophobicContact CE1-CB 4.38Å; Y317-Q408 HydrophobicContact CE1-CG 3.62Å
318	T	90.1	Very high	85.3	Confident	5 Å²	5	48 Å²	48	3%	0.031	24%	0.242	C	C	.	.			trans	-61.7	159.7	164.8	42.2	0	0	0	0	111.2	Y321 Y395 R406 I407	T318-Y321 WeakPolarHBondContact O-CB 2.88Å; T318-Y321 PolarHBondContact O-N 2.75Å; T318-Y395 HydrophobicContact CG2-CD1 4.35Å; T318-Y395 HydrophobicContact CG2-CD2 4.32Å; T318-Y395 HydrophobicContact CG2-CE1 4.23Å; T318-Y395 HydrophobicContact CG2-CE2 4.21Å; T318-Y395 HydrophobicContact CG2-CG 4.38Å; T318-R406 WeakPolarHBondContact OG1-CA 3.12Å; T318-I407 HydrophobicContact CG2-CB 3.81Å; T318-I407 HydrophobicContact CG2-CD1 3.85Å; T318-I407 HydrophobicContact CG2-CG1 3.85Å; T318-I407 PolarHBondContact N-O 2.95Å; T318-I407 VanDerWaalsContact N-O 3.09Å; T318-I407 PolarHBondContact OG1-N 3.16Å
319	P	87.2	Confident	85.3	Confident	10 Å²	10	45.9 Å²	45.9	7%	0.065	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	145.6	170.2	-21.7	32.5	0	0	0	111.6	Y321 N325 K329 Y395	P319-Y321 PolarHBondContact O-N 3.43Å; P319-Y321 VanDerWaalsContact O-N 3.1Å; P319-N325 WeakPolarHBondContact O-CB 3.42Å; P319-K329 HydrophobicContact CG-CD 4.25Å; P319-Y395 HydrophobicContact CG-CE1 4.39Å
320	D	85.9	Confident	85.7	Confident	34 Å²	34	48.3 Å²	48.3	18%	0.182	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	0.8	180	-58.4	-44	0	0	0	117.3	R265 A323	R265-D320 HydrophobicContact CB-CB 4.38Å; R265-D320 WeakPolarHBondContact CD-OD1 3.06Å; R265-D320 IonicContact CZ-OD1 3.58Å; R265-D320 IonicContact NH1-OD1 2.75Å; R265-D320 PolarHBondContact NH1-OD1 2.85Å; D320-A323 HydrophobicContact CB-CB 4.32Å; D320-A323 WeakPolarHBondContact O-CA 3.39Å; D320-A323 WeakPolarHBondContact O-CB 2.98Å; D320-A323 PolarHBondContact O-N 3.47Å
321	Y	89.8	Confident	86.2	Confident	24 Å²	24	45.4 Å²	45.4	9%	0.094	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	137.1	177.3	-171.6	-82.5	0	0	0	113.3	K297 Y317 T318 P319 A323 D352 R406 I407 Q408	K297-Y321 HydrophobicContact CB-CD1 4.46Å; K297-Y321 HydrophobicContact CG-CD1 3.69Å; K297-Y321 HydrophobicContact CG-CE1 4.41Å; K297-Y321 PolarHBondContact N-O 2.77Å; Y317-Y321 AromaticContact CD1-CD1 3.41Å; Y317-Y321 HydrophobicContact CD1-CD1 3.41Å; Y317-Y321 VanDerWaalsContact CD1-CD1 3.41Å; Y317-Y321 HydrophobicContact CD1-CD2 4.41Å; Y317-Y321 AromaticContact CD1-CE1 3.65Å; Y317-Y321 HydrophobicContact CD1-CE1 3.65Å; Y317-Y321 AromaticContact CD1-CG 3.84Å; Y317-Y321 HydrophobicContact CD1-CG 3.84Å; Y317-Y321 HydrophobicContact CE1-CD1 4.05Å; Y317-Y321 AromaticContact CE1-CE1 3.95Å; Y317-Y321 HydrophobicContact CE1-CE1 3.95Å; Y317-Y321 HydrophobicContact CG-CD1 4.14Å; Y317-Y321 HydrophobicContact CG-CG 4.29Å; T318-Y321 WeakPolarHBondContact O-CB 2.88Å; T318-Y321 PolarHBondContact O-N 2.75Å; P319-Y321 PolarHBondContact O-N 3.43Å; P319-Y321 VanDerWaalsContact O-N 3.1Å; Y321-A323 VanDerWaalsContact C-N 3.35Å; Y321-D352 WeakPolarHBondContact CE2-OD2 3.27Å; Y321-R406 HydrophobicContact CD2-CG 3.67Å; Y321-R406 HydrophobicContact CE2-CG 3.67Å; Y321-I407 WeakPolarHBondContact CD2-O 3.28Å; Y321-Q408 HydrophobicContact CE1-CB 4.36Å; Y321-Q408 HydrophobicContact CE2-CB 3.76Å; Y321-Q408 WeakPolarHBondContact OH-CB 3.3Å; Y321-Q408 PolarHBondContact OH-OE1 2.78Å
322	P	89.1	Confident	86.8	Confident	15 Å²	15	38.5 Å²	38.5	10%	0.097	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	cis	-81.8	6.1	5.6	30.4	-34.3	0	0	0	115.8	V215 L217 L263 A294 R406	V215-P322 HydrophobicContact CB-CG 4.19Å; V215-P322 HydrophobicContact CG1-CG 3.94Å; V215-P322 HydrophobicContact CG2-CG 4.4Å; L217-P322 HydrophobicContact CD2-CB 4.45Å; L263-P322 WeakPolarHBondContact CD2-O 3.44Å; A294-P322 HydrophobicContact CB-CG 3.65Å; P322-R406 WeakPolarHBondContact O-CD 2.96Å
323	A	88	Confident	87.2	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	-71.1	164	172.7	0	0	0	0	0	111.6	V215 I264 R265 D320 Y321 N325	V215-A323 HydrophobicContact CG1-CB 3.85Å; V215-A323 HydrophobicContact CG2-CB 4.49Å; I264-A323 VanDerWaalsContact C-CB 3.5Å; R265-A323 HydrophobicContact CB-CB 3.61Å; D320-A323 HydrophobicContact CB-CB 4.32Å; D320-A323 WeakPolarHBondContact O-CA 3.39Å; D320-A323 WeakPolarHBondContact O-CB 2.98Å; D320-A323 PolarHBondContact O-N 3.47Å; Y321-A323 VanDerWaalsContact C-N 3.35Å; A323-N325 PolarHBondContact O-N 2.93Å
324	F	85.3	Confident	87.4	Confident	39 Å²	39	33.5 Å²	33.5	17%	0.171	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-61.8	131.2	167.7	-66.7	-44.4	0	0	0	110.7	E261 L263 R326 G404	E261-F324 HydrophobicContact CG-CZ 4.38Å; L263-F324 HydrophobicContact CB-CD1 4.48Å; L263-F324 HydrophobicContact CB-CD2 3.9Å; L263-F324 HydrophobicContact CB-CE1 4.48Å; L263-F324 HydrophobicContact CB-CE2 3.9Å; L263-F324 HydrophobicContact CB-CG 4.21Å; L263-F324 HydrophobicContact CB-CZ 4.2Å; L263-F324 HydrophobicContact CD1-CE1 4.44Å; L263-F324 HydrophobicContact CD1-CE2 3.98Å; L263-F324 HydrophobicContact CD1-CZ 3.77Å; L263-F324 HydrophobicContact CG-CZ 4.45Å; L263-F324 WeakPolarHBondContact O-CD2 3.16Å; L263-F324 PolarHBondContact O-N 2.91Å; F324-R326 PolarHBondContact O-N 3.04Å; F324-G404 WeakPolarHBondContact CD1-O 3.47Å; F324-G404 WeakPolarHBondContact CE1-O 3.48Å
325	N	82.8	Confident	87.5	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-63.8	123.1	169.8	172.1	38.7	0	0	0	108.6	P319 A323 Q327 Y395 I403 D405	P319-N325 WeakPolarHBondContact O-CB 3.42Å; A323-N325 PolarHBondContact O-N 2.93Å; N325-Q327 PolarHBondContact ND2-O 2.02Å; N325-Q327 PolarHBondContact OD1-N 2.88Å; N325-Q327 VanDerWaalsContact OD1-N 3.1Å; N325-Q327 PolarHBondContact OD1-O 3.45Å; N325-Y395 PolarHBondContact ND2-OH 3.26Å; N325-I403 HydrophobicContact CB-CG2 4.39Å; N325-I403 CarbonylContact O-C 3.56Å; N325-I403 WeakPolarHBondContact O-CB 3.08Å; N325-I403 WeakPolarHBondContact O-CG2 3.25Å; N325-D405 HydrophobicContact CB-CB 4.41Å; N325-D405 PolarHBondContact N-O 3.05Å; N325-D405 VanDerWaalsContact N-O 3.11Å
326	R	73.8	Confident	87.4	Confident	98 Å²	98	34.3 Å²	34.3	37%	0.37	17%	0.167	S	C	.	.			trans	-102.4	1.4	178.6	-66.8	-179	177.7	-177.2	-4.7	114.3	E247 F324	E247-R326 IonicContact OE2-NH1 2.77Å; F324-R326 PolarHBondContact O-N 3.04Å
327	Q	74	Confident	87	Confident	85 Å²	85	35.6 Å²	35.6	40%	0.397	17%	0.172	S	C	.	.	S	Bend	trans	-111.4	132.3	-170.3	-62.1	-179.5	1.8	0	0	111.5	N325 K329 I403	N325-Q327 PolarHBondContact ND2-O 2.02Å; N325-Q327 PolarHBondContact OD1-N 2.88Å; N325-Q327 VanDerWaalsContact OD1-N 3.1Å; N325-Q327 PolarHBondContact OD1-O 3.45Å; Q327-K329 HydrophobicContact CB-CB 4.39Å; Q327-K329 PolarHBondContact O-N 3.21Å; Q327-I403 VanDerWaalsContact C-CD1 3.45Å
328	N	75.6	Confident	86.2	Confident	85 Å²	85	38.2 Å²	38.2	46%	0.455	18%	0.184	S	C	.	.			trans	-63.1	103.9	162	-82.8	-37.2	0	0	0	108.3	A397 K398 G399 I403	N328-A397 PolarHBondContact OD1-O 2.88Å; N328-K398 WeakPolarHBondContact OD1-CA 3.28Å; N328-G399 PolarHBondContact ND2-O 3.36Å; N328-G399 PolarHBondContact OD1-N 3.3Å; N328-G399 PolarHBondContact OD1-O 2.83Å; N328-G399 VanDerWaalsContact OD1-O 3.09Å; N328-I403 WeakPolarHBondContact OD1-CD1 3.38Å
329	K	80.8	Confident	85.1	Confident	72 Å²	72	40.9 Å²	40.9	31%	0.313	21%	0.207	S	C	.	.			trans	-149.7	136.5	-171.8	-167.7	166.9	178.4	171.9	0	110.6	P319 Q327 A397	P319-K329 HydrophobicContact CG-CD 4.25Å; Q327-K329 HydrophobicContact CB-CB 4.39Å; Q327-K329 PolarHBondContact O-N 3.21Å; K329-A397 PolarHBondContact O-N 2.98Å
330	V	88.9	Confident	83.8	Confident	83 Å²	83	51.5 Å²	51.5	50%	0.503	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	118.1	165.7	-177.7	0	0	0	0	107.7	K394 Y395	V330-K394 HydrophobicContact CG1-CG 4.31Å; V330-Y395 CarbonylContact C-O 3.51Å; V330-Y395 WeakPolarHBondContact CA-O 3.29Å
331	C	90.9	Very high	82.9	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	111.3	177.6	-173.1	0	0	0	0	109.1	C301 K394 Y395	C301-C331 WeakPolarHBondContact CA-SG 3.44Å; C301-C331 HydrophobicContact CB-CB 3.97Å; C301-C331 WeakPolarHBondContact CB-SG 3.39Å; C301-C331 WeakPolarHBondContact SG-CB 3.42Å; C301-C331 CovalentContact SG-SG 2.04Å; C301-C331 PolarHBondContact SG-SG 3.03Å; C331-K394 WeakPolarHBondContact O-CA 3.11Å; C331-Y395 HydrophobicContact CB-CD1 3.88Å; C331-Y395 PolarHBondContact N-O 2.92Å; C331-Y395 PolarHBondContact O-N 2.85Å
332	T	94.3	Very high	81.8	Confident	48 Å²	48	58.8 Å²	58.8	29%	0.294	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	130	173.8	-54.7	0	0	0	0	109.7	G302 L393	G302-T332 WeakPolarHBondContact CA-O 3.33Å; G302-T332 PolarHBondContact N-O 3.38Å; T332-L393 CarbonylContact C-O 3.58Å; T332-L393 WeakPolarHBondContact CA-O 3.48Å
333	F	95	Very high	81.3	Confident	2 Å²	2	59.1 Å²	59.1	1%	0.009	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	132.1	176.3	-179.8	-114.7	0	0	0	109.3	I300 R303 V314 F316 V335 Q392 L393 I411	I300-F333 HydrophobicContact CB-CD2 4.03Å; I300-F333 HydrophobicContact CB-CE2 4.14Å; I300-F333 HydrophobicContact CD1-CD1 4.43Å; I300-F333 HydrophobicContact CD1-CD2 4.16Å; I300-F333 HydrophobicContact CD1-CE2 4.45Å; I300-F333 HydrophobicContact CD1-CG 4.14Å; I300-F333 HydrophobicContact CG1-CD2 4.36Å; I300-F333 WeakPolarHBondContact O-CD2 3.34Å; R303-F333 HydrophobicContact CB-CD2 4.15Å; R303-F333 HydrophobicContact CB-CE2 4.11Å; R303-F333 HydrophobicContact CG-CE2 4.38Å; R303-F333 WeakPolarHBondContact O-CD2 3.3Å; V314-F333 HydrophobicContact CG1-CE1 3.66Å; V314-F333 HydrophobicContact CG1-CZ 3.45Å; V314-F333 VanDerWaalsContact CG1-CZ 3.45Å; F316-F333 HydrophobicContact CB-CD1 4.44Å; F316-F333 HydrophobicContact CD2-CB 3.73Å; F316-F333 AromaticContact CD2-CD1 3.94Å; F316-F333 HydrophobicContact CD2-CD1 3.94Å; F316-F333 HydrophobicContact CD2-CG 4.06Å; F316-F333 HydrophobicContact CE2-CB 3.9Å; F333-V335 HydrophobicContact CD1-CG2 3.93Å; F333-V335 HydrophobicContact CE1-CG2 3.3Å; F333-V335 HydrophobicContact CZ-CG2 4Å; F333-Q392 WeakPolarHBondContact O-CA 3.06Å; F333-L393 PolarHBondContact N-O 2.72Å; F333-L393 PolarHBondContact O-N 2.87Å; F333-I411 HydrophobicContact CD1-CD1 4.42Å; F333-I411 HydrophobicContact CE1-CD1 4.14Å
334	T	95.4	Very high	80.9	Confident	14 Å²	14	59.4 Å²	59.4	9%	0.086	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	128.6	-179.9	-57.4	0	0	0	0	110.4	R303 T304 T305 K336 K390 L391 Q392	R303-T334 PolarHBondContact O-N 3.06Å; R303-T334 VanDerWaalsContact O-N 3.08Å; T304-T334 CarbonylContact C-O 3.59Å; T304-T334 VanDerWaalsContact CA-O 3.26Å; T304-T334 WeakPolarHBondContact CA-O 3.37Å; T304-T334 HydrophobicContact CG2-CG2 4.24Å; T305-T334 PolarHBondContact N-O 3.22Å; T334-K336 HydrophobicContact CG2-CG 3.98Å; T334-K390 HydrophobicContact CG2-CB 4.43Å; T334-L391 WeakPolarHBondContact CA-O 2.99Å; T334-Q392 HydrophobicContact CG2-CG 4Å
335	V	94	Very high	80.9	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	126.5	168.6	-175.5	0	0	0	0	108.2	T305 M307 V314 F333 F346 K390 L391 I411	T305-V335 CarbonylContact O-C 3.57Å; T305-V335 WeakPolarHBondContact O-CA 3.41Å; M307-V335 HydrophobicContact CG-CG1 3.75Å; M307-V335 HydrophobicContact SD-CG1 3.48Å; M307-V335 WeakPolarHBondContact SD-CG1 3.42Å; V314-V335 HydrophobicContact CG1-CG2 4.31Å; F333-V335 HydrophobicContact CD1-CG2 3.93Å; F333-V335 HydrophobicContact CE1-CG2 3.3Å; F333-V335 HydrophobicContact CZ-CG2 4Å; V335-F346 HydrophobicContact CB-CE1 4.41Å; V335-F346 HydrophobicContact CG1-CD1 4.24Å; V335-F346 HydrophobicContact CG1-CE1 3.72Å; V335-K390 CarbonylContact O-C 3.52Å; V335-K390 VanDerWaalsContact O-CA 3.29Å; V335-K390 WeakPolarHBondContact O-CA 3.38Å; V335-L391 HydrophobicContact CB-CB 4.44Å; V335-L391 PolarHBondContact N-O 3.02Å; V335-L391 PolarHBondContact O-N 3.31Å; V335-I411 HydrophobicContact CG1-CG2 4.43Å; V335-I411 HydrophobicContact CG2-CD1 3.63Å; V335-I411 HydrophobicContact CG2-CG2 4.43Å
336	K	90.4	Very high	81.3	Confident	73 Å²	73	57.5 Å²	57.5	32%	0.317	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	143.2	174.4	-64.7	-174.1	-178.6	177.8	0	110	T304 T305 Y306 M307 T334 F389 K390	T304-K336 HydrophobicContact CG2-CD 3.85Å; T304-K336 HydrophobicContact CG2-CG 3.98Å; T305-K336 PolarHBondContact O-N 3.45Å; Y306-K336 CarbonylContact C-O 3.41Å; Y306-K336 VanDerWaalsContact CA-O 3.23Å; Y306-K336 WeakPolarHBondContact CA-O 3.11Å; Y306-K336 HydrophobicContact CD1-CB 3.69Å; Y306-K336 HydrophobicContact CE1-CB 3.74Å; Y306-K336 HydrophobicContact CE1-CD 3.72Å; Y306-K336 HydrophobicContact CE1-CG 4.31Å; M307-K336 PolarHBondContact N-O 3.25Å; T334-K336 HydrophobicContact CG2-CG 3.98Å; K336-F389 CarbonylContact C-O 3.53Å; K336-F389 WeakPolarHBondContact CA-O 3.16Å; K336-K390 HydrophobicContact CG-CB 4.02Å
337	R	84.1	Confident	82.1	Confident	28 Å²	28	54.7 Å²	54.7	11%	0.106	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	138.7	167.5	-171.8	176.2	69.5	-134.2	10.6	108.6	T341 Y343 N344 F346 F389 L413	R337-T341 WeakPolarHBondContact CD-OG1 3.38Å; R337-T341 WeakPolarHBondContact CG-OG1 3.41Å; R337-Y343 WeakPolarHBondContact CD-O 3.03Å; R337-Y343 PolarHBondContact NE-O 3Å; R337-Y343 PolarHBondContact NH1-O 3.46Å; R337-N344 VanDerWaalsContact NH1-CA 3.29Å; R337-F346 HydrophobicContact CB-CZ 4.09Å; R337-F389 PolarHBondContact N-O 2.81Å; R337-L413 HydrophobicContact CB-CD2 4.41Å; R337-L413 HydrophobicContact CG-CD1 4.47Å; R337-L413 HydrophobicContact CG-CD2 4.15Å
338	K	75.6	Confident	83	Confident	87 Å²	87	50.7 Å²	50.7	38%	0.378	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-65.7	142.8	168.6	-71	-151.7	-166.8	170.3	0	110.3	M307 Q308 T341	M307-K338 PolarHBondContact O-N 2.85Å; Q308-K338 VanDerWaalsContact CD-CE 3.42Å; Q308-K338 HydrophobicContact CG-CB 4.12Å; Q308-K338 HydrophobicContact CG-CD 3.45Å; Q308-K338 VanDerWaalsContact CG-CD 3.45Å; Q308-K338 HydrophobicContact CG-CG 3.68Å; K338-T341 HydrophobicContact CB-CG2 4.29Å; K338-T341 WeakPolarHBondContact O-CG2 3.34Å; K338-T341 PolarHBondContact O-OG1 2.87Å
339	A	66.7	Low	83.7	Confident	61 Å²	61	50.1 Å²	50.1	50%	0.504	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	153.5	174.3	0	0	0	0	0	110.9	T341	A339-T341 VanDerWaalsContact C-N 3.34Å; A339-T341 PolarHBondContact O-N 2.82Å
340	Y	59.1	Low	84.1	Confident	234 Å²	234	46.7 Å²	46.7	92%	0.918	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.3	29.1	177.1	-44.4	-77.1	0	0	0	115.8
341	T	68.1	Low	84.2	Confident	40 Å²	40	44.7 Å²	44.7	25%	0.245	20%	0.204	C	C	.	.			trans	-101.6	151.7	172	57.8	0	0	0	0	111.1	R337 K338 A339 Y343	R337-T341 WeakPolarHBondContact CD-OG1 3.38Å; R337-T341 WeakPolarHBondContact CG-OG1 3.41Å; K338-T341 HydrophobicContact CB-CG2 4.29Å; K338-T341 WeakPolarHBondContact O-CG2 3.34Å; K338-T341 PolarHBondContact O-OG1 2.87Å; A339-T341 VanDerWaalsContact C-N 3.34Å; A339-T341 PolarHBondContact O-N 2.82Å; T341-Y343 PolarHBondContact O-N 2.91Å
342	R	67.1	Low	84	Confident	170 Å²	170	45.8 Å²	45.8	64%	0.642	21%	0.21	S	C	*	.	S	Bend	trans	-72.2	-10.3	177.8	71.8	169.1	-163.9	-160.1	1.3	114.8	D310 T415	D310-R342 IonicContact OD2-NH2 2.97Å; D310-R342 PolarHBondContact OD2-NH2 2.63Å; R342-T415 PolarHBondContact O-OG1 3.05Å
343	Y	78.1	Confident	83.7	Confident	23 Å²	23	43.9 Å²	43.9	9%	0.09	20%	0.198	C	C	.	.			trans	-81.5	146.5	-176.3	-51.2	-75.2	0	0	0	109.5	Q308 D310 R337 T341 L413 T415	Q308-Y343 WeakPolarHBondContact O-CE2 3.37Å; D310-Y343 HydrophobicContact CB-CD1 4.3Å; D310-Y343 HydrophobicContact CB-CE1 3.59Å; D310-Y343 PolarHBondContact OD1-OH 2.83Å; R337-Y343 WeakPolarHBondContact CD-O 3.03Å; R337-Y343 PolarHBondContact NE-O 3Å; R337-Y343 PolarHBondContact NH1-O 3.46Å; T341-Y343 PolarHBondContact O-N 2.91Å; Y343-L413 HydrophobicContact CD1-CB 4.09Å; Y343-L413 HydrophobicContact CD2-CB 4.42Å; Y343-L413 HydrophobicContact CD2-CD1 3.78Å; Y343-L413 HydrophobicContact CE2-CD1 4.48Å; Y343-L413 HydrophobicContact CG-CB 3.89Å; Y343-L413 HydrophobicContact CG-CD1 4.02Å; Y343-L413 HydrophobicContact CG-CG 4.48Å; Y343-T415 WeakPolarHBondContact CD1-OG1 3.34Å
344	N	78.5	Confident	83.2	Confident	5 Å²	5	45.7 Å²	45.7	3%	0.027	21%	0.208	C	C	.	.			trans	-138.5	-4.6	-169.2	52.4	25.8	0	0	0	114.6	R337 L414 L416 L419	R337-N344 VanDerWaalsContact NH1-CA 3.29Å; N344-L414 PolarHBondContact N-O 3.38Å; N344-L414 PolarHBondContact OD1-O 2.84Å; N344-L416 PolarHBondContact ND2-O 2.84Å; N344-L416 WeakPolarHBondContact OD1-CB 3.38Å; N344-L416 PolarHBondContact OD1-N 3.21Å; N344-L416 PolarHBondContact OD1-O 3.37Å; N344-L419 HydrophobicContact CB-CB 4.33Å; N344-L419 HydrophobicContact CB-CD2 3.29Å; N344-L419 HydrophobicContact CB-CG 3.44Å; N344-L419 VanDerWaalsContact CB-CG 3.44Å; N344-L419 VanDerWaalsContact ND2-CA 3.31Å; N344-L419 WeakPolarHBondContact ND2-CA 3.4Å; N344-L419 WeakPolarHBondContact ND2-CG 3.02Å; N344-L419 PolarHBondContact ND2-N 2.85Å
345	A	86.1	Confident	82.8	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	164.3	178.5	0	0	0	0	0	111.5	I384 Y385 L414 L416	A345-I384 HydrophobicContact CB-CG2 4.32Å; A345-Y385 WeakPolarHBondContact CA-O 3.22Å; A345-Y385 WeakPolarHBondContact CB-O 3.25Å; A345-L414 HydrophobicContact CB-CB 4.37Å; A345-L414 PolarHBondContact N-O 2.95Å; A345-L414 PolarHBondContact O-N 3Å; A345-L416 HydrophobicContact CB-CD1 3.35Å; A345-L416 HydrophobicContact CB-CG 3.63Å
346	F	90.5	Very high	82.1	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	132.9	171.2	-60	-86.6	0	0	0	109.6	V335 R337 I384 Y385 L391 I411 R412 L413	V335-F346 HydrophobicContact CB-CE1 4.41Å; V335-F346 HydrophobicContact CG1-CD1 4.24Å; V335-F346 HydrophobicContact CG1-CE1 3.72Å; R337-F346 HydrophobicContact CB-CZ 4.09Å; F346-I384 WeakPolarHBondContact O-CA 3.13Å; F346-Y385 PolarHBondContact N-O 3.4Å; F346-Y385 PolarHBondContact O-N 3.21Å; F346-L391 HydrophobicContact CB-CB 4.49Å; F346-L391 HydrophobicContact CB-CD1 4.46Å; F346-L391 HydrophobicContact CB-CD2 3.86Å; F346-L391 HydrophobicContact CD1-CB 4.34Å; F346-L391 HydrophobicContact CD1-CD2 4.48Å; F346-L391 HydrophobicContact CD2-CB 3.79Å; F346-L391 HydrophobicContact CE2-CB 4.02Å; F346-L391 HydrophobicContact CG-CB 3.95Å; F346-L391 HydrophobicContact CG-CD2 4.11Å; F346-L391 HydrophobicContact CG-CG 4.48Å; F346-L391 HydrophobicContact CZ-CB 4.39Å; F346-I411 HydrophobicContact CB-CG2 4.41Å; F346-I411 HydrophobicContact CD1-CG2 4.06Å; F346-R412 WeakPolarHBondContact CA-O 3.41Å; F346-L413 HydrophobicContact CD1-CD2 3.88Å; F346-L413 HydrophobicContact CE1-CD2 3.59Å; F346-L413 HydrophobicContact CZ-CD2 4.29Å
347	E	90.7	Very high	81.2	Confident	39 Å²	39	49 Å²	49	18%	0.182	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	126.6	163.6	-177.2	-179.1	-152.3	0	0	108.4	S382 I411 R412 L414	E347-S382 PolarHBondContact OE1-OG 3Å; E347-I411 CarbonylContact O-C 3.52Å; E347-I411 VanDerWaalsContact O-CA 3.25Å; E347-I411 WeakPolarHBondContact O-CA 3.42Å; E347-R412 HydrophobicContact CB-CB 4.42Å; E347-R412 PolarHBondContact N-O 3.42Å; E347-R412 PolarHBondContact O-N 2.9Å; E347-L414 HydrophobicContact CB-CD1 3.71Å; E347-L414 HydrophobicContact CB-CD2 4.45Å; E347-L414 HydrophobicContact CB-CG 3.86Å; E347-L414 HydrophobicContact CG-CD1 4.43Å
348	V	92.5	Very high	80.7	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	110.4	171.1	-174.4	0	0	0	0	107.9	F350 I364 S382 F383 Y385 L391 A409 I411	V348-F350 HydrophobicContact CG1-CE2 4.21Å; V348-F350 HydrophobicContact CG1-CZ 4.14Å; V348-I364 HydrophobicContact CB-CD1 4.48Å; V348-I364 HydrophobicContact CG1-CD1 3.98Å; V348-I364 HydrophobicContact CG2-CD1 4.45Å; V348-S382 CarbonylContact O-C 3.59Å; V348-S382 VanDerWaalsContact O-CA 3.27Å; V348-S382 WeakPolarHBondContact O-CA 3.24Å; V348-F383 PolarHBondContact N-O 3.31Å; V348-F383 PolarHBondContact O-N 3.09Å; V348-Y385 HydrophobicContact CB-CE2 4.35Å; V348-Y385 HydrophobicContact CG2-CD2 3.91Å; V348-Y385 HydrophobicContact CG2-CE2 3.89Å; V348-L391 HydrophobicContact CG2-CD2 3.61Å; V348-A409 HydrophobicContact CG1-CB 3.94Å; V348-I411 HydrophobicContact CG2-CG1 4.4Å
349	R	90.9	Very high	80.8	Confident	73 Å²	73	49.7 Å²	49.7	28%	0.275	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	125	178.3	-174.5	175.4	71.4	149.1	2.4	110.5	L381 A409 E410	R349-L381 CarbonylContact C-O 3.53Å; R349-L381 WeakPolarHBondContact CA-O 3.31Å; R349-A409 CarbonylContact O-C 3.55Å; R349-A409 VanDerWaalsContact O-CA 3.24Å; R349-A409 WeakPolarHBondContact O-CA 3.41Å; R349-E410 IonicContact CZ-OE2 3.76Å; R349-E410 PolarHBondContact N-O 2.75Å; R349-E410 IonicContact NE-OE2 3.71Å; R349-E410 IonicContact NH2-OE2 2.66Å; R349-E410 PolarHBondContact NH2-OE2 2.87Å; R349-E410 PolarHBondContact O-N 2.69Å
350	F	90.2	Very high	81.9	Confident	1 Å²	1	47 Å²	47	0%	0.004	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	115.8	176.7	-67.1	-78.7	0	0	0	110.4	V348 F353 L362 I364 N380 L381 F383 I407 A409	V348-F350 HydrophobicContact CG1-CE2 4.21Å; V348-F350 HydrophobicContact CG1-CZ 4.14Å; F350-F353 HydrophobicContact CB-CB 4.39Å; F350-F353 HydrophobicContact CD1-CB 4.33Å; F350-F353 AromaticContact CD1-CD2 3.69Å; F350-F353 HydrophobicContact CD1-CD2 3.69Å; F350-F353 HydrophobicContact CD1-CG 4.43Å; F350-F353 AromaticContact CE1-CD2 3.63Å; F350-F353 HydrophobicContact CE1-CD2 3.63Å; F350-F353 HydrophobicContact CE1-CE2 4.04Å; F350-F353 HydrophobicContact CG-CD2 4.32Å; F350-F353 HydrophobicContact CZ-CD2 4.21Å; F350-F353 HydrophobicContact CZ-CE2 4.31Å; F350-L362 HydrophobicContact CE1-CD2 3.59Å; F350-L362 HydrophobicContact CZ-CD2 3.65Å; F350-I364 HydrophobicContact CE2-CD1 4.46Å; F350-I364 HydrophobicContact CZ-CD1 3.88Å; F350-N380 VanDerWaalsContact O-CA 3.24Å; F350-N380 WeakPolarHBondContact O-CA 3.24Å; F350-N380 PolarHBondContact O-N 2.91Å; F350-L381 PolarHBondContact N-O 2.91Å; F350-F383 AromaticContact CD2-CD2 3.93Å; F350-F383 HydrophobicContact CD2-CD2 3.93Å; F350-F383 AromaticContact CD2-CE2 3.86Å; F350-F383 HydrophobicContact CD2-CE2 3.86Å; F350-F383 AromaticContact CE2-CD2 3.61Å; F350-F383 HydrophobicContact CE2-CD2 3.61Å; F350-F383 AromaticContact CE2-CE2 3.69Å; F350-F383 HydrophobicContact CE2-CE2 3.69Å; F350-I407 HydrophobicContact CD1-CG2 3.95Å; F350-I407 HydrophobicContact CE1-CG2 3.89Å; F350-A409 HydrophobicContact CD1-CB 3.72Å; F350-A409 HydrophobicContact CE1-CB 3.8Å
351	N	89.7	Confident	83.3	Confident	40 Å²	40	39.9 Å²	39.9	21%	0.214	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-25.9	170.8	-61.4	-21.8	0	0	0	110.7	Q408	N351-Q408 HydrophobicContact CB-CB 4.46Å; N351-Q408 HydrophobicContact CB-CG 4.15Å; N351-Q408 PolarHBondContact N-O 2.77Å; N351-Q408 PolarHBondContact ND2-NE2 3.47Å; N351-Q408 VanDerWaalsContact ND2-NE2 3.16Å
352	D	87.5	Confident	84.5	Confident	24 Å²	24	38 Å²	38	13%	0.128	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	133.4	179.6	176	43.3	0	0	0	109.5	Y321 R406 I407 Q408	Y321-D352 WeakPolarHBondContact CE2-OD2 3.27Å; D352-R406 VanDerWaalsContact CG-NE 3.35Å; D352-R406 IonicContact OD1-CZ 3.2Å; D352-R406 IonicContact OD1-NE 3.8Å; D352-R406 PolarHBondContact OD1-NE 3.08Å; D352-R406 IonicContact OD1-NH2 3.6Å; D352-R406 PolarHBondContact OD1-NH2 3.19Å; D352-R406 WeakPolarHBondContact OD2-CD 3.23Å; D352-R406 VanDerWaalsContact OD2-CG 3.22Å; D352-R406 WeakPolarHBondContact OD2-CG 2.96Å; D352-R406 IonicContact OD2-CZ 2.85Å; D352-R406 IonicContact OD2-NE 3.47Å; D352-R406 PolarHBondContact OD2-NE 3.07Å; D352-R406 IonicContact OD2-NH2 3.79Å; D352-I407 CarbonylContact O-C 3.57Å; D352-I407 WeakPolarHBondContact O-CA 3.3Å; D352-Q408 HydrophobicContact CB-CB 4.05Å; D352-Q408 PolarHBondContact N-O 3.18Å; D352-Q408 PolarHBondContact O-N 3.26Å
353	F	88.2	Confident	85.7	Confident	7 Å²	7	32.8 Å²	32.8	3%	0.031	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	105.6	-177.6	-172.9	-85	0	0	0	111	F350 L355 L362 F373 G375 M377 I407	F350-F353 HydrophobicContact CB-CB 4.39Å; F350-F353 HydrophobicContact CD1-CB 4.33Å; F350-F353 AromaticContact CD1-CD2 3.69Å; F350-F353 HydrophobicContact CD1-CD2 3.69Å; F350-F353 HydrophobicContact CD1-CG 4.43Å; F350-F353 AromaticContact CE1-CD2 3.63Å; F350-F353 HydrophobicContact CE1-CD2 3.63Å; F350-F353 HydrophobicContact CE1-CE2 4.04Å; F350-F353 HydrophobicContact CG-CD2 4.32Å; F350-F353 HydrophobicContact CZ-CD2 4.21Å; F350-F353 HydrophobicContact CZ-CE2 4.31Å; F353-L355 HydrophobicContact CE1-CD1 4.36Å; F353-L355 HydrophobicContact CE1-CG 4.32Å; F353-L355 HydrophobicContact CE2-CD1 4.09Å; F353-L355 HydrophobicContact CE2-CG 4.39Å; F353-L355 HydrophobicContact CZ-CD1 3.64Å; F353-L355 HydrophobicContact CZ-CG 3.99Å; F353-L362 HydrophobicContact CE2-CB 4.29Å; F353-L362 HydrophobicContact CE2-CD2 3.97Å; F353-F373 HydrophobicContact CE1-CB 4.45Å; F353-F373 HydrophobicContact CE2-CB 4.01Å; F353-F373 HydrophobicContact CZ-CB 3.52Å; F353-G375 WeakPolarHBondContact CD1-O 3.28Å; F353-G375 WeakPolarHBondContact CE1-O 3.45Å; F353-M377 HydrophobicContact CB-CB 4.09Å; F353-M377 HydrophobicContact CD1-CB 3.66Å; F353-M377 HydrophobicContact CD1-CG 3.5Å; F353-M377 HydrophobicContact CD1-SD 3.9Å; F353-M377 HydrophobicContact CE1-CB 4.44Å; F353-M377 HydrophobicContact CE1-CE 4.41Å; F353-M377 HydrophobicContact CE1-CG 3.79Å; F353-M377 HydrophobicContact CE1-SD 3.98Å; F353-M377 HydrophobicContact CG-CB 4.1Å; F353-M377 HydrophobicContact CG-CG 4.21Å; F353-M377 HydrophobicContact CG-SD 4.2Å; F353-M377 HydrophobicContact CZ-SD 4.35Å; F353-M377 PolarHBondContact O-N 3.13Å; F353-I407 HydrophobicContact CD2-CD1 4.36Å; F353-I407 HydrophobicContact CD2-CG1 3.97Å; F353-I407 HydrophobicContact CD2-CG2 4.16Å; F353-I407 HydrophobicContact CE2-CD1 4.13Å; F353-I407 HydrophobicContact CE2-CG1 4.23Å
354	N	84.9	Confident	86.5	Confident	41 Å²	41	31.7 Å²	31.7	22%	0.219	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	111.9	174	-173.1	-11.4	0	0	0	108.8	M376 D405 R406	N354-M376 HydrophobicContact CB-CG 4.47Å; N354-D405 CarbonylContact O-C 3.58Å; N354-D405 WeakPolarHBondContact O-CA 3.39Å; N354-R406 PolarHBondContact N-O 3.38Å; N354-R406 PolarHBondContact O-N 2.79Å
355	L	84.9	Confident	87.1	Confident	3 Å²	3	33 Å²	33	2%	0.016	18%	0.179	C	C	.	.			trans	-124.1	140.3	175	-71.7	-174.1	0	0	0	110.3	F353 T357 L362 G375 Y395 D405 I407	F353-L355 HydrophobicContact CE1-CD1 4.36Å; F353-L355 HydrophobicContact CE1-CG 4.32Å; F353-L355 HydrophobicContact CE2-CD1 4.09Å; F353-L355 HydrophobicContact CE2-CG 4.39Å; F353-L355 HydrophobicContact CZ-CD1 3.64Å; F353-L355 HydrophobicContact CZ-CG 3.99Å; L355-T357 PolarHBondContact O-N 2.85Å; L355-L362 HydrophobicContact CD1-CB 3.99Å; L355-G375 PolarHBondContact N-O 3.44Å; L355-G375 CarbonylContact O-C 3.54Å; L355-G375 WeakPolarHBondContact O-CA 3.49Å; L355-G375 PolarHBondContact O-N 2.59Å; L355-Y395 HydrophobicContact CD2-CD2 4.06Å; L355-Y395 HydrophobicContact CD2-CE2 3.6Å; L355-D405 HydrophobicContact CD2-CB 3.74Å; L355-I407 HydrophobicContact CD1-CD1 3.99Å; L355-I407 HydrophobicContact CD2-CD1 3.58Å; L355-I407 HydrophobicContact CD2-CG1 3.98Å; L355-I407 HydrophobicContact CG-CD1 3.89Å; L355-I407 HydrophobicContact CG-CG1 4.23Å
356	N	79.6	Confident	87.2	Confident	51 Å²	51	33.1 Å²	33.1	27%	0.273	18%	0.18	S	C	.	.			trans	-66.4	115.8	169.4	-173.9	-8.3	0	0	0	110.8	S358 S359 S360 D405	N356-S358 PolarHBondContact O-N 2.85Å; N356-S358 PolarHBondContact OD1-N 2.72Å; N356-S358 PolarHBondContact OD1-OG 3.12Å; N356-S358 VanDerWaalsContact OD1-OG 3.11Å; N356-S359 WeakPolarHBondContact CB-OG 3.48Å; N356-S359 VanDerWaalsContact CG-OG 3.3Å; N356-S359 PolarHBondContact ND2-OG 3.38Å; N356-S359 PolarHBondContact O-N 3.4Å; N356-S360 WeakPolarHBondContact O-CB 2.89Å; N356-S360 PolarHBondContact O-N 2.74Å; N356-D405 PolarHBondContact N-OD1 2.96Å
357	T	72.7	Confident	86.7	Confident	103 Å²	103	35 Å²	35	63%	0.632	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-30	-174.6	52	0	0	0	0	114.1	L355	L355-T357 PolarHBondContact O-N 2.85Å
358	S	72.7	Confident	86	Confident	107 Å²	107	41.5 Å²	41.5	75%	0.748	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-20.4	-174.5	55.9	0	0	0	0	114.4	N356	N356-S358 PolarHBondContact O-N 2.85Å; N356-S358 PolarHBondContact OD1-N 2.72Å; N356-S358 PolarHBondContact OD1-OG 3.12Å; N356-S358 VanDerWaalsContact OD1-OG 3.11Å
359	S	79.1	Confident	85.4	Confident	21 Å²	21	46.5 Å²	46.5	15%	0.147	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.7	-16.9	-167.5	55.2	0	0	0	0	114.5	N356 K398	N356-S359 WeakPolarHBondContact CB-OG 3.48Å; N356-S359 VanDerWaalsContact CG-OG 3.3Å; N356-S359 PolarHBondContact ND2-OG 3.38Å; N356-S359 PolarHBondContact O-N 3.4Å; S359-K398 WeakPolarHBondContact CB-O 3.26Å; S359-K398 PolarHBondContact O-N 2.04Å
360	S	88.3	Confident	85.2	Confident	4 Å²	4	45.5 Å²	45.5	3%	0.028	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	137.2	-164.5	-57.8	0	0	0	0	112.5	N356 S396 A397 D405	N356-S360 WeakPolarHBondContact O-CB 2.89Å; N356-S360 PolarHBondContact O-N 2.74Å; S360-S396 VanDerWaalsContact CA-O 3.3Å; S360-S396 WeakPolarHBondContact CA-O 3.19Å; S360-A397 WeakPolarHBondContact OG-CB 3.47Å; S360-D405 WeakPolarHBondContact CB-OD2 3.04Å; S360-D405 PolarHBondContact OG-OD1 3.28Å; S360-D405 PolarHBondContact OG-OD2 2.98Å
361	Y	90.1	Very high	85	Confident	85 Å²	85	47.4 Å²	47.4	33%	0.333	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	152.1	176.9	68.7	-88.1	0	0	0	111.9	M363 T372 F373 Y395 S396	Y361-M363 HydrophobicContact CD2-CB 4.27Å; Y361-M363 HydrophobicContact CE2-CB 4.2Å; Y361-T372 HydrophobicContact CD2-CG2 3.85Å; Y361-T372 HydrophobicContact CG-CG2 4.22Å; Y361-F373 CarbonylContact C-O 3.58Å; Y361-F373 WeakPolarHBondContact CA-O 2.99Å; Y361-Y395 WeakPolarHBondContact O-CA 3.34Å; Y361-S396 PolarHBondContact N-O 2.94Å; Y361-S396 PolarHBondContact O-N 3.25Å
362	L	92	Very high	85	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	120.1	168.6	177.5	72.4	0	0	0	108.8	F316 F350 F353 L355 I364 T372 F373 L393 I407	F316-L362 HydrophobicContact CE1-CD1 4.05Å; F316-L362 HydrophobicContact CZ-CD1 4.08Å; F350-L362 HydrophobicContact CE1-CD2 3.59Å; F350-L362 HydrophobicContact CZ-CD2 3.65Å; F353-L362 HydrophobicContact CE2-CB 4.29Å; F353-L362 HydrophobicContact CE2-CD2 3.97Å; L355-L362 HydrophobicContact CD1-CB 3.99Å; L362-I364 HydrophobicContact CD2-CD1 4.17Å; L362-I364 HydrophobicContact CD2-CG1 4.22Å; L362-I364 HydrophobicContact CG-CG1 4.22Å; L362-T372 CarbonylContact O-C 3.56Å; L362-T372 WeakPolarHBondContact O-CA 3.31Å; L362-F373 PolarHBondContact N-O 3.16Å; L362-F373 PolarHBondContact O-N 2.66Å; L362-L393 HydrophobicContact CD1-CB 4.34Å; L362-I407 HydrophobicContact CB-CD1 4.06Å; L362-I407 HydrophobicContact CD1-CD1 4.4Å; L362-I407 HydrophobicContact CD2-CD1 4.14Å; L362-I407 HydrophobicContact CG-CD1 4.43Å
363	M	93.1	Very high	84.9	Confident	61 Å²	61	49.4 Å²	49.4	30%	0.3	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	129.4	173.3	-172.3	-178.3	-170.9	0	0	109.2	Y361 S370 D371 L393 K394	Y361-M363 HydrophobicContact CD2-CB 4.27Å; Y361-M363 HydrophobicContact CE2-CB 4.2Å; M363-S370 WeakPolarHBondContact CE-OG 3.41Å; M363-D371 CarbonylContact C-O 3.56Å; M363-D371 WeakPolarHBondContact CA-O 3.31Å; M363-L393 CarbonylContact O-C 3.56Å; M363-L393 WeakPolarHBondContact O-CA 2.98Å; M363-K394 HydrophobicContact CB-CB 4.39Å; M363-K394 PolarHBondContact N-O 2.92Å; M363-K394 PolarHBondContact O-N 2.68Å
364	I	93.8	Very high	84.8	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	121.8	174.4	-51.4	-172.7	0	0	0	108.4	V348 F350 L362 S370 D371 F373 Y385 L391 Q392 L393	V348-I364 HydrophobicContact CB-CD1 4.48Å; V348-I364 HydrophobicContact CG1-CD1 3.98Å; V348-I364 HydrophobicContact CG2-CD1 4.45Å; F350-I364 HydrophobicContact CE2-CD1 4.46Å; F350-I364 HydrophobicContact CZ-CD1 3.88Å; L362-I364 HydrophobicContact CD2-CD1 4.17Å; L362-I364 HydrophobicContact CD2-CG1 4.22Å; L362-I364 HydrophobicContact CG-CG1 4.22Å; I364-S370 WeakPolarHBondContact O-CA 3.42Å; I364-D371 PolarHBondContact N-O 3.35Å; I364-D371 PolarHBondContact O-N 3.39Å; I364-F373 HydrophobicContact CB-CE2 4.28Å; I364-F373 HydrophobicContact CD1-CD2 4.19Å; I364-F373 HydrophobicContact CD1-CE2 3.74Å; I364-F373 HydrophobicContact CG1-CD2 4.14Å; I364-F373 HydrophobicContact CG1-CE2 3.84Å; I364-Y385 HydrophobicContact CB-CE1 4.17Å; I364-Y385 HydrophobicContact CB-CE2 4.35Å; I364-Y385 WeakPolarHBondContact CB-OH 3.45Å; I364-Y385 HydrophobicContact CD1-CE2 4.36Å; I364-Y385 HydrophobicContact CG2-CD1 4.32Å; I364-Y385 HydrophobicContact CG2-CD2 4.2Å; I364-Y385 HydrophobicContact CG2-CE1 3.79Å; I364-Y385 HydrophobicContact CG2-CE2 3.67Å; I364-Y385 VanDerWaalsContact CG2-CZ 3.44Å; I364-L391 HydrophobicContact CG2-CD1 3.62Å; I364-L391 HydrophobicContact CG2-CG 4.21Å; I364-Q392 CarbonylContact C-O 3.44Å; I364-Q392 VanDerWaalsContact CA-O 3.32Å; I364-Q392 WeakPolarHBondContact CA-O 3.36Å; I364-L393 HydrophobicContact CD1-CG 4.45Å; I364-L393 HydrophobicContact CG1-CG 4.21Å; I364-L393 HydrophobicContact CG2-CG 4.45Å
365	S	91.2	Very high	84.7	Confident	32 Å²	32	50.5 Å²	50.5	22%	0.224	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	138.5	-179.1	60.1	0	0	0	0	113.1	R369 Q392	S365-R369 VanDerWaalsContact CA-O 3.32Å; S365-R369 WeakPolarHBondContact CA-O 3.39Å; S365-Q392 PolarHBondContact N-O 3.4Å; S365-Q392 PolarHBondContact O-N 2.7Å
366	S	88.5	Confident	84.2	Confident	3 Å²	3	57.6 Å²	57.6	2%	0.021	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	118.7	171.7	-167.8	0	0	0	0	109.6	D368 R369 K390	S366-D368 PolarHBondContact O-N 3.03Å; S366-R369 PolarHBondContact N-O 3.09Å; S366-R369 PolarHBondContact O-N 3.07Å; S366-R369 VanDerWaalsContact O-N 3.13Å; S366-K390 PolarHBondContact OG-O 2.95Å; S366-K390 VanDerWaalsContact OG-O 3.06Å
367	G	80.7	Confident	83.8	Confident	40 Å²	40	57.6 Å²	57.6	41%	0.412	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	58	-124.3	-171.7	0	0	0	0	0	110.9
368	D	75.3	Confident	83.1	Confident	176 Å²	176	57 Å²	57	94%	0.941	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-13.4	-179.6	-54.4	-41.4	0	0	0	113	S366	S366-D368 PolarHBondContact O-N 3.03Å
369	R	79.2	Confident	82.5	Confident	105 Å²	105	55.6 Å²	55.6	40%	0.396	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	129.8	176.5	-177.2	172.1	170.8	-171.8	-6.2	110.5	S365 S366 D371 I384 Y385	S365-R369 VanDerWaalsContact CA-O 3.32Å; S365-R369 WeakPolarHBondContact CA-O 3.39Å; S366-R369 PolarHBondContact N-O 3.09Å; S366-R369 PolarHBondContact O-N 3.07Å; S366-R369 VanDerWaalsContact O-N 3.13Å; R369-D371 IonicContact CZ-OD2 2.58Å; R369-D371 VanDerWaalsContact CZ-OD2 3.24Å; R369-D371 IonicContact NE-OD1 3.11Å; R369-D371 IonicContact NE-OD2 3.77Å; R369-D371 PolarHBondContact NE-OD2 3.27Å; R369-D371 IonicContact NH2-OD2 2.72Å; R369-D371 PolarHBondContact NH2-OD2 2.86Å; R369-I384 PolarHBondContact NH1-O 3.38Å; R369-Y385 HydrophobicContact CG-CD1 4.44Å; R369-Y385 HydrophobicContact CG-CE1 4.47Å
370	S	87.8	Confident	81.6	Confident	51 Å²	51	59.5 Å²	59.5	36%	0.357	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	116	173.9	-178.9	0	0	0	0	111.6	M363 I364	M363-S370 WeakPolarHBondContact CE-OG 3.41Å; I364-S370 WeakPolarHBondContact O-CA 3.42Å
371	D	86.7	Confident	80.9	Confident	42 Å²	42	62.8 Å²	62.8	23%	0.225	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	139.6	178.8	-61.6	-36.3	0	0	0	109.9	M363 I364 R369 F373 Y385	M363-D371 CarbonylContact C-O 3.56Å; M363-D371 WeakPolarHBondContact CA-O 3.31Å; I364-D371 PolarHBondContact N-O 3.35Å; I364-D371 PolarHBondContact O-N 3.39Å; R369-D371 IonicContact CZ-OD2 2.58Å; R369-D371 VanDerWaalsContact CZ-OD2 3.24Å; R369-D371 IonicContact NE-OD1 3.11Å; R369-D371 IonicContact NE-OD2 3.77Å; R369-D371 PolarHBondContact NE-OD2 3.27Å; R369-D371 IonicContact NH2-OD2 2.72Å; R369-D371 PolarHBondContact NH2-OD2 2.86Å; D371-F373 HydrophobicContact CB-CE1 4.4Å; D371-F373 HydrophobicContact CB-CE2 3.68Å; D371-F373 HydrophobicContact CB-CZ 3.56Å; D371-Y385 HydrophobicContact CB-CE1 4.46Å; D371-Y385 VanDerWaalsContact OD2-CE1 3.28Å; D371-Y385 WeakPolarHBondContact OD2-CE1 2.96Å; D371-Y385 PolarHBondContact OD2-OH 2.91Å
372	T	88.6	Confident	80.6	Confident	86 Å²	86	61.6 Å²	61.6	53%	0.528	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	129.1	178.2	-58	0	0	0	0	110.3	Y361 L362	Y361-T372 HydrophobicContact CD2-CG2 3.85Å; Y361-T372 HydrophobicContact CG-CG2 4.22Å; L362-T372 CarbonylContact O-C 3.56Å; L362-T372 WeakPolarHBondContact O-CA 3.31Å
373	F	86.2	Confident	80.2	Confident	20 Å²	20	64 Å²	64	9%	0.088	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	141.1	-174.9	-53.4	-75.7	0	0	0	110.6	F353 Y361 L362 I364 D371 M377 F383 Y385	F353-F373 HydrophobicContact CE1-CB 4.45Å; F353-F373 HydrophobicContact CE2-CB 4.01Å; F353-F373 HydrophobicContact CZ-CB 3.52Å; Y361-F373 CarbonylContact C-O 3.58Å; Y361-F373 WeakPolarHBondContact CA-O 2.99Å; L362-F373 PolarHBondContact N-O 3.16Å; L362-F373 PolarHBondContact O-N 2.66Å; I364-F373 HydrophobicContact CB-CE2 4.28Å; I364-F373 HydrophobicContact CD1-CD2 4.19Å; I364-F373 HydrophobicContact CD1-CE2 3.74Å; I364-F373 HydrophobicContact CG1-CD2 4.14Å; I364-F373 HydrophobicContact CG1-CE2 3.84Å; D371-F373 HydrophobicContact CB-CE1 4.4Å; D371-F373 HydrophobicContact CB-CE2 3.68Å; D371-F373 HydrophobicContact CB-CZ 3.56Å; F373-M377 HydrophobicContact CB-CE 4.08Å; F373-M377 HydrophobicContact CD1-CE 3.31Å; F373-M377 HydrophobicContact CD1-SD 4.47Å; F373-M377 HydrophobicContact CE1-CE 4.05Å; F373-M377 HydrophobicContact CG-CE 4.04Å; F373-F383 HydrophobicContact CE1-CD1 4.33Å; F373-F383 AromaticContact CE1-CE1 3.79Å; F373-F383 HydrophobicContact CE1-CE1 3.79Å; F373-F383 HydrophobicContact CE1-CE2 4.14Å; F373-F383 AromaticContact CE1-CZ 3.67Å; F373-F383 HydrophobicContact CE1-CZ 3.67Å; F373-F383 HydrophobicContact CZ-CD1 4.14Å; F373-F383 HydrophobicContact CZ-CD2 4.4Å; F373-F383 HydrophobicContact CZ-CE1 4.07Å; F373-F383 HydrophobicContact CZ-CE2 4.32Å; F373-F383 HydrophobicContact CZ-CG 4.31Å; F373-F383 HydrophobicContact CZ-CZ 4.16Å; F373-Y385 WeakPolarHBondContact CE2-OH 3.12Å
374	S	84.8	Confident	79.8	Confident	63 Å²	63	64.3 Å²	64.3	44%	0.441	37%	0.365	S	S	.	.			trans	-151.2	164.9	174.8	64.2	0	0	0	0	109.6
375	G	84.2	Confident	79.4	Confident	8 Å²	8	64.3 Å²	64.3	8%	0.082	37%	0.365	C	S	.	.	S	Bend	trans	82.7	-157.7	-177.8	0	0	0	0	0	114.1	F353 L355	F353-G375 WeakPolarHBondContact CD1-O 3.28Å; F353-G375 WeakPolarHBondContact CE1-O 3.45Å; L355-G375 PolarHBondContact N-O 3.44Å; L355-G375 CarbonylContact O-C 3.54Å; L355-G375 WeakPolarHBondContact O-CA 3.49Å; L355-G375 PolarHBondContact O-N 2.59Å
376	M	74.4	Confident	78.8	Confident	152 Å²	152	64.7 Å²	64.7	75%	0.749	37%	0.369	S	S	*	.	B	Isolated β-bridge	trans	-102.9	144.1	177	-63.1	-176.6	-67.4	0	0	109.7	N354	N354-M376 HydrophobicContact CB-CG 4.47Å
377	M	70.7	Confident	77.7	Confident	51 Å²	51	65.9 Å²	65.9	25%	0.251	38%	0.383	S	S	.	.			trans	-128.3	151.2	175	-72.4	-174.9	167.8	0	0	110.2	F353 F373 L381 F383	F353-M377 HydrophobicContact CB-CB 4.09Å; F353-M377 HydrophobicContact CD1-CB 3.66Å; F353-M377 HydrophobicContact CD1-CG 3.5Å; F353-M377 HydrophobicContact CD1-SD 3.9Å; F353-M377 HydrophobicContact CE1-CB 4.44Å; F353-M377 HydrophobicContact CE1-CE 4.41Å; F353-M377 HydrophobicContact CE1-CG 3.79Å; F353-M377 HydrophobicContact CE1-SD 3.98Å; F353-M377 HydrophobicContact CG-CB 4.1Å; F353-M377 HydrophobicContact CG-CG 4.21Å; F353-M377 HydrophobicContact CG-SD 4.2Å; F353-M377 HydrophobicContact CZ-SD 4.35Å; F353-M377 PolarHBondContact O-N 3.13Å; F373-M377 HydrophobicContact CB-CE 4.08Å; F373-M377 HydrophobicContact CD1-CE 3.31Å; F373-M377 HydrophobicContact CD1-SD 4.47Å; F373-M377 HydrophobicContact CE1-CE 4.05Å; F373-M377 HydrophobicContact CG-CE 4.04Å; M377-L381 HydrophobicContact CB-CD1 3.98Å; M377-L381 HydrophobicContact CG-CD1 4.45Å; M377-L381 HydrophobicContact SD-CD1 4.38Å; M377-F383 HydrophobicContact CE-CZ 4.47Å; M377-F383 HydrophobicContact SD-CE2 4.47Å
378	N	58.7	Low	76.7	Confident	89 Å²	89	67.2 Å²	67.2	48%	0.476	38%	0.384	S	S	.	.			trans	-60.7	138.3	173	-65.5	-27.4	0	0	0	110.7	E39 L381	E39-N378 PolarHBondContact OE1-ND2 2.95Å; N378-L381 HydrophobicContact CB-CD1 4.39Å; N378-L381 WeakPolarHBondContact O-CD1 3.43Å
379	S	59.8	Low	76.4	Confident	78 Å²	78	64.7 Å²	64.7	55%	0.545	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	143.4	176.6	60.9	0	0	0	0	111.3
380	N	59.8	Low	76.9	Confident	104 Å²	104	64.5 Å²	64.5	56%	0.556	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.1	12.5	178.8	-52.4	-47.5	0	0	0	117.4	F350	F350-N380 VanDerWaalsContact O-CA 3.24Å; F350-N380 WeakPolarHBondContact O-CA 3.24Å; F350-N380 PolarHBondContact O-N 2.91Å
381	L	73.9	Confident	77.1	Confident	73 Å²	73	62.1 Å²	62.1	38%	0.382	35%	0.35	S	S	.	.			trans	-65.3	140	169.5	-75.5	164.2	0	0	0	111.5	R349 F350 M377 N378 F383	R349-L381 CarbonylContact C-O 3.53Å; R349-L381 WeakPolarHBondContact CA-O 3.31Å; F350-L381 PolarHBondContact N-O 2.91Å; M377-L381 HydrophobicContact CB-CD1 3.98Å; M377-L381 HydrophobicContact CG-CD1 4.45Å; M377-L381 HydrophobicContact SD-CD1 4.38Å; N378-L381 HydrophobicContact CB-CD1 4.39Å; N378-L381 WeakPolarHBondContact O-CD1 3.43Å; L381-F383 HydrophobicContact CB-CE2 4.33Å
382	S	82.7	Confident	77.5	Confident	59 Å²	59	63 Å²	63	41%	0.413	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	141.4	173.6	72.6	0	0	0	0	113.2	E347 V348	E347-S382 PolarHBondContact OE1-OG 3Å; V348-S382 CarbonylContact O-C 3.59Å; V348-S382 VanDerWaalsContact O-CA 3.27Å; V348-S382 WeakPolarHBondContact O-CA 3.24Å
383	F	83.8	Confident	77.8	Confident	50 Å²	50	58.9 Å²	58.9	22%	0.219	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	134.1	178.3	-63	-90.3	0	0	0	109.5	V348 F350 F373 M377 L381 Y385	V348-F383 PolarHBondContact N-O 3.31Å; V348-F383 PolarHBondContact O-N 3.09Å; F350-F383 AromaticContact CD2-CD2 3.93Å; F350-F383 HydrophobicContact CD2-CD2 3.93Å; F350-F383 AromaticContact CD2-CE2 3.86Å; F350-F383 HydrophobicContact CD2-CE2 3.86Å; F350-F383 AromaticContact CE2-CD2 3.61Å; F350-F383 HydrophobicContact CE2-CD2 3.61Å; F350-F383 AromaticContact CE2-CE2 3.69Å; F350-F383 HydrophobicContact CE2-CE2 3.69Å; F373-F383 HydrophobicContact CE1-CD1 4.33Å; F373-F383 AromaticContact CE1-CE1 3.79Å; F373-F383 HydrophobicContact CE1-CE1 3.79Å; F373-F383 HydrophobicContact CE1-CE2 4.14Å; F373-F383 AromaticContact CE1-CZ 3.67Å; F373-F383 HydrophobicContact CE1-CZ 3.67Å; F373-F383 HydrophobicContact CZ-CD1 4.14Å; F373-F383 HydrophobicContact CZ-CD2 4.4Å; F373-F383 HydrophobicContact CZ-CE1 4.07Å; F373-F383 HydrophobicContact CZ-CE2 4.32Å; F373-F383 HydrophobicContact CZ-CG 4.31Å; F373-F383 HydrophobicContact CZ-CZ 4.16Å; M377-F383 HydrophobicContact CE-CZ 4.47Å; M377-F383 HydrophobicContact SD-CE2 4.47Å; L381-F383 HydrophobicContact CB-CE2 4.33Å; F383-Y385 HydrophobicContact CB-CE2 3.7Å
384	I	85.7	Confident	78.2	Confident	69 Å²	69	61.9 Å²	61.9	35%	0.354	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	124.8	-178.3	-60.9	174.8	0	0	0	109.1	A345 F346 R369 L414 L416	A345-I384 HydrophobicContact CB-CG2 4.32Å; F346-I384 WeakPolarHBondContact O-CA 3.13Å; R369-I384 PolarHBondContact NH1-O 3.38Å; I384-L414 HydrophobicContact CD1-CD1 4.11Å; I384-L414 HydrophobicContact CG1-CD1 4.17Å; I384-L414 HydrophobicContact CG2-CD1 4.43Å; I384-L416 HydrophobicContact CD1-CD2 4.5Å; I384-L416 HydrophobicContact CG2-CD1 3.75Å; I384-L416 HydrophobicContact CG2-CD2 4.12Å; I384-L416 HydrophobicContact CG2-CG 4.36Å
385	Y	84.7	Confident	78.6	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	97.5	175.9	-64.6	-93.2	0	0	0	109.4	A345 F346 V348 I364 R369 D371 F373 F383 L391	A345-Y385 WeakPolarHBondContact CA-O 3.22Å; A345-Y385 WeakPolarHBondContact CB-O 3.25Å; F346-Y385 PolarHBondContact N-O 3.4Å; F346-Y385 PolarHBondContact O-N 3.21Å; V348-Y385 HydrophobicContact CB-CE2 4.35Å; V348-Y385 HydrophobicContact CG2-CD2 3.91Å; V348-Y385 HydrophobicContact CG2-CE2 3.89Å; I364-Y385 HydrophobicContact CB-CE1 4.17Å; I364-Y385 HydrophobicContact CB-CE2 4.35Å; I364-Y385 WeakPolarHBondContact CB-OH 3.45Å; I364-Y385 HydrophobicContact CD1-CE2 4.36Å; I364-Y385 HydrophobicContact CG2-CD1 4.32Å; I364-Y385 HydrophobicContact CG2-CD2 4.2Å; I364-Y385 HydrophobicContact CG2-CE1 3.79Å; I364-Y385 HydrophobicContact CG2-CE2 3.67Å; I364-Y385 VanDerWaalsContact CG2-CZ 3.44Å; R369-Y385 HydrophobicContact CG-CD1 4.44Å; R369-Y385 HydrophobicContact CG-CE1 4.47Å; D371-Y385 HydrophobicContact CB-CE1 4.46Å; D371-Y385 VanDerWaalsContact OD2-CE1 3.28Å; D371-Y385 WeakPolarHBondContact OD2-CE1 2.96Å; D371-Y385 PolarHBondContact OD2-OH 2.91Å; F373-Y385 WeakPolarHBondContact CE2-OH 3.12Å; F383-Y385 HydrophobicContact CB-CE2 3.7Å; Y385-L391 HydrophobicContact CD1-CD1 4.26Å; Y385-L391 HydrophobicContact CD2-CD1 3.96Å; Y385-L391 HydrophobicContact CG-CD1 3.75Å
386	A	77.9	Confident	78.9	Confident	39 Å²	39	59.2 Å²	59.2	32%	0.322	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	128.2	161.2	0	0	0	0	0	109.8	P420	A386-P420 HydrophobicContact CB-CB 3.69Å; A386-P420 HydrophobicContact CB-CG 3.11Å
387	G	66.7	Low	79.5	Confident	29 Å²	29	52.3 Å²	52.3	30%	0.299	29%	0.288	S	S	.	.	S	Bend	trans	143.2	-175.4	171.9	0	0	0	0	0	116.4
388	P	59.3	Low	80	Confident	67 Å²	67	58 Å²	58	44%	0.435	31%	0.311	S	S	.	.	S	Bend	trans	-66.2	169.8	-160.4	27.1	-33.9	0	0	0	112.6	K390	P388-K390 PolarHBondContact O-N 2.98Å
389	F	69.9	Low	80.3	Confident	123 Å²	123	55.1 Å²	55.1	54%	0.539	30%	0.302	S	S	.	.	S	Bend	trans	-45.6	-1.6	-165.1	-53.1	-79.1	0	0	0	119.3	K336 R337	K336-F389 CarbonylContact C-O 3.53Å; K336-F389 WeakPolarHBondContact CA-O 3.16Å; R337-F389 PolarHBondContact N-O 2.81Å
390	K	88.2	Confident	80.3	Confident	102 Å²	102	59.2 Å²	59.2	44%	0.443	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	143.7	179.9	68.7	179	-176.6	174.4	0	113.2	T334 V335 K336 S366 P388	T334-K390 HydrophobicContact CG2-CB 4.43Å; V335-K390 CarbonylContact O-C 3.52Å; V335-K390 VanDerWaalsContact O-CA 3.29Å; V335-K390 WeakPolarHBondContact O-CA 3.38Å; K336-K390 HydrophobicContact CG-CB 4.02Å; S366-K390 PolarHBondContact OG-O 2.95Å; S366-K390 VanDerWaalsContact OG-O 3.06Å; P388-K390 PolarHBondContact O-N 2.98Å
391	L	93.4	Very high	80.1	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	133.1	166.2	-177.1	77.3	0	0	0	107.6	T334 V335 F346 V348 I364 Y385 L393 I411	T334-L391 WeakPolarHBondContact CA-O 2.99Å; V335-L391 HydrophobicContact CB-CB 4.44Å; V335-L391 PolarHBondContact N-O 3.02Å; V335-L391 PolarHBondContact O-N 3.31Å; F346-L391 HydrophobicContact CB-CB 4.49Å; F346-L391 HydrophobicContact CB-CD1 4.46Å; F346-L391 HydrophobicContact CB-CD2 3.86Å; F346-L391 HydrophobicContact CD1-CB 4.34Å; F346-L391 HydrophobicContact CD1-CD2 4.48Å; F346-L391 HydrophobicContact CD2-CB 3.79Å; F346-L391 HydrophobicContact CE2-CB 4.02Å; F346-L391 HydrophobicContact CG-CB 3.95Å; F346-L391 HydrophobicContact CG-CD2 4.11Å; F346-L391 HydrophobicContact CG-CG 4.48Å; F346-L391 HydrophobicContact CZ-CB 4.39Å; V348-L391 HydrophobicContact CG2-CD2 3.61Å; I364-L391 HydrophobicContact CG2-CD1 3.62Å; I364-L391 HydrophobicContact CG2-CG 4.21Å; Y385-L391 HydrophobicContact CD1-CD1 4.26Å; Y385-L391 HydrophobicContact CD2-CD1 3.96Å; Y385-L391 HydrophobicContact CG-CD1 3.75Å; L391-L393 HydrophobicContact CD2-CD1 3.69Å; L391-L393 HydrophobicContact CG-CD1 3.91Å; L391-I411 HydrophobicContact CD2-CD1 4.3Å; L391-I411 HydrophobicContact CD2-CG2 3.98Å
392	Q	94.3	Very high	79.3	Confident	61 Å²	61	65.1 Å²	65.1	29%	0.285	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	130.2	175.9	-68	-172.4	0.3	0	0	110.4	F333 T334 I364 S365	F333-Q392 WeakPolarHBondContact O-CA 3.06Å; T334-Q392 HydrophobicContact CG2-CG 4Å; I364-Q392 CarbonylContact C-O 3.44Å; I364-Q392 VanDerWaalsContact CA-O 3.32Å; I364-Q392 WeakPolarHBondContact CA-O 3.36Å; S365-Q392 PolarHBondContact N-O 3.4Å; S365-Q392 PolarHBondContact O-N 2.7Å
393	L	95.3	Very high	78.2	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	118.3	171.6	-72.6	78.4	0	0	0	107.4	F316 T332 F333 L362 M363 I364 L391 I411	F316-L393 HydrophobicContact CB-CD2 3.88Å; F316-L393 HydrophobicContact CD1-CD2 3.98Å; F316-L393 HydrophobicContact CD2-CB 4.14Å; F316-L393 HydrophobicContact CD2-CD2 3.99Å; F316-L393 HydrophobicContact CE2-CB 4.13Å; F316-L393 HydrophobicContact CG-CD2 3.67Å; T332-L393 CarbonylContact C-O 3.58Å; T332-L393 WeakPolarHBondContact CA-O 3.48Å; F333-L393 PolarHBondContact N-O 2.72Å; F333-L393 PolarHBondContact O-N 2.87Å; L362-L393 HydrophobicContact CD1-CB 4.34Å; M363-L393 CarbonylContact O-C 3.56Å; M363-L393 WeakPolarHBondContact O-CA 2.98Å; I364-L393 HydrophobicContact CD1-CG 4.45Å; I364-L393 HydrophobicContact CG1-CG 4.21Å; I364-L393 HydrophobicContact CG2-CG 4.45Å; L391-L393 HydrophobicContact CD2-CD1 3.69Å; L391-L393 HydrophobicContact CG-CD1 3.91Å; L393-I411 HydrophobicContact CD1-CD1 3.72Å; L393-I411 HydrophobicContact CD2-CD1 4.12Å
394	K	94.3	Very high	77.8	Confident	82 Å²	82	61.5 Å²	61.5	36%	0.357	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	103.2	178.3	-177.8	-179.8	179.2	-176	0	109.2	V330 C331 M363	V330-K394 HydrophobicContact CG1-CG 4.31Å; C331-K394 WeakPolarHBondContact O-CA 3.11Å; M363-K394 HydrophobicContact CB-CB 4.39Å; M363-K394 PolarHBondContact N-O 2.92Å; M363-K394 PolarHBondContact O-N 2.68Å
395	Y	92.8	Very high	77.8	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	137	169.4	164.4	-109.4	0	0	0	109.8	T318 P319 N325 V330 C331 L355 Y361 A397 D405 I407	T318-Y395 HydrophobicContact CG2-CD1 4.35Å; T318-Y395 HydrophobicContact CG2-CD2 4.32Å; T318-Y395 HydrophobicContact CG2-CE1 4.23Å; T318-Y395 HydrophobicContact CG2-CE2 4.21Å; T318-Y395 HydrophobicContact CG2-CG 4.38Å; P319-Y395 HydrophobicContact CG-CE1 4.39Å; N325-Y395 PolarHBondContact ND2-OH 3.26Å; V330-Y395 CarbonylContact C-O 3.51Å; V330-Y395 WeakPolarHBondContact CA-O 3.29Å; C331-Y395 HydrophobicContact CB-CD1 3.88Å; C331-Y395 PolarHBondContact N-O 2.92Å; C331-Y395 PolarHBondContact O-N 2.85Å; L355-Y395 HydrophobicContact CD2-CD2 4.06Å; L355-Y395 HydrophobicContact CD2-CE2 3.6Å; Y361-Y395 WeakPolarHBondContact O-CA 3.34Å; Y395-A397 HydrophobicContact CE1-CB 4.37Å; Y395-A397 HydrophobicContact CE2-CB 4.28Å; Y395-A397 VanDerWaalsContact OH-CB 3.27Å; Y395-A397 WeakPolarHBondContact OH-CB 3.28Å; Y395-D405 HydrophobicContact CE2-CB 4.12Å; Y395-D405 WeakPolarHBondContact CE2-OD2 3.36Å; Y395-D405 WeakPolarHBondContact OH-CB 3.27Å; Y395-D405 VanDerWaalsContact OH-CG 3.32Å; Y395-D405 PolarHBondContact OH-OD2 2.99Å; Y395-I407 HydrophobicContact CD2-CD1 4.27Å
396	S	90.9	Very high	78	Confident	16 Å²	16	60.2 Å²	60.2	11%	0.112	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	126	176.6	-177.1	0	0	0	0	109.5	S360 Y361	S360-S396 VanDerWaalsContact CA-O 3.3Å; S360-S396 WeakPolarHBondContact CA-O 3.19Å; Y361-S396 PolarHBondContact N-O 2.94Å; Y361-S396 PolarHBondContact O-N 3.25Å
397	A	87.8	Confident	78.6	Confident	6 Å²	6	58.3 Å²	58.3	5%	0.05	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	133.5	170.3	0	0	0	0	0	110.6	N328 K329 S360 Y395 I403	N328-A397 PolarHBondContact OD1-O 2.88Å; K329-A397 PolarHBondContact O-N 2.98Å; S360-A397 WeakPolarHBondContact OG-CB 3.47Å; Y395-A397 HydrophobicContact CE1-CB 4.37Å; Y395-A397 HydrophobicContact CE2-CB 4.28Å; Y395-A397 VanDerWaalsContact OH-CB 3.27Å; Y395-A397 WeakPolarHBondContact OH-CB 3.28Å; A397-I403 HydrophobicContact CB-CD1 4.25Å; A397-I403 HydrophobicContact CB-CG2 4.33Å
398	K	79.5	Confident	79.8	Confident	172 Å²	172	58.9 Å²	58.9	75%	0.748	30%	0.3	S	S	*	.			trans	-139.4	105.1	-178.1	-174.1	-176.9	-179.9	-175.2	0	110.9	N328 S359	N328-K398 WeakPolarHBondContact OD1-CA 3.28Å; S359-K398 WeakPolarHBondContact CB-O 3.26Å; S359-K398 PolarHBondContact O-N 2.04Å
399	G	65.2	Low	81.4	Confident	27 Å²	27	55.7 Å²	55.7	28%	0.278	28%	0.279	S	S	.	.			trans	164.8	163	171.5	0	0	0	0	0	113.9	N328	N328-G399 PolarHBondContact ND2-O 3.36Å; N328-G399 PolarHBondContact OD1-N 3.3Å; N328-G399 PolarHBondContact OD1-O 2.83Å; N328-G399 VanDerWaalsContact OD1-O 3.09Å
400	D	60.4	Low	82.5	Confident	165 Å²	165	50.8 Å²	50.8	88%	0.882	26%	0.258	S	S	*	.	S	Bend	trans	-88.5	-6.8	178.5	-91	-19.1	0	0	0	113.8	K402	D400-K402 PolarHBondContact O-N 2.64Å
401	S	56.5	Low	82.8	Confident	88 Å²	88	45.9 Å²	45.9	62%	0.615	24%	0.237	S	C	*	.	S	Bend	trans	-85.2	103.5	-177	-52.6	0	0	0	0	110.6	I403	S401-I403 PolarHBondContact O-N 2.99Å
402	K	56.4	Low	82.7	Confident	212 Å²	212	50.4 Å²	50.4	92%	0.922	25%	0.254	S	S	*	.			trans	15.5	76	160.5	-63.3	-175.7	-179.2	-179.5	0	113.8	D400 G404	D400-K402 PolarHBondContact O-N 2.64Å; K402-G404 PolarHBondContact O-N 2.86Å
403	I	58.7	Low	82.5	Confident	12 Å²	12	47.6 Å²	47.6	6%	0.062	24%	0.241	C	C	.	.			trans	-61.1	127.4	-170.1	-56.5	166.7	0	0	0	108.9	N325 Q327 N328 A397 S401 D405	N325-I403 HydrophobicContact CB-CG2 4.39Å; N325-I403 CarbonylContact O-C 3.56Å; N325-I403 WeakPolarHBondContact O-CB 3.08Å; N325-I403 WeakPolarHBondContact O-CG2 3.25Å; Q327-I403 VanDerWaalsContact C-CD1 3.45Å; N328-I403 WeakPolarHBondContact OD1-CD1 3.38Å; A397-I403 HydrophobicContact CB-CD1 4.25Å; A397-I403 HydrophobicContact CB-CG2 4.33Å; S401-I403 PolarHBondContact O-N 2.99Å; I403-D405 HydrophobicContact CG2-CB 4.01Å; I403-D405 WeakPolarHBondContact CG2-OD2 3.28Å
404	G	75.4	Confident	81.9	Confident	22 Å²	22	49.8 Å²	49.8	23%	0.227	25%	0.252	C	S	.	.			trans	-115.7	16.1	-173.9	0	0	0	0	0	112.4	F324 K402	F324-G404 WeakPolarHBondContact CD1-O 3.47Å; F324-G404 WeakPolarHBondContact CE1-O 3.48Å; K402-G404 PolarHBondContact O-N 2.86Å
405	D	86.7	Confident	81	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.005	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-74.8	133.6	-169.8	-64.4	-20.6	0	0	0	111.5	N325 N354 L355 N356 S360 Y395 I403	N325-D405 HydrophobicContact CB-CB 4.41Å; N325-D405 PolarHBondContact N-O 3.05Å; N325-D405 VanDerWaalsContact N-O 3.11Å; N354-D405 CarbonylContact O-C 3.58Å; N354-D405 WeakPolarHBondContact O-CA 3.39Å; L355-D405 HydrophobicContact CD2-CB 3.74Å; N356-D405 PolarHBondContact N-OD1 2.96Å; S360-D405 WeakPolarHBondContact CB-OD2 3.04Å; S360-D405 PolarHBondContact OG-OD1 3.28Å; S360-D405 PolarHBondContact OG-OD2 2.98Å; Y395-D405 HydrophobicContact CE2-CB 4.12Å; Y395-D405 WeakPolarHBondContact CE2-OD2 3.36Å; Y395-D405 WeakPolarHBondContact OH-CB 3.27Å; Y395-D405 VanDerWaalsContact OH-CG 3.32Å; Y395-D405 PolarHBondContact OH-OD2 2.99Å; I403-D405 HydrophobicContact CG2-CB 4.01Å; I403-D405 WeakPolarHBondContact CG2-OD2 3.28Å
406	R	87.8	Confident	79.6	Confident	40 Å²	40	49.6 Å²	49.6	15%	0.151	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	117.9	-179.7	-154.9	179.1	65.5	-150.5	-1.8	109.8	E261 T318 Y321 P322 D352 N354	E261-R406 IonicContact OE1-NH1 2.78Å; T318-R406 WeakPolarHBondContact OG1-CA 3.12Å; Y321-R406 HydrophobicContact CD2-CG 3.67Å; Y321-R406 HydrophobicContact CE2-CG 3.67Å; P322-R406 WeakPolarHBondContact O-CD 2.96Å; D352-R406 VanDerWaalsContact CG-NE 3.35Å; D352-R406 IonicContact OD1-CZ 3.2Å; D352-R406 IonicContact OD1-NE 3.8Å; D352-R406 PolarHBondContact OD1-NE 3.08Å; D352-R406 IonicContact OD1-NH2 3.6Å; D352-R406 PolarHBondContact OD1-NH2 3.19Å; D352-R406 WeakPolarHBondContact OD2-CD 3.23Å; D352-R406 VanDerWaalsContact OD2-CG 3.22Å; D352-R406 WeakPolarHBondContact OD2-CG 2.96Å; D352-R406 IonicContact OD2-CZ 2.85Å; D352-R406 IonicContact OD2-NE 3.47Å; D352-R406 PolarHBondContact OD2-NE 3.07Å; D352-R406 IonicContact OD2-NH2 3.79Å; N354-R406 PolarHBondContact N-O 3.38Å; N354-R406 PolarHBondContact O-N 2.79Å
407	I	91.1	Very high	77.9	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	133.2	173	-57.8	162.4	0	0	0	108.6	F316 Y317 T318 Y321 F350 D352 F353 L355 L362 Y395	F316-I407 HydrophobicContact CD1-CG2 4.08Å; F316-I407 HydrophobicContact CE1-CB 4.29Å; F316-I407 HydrophobicContact CE1-CD1 4.46Å; F316-I407 HydrophobicContact CE1-CG2 4.08Å; Y317-I407 VanDerWaalsContact CA-O 3.23Å; Y317-I407 WeakPolarHBondContact CA-O 2.96Å; T318-I407 HydrophobicContact CG2-CB 3.81Å; T318-I407 HydrophobicContact CG2-CD1 3.85Å; T318-I407 HydrophobicContact CG2-CG1 3.85Å; T318-I407 PolarHBondContact N-O 2.95Å; T318-I407 VanDerWaalsContact N-O 3.09Å; T318-I407 PolarHBondContact OG1-N 3.16Å; Y321-I407 WeakPolarHBondContact CD2-O 3.28Å; F350-I407 HydrophobicContact CD1-CG2 3.95Å; F350-I407 HydrophobicContact CE1-CG2 3.89Å; D352-I407 CarbonylContact O-C 3.57Å; D352-I407 WeakPolarHBondContact O-CA 3.3Å; F353-I407 HydrophobicContact CD2-CD1 4.36Å; F353-I407 HydrophobicContact CD2-CG1 3.97Å; F353-I407 HydrophobicContact CD2-CG2 4.16Å; F353-I407 HydrophobicContact CE2-CD1 4.13Å; F353-I407 HydrophobicContact CE2-CG1 4.23Å; L355-I407 HydrophobicContact CD1-CD1 3.99Å; L355-I407 HydrophobicContact CD2-CD1 3.58Å; L355-I407 HydrophobicContact CD2-CG1 3.98Å; L355-I407 HydrophobicContact CG-CD1 3.89Å; L355-I407 HydrophobicContact CG-CG1 4.23Å; L362-I407 HydrophobicContact CB-CD1 4.06Å; L362-I407 HydrophobicContact CD1-CD1 4.4Å; L362-I407 HydrophobicContact CD2-CD1 4.14Å; L362-I407 HydrophobicContact CG-CD1 4.43Å; Y395-I407 HydrophobicContact CD2-CD1 4.27Å
408	Q	91.7	Very high	76.1	Confident	41 Å²	41	55.4 Å²	55.4	19%	0.192	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	115.3	158.2	178.5	-171.2	0.2	0	0	109.1	F316 Y317 Y321 N351 D352	F316-Q408 WeakPolarHBondContact O-CA 3.44Å; Y317-Q408 HydrophobicContact CD1-CB 4.1Å; Y317-Q408 HydrophobicContact CD1-CG 3.82Å; Y317-Q408 HydrophobicContact CE1-CB 4.38Å; Y317-Q408 HydrophobicContact CE1-CG 3.62Å; Y321-Q408 HydrophobicContact CE1-CB 4.36Å; Y321-Q408 HydrophobicContact CE2-CB 3.76Å; Y321-Q408 WeakPolarHBondContact OH-CB 3.3Å; Y321-Q408 PolarHBondContact OH-OE1 2.78Å; N351-Q408 HydrophobicContact CB-CB 4.46Å; N351-Q408 HydrophobicContact CB-CG 4.15Å; N351-Q408 PolarHBondContact N-O 2.77Å; N351-Q408 PolarHBondContact ND2-NE2 3.47Å; N351-Q408 VanDerWaalsContact ND2-NE2 3.16Å; D352-Q408 HydrophobicContact CB-CB 4.05Å; D352-Q408 PolarHBondContact N-O 3.18Å; D352-Q408 PolarHBondContact O-N 3.26Å
409	A	93.2	Very high	74.6	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	143.5	170	0	0	0	0	0	110.9	S315 F316 V348 R349 F350	S315-A409 CarbonylContact C-O 3.5Å; S315-A409 VanDerWaalsContact CA-O 3.24Å; S315-A409 WeakPolarHBondContact CA-O 3.01Å; F316-A409 HydrophobicContact CB-CB 4.27Å; F316-A409 HydrophobicContact CD1-CB 4.47Å; F316-A409 PolarHBondContact N-O 2.85Å; F316-A409 PolarHBondContact O-N 2.63Å; V348-A409 HydrophobicContact CG1-CB 3.94Å; R349-A409 CarbonylContact O-C 3.55Å; R349-A409 VanDerWaalsContact O-CA 3.24Å; R349-A409 WeakPolarHBondContact O-CA 3.41Å; F350-A409 HydrophobicContact CD1-CB 3.72Å; F350-A409 HydrophobicContact CE1-CB 3.8Å
410	E	93.5	Very high	74	Confident	19 Å²	19	52.5 Å²	52.5	9%	0.089	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	126.3	171.3	-174.2	-179.3	175.5	0	0	108.9	S313 R349 R412	S313-E410 VanDerWaalsContact CB-CG 3.45Å; S313-E410 WeakPolarHBondContact CB-OE1 3.47Å; S313-E410 PolarHBondContact OG-OE1 2.53Å; R349-E410 IonicContact CZ-OE2 3.76Å; R349-E410 PolarHBondContact N-O 2.75Å; R349-E410 IonicContact NE-OE2 3.71Å; R349-E410 IonicContact NH2-OE2 2.66Å; R349-E410 PolarHBondContact NH2-OE2 2.87Å; R349-E410 PolarHBondContact O-N 2.69Å; E410-R412 IonicContact OE1-CZ 3.77Å; E410-R412 VanDerWaalsContact OE1-CZ 3.29Å; E410-R412 IonicContact OE1-NE 3.41Å; E410-R412 PolarHBondContact OE1-NE 3.43Å; E410-R412 IonicContact OE1-NH2 3.07Å; E410-R412 PolarHBondContact OE1-NH2 3.07Å; E410-R412 IonicContact OE2-NH2 2.65Å
411	I	94.3	Very high	74	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	125.8	-177.7	-55.9	165	0	0	0	108.2	M307 S313 V314 F316 F333 V335 F346 E347 V348 L391 L393	M307-I411 WeakPolarHBondContact CE-O 3.28Å; M307-I411 HydrophobicContact SD-CG2 4.27Å; S313-I411 CarbonylContact C-O 3.59Å; S313-I411 VanDerWaalsContact CA-O 3.26Å; S313-I411 WeakPolarHBondContact CA-O 3.36Å; S313-I411 WeakPolarHBondContact CB-O 3.32Å; V314-I411 HydrophobicContact CB-CB 4.48Å; V314-I411 PolarHBondContact N-O 2.99Å; V314-I411 WeakPolarHBondContact O-CB 3.42Å; V314-I411 PolarHBondContact O-N 2.92Å; F316-I411 HydrophobicContact CB-CD1 4.44Å; F333-I411 HydrophobicContact CD1-CD1 4.42Å; F333-I411 HydrophobicContact CE1-CD1 4.14Å; V335-I411 HydrophobicContact CG1-CG2 4.43Å; V335-I411 HydrophobicContact CG2-CD1 3.63Å; V335-I411 HydrophobicContact CG2-CG2 4.43Å; F346-I411 HydrophobicContact CB-CG2 4.41Å; F346-I411 HydrophobicContact CD1-CG2 4.06Å; E347-I411 CarbonylContact O-C 3.52Å; E347-I411 VanDerWaalsContact O-CA 3.25Å; E347-I411 WeakPolarHBondContact O-CA 3.42Å; V348-I411 HydrophobicContact CG2-CG1 4.4Å; L391-I411 HydrophobicContact CD2-CD1 4.3Å; L391-I411 HydrophobicContact CD2-CG2 3.98Å; L393-I411 HydrophobicContact CD1-CD1 3.72Å; L393-I411 HydrophobicContact CD2-CD1 4.12Å
412	R	92	Very high	74.1	Confident	95 Å²	95	45.4 Å²	45.4	36%	0.358	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	149.9	177.3	-69.7	-178.2	179.3	-172.9	0.3	110.9	F346 E347 E410	F346-R412 WeakPolarHBondContact CA-O 3.41Å; E347-R412 HydrophobicContact CB-CB 4.42Å; E347-R412 PolarHBondContact N-O 3.42Å; E347-R412 PolarHBondContact O-N 2.9Å; E410-R412 IonicContact OE1-CZ 3.77Å; E410-R412 VanDerWaalsContact OE1-CZ 3.29Å; E410-R412 IonicContact OE1-NE 3.41Å; E410-R412 PolarHBondContact OE1-NE 3.43Å; E410-R412 IonicContact OE1-NH2 3.07Å; E410-R412 PolarHBondContact OE1-NH2 3.07Å; E410-R412 IonicContact OE2-NH2 2.65Å
413	L	88.8	Confident	73.7	Confident	2 Å²	2	43 Å²	43	1%	0.01	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	130.2	166.3	-75.2	178.5	0	0	0	108.7	M307 D310 R337 Y343 F346	M307-L413 HydrophobicContact CB-CD1 3.56Å; M307-L413 HydrophobicContact CB-CD2 4.29Å; M307-L413 HydrophobicContact CB-CG 3.8Å; M307-L413 HydrophobicContact CE-CG 4.07Å; M307-L413 HydrophobicContact SD-CG 4.2Å; D310-L413 WeakPolarHBondContact CB-O 3.43Å; R337-L413 HydrophobicContact CB-CD2 4.41Å; R337-L413 HydrophobicContact CG-CD1 4.47Å; R337-L413 HydrophobicContact CG-CD2 4.15Å; Y343-L413 HydrophobicContact CD1-CB 4.09Å; Y343-L413 HydrophobicContact CD2-CB 4.42Å; Y343-L413 HydrophobicContact CD2-CD1 3.78Å; Y343-L413 HydrophobicContact CE2-CD1 4.48Å; Y343-L413 HydrophobicContact CG-CB 3.89Å; Y343-L413 HydrophobicContact CG-CD1 4.02Å; Y343-L413 HydrophobicContact CG-CG 4.48Å; F346-L413 HydrophobicContact CD1-CD2 3.88Å; F346-L413 HydrophobicContact CE1-CD2 3.59Å; F346-L413 HydrophobicContact CZ-CD2 4.29Å
414	L	82.8	Confident	73.4	Confident	45 Å²	45	47.6 Å²	47.6	24%	0.236	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	140.1	165.7	-64.4	-178.8	0	0	0	108.8	N344 A345 E347 I384 L416	N344-L414 PolarHBondContact N-O 3.38Å; N344-L414 PolarHBondContact OD1-O 2.84Å; A345-L414 HydrophobicContact CB-CB 4.37Å; A345-L414 PolarHBondContact N-O 2.95Å; A345-L414 PolarHBondContact O-N 3Å; E347-L414 HydrophobicContact CB-CD1 3.71Å; E347-L414 HydrophobicContact CB-CD2 4.45Å; E347-L414 HydrophobicContact CB-CG 3.86Å; E347-L414 HydrophobicContact CG-CD1 4.43Å; I384-L414 HydrophobicContact CD1-CD1 4.11Å; I384-L414 HydrophobicContact CG1-CD1 4.17Å; I384-L414 HydrophobicContact CG2-CD1 4.43Å; L414-L416 HydrophobicContact CB-CG 4.49Å; L414-L416 HydrophobicContact CD1-CD2 4.25Å
415	T	76.1	Confident	72.9	Confident	35 Å²	35	47.6 Å²	47.6	22%	0.215	26%	0.257	C	S	.	.			trans	-88.5	95.4	147.3	-63	0	0	0	0	103.8	R342 Y343 N417	R342-T415 PolarHBondContact O-OG1 3.05Å; Y343-T415 WeakPolarHBondContact CD1-OG1 3.34Å; T415-N417 VanDerWaalsContact C-N 3.28Å; T415-N417 HydrophobicContact CG2-CB 3.98Å; T415-N417 WeakPolarHBondContact CG2-OD1 3.24Å; T415-N417 PolarHBondContact O-N 3.25Å
416	L	63.9	Low	71.8	Confident	44 Å²	44	49.1 Å²	49.1	23%	0.23	26%	0.264	C	S	.	.			trans	-59.3	110.6	154.3	-66.3	175.7	0	0	0	103	N344 A345 I384 L414 P418 L419 P420	N344-L416 PolarHBondContact ND2-O 2.84Å; N344-L416 WeakPolarHBondContact OD1-CB 3.38Å; N344-L416 PolarHBondContact OD1-N 3.21Å; N344-L416 PolarHBondContact OD1-O 3.37Å; A345-L416 HydrophobicContact CB-CD1 3.35Å; A345-L416 HydrophobicContact CB-CG 3.63Å; I384-L416 HydrophobicContact CD1-CD2 4.5Å; I384-L416 HydrophobicContact CG2-CD1 3.75Å; I384-L416 HydrophobicContact CG2-CD2 4.12Å; I384-L416 HydrophobicContact CG2-CG 4.36Å; L414-L416 HydrophobicContact CB-CG 4.49Å; L414-L416 HydrophobicContact CD1-CD2 4.25Å; L416-P418 VanDerWaalsContact C-C 3.47Å; L416-P418 CarbonylContact C-O 3.55Å; L416-P418 WeakPolarHBondContact CB-O 3.24Å; L416-P418 CarbonylContact O-C 3.49Å; L416-P418 VanDerWaalsContact O-CA 3.31Å; L416-P418 WeakPolarHBondContact O-CA 3.25Å; L416-L419 PolarHBondContact O-N 3.25Å; L416-P420 HydrophobicContact CD1-CB 4.44Å; L416-P420 HydrophobicContact CD1-CG 3.6Å
417	N	54.7	Low	70.6	Confident	134 Å²	134	49.8 Å²	49.8	72%	0.717	27%	0.269	S	S	*	.	S	Bend	trans	-97.8	119.1	175.4	-111.9	1.9	0	0	0	107.9	T415	T415-N417 VanDerWaalsContact C-N 3.28Å; T415-N417 HydrophobicContact CG2-CB 3.98Å; T415-N417 WeakPolarHBondContact CG2-OD1 3.24Å; T415-N417 PolarHBondContact O-N 3.25Å
418	P	49.5	Very low	69.1	Low	9 Å²	9	49.8 Å²	49.8	6%	0.058	27%	0.269	C	S	.	.	S	Bend	cis	-77.5	-174.7	-18.6	-28.5	44.1	0	0	0	118.2	L416 H427 C428 S429 G431	L416-P418 VanDerWaalsContact C-C 3.47Å; L416-P418 CarbonylContact C-O 3.55Å; L416-P418 WeakPolarHBondContact CB-O 3.24Å; L416-P418 CarbonylContact O-C 3.49Å; L416-P418 VanDerWaalsContact O-CA 3.31Å; L416-P418 WeakPolarHBondContact O-CA 3.25Å; P418-H427 VanDerWaalsContact C-CE1 3.48Å; P418-H427 WeakPolarHBondContact CA-CE1 3.15Å; P418-H427 WeakPolarHBondContact CA-NE2 3.14Å; P418-H427 WeakPolarHBondContact CB-NE2 3.33Å; P418-H427 WeakPolarHBondContact CD-CE1 3.34Å; P418-H427 VanDerWaalsContact CD-NE2 3.3Å; P418-H427 WeakPolarHBondContact CD-NE2 3.47Å; P418-H427 PolarHBondContact O-CE1 3.29Å; P418-H427 VanDerWaalsContact O-CE1 3.28Å; P418-H427 PolarHBondContact O-NE2 2.77Å; P418-C428 WeakPolarHBondContact CG-O 3.17Å; P418-S429 WeakPolarHBondContact CG-O 3.32Å; P418-G431 VanDerWaalsContact CB-CA 3.43Å; P418-G431 VanDerWaalsContact CG-CA 3.44Å
419	L	48.4	Very low	67.5	Low	88 Å²	88	52.3 Å²	52.3	46%	0.461	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-52	125.5	173.9	-78.9	117.4	0	0	0	110.1	N344 L416 C421 H427	N344-L419 HydrophobicContact CB-CB 4.33Å; N344-L419 HydrophobicContact CB-CD2 3.29Å; N344-L419 HydrophobicContact CB-CG 3.44Å; N344-L419 VanDerWaalsContact CB-CG 3.44Å; N344-L419 VanDerWaalsContact ND2-CA 3.31Å; N344-L419 WeakPolarHBondContact ND2-CA 3.4Å; N344-L419 WeakPolarHBondContact ND2-CG 3.02Å; N344-L419 PolarHBondContact ND2-N 2.85Å; L416-L419 PolarHBondContact O-N 3.25Å; L419-C421 PolarHBondContact O-N 3.06Å; L419-H427 PolarHBondContact N-NE2 2.95Å; L419-H427 PolarHBondContact O-CD2 2.66Å; L419-H427 PolarHBondContact O-NE2 2.88Å; L419-H427 VanDerWaalsContact O-NE2 3.12Å
420	P	51.3	Low	65.8	Low	50 Å²	50	54.5 Å²	54.5	33%	0.325	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-55.4	119.3	167.4	23.7	-32.9	0	0	0	107.1	A386 L416	A386-P420 HydrophobicContact CB-CB 3.69Å; A386-P420 HydrophobicContact CB-CG 3.11Å; L416-P420 HydrophobicContact CD1-CB 4.44Å; L416-P420 HydrophobicContact CD1-CG 3.6Å
421	C	61.7	Low	64.1	Low	23 Å²	23	55.2 Å²	55.2	16%	0.155	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-68	171.7	179.6	-53.6	0	0	0	0	109.4	L419 A425 F426 C433	L419-C421 PolarHBondContact O-N 3.06Å; C421-A425 HydrophobicContact CB-CB 3.38Å; C421-A425 WeakPolarHBondContact CB-O 3.16Å; C421-F426 PolarHBondContact SG-O 2.78Å; C421-C433 WeakPolarHBondContact CA-SG 3.35Å; C421-C433 HydrophobicContact CB-CB 3.75Å; C421-C433 WeakPolarHBondContact CB-SG 3.39Å; C421-C433 WeakPolarHBondContact SG-CA 3.23Å; C421-C433 WeakPolarHBondContact SG-CB 3.35Å; C421-C433 CovalentContact SG-SG 2.04Å; C421-C433 PolarHBondContact SG-SG 2.85Å
422	S	57.9	Low	62.9	Low	82 Å²	82	58 Å²	58	57%	0.573	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-54.8	158.5	167.3	59.8	0	0	0	0	109.6	D424 A425	S422-D424 PolarHBondContact O-N 2.71Å; S422-A425 PolarHBondContact O-N 2.74Å
423	D	48	Very low	62.1	Low	160 Å²	160	56.5 Å²	56.5	86%	0.856	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-24	-179.9	-64	-35.3	0	0	0	112.7	L436	D423-L436 VanDerWaalsContact O-CD1 3.31Å; D423-L436 WeakPolarHBondContact O-CD1 3.29Å
424	D	53.1	Low	61.1	Low	109 Å²	109	57 Å²	57	58%	0.583	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	13.7	177	-55.2	-41.2	0	0	0	116.1	S422 L436	S422-D424 PolarHBondContact O-N 2.71Å; D424-L436 PolarHBondContact O-N 3.32Å
425	A	64.6	Low	60.4	Low	22 Å²	22	56.5 Å²	56.5	18%	0.182	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	138.7	-174.7	0	0	0	0	0	114.6	C421 S422 V434	C421-A425 HydrophobicContact CB-CB 3.38Å; C421-A425 WeakPolarHBondContact CB-O 3.16Å; S422-A425 PolarHBondContact O-N 2.74Å; A425-V434 CarbonylContact C-O 3.56Å; A425-V434 VanDerWaalsContact CA-O 3.26Å; A425-V434 WeakPolarHBondContact CA-O 3.45Å; A425-V434 VanDerWaalsContact CB-O 3.28Å; A425-V434 WeakPolarHBondContact CB-O 3.01Å
426	F	62.4	Low	59.5	Low	33 Å²	33	57.8 Å²	57.8	15%	0.145	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	159.9	169.4	177.9	-96.3	0	0	0	111.8	C421 C433 V434 L436 F439 D451	C421-F426 PolarHBondContact SG-O 2.78Å; F426-C433 CarbonylContact O-C 3.37Å; F426-C433 WeakPolarHBondContact O-CA 3.26Å; F426-V434 HydrophobicContact CB-CG2 3.92Å; F426-V434 HydrophobicContact CD1-CG2 3.74Å; F426-V434 HydrophobicContact CG-CG2 4.33Å; F426-V434 PolarHBondContact N-O 3.35Å; F426-V434 PolarHBondContact O-N 3.3Å; F426-L436 HydrophobicContact CB-CD2 4.22Å; F426-F439 HydrophobicContact CB-CB 3.53Å; F426-F439 HydrophobicContact CB-CD2 4.06Å; F426-F439 HydrophobicContact CB-CG 3.83Å; F426-F439 HydrophobicContact CD1-CB 4.08Å; F426-F439 AromaticContact CD1-CD2 3.17Å; F426-F439 HydrophobicContact CD1-CD2 3.17Å; F426-F439 AromaticContact CD1-CE2 3.82Å; F426-F439 HydrophobicContact CD1-CE2 3.82Å; F426-F439 AromaticContact CD1-CG 3.86Å; F426-F439 HydrophobicContact CD1-CG 3.86Å; F426-F439 HydrophobicContact CD2-CB 4.18Å; F426-F439 AromaticContact CD2-CD1 3.91Å; F426-F439 HydrophobicContact CD2-CD1 3.91Å; F426-F439 AromaticContact CD2-CD2 3.22Å; F426-F439 HydrophobicContact CD2-CD2 3.22Å; F426-F439 HydrophobicContact CD2-CE1 4.07Å; F426-F439 AromaticContact CD2-CE2 3.41Å; F426-F439 HydrophobicContact CD2-CE2 3.41Å; F426-F439 VanDerWaalsContact CD2-CE2 3.41Å; F426-F439 AromaticContact CD2-CG 3.48Å; F426-F439 HydrophobicContact CD2-CG 3.48Å; F426-F439 VanDerWaalsContact CD2-CG 3.48Å; F426-F439 AromaticContact CD2-CZ 3.83Å; F426-F439 HydrophobicContact CD2-CZ 3.83Å; F426-F439 AromaticContact CE1-CD2 3.32Å; F426-F439 HydrophobicContact CE1-CD2 3.32Å; F426-F439 AromaticContact CE1-CE2 3.49Å; F426-F439 HydrophobicContact CE1-CE2 3.49Å; F426-F439 VanDerWaalsContact CE1-CE2 3.49Å; F426-F439 HydrophobicContact CE1-CG 4.38Å; F426-F439 HydrophobicContact CE2-CD1 4.4Å; F426-F439 AromaticContact CE2-CD2 3.37Å; F426-F439 HydrophobicContact CE2-CD2 3.37Å; F426-F439 HydrophobicContact CE2-CE1 4.15Å; F426-F439 AromaticContact CE2-CE2 3.02Å; F426-F439 HydrophobicContact CE2-CE2 3.02Å; F426-F439 HydrophobicContact CE2-CG 4.05Å; F426-F439 AromaticContact CE2-CZ 3.47Å; F426-F439 HydrophobicContact CE2-CZ 3.47Å; F426-F439 VanDerWaalsContact CE2-CZ 3.47Å; F426-F439 HydrophobicContact CG-CB 3.62Å; F426-F439 HydrophobicContact CG-CD1 4.23Å; F426-F439 AromaticContact CG-CD2 3.13Å; F426-F439 HydrophobicContact CG-CD2 3.13Å; F426-F439 AromaticContact CG-CE2 3.8Å; F426-F439 HydrophobicContact CG-CE2 3.8Å; F426-F439 AromaticContact CG-CG 3.38Å; F426-F439 HydrophobicContact CG-CG 3.38Å; F426-F439 AromaticContact CZ-CD2 3.42Å; F426-F439 HydrophobicContact CZ-CD2 3.42Å; F426-F439 VanDerWaalsContact CZ-CD2 3.42Å; F426-F439 AromaticContact CZ-CE2 3.07Å; F426-F439 HydrophobicContact CZ-CE2 3.07Å; F426-F439 HydrophobicContact CZ-CG 4.47Å; F426-F439 AromaticContact CZ-CZ 3.94Å; F426-F439 HydrophobicContact CZ-CZ 3.94Å; F426-D451 HydrophobicContact CD1-CB 4.04Å; F426-D451 VanDerWaalsContact CE1-CA 3.49Å; F426-D451 HydrophobicContact CE1-CB 4.02Å
427	H	62.7	Low	59.3	Low	55 Å²	55	62.8 Å²	62.8	26%	0.255	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	107.1	-162.2	176.6	-117.9	0	0	0	112.3	P418 L419	P418-H427 VanDerWaalsContact C-CE1 3.48Å; P418-H427 WeakPolarHBondContact CA-CE1 3.15Å; P418-H427 WeakPolarHBondContact CA-NE2 3.14Å; P418-H427 WeakPolarHBondContact CB-NE2 3.33Å; P418-H427 WeakPolarHBondContact CD-CE1 3.34Å; P418-H427 VanDerWaalsContact CD-NE2 3.3Å; P418-H427 WeakPolarHBondContact CD-NE2 3.47Å; P418-H427 PolarHBondContact O-CE1 3.29Å; P418-H427 VanDerWaalsContact O-CE1 3.28Å; P418-H427 PolarHBondContact O-NE2 2.77Å; L419-H427 PolarHBondContact N-NE2 2.95Å; L419-H427 PolarHBondContact O-CD2 2.66Å; L419-H427 PolarHBondContact O-NE2 2.88Å; L419-H427 VanDerWaalsContact O-NE2 3.12Å
428	C	60.1	Low	59.9	Low	0 Å²	0	60.2 Å²	60.2	0%	0	35%	0.35	C	S	.	.			trans	-69	147.3	179	-51.6	0	0	0	0	111.7	P418 S430 G431 Q432 C446	P418-C428 WeakPolarHBondContact CG-O 3.17Å; C428-S430 VanDerWaalsContact C-N 3.29Å; C428-S430 PolarHBondContact O-N 2.04Å; C428-G431 PolarHBondContact O-N 3.47Å; C428-Q432 HydrophobicContact CB-CB 4.15Å; C428-Q432 VanDerWaalsContact CB-O 3.27Å; C428-Q432 WeakPolarHBondContact CB-O 2.91Å; C428-Q432 PolarHBondContact N-O 2.84Å; C428-Q432 PolarHBondContact SG-O 3.37Å; C428-C446 VanDerWaalsContact CA-SG 3.54Å; C428-C446 HydrophobicContact CB-CB 3.54Å; C428-C446 WeakPolarHBondContact CB-SG 3.38Å; C428-C446 WeakPolarHBondContact SG-CB 3.14Å; C428-C446 CovalentContact SG-SG 1.98Å; C428-C446 PolarHBondContact SG-SG 3.27Å
429	S	59.1	Low	60.5	Low	93 Å²	93	61.2 Å²	61.2	65%	0.65	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-38	170.3	-170.5	0	0	0	0	111.8	P418 G431 D448 S450	P418-S429 WeakPolarHBondContact CG-O 3.32Å; S429-G431 VanDerWaalsContact C-N 3.33Å; S429-G431 PolarHBondContact O-N 3Å; S429-G431 VanDerWaalsContact O-N 3.07Å; S429-D448 VanDerWaalsContact CB-OD2 3.23Å; S429-D448 WeakPolarHBondContact CB-OD2 3.43Å; S429-S450 WeakPolarHBondContact CB-OG 3.34Å; S429-S450 PolarHBondContact N-OG 2.92Å
430	S	56.3	Low	61.1	Low	47 Å²	47	59.1 Å²	59.1	33%	0.329	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn		24.7	-80.4	129.7	103.4	0	0	0	0	119.3	C428 D448	C428-S430 VanDerWaalsContact C-N 3.29Å; C428-S430 PolarHBondContact O-N 2.04Å; S430-D448 WeakPolarHBondContact CB-OD1 3.48Å; S430-D448 PolarHBondContact N-OD1 3.19Å; S430-D448 PolarHBondContact N-OD2 2.93Å; S430-D448 VanDerWaalsContact OG-CG 3.22Å; S430-D448 PolarHBondContact OG-N 3.45Å; S430-D448 PolarHBondContact OG-OD1 2.9Å
431	G	59.2	Low	61.8	Low	34 Å²	34	59.7 Å²	59.7	35%	0.351	35%	0.346	S	S	.	.	S	Bend	trans	113	-24.8	-149	0	0	0	0	0	113.1	P418 C428 S429	P418-G431 VanDerWaalsContact CB-CA 3.43Å; P418-G431 VanDerWaalsContact CG-CA 3.44Å; C428-G431 PolarHBondContact O-N 3.47Å; S429-G431 VanDerWaalsContact C-N 3.33Å; S429-G431 PolarHBondContact O-N 3Å; S429-G431 VanDerWaalsContact O-N 3.07Å
432	Q	68	Low	61.9	Low	57 Å²	57	60.8 Å²	60.8	27%	0.266	36%	0.361	S	S	.	.			trans	-89.1	149	-168.7	-53.4	-173.9	-55.1	0	0	112.1	C428	C428-Q432 HydrophobicContact CB-CB 4.15Å; C428-Q432 VanDerWaalsContact CB-O 3.27Å; C428-Q432 WeakPolarHBondContact CB-O 2.91Å; C428-Q432 PolarHBondContact N-O 2.84Å; C428-Q432 PolarHBondContact SG-O 3.37Å
433	C	74.6	Confident	62.3	Low	64 Å²	64	62 Å²	62	43%	0.432	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	126.1	169.1	-72.4	0	0	0	0	109.2	C421 F426	C421-C433 WeakPolarHBondContact CA-SG 3.35Å; C421-C433 HydrophobicContact CB-CB 3.75Å; C421-C433 WeakPolarHBondContact CB-SG 3.39Å; C421-C433 WeakPolarHBondContact SG-CA 3.23Å; C421-C433 WeakPolarHBondContact SG-CB 3.35Å; C421-C433 CovalentContact SG-SG 2.04Å; C421-C433 PolarHBondContact SG-SG 2.85Å; F426-C433 CarbonylContact O-C 3.37Å; F426-C433 WeakPolarHBondContact O-CA 3.26Å
434	V	69.5	Low	63.6	Low	13 Å²	13	62.8 Å²	62.8	8%	0.079	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	147	172	-63.5	0	0	0	0	107.4	A425 F426 K438 D445 D451	A425-V434 CarbonylContact C-O 3.56Å; A425-V434 VanDerWaalsContact CA-O 3.26Å; A425-V434 WeakPolarHBondContact CA-O 3.45Å; A425-V434 VanDerWaalsContact CB-O 3.28Å; A425-V434 WeakPolarHBondContact CB-O 3.01Å; F426-V434 HydrophobicContact CB-CG2 3.92Å; F426-V434 HydrophobicContact CD1-CG2 3.74Å; F426-V434 HydrophobicContact CG-CG2 4.33Å; F426-V434 PolarHBondContact N-O 3.35Å; F426-V434 PolarHBondContact O-N 3.3Å; V434-K438 HydrophobicContact CB-CB 4.08Å; V434-K438 HydrophobicContact CB-CD 4.4Å; V434-K438 HydrophobicContact CG2-CB 4.39Å; V434-D445 HydrophobicContact CB-CB 4.44Å; V434-D445 HydrophobicContact CG1-CB 3.8Å; V434-D451 HydrophobicContact CG2-CB 4.27Å
435	A	67	Low	64.8	Low	34 Å²	34	59.9 Å²	59.9	28%	0.281	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	148.1	176.4	0	0	0	0	0	110.2	E437 K438	A435-E437 HydrophobicContact CB-CG 3.63Å; A435-E437 PolarHBondContact O-N 2.82Å; A435-E437 VanDerWaalsContact O-N 3.15Å; A435-K438 HydrophobicContact CB-CD 4.5Å; A435-K438 HydrophobicContact CB-CG 4.43Å; A435-K438 WeakPolarHBondContact O-CA 3.24Å; A435-K438 WeakPolarHBondContact O-CB 3.41Å; A435-K438 PolarHBondContact O-N 3.17Å
436	L	58.1	Low	65.1	Low	62 Å²	62	59 Å²	59	33%	0.325	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-53	-40.3	-179.8	-87.9	171.9	0	0	0	110.4	D423 D424 F426 K438 F439 Q474	D423-L436 VanDerWaalsContact O-CD1 3.31Å; D423-L436 WeakPolarHBondContact O-CD1 3.29Å; D424-L436 PolarHBondContact O-N 3.32Å; F426-L436 HydrophobicContact CB-CD2 4.22Å; L436-K438 PolarHBondContact O-N 3.28Å; L436-F439 VanDerWaalsContact O-CB 3.25Å; L436-F439 WeakPolarHBondContact O-CB 3.48Å; L436-F439 PolarHBondContact O-N 3.37Å; L436-Q474 VanDerWaalsContact O-CD 3.25Å; L436-Q474 PolarHBondContact O-NE2 3.24Å; L436-Q474 PolarHBondContact O-OE1 3.18Å
437	E	58.3	Low	65.7	Low	150 Å²	150	66 Å²	66	70%	0.701	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-55.6	-19.7	174.5	60.7	-179.1	-164.8	0	0	115.5	A435	A435-E437 HydrophobicContact CB-CG 3.63Å; A435-E437 PolarHBondContact O-N 2.82Å; A435-E437 VanDerWaalsContact O-N 3.15Å
438	K	68.9	Low	65.9	Low	80 Å²	80	66.2 Å²	66.2	35%	0.348	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-93.3	-12.4	176.6	-66.2	-178.6	161.5	-133.8	0	114.1	V434 A435 L436 N441 D445	V434-K438 HydrophobicContact CB-CB 4.08Å; V434-K438 HydrophobicContact CB-CD 4.4Å; V434-K438 HydrophobicContact CG2-CB 4.39Å; A435-K438 HydrophobicContact CB-CD 4.5Å; A435-K438 HydrophobicContact CB-CG 4.43Å; A435-K438 WeakPolarHBondContact O-CA 3.24Å; A435-K438 WeakPolarHBondContact O-CB 3.41Å; A435-K438 PolarHBondContact O-N 3.17Å; L436-K438 PolarHBondContact O-N 3.28Å; K438-N441 WeakPolarHBondContact CA-ND2 3.32Å; K438-N441 PolarHBondContact O-ND2 3.29Å; K438-D445 HydrophobicContact CB-CB 4.38Å; K438-D445 HydrophobicContact CD-CB 4.34Å; K438-D445 IonicContact NZ-OD1 2.67Å; K438-D445 PolarHBondContact NZ-OD1 2.86Å
439	F	62	Low	66.4	Low	30 Å²	30	66.3 Å²	66.3	13%	0.132	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	131.1	176	179.5	-122.5	0	0	0	111.7	F426 L436 N441 D451 N454 C457 Q474	F426-F439 HydrophobicContact CB-CB 3.53Å; F426-F439 HydrophobicContact CB-CD2 4.06Å; F426-F439 HydrophobicContact CB-CG 3.83Å; F426-F439 HydrophobicContact CD1-CB 4.08Å; F426-F439 AromaticContact CD1-CD2 3.17Å; F426-F439 HydrophobicContact CD1-CD2 3.17Å; F426-F439 AromaticContact CD1-CE2 3.82Å; F426-F439 HydrophobicContact CD1-CE2 3.82Å; F426-F439 AromaticContact CD1-CG 3.86Å; F426-F439 HydrophobicContact CD1-CG 3.86Å; F426-F439 HydrophobicContact CD2-CB 4.18Å; F426-F439 AromaticContact CD2-CD1 3.91Å; F426-F439 HydrophobicContact CD2-CD1 3.91Å; F426-F439 AromaticContact CD2-CD2 3.22Å; F426-F439 HydrophobicContact CD2-CD2 3.22Å; F426-F439 HydrophobicContact CD2-CE1 4.07Å; F426-F439 AromaticContact CD2-CE2 3.41Å; F426-F439 HydrophobicContact CD2-CE2 3.41Å; F426-F439 VanDerWaalsContact CD2-CE2 3.41Å; F426-F439 AromaticContact CD2-CG 3.48Å; F426-F439 HydrophobicContact CD2-CG 3.48Å; F426-F439 VanDerWaalsContact CD2-CG 3.48Å; F426-F439 AromaticContact CD2-CZ 3.83Å; F426-F439 HydrophobicContact CD2-CZ 3.83Å; F426-F439 AromaticContact CE1-CD2 3.32Å; F426-F439 HydrophobicContact CE1-CD2 3.32Å; F426-F439 AromaticContact CE1-CE2 3.49Å; F426-F439 HydrophobicContact CE1-CE2 3.49Å; F426-F439 VanDerWaalsContact CE1-CE2 3.49Å; F426-F439 HydrophobicContact CE1-CG 4.38Å; F426-F439 HydrophobicContact CE2-CD1 4.4Å; F426-F439 AromaticContact CE2-CD2 3.37Å; F426-F439 HydrophobicContact CE2-CD2 3.37Å; F426-F439 HydrophobicContact CE2-CE1 4.15Å; F426-F439 AromaticContact CE2-CE2 3.02Å; F426-F439 HydrophobicContact CE2-CE2 3.02Å; F426-F439 HydrophobicContact CE2-CG 4.05Å; F426-F439 AromaticContact CE2-CZ 3.47Å; F426-F439 HydrophobicContact CE2-CZ 3.47Å; F426-F439 VanDerWaalsContact CE2-CZ 3.47Å; F426-F439 HydrophobicContact CG-CB 3.62Å; F426-F439 HydrophobicContact CG-CD1 4.23Å; F426-F439 AromaticContact CG-CD2 3.13Å; F426-F439 HydrophobicContact CG-CD2 3.13Å; F426-F439 AromaticContact CG-CE2 3.8Å; F426-F439 HydrophobicContact CG-CE2 3.8Å; F426-F439 AromaticContact CG-CG 3.38Å; F426-F439 HydrophobicContact CG-CG 3.38Å; F426-F439 AromaticContact CZ-CD2 3.42Å; F426-F439 HydrophobicContact CZ-CD2 3.42Å; F426-F439 VanDerWaalsContact CZ-CD2 3.42Å; F426-F439 AromaticContact CZ-CE2 3.07Å; F426-F439 HydrophobicContact CZ-CE2 3.07Å; F426-F439 HydrophobicContact CZ-CG 4.47Å; F426-F439 AromaticContact CZ-CZ 3.94Å; F426-F439 HydrophobicContact CZ-CZ 3.94Å; L436-F439 VanDerWaalsContact O-CB 3.25Å; L436-F439 WeakPolarHBondContact O-CB 3.48Å; L436-F439 PolarHBondContact O-N 3.37Å; F439-N441 VanDerWaalsContact C-N 3.28Å; F439-N441 PolarHBondContact O-N 3.18Å; F439-D451 HydrophobicContact CD2-CB 4.3Å; F439-D451 WeakPolarHBondContact CD2-O 3.42Å; F439-N454 HydrophobicContact CE2-CB 4.09Å; F439-N454 HydrophobicContact CZ-CB 4.1Å; F439-N454 WeakPolarHBondContact CZ-ND2 3.47Å; F439-C457 WeakPolarHBondContact CE2-SG 2.96Å; F439-C457 WeakPolarHBondContact CZ-SG 3.25Å; F439-Q474 PolarHBondContact O-NE2 2.99Å
440	C	60.5	Low	66.5	Low	44 Å²	44	63.1 Å²	63.1	30%	0.297	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	31.7	-174.3	-45.3	0	0	0	0	115	D451 E452 C457	C440-D451 WeakPolarHBondContact CA-O 3.48Å; C440-D451 PolarHBondContact N-O 2.81Å; C440-E452 VanDerWaalsContact C-OE2 3.31Å; C440-E452 WeakPolarHBondContact CA-OE2 3.27Å; C440-C457 HydrophobicContact CB-CB 3.81Å; C440-C457 WeakPolarHBondContact CB-SG 3.22Å; C440-C457 WeakPolarHBondContact SG-CA 3.47Å; C440-C457 WeakPolarHBondContact SG-CB 2.99Å; C440-C457 CovalentContact SG-SG 2.02Å; C440-C457 PolarHBondContact SG-SG 2.94Å
441	N	66.2	Low	67.1	Low	62 Å²	62	60.9 Å²	60.9	33%	0.332	32%	0.324	S	S	.	.	S	Bend	trans	-88.4	-10.4	-170.1	75.5	0.8	0	0	0	115	K438 F439 I443 D445 E452	K438-N441 WeakPolarHBondContact CA-ND2 3.32Å; K438-N441 PolarHBondContact O-ND2 3.29Å; F439-N441 VanDerWaalsContact C-N 3.28Å; F439-N441 PolarHBondContact O-N 3.18Å; N441-I443 WeakPolarHBondContact OD1-CA 3.26Å; N441-I443 VanDerWaalsContact OD1-CB 3.25Å; N441-I443 WeakPolarHBondContact OD1-CB 3.47Å; N441-I443 PolarHBondContact OD1-N 3.05Å; N441-I443 PolarHBondContact OD1-O 2.67Å; N441-I443 VanDerWaalsContact OD1-O 3.14Å; N441-D445 PolarHBondContact ND2-OD2 3.25Å; N441-E452 PolarHBondContact N-OE1 3.35Å; N441-E452 PolarHBondContact OD1-OE1 2.91Å
442	G	62.8	Low	67.5	Low	46 Å²	46	59.6 Å²	59.6	47%	0.474	31%	0.309	S	S	.	.	S	Bend	trans	111.2	-10.9	-174.2	0	0	0	0	0	114.3	E452 H459	G442-E452 PolarHBondContact N-OE1 2.93Å; G442-H459 WeakPolarHBondContact CA-CE1 3.44Å; G442-H459 PolarHBondContact N-CE1 2.97Å; G442-H459 VanDerWaalsContact N-CE1 3.31Å
443	I	67.9	Low	67.1	Low	107 Å²	107	63.5 Å²	63.5	55%	0.549	33%	0.329	S	S	.	.	S	Bend	trans	-129.7	129	-163.5	-54.3	176	0	0	0	106.6	N441 D445 E452	N441-I443 WeakPolarHBondContact OD1-CA 3.26Å; N441-I443 VanDerWaalsContact OD1-CB 3.25Å; N441-I443 WeakPolarHBondContact OD1-CB 3.47Å; N441-I443 PolarHBondContact OD1-N 3.05Å; N441-I443 PolarHBondContact OD1-O 2.67Å; N441-I443 VanDerWaalsContact OD1-O 3.14Å; I443-D445 PolarHBondContact O-N 3.14Å; I443-E452 PolarHBondContact N-OE1 2.97Å; I443-E452 VanDerWaalsContact N-OE1 3.12Å; I443-E452 WeakPolarHBondContact O-CG 3.47Å; I443-E452 VanDerWaalsContact O-OE1 3.08Å
444	W	74.9	Confident	66.1	Low	177 Å²	177	63.1 Å²	63.1	67%	0.67	32%	0.323	S	S	*	.			trans	-75.5	83	178.2	-59.8	14.7	0	0	0	108
445	D	77.2	Confident	65.1	Low	47 Å²	47	70.3 Å²	70.3	25%	0.251	36%	0.356	S	S	.	.			trans	-77.9	-28.6	175.9	-77.2	-78.1	0	0	0	110.4	V434 K438 N441 I443 D451	V434-D445 HydrophobicContact CB-CB 4.44Å; V434-D445 HydrophobicContact CG1-CB 3.8Å; K438-D445 HydrophobicContact CB-CB 4.38Å; K438-D445 HydrophobicContact CD-CB 4.34Å; K438-D445 IonicContact NZ-OD1 2.67Å; K438-D445 PolarHBondContact NZ-OD1 2.86Å; N441-D445 PolarHBondContact ND2-OD2 3.25Å; I443-D445 PolarHBondContact O-N 3.14Å; D445-D451 VanDerWaalsContact CA-OD2 3.26Å; D445-D451 WeakPolarHBondContact CA-OD2 3.26Å; D445-D451 WeakPolarHBondContact CB-OD2 3.43Å; D445-D451 PolarHBondContact N-OD2 3.25Å
446	C	71.8	Confident	64	Low	3 Å²	3	74 Å²	74	2%	0.02	37%	0.37	C	S	.	.	S	Bend	trans	-76	138.4	166.3	-59.6	0	0	0	0	111.8	C428 D448 G449 D451	C428-C446 VanDerWaalsContact CA-SG 3.54Å; C428-C446 HydrophobicContact CB-CB 3.54Å; C428-C446 WeakPolarHBondContact CB-SG 3.38Å; C428-C446 WeakPolarHBondContact SG-CB 3.14Å; C428-C446 CovalentContact SG-SG 1.98Å; C428-C446 PolarHBondContact SG-SG 3.27Å; C446-D448 VanDerWaalsContact CB-OD1 3.24Å; C446-D448 WeakPolarHBondContact CB-OD1 3.23Å; C446-D448 PolarHBondContact O-N 3.04Å; C446-D448 VanDerWaalsContact O-N 3.07Å; C446-G449 PolarHBondContact O-N 3Å; C446-D451 HydrophobicContact CB-CB 4.29Å; C446-D451 WeakPolarHBondContact CB-OD1 3.04Å; C446-D451 VanDerWaalsContact N-CG 3.35Å; C446-D451 PolarHBondContact N-OD1 2.83Å; C446-D451 PolarHBondContact N-OD2 2.73Å; C446-D451 WeakPolarHBondContact SG-CB 2.77Å; C446-D451 PolarHBondContact SG-N 3.06Å; C446-D451 PolarHBondContact SG-OD1 2.83Å
447	K	73.8	Confident	63.6	Low	181 Å²	181	71.3 Å²	71.3	79%	0.787	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-24.6	174.8	-84.3	178.5	-176.6	179.1	0	114.2
448	D	68	Low	63.1	Low	60 Å²	60	69.2 Å²	69.2	32%	0.321	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	2.2	177.4	67.5	-37	0	0	0	113.6	S429 S430 C446 S450	S429-D448 VanDerWaalsContact CB-OD2 3.23Å; S429-D448 WeakPolarHBondContact CB-OD2 3.43Å; S430-D448 WeakPolarHBondContact CB-OD1 3.48Å; S430-D448 PolarHBondContact N-OD1 3.19Å; S430-D448 PolarHBondContact N-OD2 2.93Å; S430-D448 VanDerWaalsContact OG-CG 3.22Å; S430-D448 PolarHBondContact OG-N 3.45Å; S430-D448 PolarHBondContact OG-OD1 2.9Å; C446-D448 VanDerWaalsContact CB-OD1 3.24Å; C446-D448 WeakPolarHBondContact CB-OD1 3.23Å; C446-D448 PolarHBondContact O-N 3.04Å; C446-D448 VanDerWaalsContact O-N 3.07Å; D448-S450 VanDerWaalsContact CG-OG 3.3Å; D448-S450 PolarHBondContact O-N 3.25Å; D448-S450 PolarHBondContact OD1-N 3.2Å; D448-S450 VanDerWaalsContact OD2-CB 3.26Å; D448-S450 WeakPolarHBondContact OD2-CB 3Å; D448-S450 PolarHBondContact OD2-OG 2.62Å
449	G	69.5	Low	62	Low	1 Å²	1	69.2 Å²	69.2	1%	0.01	35%	0.347	C	S	.	.	S	Bend	trans	66.7	17.3	-177.7	0	0	0	0	0	115	C446 D451 E452 M453	C446-G449 PolarHBondContact O-N 3Å; G449-D451 VanDerWaalsContact C-N 3.31Å; G449-D451 WeakPolarHBondContact CA-OD1 3.3Å; G449-D451 PolarHBondContact O-N 3.13Å; G449-E452 CarbonylContact O-C 3.5Å; G449-E452 WeakPolarHBondContact O-CA 3.08Å; G449-E452 PolarHBondContact O-N 2.91Å; G449-M453 WeakPolarHBondContact O-CB 3.37Å; G449-M453 PolarHBondContact O-N 3.19Å
450	S	62.5	Low	60.8	Low	26 Å²	26	70.7 Å²	70.7	18%	0.182	36%	0.356	C	S	.	.	H	α-helix	trans	-68.7	-26	-178	-82.9	0	0	0	0	115	S429 D448 E452 M453	S429-S450 WeakPolarHBondContact CB-OG 3.34Å; S429-S450 PolarHBondContact N-OG 2.92Å; D448-S450 VanDerWaalsContact CG-OG 3.3Å; D448-S450 PolarHBondContact O-N 3.25Å; D448-S450 PolarHBondContact OD1-N 3.2Å; D448-S450 VanDerWaalsContact OD2-CB 3.26Å; D448-S450 WeakPolarHBondContact OD2-CB 3Å; D448-S450 PolarHBondContact OD2-OG 2.62Å; S450-E452 PolarHBondContact O-N 2.82Å; S450-M453 PolarHBondContact O-N 3.04Å
451	D	68.7	Low	59.9	Low	0 Å²	0	76.1 Å²	76.1	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-59	-19	166.5	49.9	-19.3	0	0	0	113.4	F426 V434 F439 C440 D445 C446 G449 C457	F426-D451 HydrophobicContact CD1-CB 4.04Å; F426-D451 VanDerWaalsContact CE1-CA 3.49Å; F426-D451 HydrophobicContact CE1-CB 4.02Å; V434-D451 HydrophobicContact CG2-CB 4.27Å; F439-D451 HydrophobicContact CD2-CB 4.3Å; F439-D451 WeakPolarHBondContact CD2-O 3.42Å; C440-D451 WeakPolarHBondContact CA-O 3.48Å; C440-D451 PolarHBondContact N-O 2.81Å; D445-D451 VanDerWaalsContact CA-OD2 3.26Å; D445-D451 WeakPolarHBondContact CA-OD2 3.26Å; D445-D451 WeakPolarHBondContact CB-OD2 3.43Å; D445-D451 PolarHBondContact N-OD2 3.25Å; C446-D451 HydrophobicContact CB-CB 4.29Å; C446-D451 WeakPolarHBondContact CB-OD1 3.04Å; C446-D451 VanDerWaalsContact N-CG 3.35Å; C446-D451 PolarHBondContact N-OD1 2.83Å; C446-D451 PolarHBondContact N-OD2 2.73Å; C446-D451 WeakPolarHBondContact SG-CB 2.77Å; C446-D451 PolarHBondContact SG-N 3.06Å; C446-D451 PolarHBondContact SG-OD1 2.83Å; G449-D451 VanDerWaalsContact C-N 3.31Å; G449-D451 WeakPolarHBondContact CA-OD1 3.3Å; G449-D451 PolarHBondContact O-N 3.13Å; D451-C457 PolarHBondContact O-SG 3.01Å
452	E	68.1	Low	58.8	Low	8 Å²	8	75.2 Å²	75.2	4%	0.037	38%	0.381	C	S	.	.	H	α-helix	trans	-119	-8.9	-178.5	-61.4	-58	179.3	0	0	113.8	C440 N441 G442 I443 G449 S450 C457 H459	C440-E452 VanDerWaalsContact C-OE2 3.31Å; C440-E452 WeakPolarHBondContact CA-OE2 3.27Å; N441-E452 PolarHBondContact N-OE1 3.35Å; N441-E452 PolarHBondContact OD1-OE1 2.91Å; G442-E452 PolarHBondContact N-OE1 2.93Å; I443-E452 PolarHBondContact N-OE1 2.97Å; I443-E452 VanDerWaalsContact N-OE1 3.12Å; I443-E452 WeakPolarHBondContact O-CG 3.47Å; I443-E452 VanDerWaalsContact O-OE1 3.08Å; G449-E452 CarbonylContact O-C 3.5Å; G449-E452 WeakPolarHBondContact O-CA 3.08Å; G449-E452 PolarHBondContact O-N 2.91Å; S450-E452 PolarHBondContact O-N 2.82Å; E452-C457 VanDerWaalsContact O-O 3.09Å; E452-H459 WeakPolarHBondContact CB-NE2 3.18Å; E452-H459 WeakPolarHBondContact CG-NE2 3.38Å; E452-H459 IonicContact OE1-CE1 3.67Å; E452-H459 IonicContact OE1-NE2 2.75Å; E452-H459 IonicContact OE2-CD2 3.71Å; E452-H459 IonicContact OE2-CE1 2.68Å; E452-H459 PolarHBondContact OE2-CE1 3.26Å; E452-H459 IonicContact OE2-ND1 3.95Å; E452-H459 IonicContact OE2-NE2 3.6Å; E452-H459 PolarHBondContact OE2-NE2 2.86Å
453	M	58.7	Low	57.8	Low	138 Å²	138	75.6 Å²	75.6	68%	0.68	37%	0.372	S	S	*	.	H	α-helix	trans	-104	1.4	-177.1	-158.9	69	73.8	0	0	113.4	G449 S450	G449-M453 WeakPolarHBondContact O-CB 3.37Å; G449-M453 PolarHBondContact O-N 3.19Å; S450-M453 PolarHBondContact O-N 3.04Å
454	N	53	Low	56.4	Low	56 Å²	56	74.3 Å²	74.3	30%	0.299	38%	0.377	S	S	.	.	S	Bend	trans	-63	144.1	175.7	-167.5	-18.2	0	0	0	110.2	F439 L456 C457	F439-N454 HydrophobicContact CE2-CB 4.09Å; F439-N454 HydrophobicContact CZ-CB 4.1Å; F439-N454 WeakPolarHBondContact CZ-ND2 3.47Å; N454-L456 PolarHBondContact O-N 2.68Å; N454-L456 PolarHBondContact OD1-N 2.91Å; N454-C457 HydrophobicContact CB-CB 4.12Å; N454-C457 CarbonylContact O-C 3.55Å; N454-C457 VanDerWaalsContact O-CA 3.32Å; N454-C457 WeakPolarHBondContact O-CA 3.45Å; N454-C457 WeakPolarHBondContact O-CB 3.14Å; N454-C457 PolarHBondContact O-N 2.68Å
455	E	48.2	Very low	55	Low	165 Å²	165	75.7 Å²	75.7	77%	0.771	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-25.2	173.5	-67.5	-172	170.8	0	0	112	H458	E455-H458 PolarHBondContact O-CD2 3.16Å; E455-H458 PolarHBondContact O-CE1 3.09Å; E455-H458 PolarHBondContact O-NE2 3.4Å
456	L	44.7	Very low	53.5	Low	110 Å²	110	74.6 Å²	74.6	58%	0.576	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-30.8	172.3	-62.9	166.6	0	0	0	113	N454 H458	N454-L456 PolarHBondContact O-N 2.68Å; N454-L456 PolarHBondContact OD1-N 2.91Å; L456-H458 PolarHBondContact O-N 3.26Å
457	C	49.8	Very low	53.1	Low	6 Å²	6	78.7 Å²	78.7	4%	0.041	40%	0.404	C	S	.	.			trans	-88.5	57.2	178	-59.8	0	0	0	0	111.9	F439 C440 D451 E452 N454 H459	F439-C457 WeakPolarHBondContact CE2-SG 2.96Å; F439-C457 WeakPolarHBondContact CZ-SG 3.25Å; C440-C457 HydrophobicContact CB-CB 3.81Å; C440-C457 WeakPolarHBondContact CB-SG 3.22Å; C440-C457 WeakPolarHBondContact SG-CA 3.47Å; C440-C457 WeakPolarHBondContact SG-CB 2.99Å; C440-C457 CovalentContact SG-SG 2.02Å; C440-C457 PolarHBondContact SG-SG 2.94Å; D451-C457 PolarHBondContact O-SG 3.01Å; E452-C457 VanDerWaalsContact O-O 3.09Å; N454-C457 HydrophobicContact CB-CB 4.12Å; N454-C457 CarbonylContact O-C 3.55Å; N454-C457 VanDerWaalsContact O-CA 3.32Å; N454-C457 WeakPolarHBondContact O-CA 3.45Å; N454-C457 WeakPolarHBondContact O-CB 3.14Å; N454-C457 PolarHBondContact O-N 2.68Å; C457-H459 PolarHBondContact O-N 2.79Å
458	H	48.2	Very low	53.1	Low	106 Å²	106	72 Å²	72	49%	0.491	38%	0.379	S	S	.	.			trans	-73	106.7	167.4	-51	-71.2	0	0	0	109.6	E455 L456 D460 K466	E455-H458 PolarHBondContact O-CD2 3.16Å; E455-H458 PolarHBondContact O-CE1 3.09Å; E455-H458 PolarHBondContact O-NE2 3.4Å; L456-H458 PolarHBondContact O-N 3.26Å; H458-D460 PolarHBondContact O-N 3.48Å; H458-K466 WeakPolarHBondContact O-CE 3.46Å; H458-K466 PolarHBondContact O-NZ 2.8Å
459	H	45.4	Very low	53.3	Low	81 Å²	81	70.4 Å²	70.4	38%	0.375	38%	0.377	S	S	.	.			trans	-64	-1.1	165.2	-94.1	-25.4	0	0	0	115.2	G442 E452 C457 N461	G442-H459 WeakPolarHBondContact CA-CE1 3.44Å; G442-H459 PolarHBondContact N-CE1 2.97Å; G442-H459 VanDerWaalsContact N-CE1 3.31Å; E452-H459 WeakPolarHBondContact CB-NE2 3.18Å; E452-H459 WeakPolarHBondContact CG-NE2 3.38Å; E452-H459 IonicContact OE1-CE1 3.67Å; E452-H459 IonicContact OE1-NE2 2.75Å; E452-H459 IonicContact OE2-CD2 3.71Å; E452-H459 IonicContact OE2-CE1 2.68Å; E452-H459 PolarHBondContact OE2-CE1 3.26Å; E452-H459 IonicContact OE2-ND1 3.95Å; E452-H459 IonicContact OE2-NE2 3.6Å; E452-H459 PolarHBondContact OE2-NE2 2.86Å; C457-H459 PolarHBondContact O-N 2.79Å; H459-N461 PolarHBondContact O-N 2.64Å
460	D	36.6	Very low	53.4	Low	60 Å²	60	72.8 Å²	72.8	32%	0.321	39%	0.387	S	S	.	.			trans	-66.9	94.1	166.5	-154.7	-21.6	0	0	0	107.8	H458 S462 R465	H458-D460 PolarHBondContact O-N 3.48Å; D460-S462 CarbonylContact O-C 3.57Å; D460-S462 PolarHBondContact O-N 2.97Å; D460-S462 VanDerWaalsContact OD1-CB 3.28Å; D460-S462 WeakPolarHBondContact OD1-CB 3.42Å; D460-S462 PolarHBondContact OD1-N 2.86Å; D460-S462 VanDerWaalsContact OD1-N 3.16Å; D460-S462 PolarHBondContact OD1-OG 2.83Å; D460-S462 PolarHBondContact OD2-OG 2.87Å; D460-R465 WeakPolarHBondContact OD2-CD 3.22Å; D460-R465 IonicContact OD2-CZ 3.56Å; D460-R465 IonicContact OD2-NE 2.72Å; D460-R465 IonicContact OD2-NH1 2.67Å; D460-R465 PolarHBondContact OD2-NH1 2.79Å
461	N	42.7	Very low	53.9	Low	159 Å²	159	72.8 Å²	72.8	85%	0.85	39%	0.387	S	S	*	.			trans	-56.2	-5.5	170.7	-97.5	-29.4	0	0	0	111.8	H459 I463	H459-N461 PolarHBondContact O-N 2.64Å; N461-I463 PolarHBondContact O-N 2.77Å; N461-I463 VanDerWaalsContact O-N 3.17Å
462	S	41.5	Very low	53.8	Low	42 Å²	42	74.8 Å²	74.8	29%	0.294	40%	0.404	S	S	.	.			trans	-75.7	96.6	160.9	77.9	0	0	0	0	110.7	D460 A464 R465	D460-S462 CarbonylContact O-C 3.57Å; D460-S462 PolarHBondContact O-N 2.97Å; D460-S462 VanDerWaalsContact OD1-CB 3.28Å; D460-S462 WeakPolarHBondContact OD1-CB 3.42Å; D460-S462 PolarHBondContact OD1-N 2.86Å; D460-S462 VanDerWaalsContact OD1-N 3.16Å; D460-S462 PolarHBondContact OD1-OG 2.83Å; D460-S462 PolarHBondContact OD2-OG 2.87Å; S462-A464 PolarHBondContact O-N 2.8Å; S462-R465 PolarHBondContact O-N 2.81Å
463	I	41.5	Very low	53.9	Low	55 Å²	55	76.4 Å²	76.4	28%	0.282	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.7	-18.9	159.1	-67.8	162.4	0	0	0	111.6	N461 R465 F590 K592	N461-I463 PolarHBondContact O-N 2.77Å; N461-I463 VanDerWaalsContact O-N 3.17Å; I463-R465 PolarHBondContact O-N 3.36Å; I463-F590 HydrophobicContact CG2-CB 3.59Å; I463-F590 WeakPolarHBondContact CG2-O 3.5Å; I463-K592 HydrophobicContact CD1-CG 4.48Å
464	A	40.3	Very low	54.1	Low	80 Å²	80	72.5 Å²	72.5	66%	0.661	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-28.9	177.6	0	0	0	0	0	115.8	S462	S462-A464 PolarHBondContact O-N 2.8Å
465	R	44.3	Very low	54.7	Low	205 Å²	205	71.6 Å²	71.6	77%	0.774	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-20.6	-178.5	-77.9	-171.2	-179.8	149.9	-8.5	115.4	D460 S462 I463	D460-R465 WeakPolarHBondContact OD2-CD 3.22Å; D460-R465 IonicContact OD2-CZ 3.56Å; D460-R465 IonicContact OD2-NE 2.72Å; D460-R465 IonicContact OD2-NH1 2.67Å; D460-R465 PolarHBondContact OD2-NH1 2.79Å; S462-R465 PolarHBondContact O-N 2.81Å; I463-R465 PolarHBondContact O-N 3.36Å
466	K	46.1	Very low	55.4	Low	24 Å²	24	65.5 Å²	65.5	10%	0.104	36%	0.364	C	S	.	.			trans	-82.3	138.1	-179.5	-63.4	-179.8	179.6	174.1	0	110.9	H458 F470 M595	H458-K466 WeakPolarHBondContact O-CE 3.46Å; H458-K466 PolarHBondContact O-NZ 2.8Å; K466-F470 HydrophobicContact CD-CB 3.94Å; K466-F470 HydrophobicContact CD-CD1 3.91Å; K466-F470 HydrophobicContact CD-CD2 3.89Å; K466-F470 HydrophobicContact CD-CE1 4.42Å; K466-F470 HydrophobicContact CD-CE2 4.43Å; K466-F470 HydrophobicContact CD-CG 3.61Å; K466-F470 VanDerWaalsContact NZ-CZ 3.3Å; K466-M595 HydrophobicContact CB-CE 3.47Å; K466-M595 VanDerWaalsContact CB-CE 3.47Å
467	S	64.3	Low	56.1	Low	89 Å²	89	65.8 Å²	65.8	62%	0.622	36%	0.364	S	S	*	.			trans	-104.8	-36.7	-179.7	59.7	0	0	0	0	114.1	P596	S467-P596 WeakPolarHBondContact O-CG 3.21Å
468	C	73.1	Confident	56.4	Low	41 Å²	41	69.6 Å²	69.6	28%	0.277	38%	0.384	S	S	.	.	S	Bend	trans	-160.9	171.8	179.9	65.1	0	0	0	0	113.6	F470 P596 C598	C468-F470 VanDerWaalsContact C-N 3.3Å; C468-F470 PolarHBondContact O-N 2.84Å; C468-P596 CarbonylContact C-O 3.44Å; C468-P596 WeakPolarHBondContact CA-O 3.45Å; C468-P596 HydrophobicContact CB-CB 4.48Å; C468-P596 HydrophobicContact CB-CG 4.13Å; C468-C598 HydrophobicContact CB-CB 4.05Å; C468-C598 WeakPolarHBondContact CB-SG 3.4Å; C468-C598 WeakPolarHBondContact SG-CA 3.5Å; C468-C598 WeakPolarHBondContact SG-CB 2.91Å; C468-C598 CovalentContact SG-SG 2.06Å; C468-C598 PolarHBondContact SG-SG 3.01Å
469	G	71.6	Confident	56.5	Low	27 Å²	27	68.8 Å²	68.8	28%	0.278	39%	0.387	S	S	.	.	S	Bend	trans	77.3	5.2	166.7	0	0	0	0	0	115.9	P596 C598	G469-P596 PolarHBondContact N-O 3.48Å; G469-C598 PolarHBondContact N-SG 3.1Å; G469-C598 VanDerWaalsContact N-SG 3.4Å
470	F	71.2	Confident	56.8	Low	50 Å²	50	67.7 Å²	67.7	22%	0.219	38%	0.383	C	S	.	.			trans	-101.3	135.1	-174.9	177	-103.7	0	0	0	111.9	K466 C468 A472 P496 M595	K466-F470 HydrophobicContact CD-CB 3.94Å; K466-F470 HydrophobicContact CD-CD1 3.91Å; K466-F470 HydrophobicContact CD-CD2 3.89Å; K466-F470 HydrophobicContact CD-CE1 4.42Å; K466-F470 HydrophobicContact CD-CE2 4.43Å; K466-F470 HydrophobicContact CD-CG 3.61Å; K466-F470 VanDerWaalsContact NZ-CZ 3.3Å; C468-F470 VanDerWaalsContact C-N 3.3Å; C468-F470 PolarHBondContact O-N 2.84Å; F470-A472 HydrophobicContact CE1-CB 4.05Å; F470-A472 HydrophobicContact CZ-CB 4.37Å; F470-P496 VanDerWaalsContact O-CG 3.24Å; F470-P496 WeakPolarHBondContact O-CG 3.43Å; F470-M595 HydrophobicContact CB-CE 4.2Å; F470-M595 HydrophobicContact CB-CG 4.19Å; F470-M595 WeakPolarHBondContact O-CG 3.41Å
471	S	73.5	Confident	57.1	Low	26 Å²	26	73 Å²	73	18%	0.182	41%	0.411	C	S	.	.			trans	-122.8	129.2	167.3	-172.9	0	0	0	0	111.2	V473 S494 P496	S471-V473 VanDerWaalsContact C-N 3.31Å; S471-V473 PolarHBondContact OG-N 2.85Å; S471-V473 PolarHBondContact OG-O 2.81Å; S471-S494 WeakPolarHBondContact CB-O 3.36Å; S471-S494 PolarHBondContact OG-O 3.5Å; S471-P496 WeakPolarHBondContact OG-CD 3.45Å
472	A	66.9	Low	57.3	Low	43 Å²	43	69 Å²	69	36%	0.355	39%	0.389	S	S	.	.	S	Bend	trans	-77.8	-19.4	176.5	0	0	0	0	0	112.7	F470 K592	F470-A472 HydrophobicContact CE1-CB 4.05Å; F470-A472 HydrophobicContact CZ-CB 4.37Å; A472-K592 HydrophobicContact CB-CB 3.72Å; A472-K592 HydrophobicContact CB-CD 4.35Å; A472-K592 HydrophobicContact CB-CG 3.87Å
473	V	71.1	Confident	57.6	Low	41 Å²	41	76.7 Å²	76.7	25%	0.248	42%	0.418	C	S	.	.	S	Bend	trans	-117.6	117.5	177.1	-179.1	0	0	0	0	107.4	S471 P475 K491 H493 S494	S471-V473 VanDerWaalsContact C-N 3.31Å; S471-V473 PolarHBondContact OG-N 2.85Å; S471-V473 PolarHBondContact OG-O 2.81Å; V473-P475 WeakPolarHBondContact O-CD 3.47Å; V473-K491 HydrophobicContact CG1-CD 3.79Å; V473-K491 HydrophobicContact CG1-CG 4.07Å; V473-H493 HydrophobicContact CG2-CB 4.24Å; V473-S494 WeakPolarHBondContact O-CA 3.21Å; V473-S494 VanDerWaalsContact O-CB 3.24Å; V473-S494 WeakPolarHBondContact O-CB 3.34Å
474	Q	62.6	Low	57.8	Low	57 Å²	57	80.4 Å²	80.4	27%	0.266	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-60.4	129.7	-179	-69.5	-177.9	5.1	0	0	111.8	L436 F439 K491	L436-Q474 VanDerWaalsContact O-CD 3.25Å; L436-Q474 PolarHBondContact O-NE2 3.24Å; L436-Q474 PolarHBondContact O-OE1 3.18Å; F439-Q474 PolarHBondContact O-NE2 2.99Å; Q474-K491 VanDerWaalsContact O-CD 3.31Å; Q474-K491 WeakPolarHBondContact O-CD 3.48Å
475	P	66.1	Low	58.2	Low	37 Å²	37	81 Å²	81	24%	0.24	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-61.8	143.5	172.7	-21.3	32	0	0	0	112.7	V473 W495	V473-P475 WeakPolarHBondContact O-CD 3.47Å; P475-W495 HydrophobicContact CB-CH2 4.19Å; P475-W495 HydrophobicContact CB-CZ2 3.52Å; P475-W495 HydrophobicContact CG-CD2 4.36Å; P475-W495 HydrophobicContact CG-CH2 4.24Å; P475-W495 HydrophobicContact CG-CZ2 3.95Å
476	N	61.9	Low	58.6	Low	36 Å²	36	79.6 Å²	79.6	19%	0.193	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-73.5	126.2	163.1	54.4	-29.3	0	0	0	109.2	E489 K491 R634	N476-E489 PolarHBondContact ND2-O 3.27Å; N476-K491 PolarHBondContact OD1-N 3.16Å; N476-R634 PolarHBondContact ND2-NE 3.45Å; N476-R634 WeakPolarHBondContact O-CD 3.36Å; N476-R634 PolarHBondContact O-NE 2.83Å; N476-R634 PolarHBondContact OD1-NE 3.27Å
477	M	58.8	Low	59.3	Low	116 Å²	116	79.6 Å²	79.6	57%	0.571	43%	0.428	S	S	*	.			trans	-107.9	3.5	-175.7	-69.6	-64.5	-146	0	0	113.7	M613	M477-M613 HydrophobicContact SD-CE 3.73Å
478	D	56.1	Low	59.3	Low	86 Å²	86	76.8 Å²	76.8	46%	0.46	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-53.1	141.3	-174.4	-31.3	-48	0	0	0	112.9	L488 R634	D478-L488 WeakPolarHBondContact O-CD1 3.33Å; D478-R634 VanDerWaalsContact N-NH2 3.17Å; D478-R634 VanDerWaalsContact O-CZ 3.31Å; D478-R634 PolarHBondContact O-NH1 2.99Å; D478-R634 PolarHBondContact O-NH2 2.8Å; D478-R634 IonicContact OD2-NH2 3.23Å; D478-R634 PolarHBondContact OD2-NH2 2.88Å
479	T	51.9	Low	59.3	Low	89 Å²	89	79.3 Å²	79.3	55%	0.546	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-77.5	148.9	170.5	50.5	0	0	0	0	111.3	L481 L636	T479-L481 PolarHBondContact O-N 2.88Å; T479-L481 VanDerWaalsContact O-N 3.16Å; T479-L636 HydrophobicContact CG2-CD2 4.04Å
480	I	51	Low	59.3	Low	59 Å²	59	78.3 Å²	78.3	30%	0.303	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-61.1	116.5	173.7	-64.3	167.5	0	0	0	109	D482 Q485 L488 L635	I480-D482 WeakPolarHBondContact CG2-O 3.47Å; I480-Q485 HydrophobicContact CG2-CB 4.01Å; I480-Q485 WeakPolarHBondContact CG2-O 3.15Å; I480-L488 HydrophobicContact CG1-CD1 4.01Å; I480-L488 HydrophobicContact CG1-CG 4Å; I480-L635 HydrophobicContact CD1-CD1 3.86Å
481	L	43.8	Very low	59.5	Low	172 Å²	172	81.3 Å²	81.3	90%	0.901	42%	0.415	S	S	*	.			trans	-84.5	-21.8	178.1	-70	167.9	0	0	0	112.9	T479	T479-L481 PolarHBondContact O-N 2.88Å; T479-L481 VanDerWaalsContact O-N 3.16Å
482	D	45.4	Very low	59.8	Low	73 Å²	73	82.4 Å²	82.4	39%	0.39	43%	0.425	S	S	.	.	S	Bend	trans	-115.4	122.6	-172.2	-174.4	-5.3	0	0	0	111.1	I480 N484 Q485	I480-D482 WeakPolarHBondContact CG2-O 3.47Å; D482-N484 PolarHBondContact O-N 2.75Å; D482-N484 PolarHBondContact OD1-N 2.89Å; D482-Q485 HydrophobicContact CB-CG 4.38Å; D482-Q485 PolarHBondContact O-N 2.84Å
483	F	49.1	Very low	60.5	Low	205 Å²	205	83.3 Å²	83.3	90%	0.899	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-17	177.9	-76.5	-83	0	0	0	114
484	N	44.1	Very low	60.9	Low	132 Å²	132	81.3 Å²	81.3	71%	0.706	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-1.8	178.8	-67	-40.4	0	0	0	114.7	D482	D482-N484 PolarHBondContact O-N 2.75Å; D482-N484 PolarHBondContact OD1-N 2.89Å
485	Q	49.4	Very low	62	Low	92 Å²	92	79.9 Å²	79.9	43%	0.43	40%	0.403	S	S	.	.			trans	-106.3	129.4	178.2	-68.3	-177	0.9	0	0	110.9	I480 D482	I480-Q485 HydrophobicContact CG2-CB 4.01Å; I480-Q485 WeakPolarHBondContact CG2-O 3.15Å; D482-Q485 HydrophobicContact CB-CG 4.38Å; D482-Q485 PolarHBondContact O-N 2.84Å
486	Y	52	Low	63	Low	177 Å²	177	78.2 Å²	78.2	69%	0.694	39%	0.392	S	S	*	.	S	Bend	trans	-101.9	-13.7	-179.6	-62.7	-87.2	0	0	0	113.5	L635	Y486-L635 WeakPolarHBondContact O-CD1 3.26Å
487	A	61.7	Low	64.4	Low	24 Å²	24	77.9 Å²	77.9	20%	0.198	39%	0.388	C	S	.	.			trans	-156.1	157.3	177.9	0	0	0	0	0	109.8	M618 Q633 R634	A487-M618 HydrophobicContact CB-SD 4.23Å; A487-Q633 HydrophobicContact CB-CB 4.03Å; A487-R634 WeakPolarHBondContact CA-O 3.43Å
488	L	64.5	Low	65.9	Low	30 Å²	30	72.5 Å²	72.5	16%	0.157	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	145.7	176.3	-66.8	172.1	0	0	0	110.3	D478 I480 A490 Q633 R634	D478-L488 WeakPolarHBondContact O-CD1 3.33Å; I480-L488 HydrophobicContact CG1-CD1 4.01Å; I480-L488 HydrophobicContact CG1-CG 4Å; L488-A490 PolarHBondContact O-N 2.82Å; L488-Q633 CarbonylContact O-C 3.41Å; L488-Q633 WeakPolarHBondContact O-CA 3.43Å; L488-Q633 PolarHBondContact O-OE1 2.02Å; L488-Q633 VanDerWaalsContact O-OE1 3.09Å; L488-R634 HydrophobicContact CB-CG 4.17Å; L488-R634 VanDerWaalsContact CD1-NH2 3.3Å; L488-R634 PolarHBondContact N-O 2.94Å; L488-R634 WeakPolarHBondContact O-CG 3.31Å; L488-R634 PolarHBondContact O-N 3.49Å
489	E	72	Confident	67.6	Low	94 Å²	94	68.4 Å²	68.4	44%	0.439	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	128.9	175.4	-175.6	171	170.5	0	0	109.2	N476 K631	N476-E489 PolarHBondContact ND2-O 3.27Å; E489-K631 VanDerWaalsContact CD-NZ 3.28Å; E489-K631 HydrophobicContact CG-CD 4.5Å; E489-K631 WeakPolarHBondContact OE1-CD 3.42Å; E489-K631 IonicContact OE1-NZ 3.19Å; E489-K631 PolarHBondContact OE1-NZ 2.92Å; E489-K631 IonicContact OE2-NZ 2.81Å; E489-K631 PolarHBondContact OE2-NZ 2.94Å
490	A	71.5	Confident	69.4	Low	6 Å²	6	64.2 Å²	64.2	5%	0.05	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-74	135.6	175.1	0	0	0	0	0	109.6	L488 A492 L632	L488-A490 PolarHBondContact O-N 2.82Å; A490-A492 PolarHBondContact O-N 2.86Å; A490-L632 HydrophobicContact CB-CB 4.21Å; A490-L632 HydrophobicContact CB-CD2 3.94Å; A490-L632 HydrophobicContact CB-CG 3.89Å; A490-L632 WeakPolarHBondContact CB-O 3.41Å; A490-L632 PolarHBondContact N-O 2.78Å
491	K	75.5	Confident	71.3	Confident	113 Å²	113	61.4 Å²	61.4	49%	0.491	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-54.2	131.6	173.4	-172.8	179.1	-178.7	179	0	109.6	V473 Q474 N476 H493 S494	V473-K491 HydrophobicContact CG1-CD 3.79Å; V473-K491 HydrophobicContact CG1-CG 4.07Å; Q474-K491 VanDerWaalsContact O-CD 3.31Å; Q474-K491 WeakPolarHBondContact O-CD 3.48Å; N476-K491 PolarHBondContact OD1-N 3.16Å; K491-H493 PolarHBondContact O-N 3.03Å; K491-S494 VanDerWaalsContact O-CB 3.25Å; K491-S494 WeakPolarHBondContact O-CB 3.35Å; K491-S494 PolarHBondContact O-N 2.91Å; K491-S494 PolarHBondContact O-OG 2.78Å
492	A	79.8	Confident	73.5	Confident	48 Å²	48	53.4 Å²	53.4	40%	0.397	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	130.7	-175.3	0	0	0	0	0	111.7	A490 S494	A490-A492 PolarHBondContact O-N 2.86Å; A492-S494 PolarHBondContact O-N 3.06Å; A492-S494 VanDerWaalsContact O-N 3.14Å
493	H	82.5	Confident	75.6	Confident	62 Å²	62	54 Å²	54	29%	0.287	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	12.8	178.7	-47.2	-69.2	0	0	0	116	V473 K491 W495 G544 T593	V473-H493 HydrophobicContact CG2-CB 4.24Å; K491-H493 PolarHBondContact O-N 3.03Å; H493-W495 VanDerWaalsContact C-N 3.31Å; H493-W495 PolarHBondContact O-N 3.12Å; H493-G544 PolarHBondContact ND1-O 3.03Å; H493-T593 HydrophobicContact CB-CG2 3.98Å; H493-T593 WeakPolarHBondContact ND1-CG2 3.43Å
494	S	79.3	Confident	77.5	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	-76.1	-16.5	179	61.4	0	0	0	0	115.3	S471 V473 K491 A492 P496	S471-S494 WeakPolarHBondContact CB-O 3.36Å; S471-S494 PolarHBondContact OG-O 3.5Å; V473-S494 WeakPolarHBondContact O-CA 3.21Å; V473-S494 VanDerWaalsContact O-CB 3.24Å; V473-S494 WeakPolarHBondContact O-CB 3.34Å; K491-S494 VanDerWaalsContact O-CB 3.25Å; K491-S494 WeakPolarHBondContact O-CB 3.35Å; K491-S494 PolarHBondContact O-N 2.91Å; K491-S494 PolarHBondContact O-OG 2.78Å; A492-S494 PolarHBondContact O-N 3.06Å; A492-S494 VanDerWaalsContact O-N 3.14Å; S494-P496 WeakPolarHBondContact O-CD 3.39Å
495	W	86.5	Confident	79.3	Confident	27 Å²	27	43.3 Å²	43.3	10%	0.102	21%	0.212	C	C	.	.			trans	-120.4	75.8	177.7	-57.7	94.8	0	0	0	109.6	P475 H493 W497 S498 M613 L615 L632	P475-W495 HydrophobicContact CB-CH2 4.19Å; P475-W495 HydrophobicContact CB-CZ2 3.52Å; P475-W495 HydrophobicContact CG-CD2 4.36Å; P475-W495 HydrophobicContact CG-CH2 4.24Å; P475-W495 HydrophobicContact CG-CZ2 3.95Å; H493-W495 VanDerWaalsContact C-N 3.31Å; H493-W495 PolarHBondContact O-N 3.12Å; W495-W497 AromaticContact CE3-CE2 3.67Å; W495-W497 HydrophobicContact CE3-CH2 4.33Å; W495-W497 AromaticContact CE3-CZ2 3.33Å; W495-W497 HydrophobicContact CE3-CZ2 3.33Å; W495-W497 AromaticContact CE3-NE1 3.65Å; W495-W497 AromaticContact CZ3-CZ2 3.64Å; W495-W497 HydrophobicContact CZ3-CZ2 3.64Å; W495-W497 PolarHBondContact O-N 3.35Å; W495-W497 VanDerWaalsContact O-N 3.11Å; W495-S498 WeakPolarHBondContact O-CB 3.23Å; W495-S498 PolarHBondContact O-N 3.11Å; W495-M613 HydrophobicContact CH2-CB 4.13Å; W495-M613 HydrophobicContact CH2-CG 3.82Å; W495-M613 HydrophobicContact CZ2-CG 3.84Å; W495-L615 HydrophobicContact CB-CD1 3.93Å; W495-L615 HydrophobicContact CD2-CD1 3.59Å; W495-L615 HydrophobicContact CD2-CD2 3.8Å; W495-L615 HydrophobicContact CD2-CG 4.29Å; W495-L615 HydrophobicContact CE3-CD1 3.56Å; W495-L615 HydrophobicContact CE3-CD2 4.45Å; W495-L615 HydrophobicContact CE3-CG 4.5Å; W495-L615 HydrophobicContact CG-CD1 3.75Å; W495-L615 HydrophobicContact CG-CD2 3.85Å; W495-L615 HydrophobicContact CG-CG 4.48Å; W495-L615 HydrophobicContact CZ2-CD2 4.32Å; W495-L615 HydrophobicContact CZ3-CD1 4.26Å; W495-L632 HydrophobicContact CB-CD2 4.08Å; W495-L632 HydrophobicContact CG-CD2 4.42Å
496	P	85.6	Confident	80.6	Confident	2 Å²	2	49 Å²	49	1%	0.013	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-8.5	-170.2	30.9	-39.5	0	0	0	114.4	F470 S471 S494 S498 T593 I594 M595	F470-P496 VanDerWaalsContact O-CG 3.24Å; F470-P496 WeakPolarHBondContact O-CG 3.43Å; S471-P496 WeakPolarHBondContact OG-CD 3.45Å; S494-P496 WeakPolarHBondContact O-CD 3.39Å; P496-S498 VanDerWaalsContact C-N 3.35Å; P496-T593 VanDerWaalsContact CA-O 3.24Å; P496-T593 WeakPolarHBondContact CA-O 3.31Å; P496-T593 WeakPolarHBondContact CB-O 2.92Å; P496-I594 WeakPolarHBondContact O-CA 3.17Å; P496-M595 CarbonylContact C-O 3.59Å; P496-M595 HydrophobicContact CB-CB 3.83Å; P496-M595 HydrophobicContact CG-CB 3.78Å; P496-M595 PolarHBondContact O-N 2.87Å
497	W	91.6	Very high	81.5	Confident	28 Å²	28	51 Å²	51	11%	0.106	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-7.2	170.9	47.8	82.3	0	0	0	113.2	W495 A499 T516 L517 M595 V597	W495-W497 AromaticContact CE3-CE2 3.67Å; W495-W497 HydrophobicContact CE3-CH2 4.33Å; W495-W497 AromaticContact CE3-CZ2 3.33Å; W495-W497 HydrophobicContact CE3-CZ2 3.33Å; W495-W497 AromaticContact CE3-NE1 3.65Å; W495-W497 AromaticContact CZ3-CZ2 3.64Å; W495-W497 HydrophobicContact CZ3-CZ2 3.64Å; W495-W497 PolarHBondContact O-N 3.35Å; W495-W497 VanDerWaalsContact O-N 3.11Å; W497-A499 PolarHBondContact O-N 3.33Å; W497-T516 HydrophobicContact CB-CG2 3.79Å; W497-T516 HydrophobicContact CG-CG2 4.02Å; W497-T516 WeakPolarHBondContact O-CA 3.42Å; W497-L517 HydrophobicContact CB-CB 4.33Å; W497-L517 PolarHBondContact O-N 2.84Å; W497-M595 WeakPolarHBondContact CA-O 3.34Å; W497-M595 WeakPolarHBondContact CB-O 3.47Å; W497-M595 PolarHBondContact N-O 2.92Å; W497-V597 HydrophobicContact CB-CB 4.01Å; W497-V597 HydrophobicContact CD2-CB 3.7Å; W497-V597 HydrophobicContact CD2-CG2 4.08Å; W497-V597 HydrophobicContact CE3-CB 4.08Å; W497-V597 HydrophobicContact CE3-CG2 4.41Å; W497-V597 HydrophobicContact CG-CB 3.69Å; W497-V597 HydrophobicContact CG-CG1 4.46Å; W497-V597 HydrophobicContact CG-CG2 4.45Å; W497-V597 HydrophobicContact CZ2-CG2 4.23Å
498	S	90.8	Very high	82.2	Confident	4 Å²	4	52.1 Å²	52.1	3%	0.028	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	127.3	176.3	-179.2	0	0	0	0	111	W495 P496 Y514 W617 L632	W495-S498 WeakPolarHBondContact O-CB 3.23Å; W495-S498 PolarHBondContact O-N 3.11Å; P496-S498 VanDerWaalsContact C-N 3.35Å; S498-Y514 VanDerWaalsContact OG-CE2 3.28Å; S498-Y514 WeakPolarHBondContact OG-CE2 3.46Å; S498-W617 WeakPolarHBondContact OG-CZ2 3.5Å; S498-L632 WeakPolarHBondContact OG-CD1 3.26Å
499	A	91.4	Very high	83	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	147.5	174.8	0	0	0	0	0	110.7	W497 A515 L523 V541 R542 L543 W617	W497-A499 PolarHBondContact O-N 3.33Å; A499-A515 WeakPolarHBondContact CA-O 2.96Å; A499-A515 HydrophobicContact CB-CB 4.1Å; A499-A515 VanDerWaalsContact CB-O 3.25Å; A499-A515 WeakPolarHBondContact CB-O 3.43Å; A499-A515 PolarHBondContact N-O 2.83Å; A499-A515 PolarHBondContact O-N 3.18Å; A499-L523 HydrophobicContact CB-CD2 3.42Å; A499-L523 VanDerWaalsContact CB-CD2 3.42Å; A499-V541 HydrophobicContact CB-CG1 3.82Å; A499-R542 VanDerWaalsContact CA-O 3.32Å; A499-R542 WeakPolarHBondContact CA-O 3.4Å; A499-L543 HydrophobicContact CB-CD2 3.46Å; A499-L543 VanDerWaalsContact CB-CD2 3.46Å; A499-L543 HydrophobicContact CB-CG 4.37Å; A499-W617 PolarHBondContact O-NE1 3.33Å
500	A	90.6	Very high	83.5	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	129.6	168.3	0	0	0	0	0	109.7	I502 V541 R542 L548 W617	A500-I502 HydrophobicContact CB-CG1 4.38Å; A500-V541 CarbonylContact O-C 3.59Å; A500-V541 WeakPolarHBondContact O-CA 3.4Å; A500-R542 HydrophobicContact CB-CB 4.42Å; A500-R542 PolarHBondContact N-O 3.5Å; A500-R542 PolarHBondContact O-N 3.25Å; A500-L548 HydrophobicContact CB-CD1 4.48Å; A500-L548 HydrophobicContact CB-CD2 3.37Å; A500-W617 HydrophobicContact CB-CZ2 4.49Å
501	I	90.7	Very high	84	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	122.3	167.4	-61	172.9	0	0	0	106.9	V512 C513 A515 T525 C529 M530 Y539 L582	I501-V512 HydrophobicContact CB-CG2 4.22Å; I501-V512 HydrophobicContact CG2-CG2 3.81Å; I501-V512 VanDerWaalsContact O-CG2 3.24Å; I501-V512 WeakPolarHBondContact O-CG2 3.48Å; I501-V512 PolarHBondContact O-N 2.99Å; I501-C513 HydrophobicContact CB-CB 4.17Å; I501-C513 HydrophobicContact CD1-CB 4.13Å; I501-C513 PolarHBondContact N-O 2.81Å; I501-C513 PolarHBondContact O-N 3.31Å; I501-A515 HydrophobicContact CD1-CB 3.82Å; I501-A515 HydrophobicContact CG1-CB 3.83Å; I501-T525 HydrophobicContact CD1-CG2 3.9Å; I501-T525 WeakPolarHBondContact CD1-OG1 3.45Å; I501-C529 VanDerWaalsContact CD1-SG 3.58Å; I501-M530 HydrophobicContact CD1-CE 4.47Å; I501-M530 HydrophobicContact CG2-CE 4.02Å; I501-Y539 HydrophobicContact CG2-CD1 3.74Å; I501-Y539 HydrophobicContact CG2-CG 4.18Å; I501-L582 HydrophobicContact CD1-CD1 3.63Å; I501-L582 HydrophobicContact CG1-CD1 4.16Å
502	I	89.7	Confident	84.4	Confident	5 Å²	5	49.6 Å²	49.6	3%	0.026	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	126.6	-176.1	-61.3	175.5	0	0	0	108	A500 D509 E510 P511 Y539 V540 R542 L554	A500-I502 HydrophobicContact CB-CG1 4.38Å; I502-D509 HydrophobicContact CG2-CB 3.58Å; I502-E510 CarbonylContact C-O 3.56Å; I502-E510 WeakPolarHBondContact CA-O 3.07Å; I502-P511 HydrophobicContact CG1-CB 4.45Å; I502-Y539 CarbonylContact O-C 3.58Å; I502-Y539 WeakPolarHBondContact O-CA 3.43Å; I502-V540 HydrophobicContact CB-CG2 4.03Å; I502-V540 HydrophobicContact CG2-CG2 4.27Å; I502-V540 PolarHBondContact N-O 2.67Å; I502-V540 PolarHBondContact O-N 2.63Å; I502-R542 HydrophobicContact CD1-CB 3.7Å; I502-L554 HydrophobicContact CD1-CD2 4.11Å
503	R	89.4	Confident	84.7	Confident	86 Å²	86	48.2 Å²	48.2	33%	0.325	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	126.7	174.5	-176.8	175	62.6	175.1	0.5	109.6	G505 D509 E510 V512 Y539	R503-G505 PolarHBondContact O-N 2.88Å; R503-D509 WeakPolarHBondContact O-CA 3.31Å; R503-E510 IonicContact CZ-OE2 2.71Å; R503-E510 PolarHBondContact N-O 2.9Å; R503-E510 IonicContact NE-OE2 3.81Å; R503-E510 IonicContact NH2-OE2 2.84Å; R503-E510 PolarHBondContact NH2-OE2 3.38Å; R503-E510 PolarHBondContact O-N 2.95Å; R503-V512 HydrophobicContact CB-CG1 3.74Å; R503-V512 HydrophobicContact CB-CG2 4.41Å; R503-Y539 HydrophobicContact CB-CD1 3.87Å; R503-Y539 HydrophobicContact CB-CE1 3.8Å; R503-Y539 HydrophobicContact CG-CD1 4.3Å; R503-Y539 HydrophobicContact CG-CE1 3.98Å
504	K	88.9	Confident	84.9	Confident	74 Å²	74	45.8 Å²	45.8	32%	0.322	23%	0.234	S	C	.	.			trans	-69.2	123.9	174.3	-59.4	176.9	-170.8	172.3	0	109.2	D509 N537 A538 V540 E556	K504-D509 WeakPolarHBondContact CA-OD1 3.3Å; K504-N537 PolarHBondContact NZ-O 3.19Å; K504-N537 VanDerWaalsContact NZ-O 3.17Å; K504-A538 PolarHBondContact N-O 3.23Å; K504-V540 HydrophobicContact CG-CG2 4.49Å; K504-E556 IonicContact NZ-OE1 3.29Å; K504-E556 PolarHBondContact NZ-OE1 2.5Å; K504-E556 IonicContact NZ-OE2 3.74Å; K504-E556 PolarHBondContact NZ-OE2 2.87Å
505	G	82.9	Confident	85.5	Confident	38 Å²	38	45.8 Å²	45.8	39%	0.392	23%	0.234	S	C	.	.			trans	-132.1	149.2	-178.4	0	0	0	0	0	112.3	R503 K507 G508	R503-G505 PolarHBondContact O-N 2.88Å; G505-K507 PolarHBondContact O-N 2.98Å; G505-G508 WeakPolarHBondContact CA-O 3.28Å; G505-G508 PolarHBondContact O-N 2.97Å
506	Q	75.7	Confident	85.7	Confident	211 Å²	211	44.5 Å²	44.5	99%	0.986	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-28.7	174.1	-70.2	-170.2	-23.7	0	0	112.8
507	K	71.4	Confident	86	Confident	220 Å²	220	44.4 Å²	44.4	96%	0.957	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.9	8.2	-179.6	-67.2	-173	177.1	-177	0	113.5	G505	G505-K507 PolarHBondContact O-N 2.98Å
508	G	76.6	Confident	85.8	Confident	47 Å²	47	44.3 Å²	44.3	49%	0.485	23%	0.229	S	C	.	.			trans	120.8	156.1	-172.2	0	0	0	0	0	112.1	G505	G505-G508 WeakPolarHBondContact CA-O 3.28Å; G505-G508 PolarHBondContact O-N 2.97Å
509	D	81.5	Confident	85.4	Confident	88 Å²	88	45.9 Å²	45.9	47%	0.471	24%	0.241	S	C	.	.			trans	-80	130.4	179.4	-77.1	-5.2	0	0	0	110.2	I502 R503 K504	I502-D509 HydrophobicContact CG2-CB 3.58Å; R503-D509 WeakPolarHBondContact O-CA 3.31Å; K504-D509 WeakPolarHBondContact CA-OD1 3.3Å
510	E	81.6	Confident	85	Confident	67 Å²	67	50.9 Å²	50.9	31%	0.313	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	123.8	-176.3	-175.3	-169	159.4	0	0	110.3	I502 R503 V512 R656	I502-E510 CarbonylContact C-O 3.56Å; I502-E510 WeakPolarHBondContact CA-O 3.07Å; R503-E510 IonicContact CZ-OE2 2.71Å; R503-E510 PolarHBondContact N-O 2.9Å; R503-E510 IonicContact NE-OE2 3.81Å; R503-E510 IonicContact NH2-OE2 2.84Å; R503-E510 PolarHBondContact NH2-OE2 3.38Å; R503-E510 PolarHBondContact O-N 2.95Å; E510-V512 HydrophobicContact CG-CG1 4.5Å; E510-V512 PolarHBondContact O-N 3.06Å; E510-R656 IonicContact OE1-CZ 3.14Å; E510-R656 IonicContact OE1-NH1 3.56Å; E510-R656 IonicContact OE1-NH2 3.39Å; E510-R656 PolarHBondContact OE1-NH2 3.04Å
511	P	81.9	Confident	84.7	Confident	12 Å²	12	55.2 Å²	55.2	8%	0.078	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	123.7	169.1	29.7	-33.7	0	0	0	109.7	I502 L548 M629	I502-P511 HydrophobicContact CG1-CB 4.45Å; P511-L548 HydrophobicContact CB-CD1 3.67Å; P511-L548 HydrophobicContact CG-CD1 3.88Å; P511-M629 HydrophobicContact CB-CB 4.24Å; P511-M629 HydrophobicContact CB-CG 4.35Å; P511-M629 HydrophobicContact CB-SD 3.7Å; P511-M629 HydrophobicContact CG-CB 3.63Å; P511-M629 HydrophobicContact CG-CG 3.87Å; P511-M629 HydrophobicContact CG-SD 3.89Å
512	V	83.1	Confident	84.7	Confident	22 Å²	22	58.9 Å²	58.9	13%	0.133	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	-32.7	-173.5	-70.3	0	0	0	0	113.6	I501 R503 E510 Y539	I501-V512 HydrophobicContact CB-CG2 4.22Å; I501-V512 HydrophobicContact CG2-CG2 3.81Å; I501-V512 VanDerWaalsContact O-CG2 3.24Å; I501-V512 WeakPolarHBondContact O-CG2 3.48Å; I501-V512 PolarHBondContact O-N 2.99Å; R503-V512 HydrophobicContact CB-CG1 3.74Å; R503-V512 HydrophobicContact CB-CG2 4.41Å; E510-V512 HydrophobicContact CG-CG1 4.5Å; E510-V512 PolarHBondContact O-N 3.06Å; V512-Y539 HydrophobicContact CG2-CD1 4.03Å; V512-Y539 HydrophobicContact CG2-CE1 3.86Å
513	C	87	Confident	85	Confident	19 Å²	19	58.7 Å²	58.7	13%	0.128	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	167.1	-175.8	-48.1	0	0	0	0	112.4	I501 C529	I501-C513 HydrophobicContact CB-CB 4.17Å; I501-C513 HydrophobicContact CD1-CB 4.13Å; I501-C513 PolarHBondContact N-O 2.81Å; I501-C513 PolarHBondContact O-N 3.31Å; C513-C529 HydrophobicContact CB-CB 3.86Å; C513-C529 WeakPolarHBondContact CB-SG 3.27Å; C513-C529 WeakPolarHBondContact SG-CA 3.46Å; C513-C529 WeakPolarHBondContact SG-CB 3.47Å; C513-C529 CovalentContact SG-SG 2.02Å; C513-C529 PolarHBondContact SG-SG 2.96Å
514	Y	87.5	Confident	85.1	Confident	12 Å²	12	55.6 Å²	55.6	5%	0.047	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	146.9	166.7	-174.6	-96.8	0	0	0	110.9	S498 T516 T525 L615 W617 L632 F651	S498-Y514 VanDerWaalsContact OG-CE2 3.28Å; S498-Y514 WeakPolarHBondContact OG-CE2 3.46Å; Y514-T516 WeakPolarHBondContact CE1-OG1 3.06Å; Y514-T525 PolarHBondContact O-OG1 3.07Å; Y514-L615 HydrophobicContact CE1-CB 4.31Å; Y514-L615 HydrophobicContact CE2-CB 3.85Å; Y514-L615 VanDerWaalsContact OH-CD1 3.3Å; Y514-L615 WeakPolarHBondContact OH-CD1 3.23Å; Y514-W617 AromaticContact CD2-CD1 3.78Å; Y514-W617 AromaticContact CD2-NE1 3.7Å; Y514-L632 HydrophobicContact CE2-CD1 4.06Å; Y514-F651 AromaticContact CE1-CD1 3.86Å; Y514-F651 HydrophobicContact CE1-CD1 3.86Å
515	A	91.1	Very high	85.2	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	165.6	167.9	0	0	0	0	0	109.5	A499 I501 L523 L524	A499-A515 WeakPolarHBondContact CA-O 2.96Å; A499-A515 HydrophobicContact CB-CB 4.1Å; A499-A515 VanDerWaalsContact CB-O 3.25Å; A499-A515 WeakPolarHBondContact CB-O 3.43Å; A499-A515 PolarHBondContact N-O 2.83Å; A499-A515 PolarHBondContact O-N 3.18Å; I501-A515 HydrophobicContact CD1-CB 3.82Å; I501-A515 HydrophobicContact CG1-CB 3.83Å; A515-L523 HydrophobicContact CB-CB 4.39Å; A515-L523 HydrophobicContact CB-CD2 4.01Å; A515-L524 CarbonylContact C-O 3.46Å; A515-L524 WeakPolarHBondContact CA-O 3.39Å
516	T	90.7	Very high	85.3	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	128.9	-178.8	-57.9	0	0	0	0	112.2	W497 Y514 I518 L523 L524 V597 F651	W497-T516 HydrophobicContact CB-CG2 3.79Å; W497-T516 HydrophobicContact CG-CG2 4.02Å; W497-T516 WeakPolarHBondContact O-CA 3.42Å; Y514-T516 WeakPolarHBondContact CE1-OG1 3.06Å; T516-I518 PolarHBondContact O-N 3.05Å; T516-L523 CarbonylContact O-C 3.51Å; T516-L523 WeakPolarHBondContact O-CA 3.46Å; T516-L523 WeakPolarHBondContact O-CB 3.26Å; T516-L524 PolarHBondContact N-O 2.65Å; T516-L524 PolarHBondContact O-N 3.34Å; T516-V597 HydrophobicContact CG2-CB 4.32Å; T516-V597 HydrophobicContact CG2-CG1 3.54Å; T516-F651 HydrophobicContact CG2-CD1 4.25Å; T516-F651 HydrophobicContact CG2-CE1 3.27Å; T516-F651 HydrophobicContact CG2-CE2 4.21Å; T516-F651 HydrophobicContact CG2-CZ 3.22Å; T516-F651 WeakPolarHBondContact OG1-CD1 3Å; T516-F651 WeakPolarHBondContact OG1-CE1 3.4Å; T516-F651 VanDerWaalsContact OG1-CZ 3.24Å; T516-F651 WeakPolarHBondContact OG1-CZ 3.37Å
517	L	91.2	Very high	85.8	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	120.3	173.4	-164.6	67.3	0	0	0	110.3	W497 S519 L523 L543 L584 I594 P596 V597	W497-L517 HydrophobicContact CB-CB 4.33Å; W497-L517 PolarHBondContact O-N 2.84Å; L517-S519 WeakPolarHBondContact CD1-O 3.31Å; L517-S519 WeakPolarHBondContact CG-O 3.02Å; L517-L523 HydrophobicContact CD1-CD1 4.24Å; L517-L523 HydrophobicContact CD1-CD2 4.41Å; L517-L523 HydrophobicContact CD1-CG 3.96Å; L517-L543 HydrophobicContact CB-CD2 4.18Å; L517-L543 HydrophobicContact CD1-CD1 3.98Å; L517-L543 HydrophobicContact CD1-CD2 4.45Å; L517-L543 HydrophobicContact CD2-CD1 4.25Å; L517-L543 HydrophobicContact CD2-CD2 4.35Å; L517-L584 HydrophobicContact CD1-CD1 4.45Å; L517-I594 HydrophobicContact CD2-CG2 3.8Å; L517-P596 HydrophobicContact CB-CB 4.41Å; L517-P596 HydrophobicContact CD2-CB 4.35Å; L517-P596 HydrophobicContact CG-CB 4.02Å; L517-P596 CarbonylContact O-C 3.44Å; L517-P596 WeakPolarHBondContact O-CA 3.32Å; L517-P596 WeakPolarHBondContact O-CB 3Å; L517-V597 PolarHBondContact O-N 2.78Å
518	I	87.7	Confident	86.4	Confident	25 Å²	25	32 Å²	32	13%	0.128	17%	0.167	C	C	.	.			trans	-114.5	-11.2	178.6	58.5	165.9	0	0	0	112.3	T516 W522 L524 L581 P596 V597 L599	T516-I518 PolarHBondContact O-N 3.05Å; I518-W522 HydrophobicContact CD1-CB 4.06Å; I518-W522 HydrophobicContact CG1-CB 3.83Å; I518-W522 WeakPolarHBondContact CG1-O 3.49Å; I518-W522 PolarHBondContact N-O 2.89Å; I518-L524 HydrophobicContact CD1-CB 4.48Å; I518-L524 HydrophobicContact CG2-CB 4.14Å; I518-L581 HydrophobicContact CD1-CD2 3.68Å; I518-P596 VanDerWaalsContact C-CB 3.48Å; I518-V597 HydrophobicContact CG2-CG1 4.2Å; I518-L599 HydrophobicContact CB-CD2 4.16Å; I518-L599 HydrophobicContact CB-CG 4.34Å; I518-L599 HydrophobicContact CD1-CD1 4.35Å; I518-L599 HydrophobicContact CD1-CD2 4.4Å; I518-L599 HydrophobicContact CG2-CD2 3.79Å; I518-L599 HydrophobicContact CG2-CG 4.46Å
519	S	81.8	Confident	86.8	Confident	38 Å²	38	30.2 Å²	30.2	27%	0.266	15%	0.148	S	C	.	.	S	Bend	trans	-159.1	-174.7	169.5	75.2	0	0	0	0	111.2	L517 R521 W522	L517-S519 WeakPolarHBondContact CD1-O 3.31Å; L517-S519 WeakPolarHBondContact CG-O 3.02Å; S519-R521 PolarHBondContact O-N 3.32Å; S519-R521 PolarHBondContact OG-N 3.17Å; S519-W522 PolarHBondContact N-O 3.07Å; S519-W522 VanDerWaalsContact OG-CB 3.27Å; S519-W522 WeakPolarHBondContact OG-CB 3.27Å; S519-W522 VanDerWaalsContact OG-CD1 3.31Å; S519-W522 PolarHBondContact OG-N 3.37Å
520	R	84.1	Confident	86.9	Confident	104 Å²	104	26.2 Å²	26.2	39%	0.392	13%	0.126	S	C	.	.	S	Bend	trans	-56.5	-21.4	176.1	-68.2	-177.9	-175	-75.1	-0.1	114.9	A588 F590	R520-A588 PolarHBondContact O-N 3.34Å; R520-F590 HydrophobicContact CB-CE1 4.2Å; R520-F590 HydrophobicContact CB-CZ 4.15Å; R520-F590 HydrophobicContact CG-CD1 4.42Å; R520-F590 HydrophobicContact CG-CE1 3.53Å; R520-F590 HydrophobicContact CG-CE2 3.83Å; R520-F590 HydrophobicContact CG-CZ 3.17Å
521	R	85.3	Confident	86.7	Confident	92 Å²	92	26.3 Å²	26.3	35%	0.347	13%	0.126	S	C	.	.	S	Bend	trans	-135.3	-15.5	-178.1	-77	-165.2	-71.3	-163.5	-0	114.5	S519 K583 L584 H587	S519-R521 PolarHBondContact O-N 3.32Å; S519-R521 PolarHBondContact OG-N 3.17Å; R521-K583 HydrophobicContact CB-CG 4.48Å; R521-K583 CarbonylContact O-C 3.54Å; R521-K583 VanDerWaalsContact O-CA 3.31Å; R521-K583 WeakPolarHBondContact O-CA 3.34Å; R521-L584 PolarHBondContact O-N 3.05Å; R521-H587 WeakPolarHBondContact CD-CD2 3.14Å; R521-H587 WeakPolarHBondContact CG-CD2 3.34Å; R521-H587 PolarHBondContact NE-NE2 2.78Å
522	W	90	Very high	86.3	Confident	77 Å²	77	30.8 Å²	30.8	29%	0.292	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	135.6	-172.7	-66.5	100.5	0	0	0	110.8	I518 S519 I561 L581 L582 K583	I518-W522 HydrophobicContact CD1-CB 4.06Å; I518-W522 HydrophobicContact CG1-CB 3.83Å; I518-W522 WeakPolarHBondContact CG1-O 3.49Å; I518-W522 PolarHBondContact N-O 2.89Å; S519-W522 PolarHBondContact N-O 3.07Å; S519-W522 VanDerWaalsContact OG-CB 3.27Å; S519-W522 WeakPolarHBondContact OG-CB 3.27Å; S519-W522 VanDerWaalsContact OG-CD1 3.31Å; S519-W522 PolarHBondContact OG-N 3.37Å; W522-I561 HydrophobicContact CH2-CD1 3.67Å; W522-I561 HydrophobicContact CZ3-CD1 3.79Å; W522-L581 HydrophobicContact CE3-CB 4.01Å; W522-L581 HydrophobicContact CZ3-CB 3.99Å; W522-L582 CarbonylContact C-O 3.52Å; W522-L582 WeakPolarHBondContact CA-O 3.37Å; W522-K583 HydrophobicContact CD2-CB 4.31Å; W522-K583 HydrophobicContact CD2-CG 4.34Å; W522-K583 HydrophobicContact CE3-CB 3.9Å; W522-K583 HydrophobicContact CE3-CG 4.42Å; W522-K583 HydrophobicContact CH2-CB 3.85Å; W522-K583 HydrophobicContact CH2-CD 3.98Å; W522-K583 HydrophobicContact CH2-CG 4.12Å; W522-K583 HydrophobicContact CZ2-CB 4.25Å; W522-K583 HydrophobicContact CZ2-CD 3.84Å; W522-K583 HydrophobicContact CZ2-CG 4.02Å; W522-K583 HydrophobicContact CZ3-CB 3.67Å; W522-K583 HydrophobicContact CZ3-CG 4.32Å
523	L	94.7	Very high	86.2	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	150.5	168.6	-60.9	95.2	0	0	0	110.8	A499 A515 T516 L517 V541 L543 L581 L582 L584	A499-L523 HydrophobicContact CB-CD2 3.42Å; A499-L523 VanDerWaalsContact CB-CD2 3.42Å; A515-L523 HydrophobicContact CB-CB 4.39Å; A515-L523 HydrophobicContact CB-CD2 4.01Å; T516-L523 CarbonylContact O-C 3.51Å; T516-L523 WeakPolarHBondContact O-CA 3.46Å; T516-L523 WeakPolarHBondContact O-CB 3.26Å; L517-L523 HydrophobicContact CD1-CD1 4.24Å; L517-L523 HydrophobicContact CD1-CD2 4.41Å; L517-L523 HydrophobicContact CD1-CG 3.96Å; L523-V541 HydrophobicContact CD1-CG1 4.33Å; L523-V541 HydrophobicContact CD2-CG1 3.58Å; L523-L543 HydrophobicContact CD2-CD2 4.35Å; L523-L581 CarbonylContact O-C 3.47Å; L523-L581 WeakPolarHBondContact O-CA 3.26Å; L523-L582 HydrophobicContact CB-CB 4.3Å; L523-L582 PolarHBondContact N-O 2.84Å; L523-L582 PolarHBondContact O-N 3.39Å; L523-L584 HydrophobicContact CD1-CD1 3.98Å; L523-L584 HydrophobicContact CD1-CD2 3.39Å; L523-L584 HydrophobicContact CD1-CG 3.54Å
524	L	92.3	Very high	85.9	Confident	21 Å²	21	36.6 Å²	36.6	11%	0.11	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	138	168.5	-159.2	65.9	0	0	0	109.6	A515 T516 I518 L579 L581 F651	A515-L524 CarbonylContact C-O 3.46Å; A515-L524 WeakPolarHBondContact CA-O 3.39Å; T516-L524 PolarHBondContact N-O 2.65Å; T516-L524 PolarHBondContact O-N 3.34Å; I518-L524 HydrophobicContact CD1-CB 4.48Å; I518-L524 HydrophobicContact CG2-CB 4.14Å; L524-L579 HydrophobicContact CD1-CD1 3.6Å; L524-L579 HydrophobicContact CD1-CD2 4.4Å; L524-L579 HydrophobicContact CD1-CG 3.97Å; L524-L579 HydrophobicContact CD2-CD1 3.88Å; L524-L579 HydrophobicContact CG-CD1 3.75Å; L524-L581 HydrophobicContact CD1-CD2 3.52Å; L524-L581 HydrophobicContact CD1-CG 4.16Å; L524-F651 HydrophobicContact CB-CD2 4.06Å; L524-F651 HydrophobicContact CB-CE2 3.7Å; L524-F651 HydrophobicContact CD2-CD2 3.72Å; L524-F651 HydrophobicContact CD2-CE2 3.45Å; L524-F651 VanDerWaalsContact CD2-CE2 3.45Å; L524-F651 HydrophobicContact CG-CD2 4.08Å; L524-F651 HydrophobicContact CG-CE2 3.99Å
525	T	90.9	Very high	86	Confident	8 Å²	8	39.7 Å²	39.7	5%	0.049	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	-178	175.9	-169.7	0	0	0	0	109.4	I501 Y514 M580 L582	I501-T525 HydrophobicContact CD1-CG2 3.9Å; I501-T525 WeakPolarHBondContact CD1-OG1 3.45Å; Y514-T525 PolarHBondContact O-OG1 3.07Å; T525-M580 HydrophobicContact CG2-CB 4.09Å; T525-M580 HydrophobicContact CG2-CE 3.44Å; T525-M580 VanDerWaalsContact CG2-CE 3.44Å; T525-M580 HydrophobicContact CG2-CG 4.44Å; T525-M580 PolarHBondContact N-O 3.46Å; T525-M580 PolarHBondContact O-N 2.94Å; T525-M580 VanDerWaalsContact O-O 3.13Å; T525-L582 HydrophobicContact CG2-CD1 3.91Å; T525-L582 HydrophobicContact CG2-CG 3.98Å
526	S	85.8	Confident	85.9	Confident	21 Å²	21	42.5 Å²	42.5	15%	0.147	22%	0.219	C	C	.	.			trans	-84.2	146.3	174.6	75.5	0	0	0	0	111.4	S528 C529 D578	S526-S528 VanDerWaalsContact C-N 3.29Å; S526-S528 WeakPolarHBondContact CB-OG 3.35Å; S526-S528 PolarHBondContact OG-OG 2.94Å; S526-C529 WeakPolarHBondContact O-CB 3.21Å; S526-C529 PolarHBondContact O-N 3.04Å; S526-C529 PolarHBondContact OG-N 2.83Å; S526-D578 WeakPolarHBondContact CA-O 3.45Å; S526-D578 WeakPolarHBondContact CB-OD1 3Å
527	A	86.3	Confident	86	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-67.9	-30.6	173.2	0	0	0	0	0	112.5	C529 K562 F566 D578 M580	A527-C529 PolarHBondContact O-N 2.85Å; A527-K562 HydrophobicContact CB-CD 4.15Å; A527-K562 HydrophobicContact CB-CG 3.75Å; A527-F566 HydrophobicContact CB-CB 4.29Å; A527-F566 HydrophobicContact CB-CD1 4.23Å; A527-F566 HydrophobicContact CB-CD2 3.36Å; A527-F566 HydrophobicContact CB-CE1 4.4Å; A527-F566 HydrophobicContact CB-CE2 3.54Å; A527-F566 HydrophobicContact CB-CG 3.69Å; A527-F566 HydrophobicContact CB-CZ 4.06Å; A527-D578 WeakPolarHBondContact CA-OD1 3.08Å; A527-D578 WeakPolarHBondContact CB-OD1 3.01Å; A527-D578 PolarHBondContact N-OD1 2.79Å; A527-M580 HydrophobicContact CB-CB 4.24Å
528	S	84.3	Confident	86	Confident	18 Å²	18	47.2 Å²	47.2	13%	0.126	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-59.8	-24.2	171.8	57.2	0	0	0	0	113	S526 M530 E531 D578	S526-S528 VanDerWaalsContact C-N 3.29Å; S526-S528 WeakPolarHBondContact CB-OG 3.35Å; S526-S528 PolarHBondContact OG-OG 2.94Å; S528-M530 VanDerWaalsContact C-N 3.33Å; S528-M530 PolarHBondContact O-N 2.89Å; S528-E531 WeakPolarHBondContact O-CB 3.41Å; S528-E531 PolarHBondContact O-N 2.88Å; S528-D578 VanDerWaalsContact CB-OD2 3.27Å; S528-D578 WeakPolarHBondContact CB-OD2 3.4Å; S528-D578 PolarHBondContact N-OD1 2.83Å; S528-D578 PolarHBondContact OG-OD1 2.81Å; S528-D578 PolarHBondContact OG-OD2 2.85Å
529	C	84.1	Confident	86.3	Confident	11 Å²	11	46 Å²	46	7%	0.074	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-59.7	-40.8	-179	177.9	0	0	0	0	113.4	I501 C513 S526 A527	I501-C529 VanDerWaalsContact CD1-SG 3.58Å; C513-C529 HydrophobicContact CB-CB 3.86Å; C513-C529 WeakPolarHBondContact CB-SG 3.27Å; C513-C529 WeakPolarHBondContact SG-CA 3.46Å; C513-C529 WeakPolarHBondContact SG-CB 3.47Å; C513-C529 CovalentContact SG-SG 2.02Å; C513-C529 PolarHBondContact SG-SG 2.96Å; S526-C529 WeakPolarHBondContact O-CB 3.21Å; S526-C529 PolarHBondContact O-N 3.04Å; S526-C529 PolarHBondContact OG-N 2.83Å; A527-C529 PolarHBondContact O-N 2.85Å
530	M	83.7	Confident	86.9	Confident	4 Å²	4	44.7 Å²	44.7	2%	0.02	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-108.2	36	-178.5	-68.5	-175.8	-176.1	0	0	112.1	I501 S528 N533 Y539 I557 M580 L582	I501-M530 HydrophobicContact CD1-CE 4.47Å; I501-M530 HydrophobicContact CG2-CE 4.02Å; S528-M530 VanDerWaalsContact C-N 3.33Å; S528-M530 PolarHBondContact O-N 2.89Å; M530-N533 CarbonylContact O-C 3.58Å; M530-Y539 HydrophobicContact CB-CE2 4.44Å; M530-Y539 HydrophobicContact CE-CD1 4.49Å; M530-Y539 HydrophobicContact CE-CD2 3.9Å; M530-Y539 HydrophobicContact CE-CG 3.86Å; M530-Y539 HydrophobicContact CG-CD2 4.18Å; M530-Y539 HydrophobicContact CG-CE2 3.88Å; M530-Y539 HydrophobicContact SD-CD2 4.07Å; M530-Y539 HydrophobicContact SD-CE2 4.27Å; M530-I557 HydrophobicContact CE-CD1 3.68Å; M530-M580 HydrophobicContact CB-CE 3.99Å; M530-M580 HydrophobicContact CB-SD 4.42Å; M530-M580 HydrophobicContact CE-CE 4.27Å; M530-M580 HydrophobicContact CG-CE 3.74Å; M530-M580 HydrophobicContact SD-CE 3.64Å; M530-M580 HydrophobicContact SD-SD 4.25Å; M530-L582 HydrophobicContact CE-CD1 3.82Å; M530-L582 HydrophobicContact CE-CD2 3.74Å; M530-L582 HydrophobicContact CE-CG 4.44Å; M530-L582 HydrophobicContact SD-CD2 4.03Å
531	E	76.6	Confident	87.4	Confident	68 Å²	68	39.8 Å²	39.8	32%	0.318	21%	0.213	S	C	.	.	S	Bend	trans	-84.1	-34.8	179.3	-167.5	176.9	162.3	0	0	112.7	S528 N533 R568	S528-E531 WeakPolarHBondContact O-CB 3.41Å; S528-E531 PolarHBondContact O-N 2.88Å; E531-N533 VanDerWaalsContact C-N 3.32Å; E531-R568 VanDerWaalsContact CD-CZ 3.47Å; E531-R568 IonicContact OE1-CZ 3.9Å; E531-R568 VanDerWaalsContact OE1-CZ 3.23Å; E531-R568 IonicContact OE1-NE 3.62Å; E531-R568 PolarHBondContact OE1-NE 2.04Å; E531-R568 IonicContact OE1-NH2 3.81Å; E531-R568 PolarHBondContact OE1-NH2 2.79Å; E531-R568 IonicContact OE2-CZ 2.8Å; E531-R568 IonicContact OE2-NE 3.74Å; E531-R568 PolarHBondContact OE2-NE 2.75Å; E531-R568 VanDerWaalsContact OE2-NE 3.11Å; E531-R568 IonicContact OE2-NH1 2.71Å; E531-R568 IonicContact OE2-NH2 2.85Å; E531-R568 PolarHBondContact OE2-NH2 2.9Å
532	T	73.5	Confident	87.7	Confident	107 Å²	107	37.3 Å²	37.3	66%	0.656	20%	0.203	S	C	*	.	S	Bend	trans	-71	-29.1	177.5	55.9	0	0	0	0	112.7
533	N	81.7	Confident	87.9	Confident	61 Å²	61	33.7 Å²	33.7	33%	0.326	19%	0.19	S	C	.	.			trans	-144.8	108.5	172	-173	-7.6	0	0	0	108.4	M530 E531 N535 A538 Y539	M530-N533 CarbonylContact O-C 3.58Å; E531-N533 VanDerWaalsContact C-N 3.32Å; N533-N535 PolarHBondContact O-N 2.93Å; N533-N535 VanDerWaalsContact OD1-CB 3.27Å; N533-N535 WeakPolarHBondContact OD1-CB 3.31Å; N533-N535 PolarHBondContact OD1-N 2.78Å; N533-A538 WeakPolarHBondContact ND2-CB 3.48Å; N533-Y539 HydrophobicContact CB-CE2 4.15Å; N533-Y539 WeakPolarHBondContact CB-OH 3.31Å; N533-Y539 VanDerWaalsContact O-CE2 3.24Å; N533-Y539 WeakPolarHBondContact O-CE2 3.5Å; N533-Y539 PolarHBondContact O-OH 2.88Å
534	S	80.7	Confident	87.6	Confident	101 Å²	101	34 Å²	34	71%	0.706	19%	0.193	S	C	*	.			trans	-76.9	-9.9	179.6	54.3	0	0	0	0	113.2	Y536	S534-Y536 PolarHBondContact O-N 3.07Å; S534-Y536 VanDerWaalsContact O-N 3.12Å
535	N	88.7	Confident	87.4	Confident	77 Å²	77	33.5 Å²	33.5	41%	0.412	19%	0.192	S	C	.	.			trans	-74.9	101.3	174.3	-176.8	8.4	0	0	0	109.7	N533 N537 A538	N533-N535 PolarHBondContact O-N 2.93Å; N533-N535 VanDerWaalsContact OD1-CB 3.27Å; N533-N535 WeakPolarHBondContact OD1-CB 3.31Å; N533-N535 PolarHBondContact OD1-N 2.78Å; N535-N537 PolarHBondContact O-N 2.88Å; N535-N537 VanDerWaalsContact O-N 3.12Å; N535-N537 VanDerWaalsContact OD1-CB 3.3Å; N535-N537 WeakPolarHBondContact OD1-CB 3.47Å; N535-N537 PolarHBondContact OD1-N 3.08Å; N535-N537 VanDerWaalsContact OD1-N 3.13Å; N535-N537 PolarHBondContact OD1-ND2 2.79Å; N535-N537 VanDerWaalsContact OD1-ND2 3.07Å; N535-A538 VanDerWaalsContact O-CB 3.29Å; N535-A538 WeakPolarHBondContact O-CB 3.49Å; N535-A538 PolarHBondContact O-N 2.89Å
536	Y	90.4	Very high	86.8	Confident	59 Å²	59	34 Å²	34	23%	0.231	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-59.4	-23.5	178.8	60.8	-97.6	0	0	0	113.3	S534 A538 Y539 I557 D558 Y559 A560	S534-Y536 PolarHBondContact O-N 3.07Å; S534-Y536 VanDerWaalsContact O-N 3.12Å; Y536-A538 PolarHBondContact O-N 3.43Å; Y536-Y539 PolarHBondContact O-N 3.14Å; Y536-I557 HydrophobicContact CD2-CB 4.16Å; Y536-I557 HydrophobicContact CD2-CG2 3.85Å; Y536-I557 HydrophobicContact CG-CG2 4.22Å; Y536-D558 WeakPolarHBondContact CE2-O 3.37Å; Y536-D558 PolarHBondContact OH-O 3.2Å; Y536-Y559 HydrophobicContact CE1-CD2 4.22Å; Y536-A560 HydrophobicContact CD1-CB 4.3Å; Y536-A560 HydrophobicContact CG-CB 4.37Å
537	N	91.6	Very high	86.4	Confident	80 Å²	80	37.4 Å²	37.4	43%	0.428	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-65.8	-17.7	176.1	-62.7	-55.9	0	0	0	113.4	K504 N535 Y539	K504-N537 PolarHBondContact NZ-O 3.19Å; K504-N537 VanDerWaalsContact NZ-O 3.17Å; N535-N537 PolarHBondContact O-N 2.88Å; N535-N537 VanDerWaalsContact O-N 3.12Å; N535-N537 VanDerWaalsContact OD1-CB 3.3Å; N535-N537 WeakPolarHBondContact OD1-CB 3.47Å; N535-N537 PolarHBondContact OD1-N 3.08Å; N535-N537 VanDerWaalsContact OD1-N 3.13Å; N535-N537 PolarHBondContact OD1-ND2 2.79Å; N535-N537 VanDerWaalsContact OD1-ND2 3.07Å; N537-Y539 PolarHBondContact O-N 3.35Å
538	A	92	Very high	85.7	Confident	19 Å²	19	37.7 Å²	37.7	16%	0.157	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-75.2	-1.1	173.4	0	0	0	0	0	112.8	K504 N533 N535 Y536	K504-A538 PolarHBondContact N-O 3.23Å; N533-A538 WeakPolarHBondContact ND2-CB 3.48Å; N535-A538 VanDerWaalsContact O-CB 3.29Å; N535-A538 WeakPolarHBondContact O-CB 3.49Å; N535-A538 PolarHBondContact O-N 2.89Å; Y536-A538 PolarHBondContact O-N 3.43Å
539	Y	93.8	Very high	85.1	Confident	1 Å²	1	42.2 Å²	42.2	0%	0.004	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	152.1	-176.5	-56.2	-90.7	0	0	0	112	I501 I502 R503 V512 M530 N533 Y536 N537	I501-Y539 HydrophobicContact CG2-CD1 3.74Å; I501-Y539 HydrophobicContact CG2-CG 4.18Å; I502-Y539 CarbonylContact O-C 3.58Å; I502-Y539 WeakPolarHBondContact O-CA 3.43Å; R503-Y539 HydrophobicContact CB-CD1 3.87Å; R503-Y539 HydrophobicContact CB-CE1 3.8Å; R503-Y539 HydrophobicContact CG-CD1 4.3Å; R503-Y539 HydrophobicContact CG-CE1 3.98Å; V512-Y539 HydrophobicContact CG2-CD1 4.03Å; V512-Y539 HydrophobicContact CG2-CE1 3.86Å; M530-Y539 HydrophobicContact CB-CE2 4.44Å; M530-Y539 HydrophobicContact CE-CD1 4.49Å; M530-Y539 HydrophobicContact CE-CD2 3.9Å; M530-Y539 HydrophobicContact CE-CG 3.86Å; M530-Y539 HydrophobicContact CG-CD2 4.18Å; M530-Y539 HydrophobicContact CG-CE2 3.88Å; M530-Y539 HydrophobicContact SD-CD2 4.07Å; M530-Y539 HydrophobicContact SD-CE2 4.27Å; N533-Y539 HydrophobicContact CB-CE2 4.15Å; N533-Y539 WeakPolarHBondContact CB-OH 3.31Å; N533-Y539 VanDerWaalsContact O-CE2 3.24Å; N533-Y539 WeakPolarHBondContact O-CE2 3.5Å; N533-Y539 PolarHBondContact O-OH 2.88Å; Y536-Y539 PolarHBondContact O-N 3.14Å; N537-Y539 PolarHBondContact O-N 3.35Å
540	V	94	Very high	84.4	Confident	10 Å²	10	45.5 Å²	45.5	6%	0.061	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	155	166.8	-80.5	0	0	0	0	109.3	I502 K504 L554 F555	I502-V540 HydrophobicContact CB-CG2 4.03Å; I502-V540 HydrophobicContact CG2-CG2 4.27Å; I502-V540 PolarHBondContact N-O 2.67Å; I502-V540 PolarHBondContact O-N 2.63Å; K504-V540 HydrophobicContact CG-CG2 4.49Å; V540-L554 HydrophobicContact CG2-CD2 4.14Å; V540-F555 WeakPolarHBondContact CA-O 3.05Å
541	V	94.7	Very high	84.1	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	129	176.8	177.9	0	0	0	0	108.8	A499 A500 L523 L543 L554 F555 I557 L582 L584	A499-V541 HydrophobicContact CB-CG1 3.82Å; A500-V541 CarbonylContact O-C 3.59Å; A500-V541 WeakPolarHBondContact O-CA 3.4Å; L523-V541 HydrophobicContact CD1-CG1 4.33Å; L523-V541 HydrophobicContact CD2-CG1 3.58Å; V541-L543 HydrophobicContact CG1-CG 4.18Å; V541-L554 CarbonylContact O-C 3.58Å; V541-L554 WeakPolarHBondContact O-CA 3.03Å; V541-F555 PolarHBondContact N-O 3.46Å; V541-F555 PolarHBondContact O-N 3.4Å; V541-I557 HydrophobicContact CG2-CD1 4.02Å; V541-I557 HydrophobicContact CG2-CG1 3.99Å; V541-L582 HydrophobicContact CG2-CD1 4.42Å; V541-L584 HydrophobicContact CB-CD2 4.02Å; V541-L584 HydrophobicContact CG1-CD2 4.41Å; V541-L584 HydrophobicContact CG2-CD2 4.09Å
542	R	93	Very high	84.5	Confident	41 Å²	41	45.6 Å²	45.6	16%	0.155	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	127.1	170.5	-174.1	174.5	-71.2	-152.4	16.1	110.5	A499 A500 I502 L548 S551 D553 L554	A499-R542 VanDerWaalsContact CA-O 3.32Å; A499-R542 WeakPolarHBondContact CA-O 3.4Å; A500-R542 HydrophobicContact CB-CB 4.42Å; A500-R542 PolarHBondContact N-O 3.5Å; A500-R542 PolarHBondContact O-N 3.25Å; I502-R542 HydrophobicContact CD1-CB 3.7Å; R542-L548 PolarHBondContact NH1-O 2.75Å; R542-L548 PolarHBondContact NH2-O 3.26Å; R542-S551 WeakPolarHBondContact CD-O 3.14Å; R542-S551 PolarHBondContact NH1-O 3.11Å; R542-S551 VanDerWaalsContact NH1-O 3.12Å; R542-D553 WeakPolarHBondContact CA-O 3.44Å; R542-L554 HydrophobicContact CB-CD2 3.92Å; R542-L554 HydrophobicContact CG-CD2 4.29Å
543	L	92.8	Very high	85.3	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	154.1	176.3	-70.9	168.7	0	0	0	110.9	A499 L517 L523 V541 S545 G552 D553 F555 L584 A588 I594	A499-L543 HydrophobicContact CB-CD2 3.46Å; A499-L543 VanDerWaalsContact CB-CD2 3.46Å; A499-L543 HydrophobicContact CB-CG 4.37Å; L517-L543 HydrophobicContact CB-CD2 4.18Å; L517-L543 HydrophobicContact CD1-CD1 3.98Å; L517-L543 HydrophobicContact CD1-CD2 4.45Å; L517-L543 HydrophobicContact CD2-CD1 4.25Å; L517-L543 HydrophobicContact CD2-CD2 4.35Å; L523-L543 HydrophobicContact CD2-CD2 4.35Å; V541-L543 HydrophobicContact CG1-CG 4.18Å; L543-S545 VanDerWaalsContact C-N 3.3Å; L543-S545 PolarHBondContact O-N 2.97Å; L543-G552 CarbonylContact O-C 3.53Å; L543-G552 WeakPolarHBondContact O-CA 3.34Å; L543-D553 PolarHBondContact N-O 3.41Å; L543-D553 PolarHBondContact O-N 2.58Å; L543-F555 HydrophobicContact CB-CD2 4.38Å; L543-F555 HydrophobicContact CB-CE2 4.02Å; L543-F555 HydrophobicContact CD1-CD2 3.86Å; L543-F555 HydrophobicContact CD1-CE2 3.74Å; L543-F555 HydrophobicContact CD1-CZ 4.4Å; L543-F555 HydrophobicContact CG-CD2 4.31Å; L543-F555 HydrophobicContact CG-CE2 4.29Å; L543-L584 HydrophobicContact CD1-CD1 4.06Å; L543-A588 HydrophobicContact CD1-CB 4.05Å; L543-I594 HydrophobicContact CB-CD1 3.9Å; L543-I594 HydrophobicContact CB-CG1 4.02Å; L543-I594 HydrophobicContact CB-CG2 4.19Å; L543-I594 HydrophobicContact CD1-CG2 4.18Å
544	G	89.1	Confident	85.8	Confident	8 Å²	8	45.7 Å²	45.7	8%	0.082	27%	0.266	C	S	.	.	S	Bend	trans	79.3	10.2	171.2	0	0	0	0	0	115.7	H493 T593 I594	H493-G544 PolarHBondContact ND1-O 3.03Å; G544-T593 WeakPolarHBondContact CA-O 3.25Å; G544-I594 VanDerWaalsContact CA-CG1 3.5Å
545	S	87.3	Confident	86.5	Confident	10 Å²	10	41 Å²	41	7%	0.07	23%	0.233	C	C	.	.			trans	-97.6	147.4	179.3	-166.5	0	0	0	0	111.5	L543 Q547 S551 W617	L543-S545 VanDerWaalsContact C-N 3.3Å; L543-S545 PolarHBondContact O-N 2.97Å; S545-Q547 PolarHBondContact OG-N 3.35Å; S545-Q547 PolarHBondContact OG-O 3.12Å; S545-S551 WeakPolarHBondContact CB-O 3.46Å; S545-S551 PolarHBondContact OG-O 3.19Å; S545-S551 PolarHBondContact OG-OG 2.85Å; S545-W617 WeakPolarHBondContact O-CH2 3.2Å
546	S	79.4	Confident	86.8	Confident	17 Å²	17	41.7 Å²	41.7	12%	0.119	23%	0.234	C	C	.	.	S	Bend	trans	-108.3	-12	161.8	53.8	0	0	0	0	111.9
547	Q	77.1	Confident	87.1	Confident	93 Å²	93	39.1 Å²	39.1	44%	0.435	22%	0.224	S	C	.	.	B	Isolated β-bridge	trans	-143.1	113.8	-176.3	-74.6	176.2	62.6	0	0	109.7	S545 N549 S550 E630 K631	S545-Q547 PolarHBondContact OG-N 3.35Å; S545-Q547 PolarHBondContact OG-O 3.12Å; Q547-N549 PolarHBondContact O-N 2.79Å; Q547-S550 VanDerWaalsContact CB-OG 3.31Å; Q547-S550 WeakPolarHBondContact CB-OG 3.35Å; Q547-S550 PolarHBondContact O-N 2.82Å; Q547-S550 VanDerWaalsContact O-N 3.15Å; Q547-S550 PolarHBondContact O-OG 3.26Å; Q547-E630 CarbonylContact C-O 3.58Å; Q547-E630 VanDerWaalsContact CA-O 3.22Å; Q547-E630 WeakPolarHBondContact CA-O 3.46Å; Q547-K631 HydrophobicContact CG-CG 4.42Å
548	L	72.2	Confident	87.1	Confident	7 Å²	7	38.7 Å²	38.7	4%	0.037	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-13.4	-168.5	-68.3	172	0	0	0	114.6	A500 P511 R542 W617 M629 E630	A500-L548 HydrophobicContact CB-CD1 4.48Å; A500-L548 HydrophobicContact CB-CD2 3.37Å; P511-L548 HydrophobicContact CB-CD1 3.67Å; P511-L548 HydrophobicContact CG-CD1 3.88Å; R542-L548 PolarHBondContact NH1-O 2.75Å; R542-L548 PolarHBondContact NH2-O 3.26Å; L548-W617 HydrophobicContact CD1-CB 3.97Å; L548-W617 HydrophobicContact CD1-CD2 3.74Å; L548-W617 HydrophobicContact CD1-CE3 3.62Å; L548-W617 HydrophobicContact CD1-CG 3.89Å; L548-W617 HydrophobicContact CD1-CZ3 4.34Å; L548-W617 HydrophobicContact CD2-CD2 4.01Å; L548-W617 HydrophobicContact CD2-CE3 3.96Å; L548-W617 HydrophobicContact CD2-CH2 4.05Å; L548-W617 HydrophobicContact CD2-CZ2 4.11Å; L548-W617 HydrophobicContact CD2-CZ3 3.97Å; L548-W617 HydrophobicContact CG-CD2 3.97Å; L548-W617 HydrophobicContact CG-CE3 3.54Å; L548-W617 HydrophobicContact CG-CH2 4.33Å; L548-W617 HydrophobicContact CG-CZ3 3.74Å; L548-M629 WeakPolarHBondContact CB-O 3.11Å; L548-M629 HydrophobicContact CD1-CB 3.68Å; L548-M629 WeakPolarHBondContact CD1-O 3.29Å; L548-E630 PolarHBondContact N-O 2.02Å
549	N	70.9	Confident	87.2	Confident	113 Å²	113	43.7 Å²	43.7	60%	0.604	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97	-15.2	179.7	-65.9	-20.3	0	0	0	114.2	Q547	Q547-N549 PolarHBondContact O-N 2.79Å
550	S	68.4	Low	87.2	Confident	80 Å²	80	44.5 Å²	44.5	56%	0.559	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.1	-21.5	-164.3	64.1	0	0	0	0	116.1	Q547	Q547-S550 VanDerWaalsContact CB-OG 3.31Å; Q547-S550 WeakPolarHBondContact CB-OG 3.35Å; Q547-S550 PolarHBondContact O-N 2.82Å; Q547-S550 VanDerWaalsContact O-N 3.15Å; Q547-S550 PolarHBondContact O-OG 3.26Å
551	S	78.8	Confident	87	Confident	38 Å²	38	47.4 Å²	47.4	27%	0.266	26%	0.259	S	S	.	.			trans	-153.3	169.2	-171.5	59.7	0	0	0	0	113.8	R542 S545	R542-S551 WeakPolarHBondContact CD-O 3.14Å; R542-S551 PolarHBondContact NH1-O 3.11Å; R542-S551 VanDerWaalsContact NH1-O 3.12Å; S545-S551 WeakPolarHBondContact CB-O 3.46Å; S545-S551 PolarHBondContact OG-O 3.19Å; S545-S551 PolarHBondContact OG-OG 2.85Å
552	G	85	Confident	86.8	Confident	36 Å²	36	51.1 Å²	51.1	37%	0.371	28%	0.275	S	S	.	.			trans	108.9	161.1	174.3	0	0	0	0	0	113.8	L543	L543-G552 CarbonylContact O-C 3.53Å; L543-G552 WeakPolarHBondContact O-CA 3.34Å
553	D	90.3	Very high	86.4	Confident	87 Å²	87	51.9 Å²	51.9	47%	0.465	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	133.6	177.5	-69.9	-27.9	0	0	0	109.6	R542 L543 F555 I594	R542-D553 WeakPolarHBondContact CA-O 3.44Å; L543-D553 PolarHBondContact N-O 3.41Å; L543-D553 PolarHBondContact O-N 2.58Å; D553-F555 HydrophobicContact CB-CD2 4.26Å; D553-F555 HydrophobicContact CB-CE2 3.42Å; D553-F555 VanDerWaalsContact CB-CE2 3.42Å; D553-F555 HydrophobicContact CB-CZ 3.94Å; D553-F555 WeakPolarHBondContact O-CD2 3.32Å; D553-I594 HydrophobicContact CB-CD1 4.14Å; D553-I594 VanDerWaalsContact OD2-CD1 3.32Å; D553-I594 WeakPolarHBondContact OD2-CD1 3.15Å
554	L	92.7	Very high	86.1	Confident	82 Å²	82	58 Å²	58	43%	0.429	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	135.3	174.2	-70	172.3	0	0	0	110.6	I502 V540 V541 R542	I502-L554 HydrophobicContact CD1-CD2 4.11Å; V540-L554 HydrophobicContact CG2-CD2 4.14Å; V541-L554 CarbonylContact O-C 3.58Å; V541-L554 WeakPolarHBondContact O-CA 3.03Å; R542-L554 HydrophobicContact CB-CD2 3.92Å; R542-L554 HydrophobicContact CG-CD2 4.29Å
555	F	95	Very high	85.8	Confident	4 Å²	4	64.1 Å²	64.1	2%	0.018	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	130	178.5	-64.3	-98.4	0	0	0	110.5	V540 V541 L543 D553 L584 Q586 A588	V540-F555 WeakPolarHBondContact CA-O 3.05Å; V541-F555 PolarHBondContact N-O 3.46Å; V541-F555 PolarHBondContact O-N 3.4Å; L543-F555 HydrophobicContact CB-CD2 4.38Å; L543-F555 HydrophobicContact CB-CE2 4.02Å; L543-F555 HydrophobicContact CD1-CD2 3.86Å; L543-F555 HydrophobicContact CD1-CE2 3.74Å; L543-F555 HydrophobicContact CD1-CZ 4.4Å; L543-F555 HydrophobicContact CG-CD2 4.31Å; L543-F555 HydrophobicContact CG-CE2 4.29Å; D553-F555 HydrophobicContact CB-CD2 4.26Å; D553-F555 HydrophobicContact CB-CE2 3.42Å; D553-F555 VanDerWaalsContact CB-CE2 3.42Å; D553-F555 HydrophobicContact CB-CZ 3.94Å; D553-F555 WeakPolarHBondContact O-CD2 3.32Å; F555-L584 HydrophobicContact CB-CD1 4.18Å; F555-L584 HydrophobicContact CB-CD2 3.64Å; F555-L584 HydrophobicContact CB-CG 4.33Å; F555-L584 HydrophobicContact CD1-CD1 3.88Å; F555-L584 HydrophobicContact CE1-CD1 4.47Å; F555-L584 HydrophobicContact CG-CD1 3.98Å; F555-L584 HydrophobicContact CG-CD2 4.35Å; F555-Q586 HydrophobicContact CD1-CG 3.49Å; F555-Q586 VanDerWaalsContact CD1-CG 3.49Å; F555-Q586 HydrophobicContact CE1-CG 3.81Å; F555-A588 HydrophobicContact CE1-CB 4.01Å; F555-A588 HydrophobicContact CZ-CB 3.91Å
556	E	95.4	Very high	85.6	Confident	90 Å²	90	65.4 Å²	65.4	42%	0.421	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	149.1	167.3	-70.3	-77.3	172.5	0	0	110.3	K504 S585	K504-E556 IonicContact NZ-OE1 3.29Å; K504-E556 PolarHBondContact NZ-OE1 2.5Å; K504-E556 IonicContact NZ-OE2 3.74Å; K504-E556 PolarHBondContact NZ-OE2 2.87Å; E556-S585 WeakPolarHBondContact CB-OG 3.46Å; E556-S585 PolarHBondContact O-N 2.73Å; E556-S585 PolarHBondContact O-OG 2.55Å
557	I	96	Very high	85.5	Confident	5 Å²	5	68.1 Å²	68.1	3%	0.026	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	123	177.3	-57.8	176.1	0	0	0	108.6	M530 Y536 V541 L582 K583	M530-I557 HydrophobicContact CE-CD1 3.68Å; Y536-I557 HydrophobicContact CD2-CB 4.16Å; Y536-I557 HydrophobicContact CD2-CG2 3.85Å; Y536-I557 HydrophobicContact CG-CG2 4.22Å; V541-I557 HydrophobicContact CG2-CD1 4.02Å; V541-I557 HydrophobicContact CG2-CG1 3.99Å; I557-L582 HydrophobicContact CD1-CD1 4.13Å; I557-L582 HydrophobicContact CD1-CD2 4.44Å; I557-L582 HydrophobicContact CG2-CD2 4.46Å; I557-K583 CarbonylContact C-O 3.56Å
558	D	92.1	Very high	85.5	Confident	72 Å²	72	66 Å²	66	39%	0.385	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	-45	175.8	-168.6	42.1	0	0	0	111.2	Y536 K583	Y536-D558 WeakPolarHBondContact CE2-O 3.37Å; Y536-D558 PolarHBondContact OH-O 3.2Å; D558-K583 HydrophobicContact CB-CB 4.44Å; D558-K583 HydrophobicContact CB-CD 4.37Å; D558-K583 HydrophobicContact CB-CG 4.37Å; D558-K583 WeakPolarHBondContact CB-O 3.46Å; D558-K583 PolarHBondContact N-O 2.89Å; D558-K583 WeakPolarHBondContact OD2-CE 3.26Å; D558-K583 IonicContact OD2-NZ 3.05Å; D558-K583 PolarHBondContact OD2-NZ 2.55Å
559	Y	92.7	Very high	85.3	Confident	123 Å²	123	74.1 Å²	74.1	48%	0.482	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	156.1	-175.4	-168.2	-106.3	0	0	0	112	Y536 I561 K583	Y536-Y559 HydrophobicContact CE1-CD2 4.22Å; Y559-I561 HydrophobicContact CD1-CG1 3.85Å; Y559-I561 HydrophobicContact CE1-CG1 3.63Å; Y559-K583 PolarHBondContact O-N 3.31Å
560	A	93.7	Very high	85.2	Confident	19 Å²	19	72.9 Å²	72.9	16%	0.157	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	134.2	177.5	0	0	0	0	0	111.4	Y536 M580 L581 L582	Y536-A560 HydrophobicContact CD1-CB 4.3Å; Y536-A560 HydrophobicContact CG-CB 4.37Å; A560-M580 HydrophobicContact CB-SD 4.27Å; A560-L581 CarbonylContact C-O 3.6Å; A560-L581 WeakPolarHBondContact CA-O 3.44Å; A560-L582 HydrophobicContact CB-CD2 3.56Å
561	I	91.5	Very high	85	Confident	71 Å²	71	76.1 Å²	76.1	36%	0.364	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	103.2	177.7	-56.2	164.6	0	0	0	108.3	W522 Y559 M580 L581	W522-I561 HydrophobicContact CH2-CD1 3.67Å; W522-I561 HydrophobicContact CZ3-CD1 3.79Å; Y559-I561 HydrophobicContact CD1-CG1 3.85Å; Y559-I561 HydrophobicContact CE1-CG1 3.63Å; I561-M580 CarbonylContact O-C 3.55Å; I561-M580 WeakPolarHBondContact O-CA 3.22Å; I561-M580 WeakPolarHBondContact O-CG 3.24Å; I561-L581 HydrophobicContact CB-CB 4.24Å; I561-L581 PolarHBondContact N-O 2.81Å; I561-L581 PolarHBondContact O-N 2.81Å
562	K	89.7	Confident	84.2	Confident	78 Å²	78	81.3 Å²	81.3	34%	0.339	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	144.8	169.4	-174.3	173	-66.2	-167.4	0	110	A527 F566	A527-K562 HydrophobicContact CB-CD 4.15Å; A527-K562 HydrophobicContact CB-CG 3.75Å; K562-F566 HydrophobicContact CD-CB 4.1Å; K562-F566 HydrophobicContact CD-CD1 3.68Å; K562-F566 HydrophobicContact CD-CE1 4.39Å; K562-F566 HydrophobicContact CD-CG 4.06Å; K562-F566 HydrophobicContact CG-CB 3.95Å; K562-F566 HydrophobicContact CG-CD1 4.39Å; K562-F566 HydrophobicContact CG-CG 4.27Å
563	H	85.2	Confident	83	Confident	57 Å²	57	83.7 Å²	83.7	26%	0.264	41%	0.414	S	S	.	.			trans	-55	129.9	173.2	-165.5	-86.9	0	0	0	110.5	Q565 F566 N577 L579	H563-Q565 PolarHBondContact ND1-N 2.98Å; H563-Q565 VanDerWaalsContact ND1-N 3.16Å; H563-Q565 PolarHBondContact O-N 3.26Å; H563-Q565 VanDerWaalsContact O-N 3.12Å; H563-F566 HydrophobicContact CB-CB 4.34Å; H563-F566 WeakPolarHBondContact O-CB 3.36Å; H563-F566 PolarHBondContact O-N 3.11Å; H563-N577 HydrophobicContact CB-CB 4.33Å; H563-N577 WeakPolarHBondContact CB-O 3.06Å; H563-N577 WeakPolarHBondContact ND1-CB 3.46Å; H563-L579 HydrophobicContact CB-CB 4.34Å; H563-L579 WeakPolarHBondContact CB-O 3.43Å; H563-L579 PolarHBondContact N-O 2.99Å
564	P	85.1	Confident	81.6	Confident	127 Å²	127	85.8 Å²	85.8	83%	0.825	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-26.3	-175.6	-25.3	34	0	0	0	114.3
565	Q	84.4	Confident	80.6	Confident	137 Å²	137	82.4 Å²	82.4	64%	0.64	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	17.7	178.4	-55.9	178	-73.1	0	0	112.8	H563 D567 N577	H563-Q565 PolarHBondContact ND1-N 2.98Å; H563-Q565 VanDerWaalsContact ND1-N 3.16Å; H563-Q565 PolarHBondContact O-N 3.26Å; H563-Q565 VanDerWaalsContact O-N 3.12Å; Q565-D567 PolarHBondContact O-N 3.43Å; Q565-N577 WeakPolarHBondContact CB-ND2 3.38Å; Q565-N577 PolarHBondContact O-ND2 3.38Å
566	F	82.7	Confident	79.7	Confident	37 Å²	37	88.2 Å²	88.2	16%	0.162	44%	0.435	C	S	.	.			trans	-59.8	120.3	171.9	172.4	-101.8	0	0	0	109.5	A527 K562 H563 R568 A575 Q576 D578	A527-F566 HydrophobicContact CB-CB 4.29Å; A527-F566 HydrophobicContact CB-CD1 4.23Å; A527-F566 HydrophobicContact CB-CD2 3.36Å; A527-F566 HydrophobicContact CB-CE1 4.4Å; A527-F566 HydrophobicContact CB-CE2 3.54Å; A527-F566 HydrophobicContact CB-CG 3.69Å; A527-F566 HydrophobicContact CB-CZ 4.06Å; K562-F566 HydrophobicContact CD-CB 4.1Å; K562-F566 HydrophobicContact CD-CD1 3.68Å; K562-F566 HydrophobicContact CD-CE1 4.39Å; K562-F566 HydrophobicContact CD-CG 4.06Å; K562-F566 HydrophobicContact CG-CB 3.95Å; K562-F566 HydrophobicContact CG-CD1 4.39Å; K562-F566 HydrophobicContact CG-CG 4.27Å; H563-F566 HydrophobicContact CB-CB 4.34Å; H563-F566 WeakPolarHBondContact O-CB 3.36Å; H563-F566 PolarHBondContact O-N 3.11Å; F566-R568 HydrophobicContact CZ-CB 4.19Å; F566-A575 HydrophobicContact CE2-CB 3.92Å; F566-Q576 WeakPolarHBondContact CA-O 3.36Å; F566-D578 HydrophobicContact CD2-CB 4.43Å; F566-D578 HydrophobicContact CE2-CB 4.19Å; F566-D578 WeakPolarHBondContact CE2-OD1 3.47Å
567	D	77.7	Confident	78.9	Confident	74 Å²	74	87.1 Å²	87.1	40%	0.396	43%	0.432	S	S	.	.	B	Isolated β-bridge	trans	-133.7	134.8	177.2	-175.5	23.8	0	0	0	110.2	Q565 Q576	Q565-D567 PolarHBondContact O-N 3.43Å; D567-Q576 PolarHBondContact N-O 3.23Å; D567-Q576 VanDerWaalsContact N-O 3.15Å; D567-Q576 PolarHBondContact O-N 3.1Å
568	R	75.9	Confident	78.2	Confident	50 Å²	50	87.2 Å²	87.2	19%	0.189	43%	0.433	C	S	.	.			trans	-146.4	106.3	172.6	-169.8	168.1	81.4	152.2	2.3	109.5	E531 F566 D570 A575	E531-R568 VanDerWaalsContact CD-CZ 3.47Å; E531-R568 IonicContact OE1-CZ 3.9Å; E531-R568 VanDerWaalsContact OE1-CZ 3.23Å; E531-R568 IonicContact OE1-NE 3.62Å; E531-R568 PolarHBondContact OE1-NE 2.04Å; E531-R568 IonicContact OE1-NH2 3.81Å; E531-R568 PolarHBondContact OE1-NH2 2.79Å; E531-R568 IonicContact OE2-CZ 2.8Å; E531-R568 IonicContact OE2-NE 3.74Å; E531-R568 PolarHBondContact OE2-NE 2.75Å; E531-R568 VanDerWaalsContact OE2-NE 3.11Å; E531-R568 IonicContact OE2-NH1 2.71Å; E531-R568 IonicContact OE2-NH2 2.85Å; E531-R568 PolarHBondContact OE2-NH2 2.9Å; F566-R568 HydrophobicContact CZ-CB 4.19Å; R568-D570 VanDerWaalsContact CG-O 3.27Å; R568-D570 WeakPolarHBondContact CG-O 3.49Å; R568-D570 PolarHBondContact O-N 3.09Å; R568-A575 HydrophobicContact CB-CB 4.4Å; R568-A575 HydrophobicContact CG-CB 4.36Å
569	K	68.5	Low	78	Confident	177 Å²	177	86 Å²	86	77%	0.77	43%	0.426	S	S	*	.	S	Bend	trans	-65.5	-34.9	-176.1	-63.7	-177.8	-178.8	177.3	0	113.5
570	D	69.5	Low	77.7	Confident	87 Å²	87	80.5 Å²	80.5	47%	0.465	41%	0.405	S	S	.	.	S	Bend	trans	-154.6	156.9	177.7	-168.8	2.1	0	0	0	110	R568 N572 N573	R568-D570 VanDerWaalsContact CG-O 3.27Å; R568-D570 WeakPolarHBondContact CG-O 3.49Å; R568-D570 PolarHBondContact O-N 3.09Å; D570-N572 PolarHBondContact O-N 2.97Å; D570-N572 VanDerWaalsContact O-N 3.11Å; D570-N573 PolarHBondContact O-N 3.38Å
571	K	63.7	Low	77.7	Confident	147 Å²	147	82.1 Å²	82.1	64%	0.639	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-26.4	177.7	-72.6	-173	175.1	177	0	113.8
572	N	60.7	Low	77.8	Confident	148 Å²	148	78.8 Å²	78.8	79%	0.791	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-10.1	179.5	-64.8	-14.8	0	0	0	113.5	D570	D570-N572 PolarHBondContact O-N 2.97Å; D570-N572 VanDerWaalsContact O-N 3.11Å
573	N	59.7	Low	78	Confident	86 Å²	86	77.3 Å²	77.3	46%	0.46	39%	0.387	S	S	.	.	S	Bend	trans	-92	150.6	178.3	-77.6	-29.9	0	0	0	111.1	D570 A575	D570-N573 PolarHBondContact O-N 3.38Å; N573-A575 PolarHBondContact O-N 3.29Å
574	L	61.8	Low	78.4	Confident	130 Å²	130	74.6 Å²	74.6	68%	0.681	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-57.8	127.6	172.1	-66.6	171	0	0	0	110
575	A	70.8	Confident	78.7	Confident	12 Å²	12	71.4 Å²	71.4	10%	0.099	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-73	128.6	173.6	0	0	0	0	0	110.1	F566 R568 N573 D578	F566-A575 HydrophobicContact CE2-CB 3.92Å; R568-A575 HydrophobicContact CB-CB 4.4Å; R568-A575 HydrophobicContact CG-CB 4.36Å; N573-A575 PolarHBondContact O-N 3.29Å; A575-D578 HydrophobicContact CB-CB 3.68Å
576	Q	76.9	Confident	78.9	Confident	125 Å²	125	69.9 Å²	69.9	58%	0.584	35%	0.348	S	S	*	.	B	Isolated β-bridge	trans	-91.4	139.6	173.5	-66.2	-173.8	-12.2	0	0	110.1	F566 D567 D578	F566-Q576 WeakPolarHBondContact CA-O 3.36Å; D567-Q576 PolarHBondContact N-O 3.23Å; D567-Q576 VanDerWaalsContact N-O 3.15Å; D567-Q576 PolarHBondContact O-N 3.1Å; Q576-D578 VanDerWaalsContact C-N 3.28Å; Q576-D578 PolarHBondContact O-N 3.06Å
577	N	79.6	Confident	79	Confident	67 Å²	67	73.1 Å²	73.1	36%	0.358	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	46.4	-176.9	-50.3	-65.6	0	0	0	112.2	H563 Q565 L579	H563-N577 HydrophobicContact CB-CB 4.33Å; H563-N577 WeakPolarHBondContact CB-O 3.06Å; H563-N577 WeakPolarHBondContact ND1-CB 3.46Å; Q565-N577 WeakPolarHBondContact CB-ND2 3.38Å; Q565-N577 PolarHBondContact O-ND2 3.38Å; N577-L579 PolarHBondContact O-N 2.9Å
578	D	81.4	Confident	79.3	Confident	7 Å²	7	69.6 Å²	69.6	4%	0.037	35%	0.345	C	S	.	.			trans	-75	64.5	-174.1	-165.3	7.6	0	0	0	113	S526 A527 S528 F566 A575 Q576 H665	S526-D578 WeakPolarHBondContact CA-O 3.45Å; S526-D578 WeakPolarHBondContact CB-OD1 3Å; A527-D578 WeakPolarHBondContact CA-OD1 3.08Å; A527-D578 WeakPolarHBondContact CB-OD1 3.01Å; A527-D578 PolarHBondContact N-OD1 2.79Å; S528-D578 VanDerWaalsContact CB-OD2 3.27Å; S528-D578 WeakPolarHBondContact CB-OD2 3.4Å; S528-D578 PolarHBondContact N-OD1 2.83Å; S528-D578 PolarHBondContact OG-OD1 2.81Å; S528-D578 PolarHBondContact OG-OD2 2.85Å; F566-D578 HydrophobicContact CD2-CB 4.43Å; F566-D578 HydrophobicContact CE2-CB 4.19Å; F566-D578 WeakPolarHBondContact CE2-OD1 3.47Å; A575-D578 HydrophobicContact CB-CB 3.68Å; Q576-D578 VanDerWaalsContact C-N 3.28Å; Q576-D578 PolarHBondContact O-N 3.06Å; D578-H665 HydrophobicContact CB-CB 4.11Å; D578-H665 IonicContact OD2-CD2 2.97Å; D578-H665 IonicContact OD2-CE1 3.29Å; D578-H665 IonicContact OD2-CG 3.36Å; D578-H665 IonicContact OD2-ND1 2.79Å; D578-H665 IonicContact OD2-NE2 3.39Å; D578-H665 PolarHBondContact OD2-NE2 2.85Å
579	L	86.1	Confident	79.5	Confident	48 Å²	48	75.7 Å²	75.7	25%	0.251	37%	0.373	S	S	.	.			trans	-132.7	135.4	-172.2	-165.3	69.3	0	0	0	111.5	L524 H563 N577 I649	L524-L579 HydrophobicContact CD1-CD1 3.6Å; L524-L579 HydrophobicContact CD1-CD2 4.4Å; L524-L579 HydrophobicContact CD1-CG 3.97Å; L524-L579 HydrophobicContact CD2-CD1 3.88Å; L524-L579 HydrophobicContact CG-CD1 3.75Å; H563-L579 HydrophobicContact CB-CB 4.34Å; H563-L579 WeakPolarHBondContact CB-O 3.43Å; H563-L579 PolarHBondContact N-O 2.99Å; N577-L579 PolarHBondContact O-N 2.9Å; L579-I649 HydrophobicContact CD1-CD1 4.35Å
580	M	87.4	Confident	80	Confident	6 Å²	6	68.4 Å²	68.4	3%	0.03	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	140.2	176.2	-177.5	172.9	65.6	0	0	111.5	T525 A527 M530 A560 I561 L582	T525-M580 HydrophobicContact CG2-CB 4.09Å; T525-M580 HydrophobicContact CG2-CE 3.44Å; T525-M580 VanDerWaalsContact CG2-CE 3.44Å; T525-M580 HydrophobicContact CG2-CG 4.44Å; T525-M580 PolarHBondContact N-O 3.46Å; T525-M580 PolarHBondContact O-N 2.94Å; T525-M580 VanDerWaalsContact O-O 3.13Å; A527-M580 HydrophobicContact CB-CB 4.24Å; M530-M580 HydrophobicContact CB-CE 3.99Å; M530-M580 HydrophobicContact CB-SD 4.42Å; M530-M580 HydrophobicContact CE-CE 4.27Å; M530-M580 HydrophobicContact CG-CE 3.74Å; M530-M580 HydrophobicContact SD-CE 3.64Å; M530-M580 HydrophobicContact SD-SD 4.25Å; A560-M580 HydrophobicContact CB-SD 4.27Å; I561-M580 CarbonylContact O-C 3.55Å; I561-M580 WeakPolarHBondContact O-CA 3.22Å; I561-M580 WeakPolarHBondContact O-CG 3.24Å; M580-L582 HydrophobicContact CE-CD2 3.77Å; M580-L582 HydrophobicContact CE-CG 4.35Å; M580-L582 HydrophobicContact CG-CD2 4.35Å; M580-L582 HydrophobicContact SD-CD2 4.21Å
581	L	93.2	Very high	80.4	Confident	54 Å²	54	66 Å²	66	28%	0.283	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	135.1	170.8	-69.5	167	0	0	0	110.2	I518 W522 L523 L524 A560 I561	I518-L581 HydrophobicContact CD1-CD2 3.68Å; W522-L581 HydrophobicContact CE3-CB 4.01Å; W522-L581 HydrophobicContact CZ3-CB 3.99Å; L523-L581 CarbonylContact O-C 3.47Å; L523-L581 WeakPolarHBondContact O-CA 3.26Å; L524-L581 HydrophobicContact CD1-CD2 3.52Å; L524-L581 HydrophobicContact CD1-CG 4.16Å; A560-L581 CarbonylContact C-O 3.6Å; A560-L581 WeakPolarHBondContact CA-O 3.44Å; I561-L581 HydrophobicContact CB-CB 4.24Å; I561-L581 PolarHBondContact N-O 2.81Å; I561-L581 PolarHBondContact O-N 2.81Å
582	L	94.7	Very high	81	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	135.6	171.5	-59.2	178.3	0	0	0	109.8	I501 W522 L523 T525 M530 V541 I557 A560 M580	I501-L582 HydrophobicContact CD1-CD1 3.63Å; I501-L582 HydrophobicContact CG1-CD1 4.16Å; W522-L582 CarbonylContact C-O 3.52Å; W522-L582 WeakPolarHBondContact CA-O 3.37Å; L523-L582 HydrophobicContact CB-CB 4.3Å; L523-L582 PolarHBondContact N-O 2.84Å; L523-L582 PolarHBondContact O-N 3.39Å; T525-L582 HydrophobicContact CG2-CD1 3.91Å; T525-L582 HydrophobicContact CG2-CG 3.98Å; M530-L582 HydrophobicContact CE-CD1 3.82Å; M530-L582 HydrophobicContact CE-CD2 3.74Å; M530-L582 HydrophobicContact CE-CG 4.44Å; M530-L582 HydrophobicContact SD-CD2 4.03Å; V541-L582 HydrophobicContact CG2-CD1 4.42Å; I557-L582 HydrophobicContact CD1-CD1 4.13Å; I557-L582 HydrophobicContact CD1-CD2 4.44Å; I557-L582 HydrophobicContact CG2-CD2 4.46Å; A560-L582 HydrophobicContact CB-CD2 3.56Å; M580-L582 HydrophobicContact CE-CD2 3.77Å; M580-L582 HydrophobicContact CE-CG 4.35Å; M580-L582 HydrophobicContact CG-CD2 4.35Å; M580-L582 HydrophobicContact SD-CD2 4.21Å
583	K	94.1	Very high	82	Confident	47 Å²	47	60.6 Å²	60.6	20%	0.204	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	124.7	174.3	-169.1	-174.2	170.3	-150.1	0	109.8	R521 W522 I557 D558 Y559	R521-K583 HydrophobicContact CB-CG 4.48Å; R521-K583 CarbonylContact O-C 3.54Å; R521-K583 VanDerWaalsContact O-CA 3.31Å; R521-K583 WeakPolarHBondContact O-CA 3.34Å; W522-K583 HydrophobicContact CD2-CB 4.31Å; W522-K583 HydrophobicContact CD2-CG 4.34Å; W522-K583 HydrophobicContact CE3-CB 3.9Å; W522-K583 HydrophobicContact CE3-CG 4.42Å; W522-K583 HydrophobicContact CH2-CB 3.85Å; W522-K583 HydrophobicContact CH2-CD 3.98Å; W522-K583 HydrophobicContact CH2-CG 4.12Å; W522-K583 HydrophobicContact CZ2-CB 4.25Å; W522-K583 HydrophobicContact CZ2-CD 3.84Å; W522-K583 HydrophobicContact CZ2-CG 4.02Å; W522-K583 HydrophobicContact CZ3-CB 3.67Å; W522-K583 HydrophobicContact CZ3-CG 4.32Å; I557-K583 CarbonylContact C-O 3.56Å; D558-K583 HydrophobicContact CB-CB 4.44Å; D558-K583 HydrophobicContact CB-CD 4.37Å; D558-K583 HydrophobicContact CB-CG 4.37Å; D558-K583 WeakPolarHBondContact CB-O 3.46Å; D558-K583 PolarHBondContact N-O 2.89Å; D558-K583 WeakPolarHBondContact OD2-CE 3.26Å; D558-K583 IonicContact OD2-NZ 3.05Å; D558-K583 PolarHBondContact OD2-NZ 2.55Å; Y559-K583 PolarHBondContact O-N 3.31Å
584	L	93.2	Very high	83.3	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	143.5	173.2	-57.4	-178.6	0	0	0	111	L517 R521 L523 V541 L543 F555 Q586 A588	L517-L584 HydrophobicContact CD1-CD1 4.45Å; R521-L584 PolarHBondContact O-N 3.05Å; L523-L584 HydrophobicContact CD1-CD1 3.98Å; L523-L584 HydrophobicContact CD1-CD2 3.39Å; L523-L584 HydrophobicContact CD1-CG 3.54Å; V541-L584 HydrophobicContact CB-CD2 4.02Å; V541-L584 HydrophobicContact CG1-CD2 4.41Å; V541-L584 HydrophobicContact CG2-CD2 4.09Å; L543-L584 HydrophobicContact CD1-CD1 4.06Å; F555-L584 HydrophobicContact CB-CD1 4.18Å; F555-L584 HydrophobicContact CB-CD2 3.64Å; F555-L584 HydrophobicContact CB-CG 4.33Å; F555-L584 HydrophobicContact CD1-CD1 3.88Å; F555-L584 HydrophobicContact CE1-CD1 4.47Å; F555-L584 HydrophobicContact CG-CD1 3.98Å; F555-L584 HydrophobicContact CG-CD2 4.35Å; L584-Q586 VanDerWaalsContact C-N 3.26Å; L584-Q586 WeakPolarHBondContact CB-O 3.35Å; L584-Q586 PolarHBondContact O-N 3.45Å; L584-A588 HydrophobicContact CD1-CB 4.2Å
585	S	91.7	Very high	84.2	Confident	60 Å²	60	50.5 Å²	50.5	42%	0.42	25%	0.251	S	S	.	.	S	Bend	trans	-62.8	-33.4	174.1	64.5	0	0	0	0	112.9	E556	E556-S585 WeakPolarHBondContact CB-OG 3.46Å; E556-S585 PolarHBondContact O-N 2.73Å; E556-S585 PolarHBondContact O-OG 2.55Å
586	Q	88.1	Confident	84.7	Confident	105 Å²	105	50 Å²	50	49%	0.491	25%	0.246	S	C	.	.	S	Bend	trans	-126.4	157.1	-179	65.2	-177.4	27.5	0	0	111.5	F555 L584 A588	F555-Q586 HydrophobicContact CD1-CG 3.49Å; F555-Q586 VanDerWaalsContact CD1-CG 3.49Å; F555-Q586 HydrophobicContact CE1-CG 3.81Å; L584-Q586 VanDerWaalsContact C-N 3.26Å; L584-Q586 WeakPolarHBondContact CB-O 3.35Å; L584-Q586 PolarHBondContact O-N 3.45Å; Q586-A588 PolarHBondContact O-N 2.99Å
587	H	83.5	Confident	85.1	Confident	106 Å²	106	44.7 Å²	44.7	49%	0.491	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-70	126.3	176.3	-73.7	-160.8	0	0	0	110.1	R521 K589	R521-H587 WeakPolarHBondContact CD-CD2 3.14Å; R521-H587 WeakPolarHBondContact CG-CD2 3.34Å; R521-H587 PolarHBondContact NE-NE2 2.78Å; H587-K589 PolarHBondContact O-N 3.27Å
588	A	84.8	Confident	84.9	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-65.1	122.7	166.2	0	0	0	0	0	109.6	R520 L543 F555 L584 Q586 F590 I594	R520-A588 PolarHBondContact O-N 3.34Å; L543-A588 HydrophobicContact CD1-CB 4.05Å; F555-A588 HydrophobicContact CE1-CB 4.01Å; F555-A588 HydrophobicContact CZ-CB 3.91Å; L584-A588 HydrophobicContact CD1-CB 4.2Å; Q586-A588 PolarHBondContact O-N 2.99Å; A588-F590 PolarHBondContact O-N 3.28Å; A588-I594 HydrophobicContact CB-CG2 4.11Å
589	K	79.2	Confident	84.5	Confident	177 Å²	177	48.5 Å²	48.5	77%	0.77	25%	0.246	S	C	*	.	P	Polyproline II helix	trans	-73.6	117.5	172.6	-70.2	-178.8	-176.9	174.3	0	107.9	H587 S591	H587-K589 PolarHBondContact O-N 3.27Å; K589-S591 PolarHBondContact O-N 2.95Å
590	F	79.9	Confident	83.5	Confident	24 Å²	24	48.2 Å²	48.2	11%	0.105	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-64.7	134.7	177.8	-63.9	-11.9	0	0	0	109.8	I463 R520 A588 I594 M595 P596	I463-F590 HydrophobicContact CG2-CB 3.59Å; I463-F590 WeakPolarHBondContact CG2-O 3.5Å; R520-F590 HydrophobicContact CB-CE1 4.2Å; R520-F590 HydrophobicContact CB-CZ 4.15Å; R520-F590 HydrophobicContact CG-CD1 4.42Å; R520-F590 HydrophobicContact CG-CE1 3.53Å; R520-F590 HydrophobicContact CG-CE2 3.83Å; R520-F590 HydrophobicContact CG-CZ 3.17Å; A588-F590 PolarHBondContact O-N 3.28Å; F590-I594 CarbonylContact C-O 3.49Å; F590-I594 VanDerWaalsContact CA-O 3.27Å; F590-I594 WeakPolarHBondContact CA-O 3.44Å; F590-M595 HydrophobicContact CB-SD 4Å; F590-M595 HydrophobicContact CD2-CE 4.3Å; F590-M595 HydrophobicContact CD2-SD 3.85Å; F590-M595 HydrophobicContact CE2-SD 4.46Å; F590-M595 HydrophobicContact CG-SD 3.96Å; F590-P596 VanDerWaalsContact CE1-CD 3.46Å; F590-P596 HydrophobicContact CE1-CG 3.98Å; F590-P596 HydrophobicContact CE2-CG 4.12Å; F590-P596 VanDerWaalsContact CZ-CD 3.43Å; F590-P596 HydrophobicContact CZ-CG 3.54Å
591	S	77	Confident	81.8	Confident	37 Å²	37	52.3 Å²	52.3	26%	0.259	27%	0.274	S	S	.	.			trans	-144.9	-179.3	-175.7	80.6	0	0	0	0	109.4	K589 T593 I594	K589-S591 PolarHBondContact O-N 2.95Å; S591-T593 PolarHBondContact O-N 3.09Å; S591-T593 PolarHBondContact OG-N 2.83Å; S591-T593 VanDerWaalsContact OG-N 3.08Å; S591-T593 PolarHBondContact OG-OG1 2.87Å; S591-T593 VanDerWaalsContact OG-OG1 3.08Å; S591-I594 PolarHBondContact N-O 2.96Å; S591-I594 PolarHBondContact OG-N 3.33Å
592	K	76.5	Confident	79.8	Confident	140 Å²	140	56.7 Å²	56.7	61%	0.609	30%	0.303	S	S	*	.	S	Bend	trans	-63.1	-20.2	172.4	-65.8	-174.7	-179.8	-175.6	0	113	I463 A472	I463-K592 HydrophobicContact CD1-CG 4.48Å; A472-K592 HydrophobicContact CB-CB 3.72Å; A472-K592 HydrophobicContact CB-CD 4.35Å; A472-K592 HydrophobicContact CB-CG 3.87Å
593	T	82.1	Confident	77.7	Confident	42 Å²	42	65.9 Å²	65.9	26%	0.258	34%	0.343	S	S	.	.	S	Bend	trans	-110.6	-16.6	-176.9	63.3	0	0	0	0	113.1	H493 P496 G544 S591	H493-T593 HydrophobicContact CB-CG2 3.98Å; H493-T593 WeakPolarHBondContact ND1-CG2 3.43Å; P496-T593 VanDerWaalsContact CA-O 3.24Å; P496-T593 WeakPolarHBondContact CA-O 3.31Å; P496-T593 WeakPolarHBondContact CB-O 2.92Å; G544-T593 WeakPolarHBondContact CA-O 3.25Å; S591-T593 PolarHBondContact O-N 3.09Å; S591-T593 PolarHBondContact OG-N 2.83Å; S591-T593 VanDerWaalsContact OG-N 3.08Å; S591-T593 PolarHBondContact OG-OG1 2.87Å; S591-T593 VanDerWaalsContact OG-OG1 3.08Å
594	I	86.4	Confident	75.6	Confident	2 Å²	2	68.1 Å²	68.1	1%	0.01	35%	0.353	C	S	.	.			trans	-125.6	106.9	-178.5	-57	179	0	0	0	108.8	P496 L517 L543 G544 D553 A588 F590 S591	P496-I594 WeakPolarHBondContact O-CA 3.17Å; L517-I594 HydrophobicContact CD2-CG2 3.8Å; L543-I594 HydrophobicContact CB-CD1 3.9Å; L543-I594 HydrophobicContact CB-CG1 4.02Å; L543-I594 HydrophobicContact CB-CG2 4.19Å; L543-I594 HydrophobicContact CD1-CG2 4.18Å; G544-I594 VanDerWaalsContact CA-CG1 3.5Å; D553-I594 HydrophobicContact CB-CD1 4.14Å; D553-I594 VanDerWaalsContact OD2-CD1 3.32Å; D553-I594 WeakPolarHBondContact OD2-CD1 3.15Å; A588-I594 HydrophobicContact CB-CG2 4.11Å; F590-I594 CarbonylContact C-O 3.49Å; F590-I594 VanDerWaalsContact CA-O 3.27Å; F590-I594 WeakPolarHBondContact CA-O 3.44Å; S591-I594 PolarHBondContact N-O 2.96Å; S591-I594 PolarHBondContact OG-N 3.33Å
595	M	81	Confident	73.5	Confident	2 Å²	2	74 Å²	74	1%	0.01	38%	0.378	C	S	.	.			trans	-155.7	133.2	-178.9	-169.5	69.6	-175.9	0	0	109.3	K466 F470 P496 W497 F590	K466-M595 HydrophobicContact CB-CE 3.47Å; K466-M595 VanDerWaalsContact CB-CE 3.47Å; F470-M595 HydrophobicContact CB-CE 4.2Å; F470-M595 HydrophobicContact CB-CG 4.19Å; F470-M595 WeakPolarHBondContact O-CG 3.41Å; P496-M595 CarbonylContact C-O 3.59Å; P496-M595 HydrophobicContact CB-CB 3.83Å; P496-M595 HydrophobicContact CG-CB 3.78Å; P496-M595 PolarHBondContact O-N 2.87Å; W497-M595 WeakPolarHBondContact CA-O 3.34Å; W497-M595 WeakPolarHBondContact CB-O 3.47Å; W497-M595 PolarHBondContact N-O 2.92Å; F590-M595 HydrophobicContact CB-SD 4Å; F590-M595 HydrophobicContact CD2-CE 4.3Å; F590-M595 HydrophobicContact CD2-SD 3.85Å; F590-M595 HydrophobicContact CE2-SD 4.46Å; F590-M595 HydrophobicContact CG-SD 3.96Å
596	P	82.8	Confident	71.5	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-73.1	154.7	-177.9	28.6	-34.6	0	0	0	112.4	S467 C468 G469 L517 I518 F590	S467-P596 WeakPolarHBondContact O-CG 3.21Å; C468-P596 CarbonylContact C-O 3.44Å; C468-P596 WeakPolarHBondContact CA-O 3.45Å; C468-P596 HydrophobicContact CB-CB 4.48Å; C468-P596 HydrophobicContact CB-CG 4.13Å; G469-P596 PolarHBondContact N-O 3.48Å; L517-P596 HydrophobicContact CB-CB 4.41Å; L517-P596 HydrophobicContact CD2-CB 4.35Å; L517-P596 HydrophobicContact CG-CB 4.02Å; L517-P596 CarbonylContact O-C 3.44Å; L517-P596 WeakPolarHBondContact O-CA 3.32Å; L517-P596 WeakPolarHBondContact O-CB 3Å; I518-P596 VanDerWaalsContact C-CB 3.48Å; F590-P596 VanDerWaalsContact CE1-CD 3.46Å; F590-P596 HydrophobicContact CE1-CG 3.98Å; F590-P596 HydrophobicContact CE2-CG 4.12Å; F590-P596 VanDerWaalsContact CZ-CD 3.43Å; F590-P596 HydrophobicContact CZ-CG 3.54Å
597	V	85.6	Confident	69.4	Low	14 Å²	14	78.2 Å²	78.2	9%	0.085	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-82.6	151.6	167.3	74.1	0	0	0	0	109.9	W497 T516 L517 I518 F651	W497-V597 HydrophobicContact CB-CB 4.01Å; W497-V597 HydrophobicContact CD2-CB 3.7Å; W497-V597 HydrophobicContact CD2-CG2 4.08Å; W497-V597 HydrophobicContact CE3-CB 4.08Å; W497-V597 HydrophobicContact CE3-CG2 4.41Å; W497-V597 HydrophobicContact CG-CB 3.69Å; W497-V597 HydrophobicContact CG-CG1 4.46Å; W497-V597 HydrophobicContact CG-CG2 4.45Å; W497-V597 HydrophobicContact CZ2-CG2 4.23Å; T516-V597 HydrophobicContact CG2-CB 4.32Å; T516-V597 HydrophobicContact CG2-CG1 3.54Å; L517-V597 PolarHBondContact O-N 2.78Å; I518-V597 HydrophobicContact CG2-CG1 4.2Å; V597-F651 HydrophobicContact CG1-CZ 4.15Å
598	C	75	Confident	67.8	Low	52 Å²	52	76.1 Å²	76.1	35%	0.351	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-75.7	136.5	173.6	-61.8	0	0	0	0	110.4	C468 G469	C468-C598 HydrophobicContact CB-CB 4.05Å; C468-C598 WeakPolarHBondContact CB-SG 3.4Å; C468-C598 WeakPolarHBondContact SG-CA 3.5Å; C468-C598 WeakPolarHBondContact SG-CB 2.91Å; C468-C598 CovalentContact SG-SG 2.06Å; C468-C598 PolarHBondContact SG-SG 3.01Å; G469-C598 PolarHBondContact N-SG 3.1Å; G469-C598 VanDerWaalsContact N-SG 3.4Å
599	L	73.3	Confident	66	Low	103 Å²	103	81 Å²	81	54%	0.539	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-70.8	144.8	167.8	-69.1	176.4	0	0	0	109.4	I518	I518-L599 HydrophobicContact CB-CD2 4.16Å; I518-L599 HydrophobicContact CB-CG 4.34Å; I518-L599 HydrophobicContact CD1-CD1 4.35Å; I518-L599 HydrophobicContact CD1-CD2 4.4Å; I518-L599 HydrophobicContact CG2-CD2 3.79Å; I518-L599 HydrophobicContact CG2-CG 4.46Å
600	P	63.8	Low	64.5	Low	42 Å²	42	73.7 Å²	73.7	27%	0.273	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-63.9	154.2	171.3	28	-32.5	0	0	0	109.9	F604	P600-F604 HydrophobicContact CB-CB 3.62Å; P600-F604 HydrophobicContact CB-CD1 4Å; P600-F604 HydrophobicContact CB-CD2 4.29Å; P600-F604 HydrophobicContact CB-CG 3.72Å
601	P	51.4	Low	63.3	Low	91 Å²	91	80.8 Å²	80.8	59%	0.591	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-58.9	152.2	168.4	24.3	-31.1	0	0	0	110	K603 F604	P601-K603 PolarHBondContact O-N 2.69Å; P601-F604 HydrophobicContact CG-CB 3.94Å; P601-F604 HydrophobicContact CG-CD2 4.25Å; P601-F604 VanDerWaalsContact O-CB 3.26Å; P601-F604 WeakPolarHBondContact O-CB 3.23Å; P601-F604 PolarHBondContact O-N 3.34Å
602	T	51.4	Low	62.5	Low	146 Å²	146	81 Å²	81	90%	0.896	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-15.2	-177.1	56.4	0	0	0	0	114.3
603	K	50.6	Low	61.9	Low	193 Å²	193	76.2 Å²	76.2	84%	0.839	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.6	28.4	176.3	-59.3	-173.3	178.2	-172.6	0	112.5	P601	P601-K603 PolarHBondContact O-N 2.69Å
604	F	51.1	Low	61.3	Low	94 Å²	94	74.5 Å²	74.5	41%	0.412	38%	0.375	S	S	.	.			trans	-69.1	136.6	176.4	-175.3	-101.1	0	0	0	110.4	P600 P601 L606 P648	P600-F604 HydrophobicContact CB-CB 3.62Å; P600-F604 HydrophobicContact CB-CD1 4Å; P600-F604 HydrophobicContact CB-CD2 4.29Å; P600-F604 HydrophobicContact CB-CG 3.72Å; P601-F604 HydrophobicContact CG-CB 3.94Å; P601-F604 HydrophobicContact CG-CD2 4.25Å; P601-F604 VanDerWaalsContact O-CB 3.26Å; P601-F604 WeakPolarHBondContact O-CB 3.23Å; P601-F604 PolarHBondContact O-N 3.34Å; F604-L606 HydrophobicContact CE1-CB 4.27Å; F604-L606 HydrophobicContact CE1-CD1 3.86Å; F604-L606 HydrophobicContact CZ-CD1 4.38Å; F604-P648 HydrophobicContact CB-CG 4.13Å; F604-P648 HydrophobicContact CD1-CB 3.72Å; F604-P648 HydrophobicContact CD1-CG 3.96Å; F604-P648 HydrophobicContact CE1-CB 4.45Å; F604-P648 WeakPolarHBondContact O-CG 3.31Å
605	F	48.2	Very low	60.7	Low	123 Å²	123	75 Å²	75	54%	0.539	38%	0.377	S	S	.	.			trans	-117.7	117.9	176.6	-180	-96	0	0	0	108.7	R607	F605-R607 HydrophobicContact CD1-CG 4.35Å; F605-R607 HydrophobicContact CE1-CG 4.21Å
606	L	50	Low	60.6	Low	55 Å²	55	75.4 Å²	75.4	29%	0.288	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-84.7	122.2	172.4	-164.3	80.4	0	0	0	108	F604 A610 A639	F604-L606 HydrophobicContact CE1-CB 4.27Å; F604-L606 HydrophobicContact CE1-CD1 3.86Å; F604-L606 HydrophobicContact CZ-CD1 4.38Å; L606-A610 HydrophobicContact CD1-CB 4.2Å; L606-A610 HydrophobicContact CG-CB 4.07Å; L606-A639 HydrophobicContact CD2-CB 3.46Å; L606-A639 VanDerWaalsContact CD2-CB 3.46Å; L606-A639 HydrophobicContact CG-CB 4.47Å
607	R	44.4	Very low	60.3	Low	199 Å²	199	75.5 Å²	75.5	75%	0.751	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-67.3	144.4	176.8	-70.6	-175.3	-115.9	-165.2	-1.9	110.4	F605 A610	F605-R607 HydrophobicContact CD1-CG 4.35Å; F605-R607 HydrophobicContact CE1-CG 4.21Å; R607-A610 WeakPolarHBondContact O-CB 3.42Å; R607-A610 PolarHBondContact O-N 2.95Å
608	D	48.4	Very low	59.2	Low	62 Å²	62	77.5 Å²	77.5	33%	0.332	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	143	169.1	-69.3	-45.1	0	0	0	110.5	A610	D608-A610 PolarHBondContact O-N 2.79Å
609	N	47.9	Very low	58.6	Low	102 Å²	102	78.1 Å²	78.1	55%	0.545	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	16.3	-172	-51	-62.1	0	0	0	114.7	Y611 C638 A639	N609-Y611 PolarHBondContact O-N 2.96Å; N609-C638 VanDerWaalsContact CA-SG 3.58Å; N609-A639 PolarHBondContact N-O 2.97Å; N609-A639 VanDerWaalsContact N-O 3.09Å
610	A	47.1	Very low	57.4	Low	25 Å²	25	75.7 Å²	75.7	21%	0.207	39%	0.386	C	S	.	.			trans	-62.6	127	166.8	0	0	0	0	0	109.4	L606 R607 D608 C612 A639	L606-A610 HydrophobicContact CD1-CB 4.2Å; L606-A610 HydrophobicContact CG-CB 4.07Å; R607-A610 WeakPolarHBondContact O-CB 3.42Å; R607-A610 PolarHBondContact O-N 2.95Å; D608-A610 PolarHBondContact O-N 2.79Å; A610-C612 PolarHBondContact O-N 2.85Å; A610-A639 WeakPolarHBondContact O-CB 3Å; A610-A639 PolarHBondContact O-N 3.03Å
611	Y	55	Low	56.5	Low	173 Å²	173	80 Å²	80	68%	0.678	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.5	123	169.4	-67.2	-75.4	0	0	0	109.4	N609 L636	N609-Y611 PolarHBondContact O-N 2.96Å; Y611-L636 HydrophobicContact CD1-CD1 4.33Å; Y611-L636 HydrophobicContact CD1-CD2 3.65Å; Y611-L636 HydrophobicContact CD1-CG 3.86Å; Y611-L636 HydrophobicContact CE1-CD2 4.1Å; Y611-L636 HydrophobicContact CG-CD1 4.48Å; Y611-L636 HydrophobicContact CG-CD2 4.33Å; Y611-L636 HydrophobicContact CG-CG 4.48Å
612	C	59.9	Low	55.9	Low	40 Å²	40	84.6 Å²	84.6	27%	0.27	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	151.9	177.3	-65.5	0	0	0	0	109	A610 L636 V637	A610-C612 PolarHBondContact O-N 2.85Å; C612-L636 CarbonylContact O-C 3.56Å; C612-V637 PolarHBondContact N-O 2.83Å; C612-V637 PolarHBondContact O-N 2.77Å
613	M	64.5	Low	55.2	Low	41 Å²	41	88.9 Å²	88.9	20%	0.202	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	117.1	174.1	-165.2	68.7	62.3	0	0	109.1	M477 W495 R634 L636	M477-M613 HydrophobicContact SD-CE 3.73Å; W495-M613 HydrophobicContact CH2-CB 4.13Å; W495-M613 HydrophobicContact CH2-CG 3.82Å; W495-M613 HydrophobicContact CZ2-CG 3.84Å; M613-R634 HydrophobicContact CG-CB 4.3Å; M613-R634 HydrophobicContact SD-CB 3.89Å; M613-R634 HydrophobicContact SD-CG 4.21Å; M613-L636 HydrophobicContact CE-CD1 3.97Å
614	A	70.2	Confident	54.6	Low	6 Å²	6	84 Å²	84	5%	0.05	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	141.6	168.9	0	0	0	0	0	110.1	R634 L635 V637 A652 L662	A614-R634 CarbonylContact O-C 3.45Å; A614-R634 VanDerWaalsContact O-CA 3.24Å; A614-R634 WeakPolarHBondContact O-CA 3.29Å; A614-L635 HydrophobicContact CB-CB 4.3Å; A614-L635 PolarHBondContact N-O 2.77Å; A614-L635 PolarHBondContact O-N 2.85Å; A614-V637 HydrophobicContact CB-CG2 3.59Å; A614-A652 HydrophobicContact CB-CB 3.44Å; A614-A652 VanDerWaalsContact CB-CB 3.44Å; A614-L662 HydrophobicContact CB-CD2 3.65Å
615	L	73.6	Confident	53.8	Low	13 Å²	13	86.9 Å²	86.9	7%	0.068	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	142.9	176.9	-64.5	168.8	0	0	0	109.5	W495 Y514 Q633 R634	W495-L615 HydrophobicContact CB-CD1 3.93Å; W495-L615 HydrophobicContact CD2-CD1 3.59Å; W495-L615 HydrophobicContact CD2-CD2 3.8Å; W495-L615 HydrophobicContact CD2-CG 4.29Å; W495-L615 HydrophobicContact CE3-CD1 3.56Å; W495-L615 HydrophobicContact CE3-CD2 4.45Å; W495-L615 HydrophobicContact CE3-CG 4.5Å; W495-L615 HydrophobicContact CG-CD1 3.75Å; W495-L615 HydrophobicContact CG-CD2 3.85Å; W495-L615 HydrophobicContact CG-CG 4.48Å; W495-L615 HydrophobicContact CZ2-CD2 4.32Å; W495-L615 HydrophobicContact CZ3-CD1 4.26Å; Y514-L615 HydrophobicContact CE1-CB 4.31Å; Y514-L615 HydrophobicContact CE2-CB 3.85Å; Y514-L615 VanDerWaalsContact OH-CD1 3.3Å; Y514-L615 WeakPolarHBondContact OH-CD1 3.23Å; L615-Q633 WeakPolarHBondContact CA-O 3.42Å; L615-R634 HydrophobicContact CD2-CB 3.83Å
616	G	77.5	Confident	53.1	Low	9 Å²	9	93.1 Å²	93.1	9%	0.093	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	157	177.7	0	0	0	0	0	111.8	Q633	G616-Q633 PolarHBondContact N-O 2.9Å; G616-Q633 PolarHBondContact O-N 3.07Å
617	W	76.4	Confident	52.5	Low	2 Å²	2	96.5 Å²	96.5	1%	0.008	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	132.6	171.8	-60.8	97.1	0	0	0	108.3	S498 A499 A500 Y514 S545 L548 M629 K631 L632	S498-W617 WeakPolarHBondContact OG-CZ2 3.5Å; A499-W617 PolarHBondContact O-NE1 3.33Å; A500-W617 HydrophobicContact CB-CZ2 4.49Å; Y514-W617 AromaticContact CD2-CD1 3.78Å; Y514-W617 AromaticContact CD2-NE1 3.7Å; S545-W617 WeakPolarHBondContact O-CH2 3.2Å; L548-W617 HydrophobicContact CD1-CB 3.97Å; L548-W617 HydrophobicContact CD1-CD2 3.74Å; L548-W617 HydrophobicContact CD1-CE3 3.62Å; L548-W617 HydrophobicContact CD1-CG 3.89Å; L548-W617 HydrophobicContact CD1-CZ3 4.34Å; L548-W617 HydrophobicContact CD2-CD2 4.01Å; L548-W617 HydrophobicContact CD2-CE3 3.96Å; L548-W617 HydrophobicContact CD2-CH2 4.05Å; L548-W617 HydrophobicContact CD2-CZ2 4.11Å; L548-W617 HydrophobicContact CD2-CZ3 3.97Å; L548-W617 HydrophobicContact CG-CD2 3.97Å; L548-W617 HydrophobicContact CG-CE3 3.54Å; L548-W617 HydrophobicContact CG-CH2 4.33Å; L548-W617 HydrophobicContact CG-CZ3 3.74Å; W617-M629 HydrophobicContact CB-CB 4.09Å; W617-M629 HydrophobicContact CB-CE 3.91Å; W617-M629 HydrophobicContact CB-CG 4.43Å; W617-M629 HydrophobicContact CB-SD 3.78Å; W617-M629 WeakPolarHBondContact O-CE 3.43Å; W617-K631 VanDerWaalsContact CE3-C 3.47Å; W617-L632 HydrophobicContact CD2-CD1 4.09Å; W617-L632 HydrophobicContact CE3-CB 4.02Å; W617-L632 HydrophobicContact CE3-CD1 4.44Å; W617-L632 HydrophobicContact CH2-CB 3.98Å; W617-L632 HydrophobicContact CH2-CD1 4.48Å; W617-L632 HydrophobicContact CZ2-CB 4.46Å; W617-L632 HydrophobicContact CZ2-CD1 4.12Å; W617-L632 HydrophobicContact CZ3-CB 3.74Å
618	M	63.9	Low	52.6	Low	56 Å²	56	89.2 Å²	89.2	28%	0.276	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	163.3	175.8	-58.6	179.6	66.2	0	0	110.8	A487 E630 K631 Q633	A487-M618 HydrophobicContact CB-SD 4.23Å; M618-E630 PolarHBondContact O-N 2.79Å; M618-K631 PolarHBondContact N-O 3Å; M618-K631 VanDerWaalsContact N-O 3.13Å; M618-K631 PolarHBondContact O-N 2.84Å; M618-Q633 HydrophobicContact CB-CG 3.81Å; M618-Q633 HydrophobicContact CG-CB 4.41Å; M618-Q633 HydrophobicContact CG-CG 4.11Å; M618-Q633 HydrophobicContact SD-CB 4.32Å; M618-Q633 HydrophobicContact SD-CG 4.27Å
619	D	62	Low	52.7	Low	66 Å²	66	87.4 Å²	87.4	35%	0.353	45%	0.446	S	S	.	.			trans	-70.5	132.2	166.1	-167.6	-10.3	0	0	0	109.3	D621	D619-D621 VanDerWaalsContact C-N 3.33Å; D619-D621 PolarHBondContact OD1-N 3.28Å
620	A	48.4	Very low	53.3	Low	52 Å²	52	86.3 Å²	86.3	43%	0.43	44%	0.437	S	S	.	.			trans	-81.7	-17.9	177.4	0	0	0	0	0	111.9	K631	A620-K631 HydrophobicContact CB-CD 4.14Å
621	D	43.7	Very low	54.3	Low	131 Å²	131	87.6 Å²	87.6	70%	0.701	44%	0.438	S	S	*	.	S	Bend	trans	-112.2	149	-167.8	-108.2	-29.4	0	0	0	116	D619	D619-D621 VanDerWaalsContact C-N 3.33Å; D619-D621 PolarHBondContact OD1-N 3.28Å
622	K	39.1	Very low	54.8	Low	188 Å²	188	80 Å²	80	82%	0.817	41%	0.409	S	S	*	.			trans	-77.9	151.1	-167.6	-64.7	172.8	178.1	173.2	0	111.7
623	R	37.2	Very low	54.9	Low	237 Å²	237	79 Å²	79	89%	0.894	40%	0.401	S	S	*	.	S	Bend	trans	74.6	83.5	163.6	-64.6	178.1	169	-177.8	-2.9	116.3	E625	R623-E625 PolarHBondContact O-N 3.41Å
624	G	39.1	Very low	54.6	Low	91 Å²	91	77.4 Å²	77.4	94%	0.938	39%	0.392	S	S	*	.	S	Bend	trans	65.6	-3.4	136	0	0	0	0	0	119
625	E	33.7	Very low	53.7	Low	153 Å²	153	78.9 Å²	78.9	72%	0.715	40%	0.399	S	S	*	.			trans	-96.5	126.3	172.8	-71.5	-169	164.4	0	0	109.9	R623 L627	R623-E625 PolarHBondContact O-N 3.41Å; E625-L627 PolarHBondContact O-N 3.35Å
626	R	33.5	Very low	52.4	Low	255 Å²	255	81.1 Å²	81.1	96%	0.962	41%	0.411	S	S	*	.			trans	-67	90.3	177.1	-76.7	174.9	165.2	166.1	-3.7	109.8
627	L	37.6	Very low	51.1	Low	125 Å²	125	82.2 Å²	82.2	65%	0.654	42%	0.416	S	S	*	.			trans	-118.3	150.6	165.8	-68.3	168.9	0	0	0	109.7	E625	E625-L627 PolarHBondContact O-N 3.35Å
628	A	46.6	Very low	49.2	Very low	46 Å²	46	84.4 Å²	84.4	38%	0.38	43%	0.431	S	S	.	.			trans	-57.5	150.6	-164.3	0	0	0	0	0	112.6	E630	A628-E630 WeakPolarHBondContact O-CG 3.49Å; A628-E630 PolarHBondContact O-N 2.77Å
629	M	50.9	Low	48.1	Very low	25 Å²	25	82.8 Å²	82.8	12%	0.123	43%	0.426	C	S	.	.			trans	-55	124.9	172.2	-58.5	170.9	125.4	0	0	109.2	P511 L548 W617	P511-M629 HydrophobicContact CB-CB 4.24Å; P511-M629 HydrophobicContact CB-CG 4.35Å; P511-M629 HydrophobicContact CB-SD 3.7Å; P511-M629 HydrophobicContact CG-CB 3.63Å; P511-M629 HydrophobicContact CG-CG 3.87Å; P511-M629 HydrophobicContact CG-SD 3.89Å; L548-M629 WeakPolarHBondContact CB-O 3.11Å; L548-M629 HydrophobicContact CD1-CB 3.68Å; L548-M629 WeakPolarHBondContact CD1-O 3.29Å; W617-M629 HydrophobicContact CB-CB 4.09Å; W617-M629 HydrophobicContact CB-CE 3.91Å; W617-M629 HydrophobicContact CB-CG 4.43Å; W617-M629 HydrophobicContact CB-SD 3.78Å; W617-M629 WeakPolarHBondContact O-CE 3.43Å
630	E	60.4	Low	46.8	Very low	78 Å²	78	89.3 Å²	89.3	36%	0.364	45%	0.446	S	S	.	.			trans	-107.3	-42.1	-172.8	-59.8	-155.7	145.9	0	0	113	Q547 L548 M618 A628	Q547-E630 CarbonylContact C-O 3.58Å; Q547-E630 VanDerWaalsContact CA-O 3.22Å; Q547-E630 WeakPolarHBondContact CA-O 3.46Å; L548-E630 PolarHBondContact N-O 2.02Å; M618-E630 PolarHBondContact O-N 2.79Å; A628-E630 WeakPolarHBondContact O-CG 3.49Å; A628-E630 PolarHBondContact O-N 2.77Å
631	K	66.6	Low	46.3	Very low	53 Å²	53	93.3 Å²	93.3	23%	0.23	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	150.3	-166	-66.9	-178.6	168.9	-156.8	0	113.6	E489 Q547 W617 M618 A620	E489-K631 VanDerWaalsContact CD-NZ 3.28Å; E489-K631 HydrophobicContact CG-CD 4.5Å; E489-K631 WeakPolarHBondContact OE1-CD 3.42Å; E489-K631 IonicContact OE1-NZ 3.19Å; E489-K631 PolarHBondContact OE1-NZ 2.92Å; E489-K631 IonicContact OE2-NZ 2.81Å; E489-K631 PolarHBondContact OE2-NZ 2.94Å; Q547-K631 HydrophobicContact CG-CG 4.42Å; W617-K631 VanDerWaalsContact CE3-C 3.47Å; M618-K631 PolarHBondContact N-O 3Å; M618-K631 VanDerWaalsContact N-O 3.13Å; M618-K631 PolarHBondContact O-N 2.84Å; A620-K631 HydrophobicContact CB-CD 4.14Å
632	L	65.3	Low	45.7	Very low	12 Å²	12	94.8 Å²	94.8	6%	0.063	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	124.4	174	-173.5	66.2	0	0	0	110	A490 W495 S498 Y514 W617	A490-L632 HydrophobicContact CB-CB 4.21Å; A490-L632 HydrophobicContact CB-CD2 3.94Å; A490-L632 HydrophobicContact CB-CG 3.89Å; A490-L632 WeakPolarHBondContact CB-O 3.41Å; A490-L632 PolarHBondContact N-O 2.78Å; W495-L632 HydrophobicContact CB-CD2 4.08Å; W495-L632 HydrophobicContact CG-CD2 4.42Å; S498-L632 WeakPolarHBondContact OG-CD1 3.26Å; Y514-L632 HydrophobicContact CE2-CD1 4.06Å; W617-L632 HydrophobicContact CD2-CD1 4.09Å; W617-L632 HydrophobicContact CE3-CB 4.02Å; W617-L632 HydrophobicContact CE3-CD1 4.44Å; W617-L632 HydrophobicContact CH2-CB 3.98Å; W617-L632 HydrophobicContact CH2-CD1 4.48Å; W617-L632 HydrophobicContact CZ2-CB 4.46Å; W617-L632 HydrophobicContact CZ2-CD1 4.12Å; W617-L632 HydrophobicContact CZ3-CB 3.74Å
633	Q	62.3	Low	45.4	Very low	21 Å²	21	91.5 Å²	91.5	10%	0.098	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	158.2	176	-59.5	-63.6	-39.1	0	0	110.6	A487 L488 L615 G616 M618	A487-Q633 HydrophobicContact CB-CB 4.03Å; L488-Q633 CarbonylContact O-C 3.41Å; L488-Q633 WeakPolarHBondContact O-CA 3.43Å; L488-Q633 PolarHBondContact O-OE1 2.02Å; L488-Q633 VanDerWaalsContact O-OE1 3.09Å; L615-Q633 WeakPolarHBondContact CA-O 3.42Å; G616-Q633 PolarHBondContact N-O 2.9Å; G616-Q633 PolarHBondContact O-N 3.07Å; M618-Q633 HydrophobicContact CB-CG 3.81Å; M618-Q633 HydrophobicContact CG-CB 4.41Å; M618-Q633 HydrophobicContact CG-CG 4.11Å; M618-Q633 HydrophobicContact SD-CB 4.32Å; M618-Q633 HydrophobicContact SD-CG 4.27Å
634	R	58.6	Low	45	Very low	6 Å²	6	87.8 Å²	87.8	2%	0.023	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	151.5	174.1	66.4	174.5	-178.3	89.8	-5.4	111.7	N476 D478 A487 L488 M613 A614 L615	N476-R634 PolarHBondContact ND2-NE 3.45Å; N476-R634 WeakPolarHBondContact O-CD 3.36Å; N476-R634 PolarHBondContact O-NE 2.83Å; N476-R634 PolarHBondContact OD1-NE 3.27Å; D478-R634 VanDerWaalsContact N-NH2 3.17Å; D478-R634 VanDerWaalsContact O-CZ 3.31Å; D478-R634 PolarHBondContact O-NH1 2.99Å; D478-R634 PolarHBondContact O-NH2 2.8Å; D478-R634 IonicContact OD2-NH2 3.23Å; D478-R634 PolarHBondContact OD2-NH2 2.88Å; A487-R634 WeakPolarHBondContact CA-O 3.43Å; L488-R634 HydrophobicContact CB-CG 4.17Å; L488-R634 VanDerWaalsContact CD1-NH2 3.3Å; L488-R634 PolarHBondContact N-O 2.94Å; L488-R634 WeakPolarHBondContact O-CG 3.31Å; L488-R634 PolarHBondContact O-N 3.49Å; M613-R634 HydrophobicContact CG-CB 4.3Å; M613-R634 HydrophobicContact SD-CB 3.89Å; M613-R634 HydrophobicContact SD-CG 4.21Å; A614-R634 CarbonylContact O-C 3.45Å; A614-R634 VanDerWaalsContact O-CA 3.24Å; A614-R634 WeakPolarHBondContact O-CA 3.29Å; L615-R634 HydrophobicContact CD2-CB 3.83Å
635	L	51	Low	44.6	Very low	37 Å²	37	84.8 Å²	84.8	19%	0.194	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	131.6	172	174.8	58.4	0	0	0	110	I480 Y486 A614 V637 L662	I480-L635 HydrophobicContact CD1-CD1 3.86Å; Y486-L635 WeakPolarHBondContact O-CD1 3.26Å; A614-L635 HydrophobicContact CB-CB 4.3Å; A614-L635 PolarHBondContact N-O 2.77Å; A614-L635 PolarHBondContact O-N 2.85Å; L635-V637 HydrophobicContact CB-CG2 4.49Å; L635-V637 HydrophobicContact CD2-CG2 4.06Å; L635-V637 HydrophobicContact CG-CG2 3.94Å; L635-V637 PolarHBondContact O-N 2.92Å; L635-L662 HydrophobicContact CD2-CB 4.38Å; L635-L662 HydrophobicContact CD2-CD1 3.87Å; L635-L662 HydrophobicContact CD2-CD2 4.12Å; L635-L662 HydrophobicContact CD2-CG 4.35Å
636	L	46.2	Very low	44.3	Very low	60 Å²	60	87.3 Å²	87.3	31%	0.314	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	113.6	166.7	-167	72.3	0	0	0	108.8	T479 Y611 C612 M613	T479-L636 HydrophobicContact CG2-CD2 4.04Å; Y611-L636 HydrophobicContact CD1-CD1 4.33Å; Y611-L636 HydrophobicContact CD1-CD2 3.65Å; Y611-L636 HydrophobicContact CD1-CG 3.86Å; Y611-L636 HydrophobicContact CE1-CD2 4.1Å; Y611-L636 HydrophobicContact CG-CD1 4.48Å; Y611-L636 HydrophobicContact CG-CD2 4.33Å; Y611-L636 HydrophobicContact CG-CG 4.48Å; C612-L636 CarbonylContact O-C 3.56Å; M613-L636 HydrophobicContact CE-CD1 3.97Å
637	V	50.2	Low	43.9	Very low	33 Å²	33	81.8 Å²	81.8	20%	0.2	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	130.2	178.4	-175.8	0	0	0	0	108.8	C612 A614 L635 L662 V664	C612-V637 PolarHBondContact N-O 2.83Å; C612-V637 PolarHBondContact O-N 2.77Å; A614-V637 HydrophobicContact CB-CG2 3.59Å; L635-V637 HydrophobicContact CB-CG2 4.49Å; L635-V637 HydrophobicContact CD2-CG2 4.06Å; L635-V637 HydrophobicContact CG-CG2 3.94Å; L635-V637 PolarHBondContact O-N 2.92Å; V637-L662 HydrophobicContact CG2-CD2 4.14Å; V637-V664 HydrophobicContact CG1-CG2 4.15Å; V637-V664 HydrophobicContact CG2-CG2 4.35Å
638	C	38	Very low	43.4	Very low	48 Å²	48	77.7 Å²	77.7	32%	0.324	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	118.8	168.7	-174.1	0	0	0	0	108.3	N609 R640	N609-C638 VanDerWaalsContact CA-SG 3.58Å; C638-R640 PolarHBondContact O-N 2.75Å; C638-R640 VanDerWaalsContact O-N 3.13Å
639	A	39.3	Very low	43	Very low	21 Å²	21	77.7 Å²	77.7	17%	0.174	38%	0.381	C	S	.	.			trans	-63.7	116.2	173.7	0	0	0	0	0	109.5	L606 N609 A610	L606-A639 HydrophobicContact CD2-CB 3.46Å; L606-A639 VanDerWaalsContact CD2-CB 3.46Å; L606-A639 HydrophobicContact CG-CB 4.47Å; N609-A639 PolarHBondContact N-O 2.97Å; N609-A639 VanDerWaalsContact N-O 3.09Å; A610-A639 WeakPolarHBondContact O-CB 3Å; A610-A639 PolarHBondContact O-N 3.03Å
640	R	35.2	Very low	42.1	Very low	204 Å²	204	80.3 Å²	80.3	77%	0.77	40%	0.396	S	S	*	.			trans	-119.5	132.2	167.8	-72.7	-169.8	-177.4	-170.1	2.5	108.8	C638 H642	C638-R640 PolarHBondContact O-N 2.75Å; C638-R640 VanDerWaalsContact O-N 3.13Å; R640-H642 PolarHBondContact O-N 2.81Å
641	R	37.2	Very low	40.9	Very low	135 Å²	135	78 Å²	78	51%	0.509	39%	0.385	S	S	.	.			trans	-71.3	123.1	175.4	-160	174.6	-167.4	-179.9	2.7	110
642	H	32.4	Very low	39.5	Very low	162 Å²	162	76 Å²	76	75%	0.75	38%	0.377	S	S	*	.			trans	-91.3	144.3	150.6	-114.4	-72.2	0	0	0	107.5	R640 D644	R640-H642 PolarHBondContact O-N 2.81Å; H642-D644 PolarHBondContact O-N 2.96Å
643	V	31.8	Very low	38.1	Very low	119 Å²	119	78.5 Å²	78.5	72%	0.721	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-7.8	-154.1	177.2	0	0	0	0	117.2
644	D	29.3	Very low	36.6	Very low	160 Å²	160	78.2 Å²	78.2	86%	0.856	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.1	29.5	-167	-68.3	-43.6	0	0	0	118.1	H642	H642-D644 PolarHBondContact O-N 2.96Å
645	A	30.2	Very low	35.3	Very low	28 Å²	28	79 Å²	79	23%	0.231	40%	0.396	C	S	.	.			trans	-113.8	135.6	178.3	0	0	0	0	0	115	L666	A645-L666 HydrophobicContact CB-CB 3.61Å; A645-L666 HydrophobicContact CB-CD1 4.07Å; A645-L666 HydrophobicContact CB-CG 4.43Å
646	K	27.9	Very low	34.4	Very low	206 Å²	206	84.1 Å²	84.1	90%	0.896	41%	0.413	S	S	*	.			trans	-116.4	15.1	-176.3	-81.6	-173.4	178.7	177.1	0	115.2
647	M	25.4	Very low	33.6	Very low	139 Å²	139	85.1 Å²	85.1	69%	0.685	42%	0.421	S	S	*	.	S	Bend	trans	-139.9	152.9	170.8	-93.2	-168.5	176.6	0	0	113.2
648	P	27.2	Very low	32.6	Very low	38 Å²	38	94.6 Å²	94.6	25%	0.247	45%	0.454	C	S	.	.			trans	-86.6	128.7	171.9	-1.4	21.1	0	0	0	111.2	F604	F604-P648 HydrophobicContact CB-CG 4.13Å; F604-P648 HydrophobicContact CD1-CB 3.72Å; F604-P648 HydrophobicContact CD1-CG 3.96Å; F604-P648 HydrophobicContact CE1-CB 4.45Å; F604-P648 WeakPolarHBondContact O-CG 3.31Å
649	I	38.2	Very low	32	Very low	46 Å²	46	99.7 Å²	99.7	24%	0.236	48%	0.478	C	S	.	.			trans	-122.5	153.7	-178.6	-62.4	-166	0	0	0	112.6	L579 H665 L666	L579-I649 HydrophobicContact CD1-CD1 4.35Å; I649-H665 VanDerWaalsContact CG2-O 3.26Å; I649-H665 WeakPolarHBondContact CG2-O 3.34Å; I649-L666 WeakPolarHBondContact CD1-OXT 3.25Å; I649-L666 WeakPolarHBondContact CG1-OXT 3.4Å
650	L	32.4	Very low	31.4	Very low	81 Å²	81	103.2 Å²	103.2	42%	0.424	49%	0.49	S	S	.	.			trans	-115.2	5.7	-170.2	-106.4	146.9	0	0	0	115.5
651	F	34.5	Very low	30.9	Very low	30 Å²	30	100.6 Å²	100.6	13%	0.132	49%	0.49	C	S	.	.			trans	-131.9	147.9	-172.8	-55.2	-53.5	0	0	0	115.5	Y514 T516 L524 V597	Y514-F651 AromaticContact CE1-CD1 3.86Å; Y514-F651 HydrophobicContact CE1-CD1 3.86Å; T516-F651 HydrophobicContact CG2-CD1 4.25Å; T516-F651 HydrophobicContact CG2-CE1 3.27Å; T516-F651 HydrophobicContact CG2-CE2 4.21Å; T516-F651 HydrophobicContact CG2-CZ 3.22Å; T516-F651 WeakPolarHBondContact OG1-CD1 3Å; T516-F651 WeakPolarHBondContact OG1-CE1 3.4Å; T516-F651 VanDerWaalsContact OG1-CZ 3.24Å; T516-F651 WeakPolarHBondContact OG1-CZ 3.37Å; L524-F651 HydrophobicContact CB-CD2 4.06Å; L524-F651 HydrophobicContact CB-CE2 3.7Å; L524-F651 HydrophobicContact CD2-CD2 3.72Å; L524-F651 HydrophobicContact CD2-CE2 3.45Å; L524-F651 VanDerWaalsContact CD2-CE2 3.45Å; L524-F651 HydrophobicContact CG-CD2 4.08Å; L524-F651 HydrophobicContact CG-CE2 3.99Å; V597-F651 HydrophobicContact CG1-CZ 4.15Å
652	A	36.4	Very low	30.5	Very low	9 Å²	9	96.6 Å²	96.6	7%	0.074	48%	0.478	C	S	.	.			trans	-109.6	146	174.1	0	0	0	0	0	110.8	A614 L662 V664	A614-A652 HydrophobicContact CB-CB 3.44Å; A614-A652 VanDerWaalsContact CB-CB 3.44Å; A652-L662 HydrophobicContact CB-CD2 3.56Å; A652-L662 HydrophobicContact CB-CG 4.42Å; A652-V664 HydrophobicContact CB-CG2 4.31Å
653	K	36.6	Very low	30.3	Very low	65 Å²	65	91.6 Å²	91.6	28%	0.283	46%	0.455	S	S	.	.			trans	-69.1	133.7	167	-174.6	175	171.1	-177.6	0	109.4	V655 E663	K653-V655 PolarHBondContact O-N 3.32Å; K653-E663 HydrophobicContact CB-CB 4.44Å; K653-E663 WeakPolarHBondContact CB-O 3.21Å; K653-E663 HydrophobicContact CD-CB 4.23Å; K653-E663 WeakPolarHBondContact CD-OE2 3.5Å; K653-E663 PolarHBondContact N-O 2.69Å; K653-E663 VanDerWaalsContact N-O 3.17Å; K653-E663 IonicContact NZ-OE2 3.72Å; K653-E663 PolarHBondContact NZ-OE2 3.1Å
654	G	31.7	Very low	30.2	Very low	16 Å²	16	88.6 Å²	88.6	17%	0.165	44%	0.437	C	S	.	.			trans	-67.4	115.5	169.3	0	0	0	0	0	109.7
655	V	30.8	Very low	30.3	Very low	21 Å²	21	82.2 Å²	82.2	13%	0.127	40%	0.402	C	S	.	.			trans	-72.6	133.4	178.9	168.2	0	0	0	0	110.2	K653 T657 E660 L662	K653-V655 PolarHBondContact O-N 3.32Å; V655-T657 WeakPolarHBondContact CG1-O 3.31Å; V655-E660 HydrophobicContact CG1-CB 3.86Å; V655-E660 WeakPolarHBondContact CG1-O 3.32Å; V655-L662 HydrophobicContact CG2-CB 3.99Å; V655-L662 HydrophobicContact CG2-CD1 3.86Å; V655-L662 HydrophobicContact CG2-CG 3.98Å
656	R	32.4	Very low	30.4	Very low	146 Å²	146	84.9 Å²	84.9	55%	0.551	41%	0.412	S	S	*	.			trans	-92.5	-21.8	178.2	-84.1	-177.3	172.6	-147.7	-13.9	113.7	E510 E660	E510-R656 IonicContact OE1-CZ 3.14Å; E510-R656 IonicContact OE1-NH1 3.56Å; E510-R656 IonicContact OE1-NH2 3.39Å; E510-R656 PolarHBondContact OE1-NH2 3.04Å; R656-E660 PolarHBondContact N-OE2 2.75Å
657	T	28.6	Very low	30.5	Very low	80 Å²	80	78.9 Å²	78.9	49%	0.491	39%	0.388	S	S	.	.	S	Bend	trans	-149.6	163.6	-174.8	61.6	0	0	0	0	113.9	V655 D659 E660	V655-T657 WeakPolarHBondContact CG1-O 3.31Å; T657-D659 PolarHBondContact O-N 2.85Å; T657-D659 VanDerWaalsContact O-N 3.09Å; T657-E660 PolarHBondContact O-N 2.88Å
658	R	29.8	Very low	30.8	Very low	233 Å²	233	75.7 Å²	75.7	88%	0.879	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-26.2	-178.1	-90.1	-177.9	172	-178.7	-5.6	115.6
659	D	25	Very low	31	Very low	155 Å²	155	77.8 Å²	77.8	83%	0.829	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	2.3	-172	-61.5	-36.5	0	0	0	113.3	T657	T657-D659 PolarHBondContact O-N 2.85Å; T657-D659 VanDerWaalsContact O-N 3.09Å
660	E	26.4	Very low	30.5	Very low	94 Å²	94	79.6 Å²	79.6	44%	0.439	39%	0.388	S	S	.	.	S	Bend	trans	-91.6	107.6	174.1	-78.5	175.9	175	0	0	109.1	V655 R656 T657 L662	V655-E660 HydrophobicContact CG1-CB 3.86Å; V655-E660 WeakPolarHBondContact CG1-O 3.32Å; R656-E660 PolarHBondContact N-OE2 2.75Å; T657-E660 PolarHBondContact O-N 2.88Å; E660-L662 PolarHBondContact O-N 3.02Å
661	I	24.7	Very low	30.4	Very low	150 Å²	150	79.6 Å²	79.6	77%	0.769	39%	0.386	S	S	*	.			trans	-52.2	133.5	168	-63.2	170.9	0	0	0	107.6	E663	I661-E663 VanDerWaalsContact C-N 3.32Å; I661-E663 PolarHBondContact O-N 3.2Å
662	L	28.6	Very low	30.1	Very low	50 Å²	50	82.9 Å²	82.9	26%	0.262	40%	0.403	S	S	.	.			trans	-62.2	94.9	176.2	-156.4	124	0	0	0	108.7	A614 L635 V637 A652 V655 E660 V664	A614-L662 HydrophobicContact CB-CD2 3.65Å; L635-L662 HydrophobicContact CD2-CB 4.38Å; L635-L662 HydrophobicContact CD2-CD1 3.87Å; L635-L662 HydrophobicContact CD2-CD2 4.12Å; L635-L662 HydrophobicContact CD2-CG 4.35Å; V637-L662 HydrophobicContact CG2-CD2 4.14Å; A652-L662 HydrophobicContact CB-CD2 3.56Å; A652-L662 HydrophobicContact CB-CG 4.42Å; V655-L662 HydrophobicContact CG2-CB 3.99Å; V655-L662 HydrophobicContact CG2-CD1 3.86Å; V655-L662 HydrophobicContact CG2-CG 3.98Å; E660-L662 PolarHBondContact O-N 3.02Å; L662-V664 HydrophobicContact CD2-CG2 3.99Å; L662-V664 PolarHBondContact O-N 2.82Å
663	E	27.6	Very low	29.7	Very low	57 Å²	57	88.1 Å²	88.1	27%	0.266	43%	0.426	S	S	.	.			trans	-70.3	101	178.2	-70	-179.7	143.7	0	0	108.5	K653 I661 H665	K653-E663 HydrophobicContact CB-CB 4.44Å; K653-E663 WeakPolarHBondContact CB-O 3.21Å; K653-E663 HydrophobicContact CD-CB 4.23Å; K653-E663 WeakPolarHBondContact CD-OE2 3.5Å; K653-E663 PolarHBondContact N-O 2.69Å; K653-E663 VanDerWaalsContact N-O 3.17Å; K653-E663 IonicContact NZ-OE2 3.72Å; K653-E663 PolarHBondContact NZ-OE2 3.1Å; I661-E663 VanDerWaalsContact C-N 3.32Å; I661-E663 PolarHBondContact O-N 3.2Å; E663-H665 WeakPolarHBondContact CB-NE2 3.49Å; E663-H665 PolarHBondContact O-N 2.91Å; E663-H665 IonicContact OE2-CE1 2.75Å; E663-H665 IonicContact OE2-NE2 3.23Å; E663-H665 PolarHBondContact OE2-NE2 3.48Å
664	V	30.9	Very low	29.2	Very low	57 Å²	57	89.9 Å²	89.9	35%	0.345	44%	0.437	S	S	.	.			trans	-83.4	101.8	162.3	-179	0	0	0	0	106	V637 A652 L662	V637-V664 HydrophobicContact CG1-CG2 4.15Å; V637-V664 HydrophobicContact CG2-CG2 4.35Å; A652-V664 HydrophobicContact CB-CG2 4.31Å; L662-V664 HydrophobicContact CD2-CG2 3.99Å; L662-V664 PolarHBondContact O-N 2.82Å
665	H	31.1	Very low	28.9	Very low	26 Å²	26	96.1 Å²	96.1	12%	0.12	46%	0.46	C	S	.	.			trans	-76.4	126.4	176.1	-66.6	-78.2	0	0	0	109.2	D578 I649 E663	D578-H665 HydrophobicContact CB-CB 4.11Å; D578-H665 IonicContact OD2-CD2 2.97Å; D578-H665 IonicContact OD2-CE1 3.29Å; D578-H665 IonicContact OD2-CG 3.36Å; D578-H665 IonicContact OD2-ND1 2.79Å; D578-H665 IonicContact OD2-NE2 3.39Å; D578-H665 PolarHBondContact OD2-NE2 2.85Å; I649-H665 VanDerWaalsContact CG2-O 3.26Å; I649-H665 WeakPolarHBondContact CG2-O 3.34Å; E663-H665 WeakPolarHBondContact CB-NE2 3.49Å; E663-H665 PolarHBondContact O-N 2.91Å; E663-H665 IonicContact OE2-CE1 2.75Å; E663-H665 IonicContact OE2-NE2 3.23Å; E663-H665 PolarHBondContact OE2-NE2 3.48Å
666	L	31.7	Very low	28.8	Very low	84 Å²	84	102.9 Å²	102.9	44%	0.44	49%	0.49	S	S	.	.			trans	-95.7	0	179.5	-75.5	165.5	0	0	0	112.7	A645 I649	A645-L666 HydrophobicContact CB-CB 3.61Å; A645-L666 HydrophobicContact CB-CD1 4.07Å; A645-L666 HydrophobicContact CB-CG 4.43Å; I649-L666 WeakPolarHBondContact CD1-OXT 3.25Å; I649-L666 WeakPolarHBondContact CG1-OXT 3.4Å

Retrieved 666 of 666 residues in 172.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).