A0A087YJ87_POEFO Loading...

Ceramide transfer protein

AlphaFold DB , UniProt , Accession A0A087YJ87, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 623 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.8	Very low	32.4	Very low	227 Å²	227	133.1 Å²	133.1	100%	1.118	81%	0.809	S	S	*	*				0	78.7	0	-66.5	-178.7	-177.8	0	0	106.1
2	S	30.9	Very low	32.3	Very low	90 Å²	90	137.3 Å²	137.3	63%	0.629	81%	0.813	S	S	*	*			cis	64.8	129.1	25	-49.5	0	0	0	0	112.3
3	E	31.1	Very low	32.4	Very low	160 Å²	160	138.7 Å²	138.7	75%	0.748	81%	0.814	S	S	*	*			cis	-166.4	-173.8	1.7	-126.5	139.8	-114.1	0	0	112
4	K	33.2	Very low	32.7	Very low	195 Å²	195	138.7 Å²	138.7	85%	0.848	82%	0.816	S	S	*	*			trans	88.7	99.1	-178.2	-57.1	-176.9	178.3	-176.4	0	114.5
5	S	33.6	Very low	32.7	Very low	105 Å²	105	138.9 Å²	138.9	73%	0.734	81%	0.812	S	S	*	*			cis	77	99.1	7	89.8	0	0	0	0	118.9
6	S	26.7	Very low	33.4	Very low	114 Å²	114	137.3 Å²	137.3	80%	0.797	81%	0.807	S	S	*	*			trans	-158.5	106.1	152.5	50.2	0	0	0	0	107
7	S	29.6	Very low	33.8	Very low	113 Å²	113	139.8 Å²	139.8	79%	0.79	81%	0.81	S	S	*	*				76.5	100.4	91.8	-167.9	0	0	0	0	111.4
8	S	30.3	Very low	34.2	Very low	116 Å²	116	138.9 Å²	138.9	81%	0.811	81%	0.813	S	S	*	*				94.6	97.7	56.3	177.5	0	0	0	0	113.2
9	G	33.7	Very low	34.3	Very low	79 Å²	79	135.4 Å²	135.4	81%	0.814	81%	0.809	S	S	*	*			trans	85.4	107.8	139.6	0	0	0	0	0	119.5
10	S	26.9	Very low	34.5	Very low	116 Å²	116	137.8 Å²	137.8	81%	0.811	81%	0.811	S	S	*	*			trans	-155.2	155.3	137.4	59.9	0	0	0	0	108.9
11	D	41.4	Very low	35.2	Very low	149 Å²	149	135 Å²	135	80%	0.797	80%	0.797	S	S	*	*			trans	-67.9	157.9	171.4	-48	-94.9	0	0	0	111.5
12	E	32	Very low	36.2	Very low	183 Å²	183	131.6 Å²	131.6	86%	0.855	78%	0.783	S	S	*	*				-168.2	134.6	125.1	-105.7	163	-159.5	0	0	111.7
13	D	32.5	Very low	38.5	Very low	156 Å²	156	130.8 Å²	130.8	83%	0.834	77%	0.769	S	S	*	*			trans	45.3	134.5	160.6	-60.4	-21.4	0	0	0	124.4
14	V	37.8	Very low	41.3	Very low	139 Å²	139	125.5 Å²	125.5	84%	0.842	74%	0.743	S	S	*	*			trans	-90.4	113.7	166.1	174.3	0	0	0	0	108.4	P16	V14-P16 WeakPolarHBondContact O-CD 3.21Å
15	D	31.8	Very low	44	Very low	141 Å²	141	117.7 Å²	117.7	75%	0.754	72%	0.719	S	S	*	*			trans	-84.8	119.1	176.4	-166.7	2.8	0	0	0	111.1
16	P	44.5	Very low	46.8	Very low	113 Å²	113	113.4 Å²	113.4	73%	0.734	69%	0.691	S	S	*	*			trans	-100.4	27.3	-167.8	39.5	-35.8	0	0	0	115.4	V14 S18	V14-P16 WeakPolarHBondContact O-CD 3.21Å; P16-S18 PolarHBondContact O-N 3.11Å
17	E	40	Very low	49.9	Very low	181 Å²	181	112.1 Å²	112.1	85%	0.846	68%	0.678	S	S	*	*			trans	-94.6	92.7	178.1	-68.2	-150.2	144.3	0	0	114.4
18	S	40.3	Very low	52.9	Low	124 Å²	124	106.8 Å²	106.8	87%	0.867	64%	0.64	S	S	*	*			trans	-130.5	36.4	159.8	51.6	0	0	0	0	112.4	P16	P16-S18 PolarHBondContact O-N 3.11Å
19	G	36.4	Very low	55.8	Low	71 Å²	71	102.6 Å²	102.6	73%	0.732	61%	0.611	S	S	*	*			trans	-99.4	64.2	178.4	0	0	0	0	0	113.5	P21	G19-P21 WeakPolarHBondContact O-CD 3.27Å
20	Q	38.7	Very low	58.4	Low	183 Å²	183	99.6 Å²	99.6	86%	0.855	58%	0.576	S	S	*	*			trans	-69.7	126.6	166.6	-75.6	-171.8	-22.4	0	0	109.5	L22	Q20-L22 PolarHBondContact O-N 2.76Å
21	P	50.1	Low	60.8	Low	80 Å²	80	96.2 Å²	96.2	52%	0.519	55%	0.545	S	S	.	.			trans	-59.6	136.3	173.6	-24.3	35.1	0	0	0	111	G19 E23	G19-P21 WeakPolarHBondContact O-CD 3.27Å; P21-E23 PolarHBondContact O-N 3.08Å; P21-E23 VanDerWaalsContact O-N 3.09Å
22	L	58.5	Low	62	Low	156 Å²	156	90.6 Å²	90.6	82%	0.817	52%	0.516	S	S	*	.			trans	-65.1	109.1	177.7	-73.6	166.3	0	0	0	109.6	Q20 F24	Q20-L22 PolarHBondContact O-N 2.76Å; L22-F24 PolarHBondContact O-N 3.44Å
23	E	80.1	Confident	63	Low	72 Å²	72	83.5 Å²	83.5	34%	0.336	48%	0.484	S	S	.	.			trans	-74.2	110.9	174.8	-176.3	178.5	134.1	0	0	109.2	P21 V44 K46 R59	P21-E23 PolarHBondContact O-N 3.08Å; P21-E23 VanDerWaalsContact O-N 3.09Å; E23-V44 HydrophobicContact CG-CG1 3.56Å; E23-K46 HydrophobicContact CG-CB 4.43Å; E23-K46 HydrophobicContact CG-CD 4.2Å; E23-K46 WeakPolarHBondContact OE2-CD 3.37Å; E23-K46 WeakPolarHBondContact OE2-CE 3.11Å; E23-K46 IonicContact OE2-NZ 3.52Å; E23-K46 PolarHBondContact OE2-NZ 3.42Å; E23-R59 IonicContact OE1-CZ 2.78Å; E23-R59 VanDerWaalsContact OE1-CZ 3.22Å; E23-R59 IonicContact OE1-NH1 2.72Å; E23-R59 PolarHBondContact OE1-NH1 3.43Å; E23-R59 IonicContact OE1-NH2 3.8Å; E23-R59 PolarHBondContact OE1-NH2 2.88Å; E23-R59 IonicContact OE2-NH2 3.42Å
24	F	88.5	Confident	63.2	Low	49 Å²	49	79 Å²	79	22%	0.215	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	129.4	176.3	-173.8	-103.4	0	0	0	109.3	L22 L45 E105 W106 S109	L22-F24 PolarHBondContact O-N 3.44Å; F24-L45 HydrophobicContact CB-CB 4.34Å; F24-L45 PolarHBondContact N-O 3.36Å; F24-L45 PolarHBondContact O-N 3.46Å; F24-E105 HydrophobicContact CE2-CG 4.26Å; F24-E105 HydrophobicContact CZ-CG 3.83Å; F24-W106 HydrophobicContact CD1-CD2 4.32Å; F24-W106 HydrophobicContact CD1-CE3 4Å; F24-W106 AromaticContact CD1-CH2 3.99Å; F24-W106 HydrophobicContact CD1-CH2 3.99Å; F24-W106 HydrophobicContact CD1-CZ2 4.3Å; F24-W106 AromaticContact CD1-CZ3 3.83Å; F24-W106 HydrophobicContact CD1-CZ3 3.83Å; F24-W106 AromaticContact CE1-CD2 3.61Å; F24-W106 HydrophobicContact CE1-CD2 3.61Å; F24-W106 AromaticContact CE1-CE2 3.7Å; F24-W106 AromaticContact CE1-CE3 3.74Å; F24-W106 HydrophobicContact CE1-CE3 3.74Å; F24-W106 HydrophobicContact CE1-CG 4.12Å; F24-W106 HydrophobicContact CE1-CH2 4.08Å; F24-W106 AromaticContact CE1-CZ2 3.96Å; F24-W106 HydrophobicContact CE1-CZ2 3.96Å; F24-W106 AromaticContact CE1-CZ3 3.97Å; F24-W106 HydrophobicContact CE1-CZ3 3.97Å; F24-S109 WeakPolarHBondContact CD1-OG 3.32Å; F24-S109 WeakPolarHBondContact CG-OG 3.25Å
25	G	91.1	Very high	63.3	Low	32 Å²	32	74.7 Å²	74.7	33%	0.33	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	153.1	-175	0	0	0	0	0	113.2	V43	G25-V43 WeakPolarHBondContact CA-O 3.46Å
26	G	92.4	Very high	63.8	Low	14 Å²	14	71.8 Å²	71.8	14%	0.144	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.5	177.1	-174.8	0	0	0	0	0	112.1	V43	G26-V43 PolarHBondContact N-O 3.25Å; G26-V43 PolarHBondContact O-N 2.87Å
27	V	91.8	Very high	64.9	Low	87 Å²	87	67 Å²	67	53%	0.527	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	131.2	173.6	-179.4	0	0	0	0	109.7	D40 R41 W42	V27-D40 HydrophobicContact CG1-CB 3.77Å; V27-R41 WeakPolarHBondContact CA-O 3.36Å; V27-W42 HydrophobicContact CG2-CE3 3.88Å; V27-W42 HydrophobicContact CG2-CZ3 4.22Å
28	L	92.8	Very high	66.8	Low	1 Å²	1	62.2 Å²	62.2	1%	0.005	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	139.6	163.7	-71.8	176.1	0	0	0	109.2	K30 R41 V43 F84 L95 A97 W106	L28-K30 PolarHBondContact O-N 2.84Å; L28-R41 PolarHBondContact N-O 3Å; L28-R41 PolarHBondContact O-N 3.5Å; L28-V43 HydrophobicContact CB-CG2 3.94Å; L28-V43 HydrophobicContact CD1-CB 4.21Å; L28-V43 HydrophobicContact CD1-CG1 4.33Å; L28-V43 HydrophobicContact CD1-CG2 4.1Å; L28-V43 HydrophobicContact CG-CG2 4.34Å; L28-F84 HydrophobicContact CD1-CE1 4.21Å; L28-F84 HydrophobicContact CD1-CZ 3.78Å; L28-F84 HydrophobicContact CD2-CE1 4.27Å; L28-L95 HydrophobicContact CB-CD2 4.48Å; L28-L95 HydrophobicContact CD1-CB 4.36Å; L28-L95 HydrophobicContact CD1-CD1 4.08Å; L28-L95 HydrophobicContact CD1-CD2 4.38Å; L28-A97 HydrophobicContact CD2-CB 3.93Å; L28-W106 HydrophobicContact CD1-CD2 3.76Å; L28-W106 HydrophobicContact CD1-CE3 4.09Å; L28-W106 HydrophobicContact CD1-CG 4.19Å; L28-W106 HydrophobicContact CD1-CH2 4.42Å; L28-W106 HydrophobicContact CD1-CZ2 4.1Å; L28-W106 HydrophobicContact CD1-CZ3 4.42Å; L28-W106 HydrophobicContact CD2-CD2 4.41Å; L28-W106 HydrophobicContact CD2-CG 4.21Å; L28-W106 HydrophobicContact CG-CD2 4.3Å; L28-W106 HydrophobicContact CG-CZ2 4.14Å
29	S	89.8	Confident	68.6	Low	28 Å²	28	59.5 Å²	59.5	20%	0.196	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	107.2	166.8	-124.6	0	0	0	0	107.6	W38 D40 R96	S29-W38 VanDerWaalsContact O-CE3 3.25Å; S29-W38 WeakPolarHBondContact O-CZ3 3.41Å; S29-D40 WeakPolarHBondContact CB-OD1 3.39Å; S29-D40 PolarHBondContact OG-OD1 2.94Å; S29-R96 PolarHBondContact N-O 3.43Å; S29-R96 PolarHBondContact O-N 2.87Å
30	K	88.3	Confident	71.1	Confident	16 Å²	16	60.9 Å²	60.9	7%	0.07	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	135.5	178.6	176.7	174.9	-173.5	-59.2	0	109.7	L28 T32 Q39 R41 Y52 L95	L28-K30 PolarHBondContact O-N 2.84Å; K30-T32 PolarHBondContact O-N 3.11Å; K30-Q39 PolarHBondContact N-O 3.17Å; K30-Q39 PolarHBondContact O-N 3.2Å; K30-R41 HydrophobicContact CB-CB 4.38Å; K30-R41 HydrophobicContact CB-CG 4.04Å; K30-Y52 HydrophobicContact CD-CD1 4.07Å; K30-Y52 HydrophobicContact CD-CD2 4.16Å; K30-Y52 HydrophobicContact CD-CE1 4.05Å; K30-Y52 HydrophobicContact CD-CE2 4.12Å; K30-Y52 HydrophobicContact CD-CG 4.14Å; K30-L95 HydrophobicContact CB-CD2 3.7Å; K30-L95 HydrophobicContact CD-CD2 4.18Å; K30-L95 HydrophobicContact CG-CD2 3.78Å
31	W	77.8	Confident	73.5	Confident	46 Å²	46	54 Å²	54	17%	0.174	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	125	165.3	-170.9	-94.6	0	0	0	109.7	N33 Y34 G37 W38 Y94	W31-N33 WeakPolarHBondContact CZ2-O 3.14Å; W31-Y34 AromaticContact CE2-CE2 3.84Å; W31-Y34 AromaticContact CE2-CZ 3.8Å; W31-Y34 HydrophobicContact CH2-CD1 4.46Å; W31-Y34 HydrophobicContact CH2-CE1 4.02Å; W31-Y34 AromaticContact CZ2-CD1 3.82Å; W31-Y34 HydrophobicContact CZ2-CD1 3.82Å; W31-Y34 HydrophobicContact CZ2-CD2 4.03Å; W31-Y34 AromaticContact CZ2-CE1 3.41Å; W31-Y34 HydrophobicContact CZ2-CE1 3.41Å; W31-Y34 VanDerWaalsContact CZ2-CE1 3.41Å; W31-Y34 AromaticContact CZ2-CE2 3.64Å; W31-Y34 HydrophobicContact CZ2-CE2 3.64Å; W31-Y34 HydrophobicContact CZ2-CG 4.08Å; W31-Y34 AromaticContact CZ2-CZ 3.31Å; W31-Y34 AromaticContact NE1-CE2 3.48Å; W31-Y34 AromaticContact NE1-CZ 3.88Å; W31-G37 VanDerWaalsContact CE3-C 3.44Å; W31-G37 VanDerWaalsContact CZ3-CA 3.45Å; W31-W38 HydrophobicContact CB-CD2 4.45Å; W31-W38 HydrophobicContact CB-CE3 4.16Å; W31-W38 HydrophobicContact CB-CH2 4.29Å; W31-W38 HydrophobicContact CB-CZ3 4.08Å; W31-W38 AromaticContact CE3-CD1 3.62Å; W31-W38 AromaticContact CE3-CD2 3.88Å; W31-W38 HydrophobicContact CE3-CD2 3.88Å; W31-W38 AromaticContact CE3-CE2 3.69Å; W31-W38 AromaticContact CE3-CG 3.82Å; W31-W38 HydrophobicContact CE3-CG 3.82Å; W31-W38 HydrophobicContact CE3-CZ2 4.34Å; W31-W38 AromaticContact CE3-NE1 3.52Å; W31-W38 AromaticContact CZ3-CD1 3.65Å; W31-W38 HydrophobicContact CZ3-CG 4.24Å; W31-W38 AromaticContact CZ3-NE1 3.7Å; W31-Y94 HydrophobicContact CB-CD2 4.04Å; W31-Y94 HydrophobicContact CB-CG 4.37Å; W31-Y94 HydrophobicContact CG-CD2 4.25Å; W31-Y94 PolarHBondContact N-O 2.75Å
32	T	67.1	Low	75.4	Confident	30 Å²	30	52 Å²	52	18%	0.184	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-56.8	-179	48.4	0	0	0	0	112.2	K30 H36 G37 Q39	K30-T32 PolarHBondContact O-N 3.11Å; T32-H36 WeakPolarHBondContact OG1-CB 3.29Å; T32-G37 PolarHBondContact N-O 3.24Å; T32-G37 PolarHBondContact OG1-O 3.5Å; T32-Q39 HydrophobicContact CG2-CB 4.07Å; T32-Q39 HydrophobicContact CG2-CG 4.34Å; T32-Q39 WeakPolarHBondContact OG1-CG 3.46Å
33	N	53.3	Low	77	Confident	34 Å²	34	44.5 Å²	44.5	18%	0.182	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	-175.7	174	63.3	22.4	0	0	0	109.7	W31 I35 H36 G37	W31-N33 WeakPolarHBondContact CZ2-O 3.14Å; N33-I35 VanDerWaalsContact C-N 3.26Å; N33-I35 PolarHBondContact O-N 2.76Å; N33-I35 PolarHBondContact OD1-N 3.34Å; N33-H36 PolarHBondContact OD1-CD2 3.13Å; N33-H36 PolarHBondContact OD1-N 3.18Å; N33-G37 WeakPolarHBondContact O-CA 3.14Å; N33-G37 PolarHBondContact O-N 3.21Å
34	Y	36.7	Very low	77.6	Confident	61 Å²	61	41.4 Å²	41.4	24%	0.239	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-9.4	-177.4	-81.7	-87.6	0	0	0	115.5	W31 P306 D307	W31-Y34 AromaticContact CE2-CE2 3.84Å; W31-Y34 AromaticContact CE2-CZ 3.8Å; W31-Y34 HydrophobicContact CH2-CD1 4.46Å; W31-Y34 HydrophobicContact CH2-CE1 4.02Å; W31-Y34 AromaticContact CZ2-CD1 3.82Å; W31-Y34 HydrophobicContact CZ2-CD1 3.82Å; W31-Y34 HydrophobicContact CZ2-CD2 4.03Å; W31-Y34 AromaticContact CZ2-CE1 3.41Å; W31-Y34 HydrophobicContact CZ2-CE1 3.41Å; W31-Y34 VanDerWaalsContact CZ2-CE1 3.41Å; W31-Y34 AromaticContact CZ2-CE2 3.64Å; W31-Y34 HydrophobicContact CZ2-CE2 3.64Å; W31-Y34 HydrophobicContact CZ2-CG 4.08Å; W31-Y34 AromaticContact CZ2-CZ 3.31Å; W31-Y34 AromaticContact NE1-CE2 3.48Å; W31-Y34 AromaticContact NE1-CZ 3.88Å; Y34-P306 HydrophobicContact CD2-CB 3.68Å; Y34-P306 HydrophobicContact CD2-CG 4.21Å; Y34-P306 HydrophobicContact CE2-CB 3.37Å; Y34-P306 HydrophobicContact CE2-CG 3.55Å; Y34-P306 WeakPolarHBondContact OH-CD 3.41Å; Y34-P306 VanDerWaalsContact OH-N 3.15Å; Y34-D307 WeakPolarHBondContact CD1-OD1 3.05Å; Y34-D307 HydrophobicContact CE1-CB 3.96Å; Y34-D307 WeakPolarHBondContact CE1-OD1 3.37Å; Y34-D307 WeakPolarHBondContact CE1-OD2 3.43Å
35	I	39.2	Very low	77.7	Confident	50 Å²	50	39 Å²	39	26%	0.256	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-32.4	-176.1	-59.2	164.3	0	0	0	110.4	N33 A324 E328	N33-I35 VanDerWaalsContact C-N 3.26Å; N33-I35 PolarHBondContact O-N 2.76Å; N33-I35 PolarHBondContact OD1-N 3.34Å; I35-A324 HydrophobicContact CD1-CB 3.88Å; I35-A324 VanDerWaalsContact CD1-O 3.26Å; I35-A324 WeakPolarHBondContact CD1-O 3.18Å; I35-E328 HydrophobicContact CD1-CB 4.22Å
36	H	42.8	Very low	77.5	Confident	80 Å²	80	41.9 Å²	41.9	37%	0.37	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-20.4	177.4	-53.2	-37.6	0	0	0	113.4	T32 N33 Q39	T32-H36 WeakPolarHBondContact OG1-CB 3.29Å; N33-H36 PolarHBondContact OD1-CD2 3.13Å; N33-H36 PolarHBondContact OD1-N 3.18Å; H36-Q39 HydrophobicContact CB-CG 3.71Å; H36-Q39 PolarHBondContact O-NE2 2.84Å
37	G	66.8	Low	76.9	Confident	12 Å²	12	46.2 Å²	46.2	12%	0.124	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	61.6	-135.1	-179	0	0	0	0	0	113.6	W31 T32 N33	W31-G37 VanDerWaalsContact CE3-C 3.44Å; W31-G37 VanDerWaalsContact CZ3-CA 3.45Å; T32-G37 PolarHBondContact N-O 3.24Å; T32-G37 PolarHBondContact OG1-O 3.5Å; N33-G37 WeakPolarHBondContact O-CA 3.14Å; N33-G37 PolarHBondContact O-N 3.21Å
38	W	81.1	Confident	76.5	Confident	80 Å²	80	43.3 Å²	43.3	30%	0.303	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	131.4	167.7	-64.9	101.8	0	0	0	110.1	S29 W31 R83 Y94 R96	S29-W38 VanDerWaalsContact O-CE3 3.25Å; S29-W38 WeakPolarHBondContact O-CZ3 3.41Å; W31-W38 HydrophobicContact CB-CD2 4.45Å; W31-W38 HydrophobicContact CB-CE3 4.16Å; W31-W38 HydrophobicContact CB-CH2 4.29Å; W31-W38 HydrophobicContact CB-CZ3 4.08Å; W31-W38 AromaticContact CE3-CD1 3.62Å; W31-W38 AromaticContact CE3-CD2 3.88Å; W31-W38 HydrophobicContact CE3-CD2 3.88Å; W31-W38 AromaticContact CE3-CE2 3.69Å; W31-W38 AromaticContact CE3-CG 3.82Å; W31-W38 HydrophobicContact CE3-CG 3.82Å; W31-W38 HydrophobicContact CE3-CZ2 4.34Å; W31-W38 AromaticContact CE3-NE1 3.52Å; W31-W38 AromaticContact CZ3-CD1 3.65Å; W31-W38 HydrophobicContact CZ3-CG 4.24Å; W31-W38 AromaticContact CZ3-NE1 3.7Å; W38-R83 HydrophobicContact CH2-CG 4.09Å; W38-Y94 WeakPolarHBondContact CZ3-O 3.37Å; W38-R96 HydrophobicContact CE3-CB 3.98Å; W38-R96 HydrophobicContact CH2-CB 4.28Å; W38-R96 HydrophobicContact CZ3-CB 3.77Å
39	Q	78.3	Confident	76.2	Confident	67 Å²	67	45.2 Å²	45.2	31%	0.313	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	129.9	-175.2	-73.3	-71.6	-61.4	0	0	109.9	K30 T32 H36 R41	K30-Q39 PolarHBondContact N-O 3.17Å; K30-Q39 PolarHBondContact O-N 3.2Å; T32-Q39 HydrophobicContact CG2-CB 4.07Å; T32-Q39 HydrophobicContact CG2-CG 4.34Å; T32-Q39 WeakPolarHBondContact OG1-CG 3.46Å; H36-Q39 HydrophobicContact CB-CG 3.71Å; H36-Q39 PolarHBondContact O-NE2 2.84Å; Q39-R41 PolarHBondContact O-N 2.73Å
40	D	88.6	Confident	76.3	Confident	100 Å²	100	43.9 Å²	43.9	54%	0.535	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	128	177.4	-61.8	-28.9	0	0	0	110.7	V27 S29	V27-D40 HydrophobicContact CG1-CB 3.77Å; S29-D40 WeakPolarHBondContact CB-OD1 3.39Å; S29-D40 PolarHBondContact OG-OD1 2.94Å
41	R	88.1	Confident	76.4	Confident	38 Å²	38	44 Å²	44	14%	0.143	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	140.2	179.4	-64	-62.5	173.2	-105.9	0.5	108.7	V27 L28 K30 Q39 V43 Y52 Y53	V27-R41 WeakPolarHBondContact CA-O 3.36Å; L28-R41 PolarHBondContact N-O 3Å; L28-R41 PolarHBondContact O-N 3.5Å; K30-R41 HydrophobicContact CB-CB 4.38Å; K30-R41 HydrophobicContact CB-CG 4.04Å; Q39-R41 PolarHBondContact O-N 2.73Å; R41-V43 PolarHBondContact O-N 2.8Å; R41-Y52 HydrophobicContact CB-CD2 3.98Å; R41-Y52 HydrophobicContact CG-CD2 3.81Å; R41-Y52 HydrophobicContact CG-CE2 4.25Å; R41-Y53 WeakPolarHBondContact CA-O 3.42Å; R41-Y53 WeakPolarHBondContact CB-O 3.39Å; R41-Y53 VanDerWaalsContact CD-O 3.3Å; R41-Y53 WeakPolarHBondContact CD-O 3.32Å
42	W	89.4	Confident	76.8	Confident	38 Å²	38	43.5 Å²	43.5	14%	0.144	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	114.8	169	-175.8	-100.9	0	0	0	108.1	V27 V44 Y52 Y53 E56	V27-W42 HydrophobicContact CG2-CE3 3.88Å; V27-W42 HydrophobicContact CG2-CZ3 4.22Å; W42-V44 VanDerWaalsContact NE1-CG2 3.26Å; W42-Y52 CarbonylContact O-C 3.54Å; W42-Y52 WeakPolarHBondContact O-CA 3.21Å; W42-Y53 PolarHBondContact N-O 2.74Å; W42-Y53 VanDerWaalsContact N-O 3.14Å; W42-Y53 PolarHBondContact O-N 2.99Å; W42-E56 HydrophobicContact CD2-CB 3.77Å; W42-E56 HydrophobicContact CD2-CG 3.99Å; W42-E56 HydrophobicContact CE3-CB 3.97Å; W42-E56 HydrophobicContact CE3-CG 4.38Å; W42-E56 HydrophobicContact CG-CB 4Å; W42-E56 HydrophobicContact CG-CG 4.42Å; W42-E56 HydrophobicContact CH2-CG 4.4Å; W42-E56 HydrophobicContact CZ2-CG 4.05Å; W42-E56 HydrophobicContact CZ3-CB 4.46Å
43	V	92.5	Very high	77.5	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	138.2	-179.5	-178.7	0	0	0	0	108.6	G25 G26 L28 R41 L50 S51 W106	G25-V43 WeakPolarHBondContact CA-O 3.46Å; G26-V43 PolarHBondContact N-O 3.25Å; G26-V43 PolarHBondContact O-N 2.87Å; L28-V43 HydrophobicContact CB-CG2 3.94Å; L28-V43 HydrophobicContact CD1-CB 4.21Å; L28-V43 HydrophobicContact CD1-CG1 4.33Å; L28-V43 HydrophobicContact CD1-CG2 4.1Å; L28-V43 HydrophobicContact CG-CG2 4.34Å; R41-V43 PolarHBondContact O-N 2.8Å; V43-L50 HydrophobicContact CG1-CD1 3.54Å; V43-L50 HydrophobicContact CG1-CD2 4.36Å; V43-L50 HydrophobicContact CG1-CG 3.88Å; V43-S51 WeakPolarHBondContact CA-O 3.49Å; V43-W106 HydrophobicContact CB-CH2 3.87Å; V43-W106 HydrophobicContact CB-CZ2 4.37Å; V43-W106 HydrophobicContact CB-CZ3 4.46Å; V43-W106 HydrophobicContact CG1-CH2 3.76Å; V43-W106 HydrophobicContact CG1-CZ3 3.87Å
44	V	92.5	Very high	78.5	Confident	6 Å²	6	47 Å²	47	4%	0.036	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	125.5	-179.3	-179.1	0	0	0	0	109.2	E23 W42 K46 S51 Y53	E23-V44 HydrophobicContact CG-CG1 3.56Å; W42-V44 VanDerWaalsContact NE1-CG2 3.26Å; V44-K46 HydrophobicContact CG1-CB 4.39Å; V44-S51 PolarHBondContact N-O 3.26Å; V44-S51 PolarHBondContact O-N 2.83Å; V44-Y53 HydrophobicContact CB-CE2 4.27Å; V44-Y53 HydrophobicContact CG2-CD2 4.24Å; V44-Y53 HydrophobicContact CG2-CE2 3.9Å
45	L	90.9	Very high	80.5	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	116.8	171.2	175.6	54.1	0	0	0	109	F24 L50 L69 W106 I110 H113	F24-L45 HydrophobicContact CB-CB 4.34Å; F24-L45 PolarHBondContact N-O 3.36Å; F24-L45 PolarHBondContact O-N 3.46Å; L45-L50 HydrophobicContact CB-CD1 3.89Å; L45-L50 HydrophobicContact CD1-CD1 4.3Å; L45-L69 HydrophobicContact CD1-CD1 3.37Å; L45-W106 HydrophobicContact CB-CZ3 4.38Å; L45-I110 HydrophobicContact CD2-CB 4.48Å; L45-I110 HydrophobicContact CD2-CG1 3.8Å; L45-H113 HydrophobicContact CD1-CB 4.09Å; L45-H113 HydrophobicContact CD2-CB 4.24Å; L45-H113 VanDerWaalsContact CD2-ND1 3.32Å; L45-H113 WeakPolarHBondContact CD2-ND1 3.34Å; L45-H113 HydrophobicContact CG-CB 4.37Å
46	K	87.6	Confident	82.6	Confident	92 Å²	92	48.4 Å²	48.4	40%	0.4	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	136.2	-179.7	-167.6	171.2	-161.2	160.1	0	110.9	E23 V44 N48 T49	E23-K46 HydrophobicContact CG-CB 4.43Å; E23-K46 HydrophobicContact CG-CD 4.2Å; E23-K46 WeakPolarHBondContact OE2-CD 3.37Å; E23-K46 WeakPolarHBondContact OE2-CE 3.11Å; E23-K46 IonicContact OE2-NZ 3.52Å; E23-K46 PolarHBondContact OE2-NZ 3.42Å; V44-K46 HydrophobicContact CG1-CB 4.39Å; K46-N48 PolarHBondContact O-N 2.88Å; K46-T49 PolarHBondContact N-O 3.42Å; K46-T49 WeakPolarHBondContact O-CA 3.47Å; K46-T49 WeakPolarHBondContact O-CB 3.47Å; K46-T49 PolarHBondContact O-N 3.5Å
47	N	79.9	Confident	83.9	Confident	104 Å²	104	51.4 Å²	51.4	56%	0.556	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	52.8	173.3	-58.8	1.4	0	0	0	112.9	T49	N47-T49 PolarHBondContact O-N 3.19Å; N47-T49 PolarHBondContact O-OG1 2.74Å
48	N	83.8	Confident	83.7	Confident	26 Å²	26	52.7 Å²	52.7	14%	0.139	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	21.3	-178.3	170.7	77.7	0	0	0	114.1	K46 L69 S70 S117	K46-N48 PolarHBondContact O-N 2.88Å; N48-L69 WeakPolarHBondContact O-CB 3.46Å; N48-L69 PolarHBondContact O-N 3.23Å; N48-L69 WeakPolarHBondContact OD1-CB 3.32Å; N48-S70 PolarHBondContact ND2-OG 3Å; N48-S70 PolarHBondContact OD1-N 2.94Å; N48-S70 PolarHBondContact OD1-OG 3.37Å; N48-S117 PolarHBondContact OD1-OG 3.12Å
49	T	86.8	Confident	82.9	Confident	42 Å²	42	52.8 Å²	52.8	26%	0.258	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	126.8	179.8	-51.2	0	0	0	0	109.7	K46 N47 S66 L67	K46-T49 PolarHBondContact N-O 3.42Å; K46-T49 WeakPolarHBondContact O-CA 3.47Å; K46-T49 WeakPolarHBondContact O-CB 3.47Å; K46-T49 PolarHBondContact O-N 3.5Å; N47-T49 PolarHBondContact O-N 3.19Å; N47-T49 PolarHBondContact O-OG1 2.74Å; T49-S66 WeakPolarHBondContact CG2-OG 3.49Å; T49-L67 WeakPolarHBondContact CA-O 3.46Å
50	L	91.1	Very high	81.4	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	121.4	172.2	-167.6	73.2	0	0	0	108.5	V43 L45 S66 L67 L69 I86 W93 L95 W106 I110	V43-L50 HydrophobicContact CG1-CD1 3.54Å; V43-L50 HydrophobicContact CG1-CD2 4.36Å; V43-L50 HydrophobicContact CG1-CG 3.88Å; L45-L50 HydrophobicContact CB-CD1 3.89Å; L45-L50 HydrophobicContact CD1-CD1 4.3Å; L50-S66 CarbonylContact O-C 2.86Å; L50-S66 WeakPolarHBondContact O-CA 3.23Å; L50-L67 PolarHBondContact N-O 3.23Å; L50-L67 PolarHBondContact O-N 3.39Å; L50-L69 HydrophobicContact CB-CD2 4.31Å; L50-L69 HydrophobicContact CB-CG 4.47Å; L50-I86 HydrophobicContact CD2-CD1 3.36Å; L50-W93 HydrophobicContact CB-CZ3 4.42Å; L50-W93 HydrophobicContact CD2-CE3 4.09Å; L50-W93 HydrophobicContact CD2-CZ3 3.99Å; L50-W93 HydrophobicContact CG-CZ3 4.09Å; L50-W93 WeakPolarHBondContact O-CH2 3.35Å; L50-L95 HydrophobicContact CD2-CD1 4.26Å; L50-W106 HydrophobicContact CD1-CZ3 3.94Å; L50-I110 HydrophobicContact CD1-CD1 4.29Å; L50-I110 HydrophobicContact CD1-CG1 4.44Å; L50-I110 HydrophobicContact CD2-CD1 4.18Å
51	S	89.4	Confident	79.4	Confident	17 Å²	17	62.7 Å²	62.7	12%	0.119	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	152.4	-179.7	-55.3	0	0	0	0	110.8	V43 V44 G65 S66	V43-S51 WeakPolarHBondContact CA-O 3.49Å; V44-S51 PolarHBondContact N-O 3.26Å; V44-S51 PolarHBondContact O-N 2.83Å; S51-G65 VanDerWaalsContact CA-O 3.31Å; S51-G65 WeakPolarHBondContact CA-O 3.3Å; S51-S66 PolarHBondContact OG-OG 2.72Å
52	Y	87.8	Confident	77.5	Confident	36 Å²	36	62.6 Å²	62.6	14%	0.141	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	152	177.4	81.1	-86.5	0	0	0	113.8	K30 R41 W42 R64 G65 W93	K30-Y52 HydrophobicContact CD-CD1 4.07Å; K30-Y52 HydrophobicContact CD-CD2 4.16Å; K30-Y52 HydrophobicContact CD-CE1 4.05Å; K30-Y52 HydrophobicContact CD-CE2 4.12Å; K30-Y52 HydrophobicContact CD-CG 4.14Å; R41-Y52 HydrophobicContact CB-CD2 3.98Å; R41-Y52 HydrophobicContact CG-CD2 3.81Å; R41-Y52 HydrophobicContact CG-CE2 4.25Å; W42-Y52 CarbonylContact O-C 3.54Å; W42-Y52 WeakPolarHBondContact O-CA 3.21Å; Y52-R64 HydrophobicContact CD2-CB 4.02Å; Y52-R64 HydrophobicContact CE2-CB 3.55Å; Y52-R64 HydrophobicContact CE2-CG 4.48Å; Y52-R64 PolarHBondContact O-N 3.44Å; Y52-R64 PolarHBondContact OH-O 3.14Å; Y52-G65 PolarHBondContact N-O 2.85Å; Y52-W93 HydrophobicContact CD1-CE3 4.41Å; Y52-W93 AromaticContact CD1-CH2 3.63Å; Y52-W93 HydrophobicContact CD1-CH2 3.63Å; Y52-W93 AromaticContact CD1-CZ2 3.94Å; Y52-W93 HydrophobicContact CD1-CZ2 3.94Å; Y52-W93 AromaticContact CD1-CZ3 3.87Å; Y52-W93 HydrophobicContact CD1-CZ3 3.87Å; Y52-W93 HydrophobicContact CE1-CH2 4.18Å; Y52-W93 HydrophobicContact CE1-CZ2 4.01Å
53	Y	81.9	Confident	76.4	Confident	36 Å²	36	63.9 Å²	63.9	14%	0.141	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	163.4	-175.3	-54.9	-96.9	0	0	0	109.7	R41 W42 V44 S55 R59 G62 C63	R41-Y53 WeakPolarHBondContact CA-O 3.42Å; R41-Y53 WeakPolarHBondContact CB-O 3.39Å; R41-Y53 VanDerWaalsContact CD-O 3.3Å; R41-Y53 WeakPolarHBondContact CD-O 3.32Å; W42-Y53 PolarHBondContact N-O 2.74Å; W42-Y53 VanDerWaalsContact N-O 3.14Å; W42-Y53 PolarHBondContact O-N 2.99Å; V44-Y53 HydrophobicContact CB-CE2 4.27Å; V44-Y53 HydrophobicContact CG2-CD2 4.24Å; V44-Y53 HydrophobicContact CG2-CE2 3.9Å; Y53-S55 WeakPolarHBondContact CB-O 3.47Å; Y53-R59 HydrophobicContact CD1-CB 4.33Å; Y53-R59 HydrophobicContact CD1-CG 4Å; Y53-R59 HydrophobicContact CD2-CG 4.15Å; Y53-R59 HydrophobicContact CE1-CB 4.35Å; Y53-R59 HydrophobicContact CE1-CG 4.2Å; Y53-R59 HydrophobicContact CE2-CG 4.37Å; Y53-R59 HydrophobicContact CG-CG 3.97Å; Y53-G62 WeakPolarHBondContact CD1-O 3.28Å; Y53-C63 HydrophobicContact CD1-CB 4.25Å; Y53-C63 HydrophobicContact CE1-CB 3.73Å
54	K	73.8	Confident	75.5	Confident	101 Å²	101	70.5 Å²	70.5	44%	0.439	34%	0.341	S	S	.	.	S	Bend	trans	-72.6	-35.2	179.8	172.6	165.7	165.4	-70.5	0	112.6	E58	K54-E58 WeakPolarHBondContact CB-OE2 3.48Å; K54-E58 WeakPolarHBondContact CD-OE1 3.31Å; K54-E58 WeakPolarHBondContact CD-OE2 3.48Å; K54-E58 IonicContact NZ-OE1 3.53Å; K54-E58 PolarHBondContact NZ-OE1 2.84Å
55	S	78.3	Confident	74.7	Confident	36 Å²	36	71.1 Å²	71.1	25%	0.252	35%	0.349	S	S	.	.	S	Bend	trans	-149.6	175.9	167.9	64.7	0	0	0	0	109.1	Y53 E58	Y53-S55 WeakPolarHBondContact CB-O 3.47Å; S55-E58 PolarHBondContact O-N 3.44Å; S55-E58 PolarHBondContact OG-N 3.21Å
56	E	82.8	Confident	74.3	Confident	106 Å²	106	74.4 Å²	74.4	50%	0.495	37%	0.372	S	S	.	.	S	Bend	trans	-65.9	-40.9	172	-170.9	173.6	-166.1	0	0	111.3	W42 E58 R59	W42-E56 HydrophobicContact CD2-CB 3.77Å; W42-E56 HydrophobicContact CD2-CG 3.99Å; W42-E56 HydrophobicContact CE3-CB 3.97Å; W42-E56 HydrophobicContact CE3-CG 4.38Å; W42-E56 HydrophobicContact CG-CB 4Å; W42-E56 HydrophobicContact CG-CG 4.42Å; W42-E56 HydrophobicContact CH2-CG 4.4Å; W42-E56 HydrophobicContact CZ2-CG 4.05Å; W42-E56 HydrophobicContact CZ3-CB 4.46Å; E56-E58 VanDerWaalsContact C-N 3.27Å; E56-E58 PolarHBondContact O-N 3.4Å; E56-R59 WeakPolarHBondContact O-CB 3.44Å; E56-R59 WeakPolarHBondContact O-CD 3.4Å; E56-R59 WeakPolarHBondContact O-CG 3.48Å; E56-R59 PolarHBondContact O-N 3.25Å
57	D	71.6	Confident	74.2	Confident	142 Å²	142	70.5 Å²	70.5	76%	0.759	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-64.1	-29.9	177.4	-42.1	-83.9	0	0	0	112.9	R59	D57-R59 PolarHBondContact O-N 3.33Å
58	E	62.1	Low	74.5	Confident	39 Å²	39	68.7 Å²	68.7	18%	0.182	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-78.4	4.4	-179.8	-87.9	-174.4	-131.8	0	0	114.3	K54 S55 E56 E60 Y61 R64	K54-E58 WeakPolarHBondContact CB-OE2 3.48Å; K54-E58 WeakPolarHBondContact CD-OE1 3.31Å; K54-E58 WeakPolarHBondContact CD-OE2 3.48Å; K54-E58 IonicContact NZ-OE1 3.53Å; K54-E58 PolarHBondContact NZ-OE1 2.84Å; S55-E58 PolarHBondContact O-N 3.44Å; S55-E58 PolarHBondContact OG-N 3.21Å; E56-E58 VanDerWaalsContact C-N 3.27Å; E56-E58 PolarHBondContact O-N 3.4Å; E58-E60 PolarHBondContact O-N 3.28Å; E58-Y61 HydrophobicContact CB-CD2 4.44Å; E58-Y61 HydrophobicContact CG-CD2 4.14Å; E58-Y61 PolarHBondContact O-N 2.92Å; E58-R64 IonicContact OE2-CZ 3.54Å; E58-R64 IonicContact OE2-NH2 3.46Å; E58-R64 PolarHBondContact OE2-NH2 2.89Å
59	R	63.3	Low	74.7	Confident	82 Å²	82	67.4 Å²	67.4	31%	0.309	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-56.7	-31.5	179.3	-76.8	176.9	70.5	153.1	10.2	113.9	E23 Y53 E56 D57 Y61 G62	E23-R59 IonicContact OE1-CZ 2.78Å; E23-R59 VanDerWaalsContact OE1-CZ 3.22Å; E23-R59 IonicContact OE1-NH1 2.72Å; E23-R59 PolarHBondContact OE1-NH1 3.43Å; E23-R59 IonicContact OE1-NH2 3.8Å; E23-R59 PolarHBondContact OE1-NH2 2.88Å; E23-R59 IonicContact OE2-NH2 3.42Å; Y53-R59 HydrophobicContact CD1-CB 4.33Å; Y53-R59 HydrophobicContact CD1-CG 4Å; Y53-R59 HydrophobicContact CD2-CG 4.15Å; Y53-R59 HydrophobicContact CE1-CB 4.35Å; Y53-R59 HydrophobicContact CE1-CG 4.2Å; Y53-R59 HydrophobicContact CE2-CG 4.37Å; Y53-R59 HydrophobicContact CG-CG 3.97Å; E56-R59 WeakPolarHBondContact O-CB 3.44Å; E56-R59 WeakPolarHBondContact O-CD 3.4Å; E56-R59 WeakPolarHBondContact O-CG 3.48Å; E56-R59 PolarHBondContact O-N 3.25Å; D57-R59 PolarHBondContact O-N 3.33Å; R59-Y61 VanDerWaalsContact C-N 3.28Å; R59-Y61 PolarHBondContact O-N 3.48Å; R59-G62 PolarHBondContact O-N 3.38Å
60	E	46.8	Very low	74.4	Confident	182 Å²	182	68.5 Å²	68.5	85%	0.85	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-70.3	-21.4	178.7	-61.1	-166	160.8	0	0	113.6	E58 G62	E58-E60 PolarHBondContact O-N 3.28Å; E60-G62 VanDerWaalsContact C-N 3.32Å
61	Y	47.4	Very low	73.9	Confident	194 Å²	194	75.9 Å²	75.9	76%	0.761	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-87.5	3.2	179.5	-62.3	-80.8	0	0	0	113.9	E58 R59	E58-Y61 HydrophobicContact CB-CD2 4.44Å; E58-Y61 HydrophobicContact CG-CD2 4.14Å; E58-Y61 PolarHBondContact O-N 2.92Å; R59-Y61 VanDerWaalsContact C-N 3.28Å; R59-Y61 PolarHBondContact O-N 3.48Å
62	G	47.5	Very low	73.8	Confident	36 Å²	36	75.1 Å²	75.1	37%	0.371	38%	0.38	S	S	.	.			trans	95.2	158.5	177.9	0	0	0	0	0	114.4	Y53 R59 E60	Y53-G62 WeakPolarHBondContact CD1-O 3.28Å; R59-G62 PolarHBondContact O-N 3.38Å; E60-G62 VanDerWaalsContact C-N 3.32Å
63	C	67.3	Low	73.7	Confident	64 Å²	64	77.4 Å²	77.4	43%	0.432	40%	0.397	S	S	.	.			trans	-73.7	141.4	179.5	57.2	0	0	0	0	111.8	Y53 G65	Y53-C63 HydrophobicContact CD1-CB 4.25Å; Y53-C63 HydrophobicContact CE1-CB 3.73Å; C63-G65 VanDerWaalsContact C-N 3.34Å
64	R	72	Confident	74.3	Confident	140 Å²	140	76.6 Å²	76.6	53%	0.528	40%	0.395	S	S	.	.	S	Bend	trans	-81.4	-14.9	175.1	-58.3	-57.9	-173.1	113.8	3	113.1	Y52 E58	Y52-R64 HydrophobicContact CD2-CB 4.02Å; Y52-R64 HydrophobicContact CE2-CB 3.55Å; Y52-R64 HydrophobicContact CE2-CG 4.48Å; Y52-R64 PolarHBondContact O-N 3.44Å; Y52-R64 PolarHBondContact OH-O 3.14Å; E58-R64 IonicContact OE2-CZ 3.54Å; E58-R64 IonicContact OE2-NH2 3.46Å; E58-R64 PolarHBondContact OE2-NH2 2.89Å
65	G	75.7	Confident	75.1	Confident	19 Å²	19	75.1 Å²	75.1	20%	0.196	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.1	157.1	170.8	0	0	0	0	0	111	S51 Y52 C63	S51-G65 VanDerWaalsContact CA-O 3.31Å; S51-G65 WeakPolarHBondContact CA-O 3.3Å; Y52-G65 PolarHBondContact N-O 2.85Å; C63-G65 VanDerWaalsContact C-N 3.34Å
66	S	83.7	Confident	75.7	Confident	68 Å²	68	76.5 Å²	76.5	48%	0.476	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	139.1	-176	-163.4	0	0	0	0	110	T49 L50 S51	T49-S66 WeakPolarHBondContact CG2-OG 3.49Å; L50-S66 CarbonylContact O-C 2.86Å; L50-S66 WeakPolarHBondContact O-CA 3.23Å; S51-S66 PolarHBondContact OG-OG 2.72Å
67	L	85.2	Confident	75.9	Confident	10 Å²	10	74 Å²	74	5%	0.052	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	123.5	-171.1	177.4	153	0	0	0	109.8	T49 L50 L69 I86 V88 W93	T49-L67 WeakPolarHBondContact CA-O 3.46Å; L50-L67 PolarHBondContact N-O 3.23Å; L50-L67 PolarHBondContact O-N 3.39Å; L67-L69 HydrophobicContact CD2-CD2 3.64Å; L67-L69 HydrophobicContact CD2-CG 4.44Å; L67-I86 HydrophobicContact CD1-CG2 4.23Å; L67-I86 HydrophobicContact CD2-CG2 3.92Å; L67-V88 HydrophobicContact CD1-CB 4.26Å; L67-V88 HydrophobicContact CD1-CG2 4.07Å; L67-V88 HydrophobicContact CD2-CG2 3.59Å; L67-V88 HydrophobicContact CG-CB 4.19Å; L67-V88 HydrophobicContact CG-CG2 3.8Å; L67-W93 HydrophobicContact CB-CH2 3.7Å; L67-W93 HydrophobicContact CB-CZ2 3.64Å; L67-W93 HydrophobicContact CB-CZ3 4.19Å; L67-W93 HydrophobicContact CD1-CD2 3.99Å; L67-W93 HydrophobicContact CD1-CE3 4.5Å; L67-W93 HydrophobicContact CD1-CG 4.17Å; L67-W93 HydrophobicContact CD1-CZ2 4.39Å
68	C	87.3	Confident	76.2	Confident	66 Å²	66	75 Å²	75	45%	0.446	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	125.3	-179.6	177.6	0	0	0	0	111	S70	C68-S70 PolarHBondContact O-N 3.28Å
69	L	86.5	Confident	76.6	Confident	0 Å²	0	80.7 Å²	80.7	0%	0	42%	0.415	C	S	.	.	G	3₁₀ helix	trans	-82.9	-9.9	-167.5	-67	173	0	0	0	115.2	L45 N48 L50 L67 K71 A72 I110 K114	L45-L69 HydrophobicContact CD1-CD1 3.37Å; N48-L69 WeakPolarHBondContact O-CB 3.46Å; N48-L69 PolarHBondContact O-N 3.23Å; N48-L69 WeakPolarHBondContact OD1-CB 3.32Å; L50-L69 HydrophobicContact CB-CD2 4.31Å; L50-L69 HydrophobicContact CB-CG 4.47Å; L67-L69 HydrophobicContact CD2-CD2 3.64Å; L67-L69 HydrophobicContact CD2-CG 4.44Å; L69-K71 PolarHBondContact O-N 3.15Å; L69-A72 HydrophobicContact CB-CB 4.34Å; L69-A72 HydrophobicContact CD2-CB 3.67Å; L69-A72 WeakPolarHBondContact O-CB 3.33Å; L69-A72 PolarHBondContact O-N 3.08Å; L69-I110 HydrophobicContact CD1-CG2 3.99Å; L69-I110 HydrophobicContact CD2-CG2 3.78Å; L69-K114 HydrophobicContact CB-CB 4.29Å
70	S	80.4	Confident	77.7	Confident	65 Å²	65	78.4 Å²	78.4	46%	0.455	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-60.1	-9.6	-177.4	-59.2	0	0	0	0	115.5	N48 C68	N48-S70 PolarHBondContact ND2-OG 3Å; N48-S70 PolarHBondContact OD1-N 2.94Å; N48-S70 PolarHBondContact OD1-OG 3.37Å; C68-S70 PolarHBondContact O-N 3.28Å
71	K	81	Confident	79.6	Confident	154 Å²	154	76.4 Å²	76.4	67%	0.67	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-133.4	17.4	170.7	-65	-174.1	-179.3	177	0	113.2	L69 V73	L69-K71 PolarHBondContact O-N 3.15Å; K71-V73 PolarHBondContact O-N 3.15Å
72	A	86.6	Confident	81.6	Confident	2 Å²	2	68 Å²	68	2%	0.017	37%	0.37	C	S	.	.			trans	-71	128.4	-177.7	0	0	0	0	0	111.7	L69 I74 I86 S87 V88 K114	L69-A72 HydrophobicContact CB-CB 4.34Å; L69-A72 HydrophobicContact CD2-CB 3.67Å; L69-A72 WeakPolarHBondContact O-CB 3.33Å; L69-A72 PolarHBondContact O-N 3.08Å; A72-I74 HydrophobicContact CB-CD1 3.9Å; A72-I86 HydrophobicContact CB-CG2 3.99Å; A72-S87 WeakPolarHBondContact CA-O 3.42Å; A72-V88 HydrophobicContact CB-CG2 3.72Å; A72-K114 WeakPolarHBondContact O-CE 3.33Å; A72-K114 PolarHBondContact O-NZ 3.33Å
73	V	87.3	Confident	83.7	Confident	84 Å²	84	68.7 Å²	68.7	51%	0.509	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	114.2	165.1	-179	0	0	0	0	107.1	K71 S87	K71-V73 PolarHBondContact O-N 3.15Å; V73-S87 PolarHBondContact N-O 2.86Å; V73-S87 PolarHBondContact O-N 2.75Å
74	I	92.8	Very high	84.9	Confident	19 Å²	19	65.6 Å²	65.6	10%	0.097	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	124.2	176.6	-62.3	89.9	0	0	0	107.9	A72 F84 D85 I86 I107 I110 E111 K114	A72-I74 HydrophobicContact CB-CD1 3.9Å; I74-F84 HydrophobicContact CG2-CD2 4.17Å; I74-D85 WeakPolarHBondContact CA-O 3.43Å; I74-I86 HydrophobicContact CG1-CG1 4.19Å; I74-I86 HydrophobicContact CG1-CG2 4.4Å; I74-I107 HydrophobicContact CG2-CG1 4.1Å; I74-I107 HydrophobicContact CG2-CG2 4.19Å; I74-I110 HydrophobicContact CD1-CG2 3.62Å; I74-I110 HydrophobicContact CG1-CG2 3.78Å; I74-E111 HydrophobicContact CD1-CG 4.34Å; I74-E111 VanDerWaalsContact CD1-OE1 3.31Å; I74-E111 WeakPolarHBondContact CD1-OE1 3.38Å; I74-K114 HydrophobicContact CD1-CD 4.24Å
75	T	91.8	Very high	85.9	Confident	69 Å²	69	60 Å²	60	42%	0.423	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	103.9	-174.7	-51.5	0	0	0	0	109.2	D85	T75-D85 PolarHBondContact N-O 3.29Å; T75-D85 PolarHBondContact O-N 3.25Å
76	P	90.5	Very high	86.7	Confident	65 Å²	65	59.1 Å²	59.1	42%	0.422	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	138.6	170.6	-19.7	32.3	0	0	0	110.4	I107	P76-I107 HydrophobicContact CB-CD1 4.44Å; P76-I107 HydrophobicContact CG-CD1 4.14Å
77	H	87.3	Confident	86.9	Confident	54 Å²	54	57.5 Å²	57.5	25%	0.25	30%	0.3	C	S	.	.			trans	-75.9	131.2	-177.3	-169.7	-104.3	0	0	0	111.6	F79 D80 R83	H77-F79 PolarHBondContact O-N 3.27Å; H77-F79 VanDerWaalsContact O-N 3.12Å; H77-D80 HydrophobicContact CB-CB 4.38Å; H77-D80 VanDerWaalsContact ND1-CB 3.3Å; H77-D80 WeakPolarHBondContact ND1-CB 3.19Å; H77-D80 PolarHBondContact ND1-N 2.85Å; H77-D80 VanDerWaalsContact ND1-N 3.13Å; H77-R83 HydrophobicContact CB-CB 3.83Å; H77-R83 HydrophobicContact CB-CG 3.84Å; H77-R83 WeakPolarHBondContact CB-O 3.4Å; H77-R83 VanDerWaalsContact CD2-CZ 3.47Å; H77-R83 PolarHBondContact N-O 3.02Å; H77-R83 PolarHBondContact NE2-NH1 3.16Å
78	E	78.3	Confident	86.8	Confident	164 Å²	164	58 Å²	58	77%	0.766	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-24.2	-173.2	-65.8	-172.8	161.7	0	0	114.5
79	F	69.9	Low	86.4	Confident	158 Å²	158	60.7 Å²	60.7	69%	0.693	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130	0.5	-170.9	-54.8	-74.6	0	0	0	115.1	H77	H77-F79 PolarHBondContact O-N 3.27Å; H77-F79 VanDerWaalsContact O-N 3.12Å
80	D	85.6	Confident	85.8	Confident	33 Å²	33	68.7 Å²	68.7	18%	0.176	36%	0.356	C	S	.	.			trans	-129.1	102.6	178.7	-178.6	0.5	0	0	0	108.2	H77 C82 R83 R96 R103	H77-D80 HydrophobicContact CB-CB 4.38Å; H77-D80 VanDerWaalsContact ND1-CB 3.3Å; H77-D80 WeakPolarHBondContact ND1-CB 3.19Å; H77-D80 PolarHBondContact ND1-N 2.85Å; H77-D80 VanDerWaalsContact ND1-N 3.13Å; D80-C82 PolarHBondContact O-N 2.82Å; D80-C82 VanDerWaalsContact O-N 3.08Å; D80-C82 PolarHBondContact OD1-N 3.31Å; D80-R83 HydrophobicContact CB-CB 3.86Å; D80-R83 PolarHBondContact O-N 2.97Å; D80-R83 WeakPolarHBondContact OD2-CB 3.3Å; D80-R96 IonicContact OD1-CZ 2.77Å; D80-R96 IonicContact OD1-NE 2.63Å; D80-R96 PolarHBondContact OD1-NE 2.91Å; D80-R96 IonicContact OD1-NH2 3.17Å; D80-R96 PolarHBondContact OD1-NH2 3.29Å; D80-R96 IonicContact OD2-CZ 2.96Å; D80-R96 IonicContact OD2-NE 2.66Å; D80-R96 PolarHBondContact OD2-NE 2.77Å; D80-R96 IonicContact OD2-NH2 2.74Å; D80-R96 PolarHBondContact OD2-NH2 2.64Å; D80-R103 PolarHBondContact O-NH1 3.1Å
81	E	87.6	Confident	85.4	Confident	141 Å²	141	68.6 Å²	68.6	66%	0.659	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-11.8	-173.2	-60	-176.3	164.4	0	0	112.9	P100 R103	E81-P100 HydrophobicContact CB-CB 4.12Å; E81-P100 HydrophobicContact CB-CG 3.65Å; E81-P100 VanDerWaalsContact O-CA 3.3Å; E81-P100 WeakPolarHBondContact O-CA 3.45Å; E81-P100 WeakPolarHBondContact O-CB 3.28Å; E81-R103 VanDerWaalsContact O-CD 3.23Å; E81-R103 WeakPolarHBondContact O-CD 3.5Å; E81-R103 PolarHBondContact O-NE 3.3Å; E81-R103 PolarHBondContact O-NH1 3.09Å; E81-R103 PolarHBondContact O-NH2 3.11Å
82	C	90.1	Very high	85.6	Confident	18 Å²	18	64 Å²	64	12%	0.122	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-11.3	174.2	-56.8	0	0	0	0	113.7	D80 R96 A97	D80-C82 PolarHBondContact O-N 2.82Å; D80-C82 VanDerWaalsContact O-N 3.08Å; D80-C82 PolarHBondContact OD1-N 3.31Å; C82-R96 HydrophobicContact CB-CG 3.83Å; C82-R96 WeakPolarHBondContact O-CA 3.5Å; C82-A97 PolarHBondContact O-N 2.69Å
83	R	90.4	Very high	85.7	Confident	49 Å²	49	64.8 Å²	64.8	19%	0.185	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	143.6	-172.2	178.7	-176.8	161.3	-173.9	-9.4	114.1	W38 H77 D80 D85 Y94 L95 R96 R103	W38-R83 HydrophobicContact CH2-CG 4.09Å; H77-R83 HydrophobicContact CB-CB 3.83Å; H77-R83 HydrophobicContact CB-CG 3.84Å; H77-R83 WeakPolarHBondContact CB-O 3.4Å; H77-R83 VanDerWaalsContact CD2-CZ 3.47Å; H77-R83 PolarHBondContact N-O 3.02Å; H77-R83 PolarHBondContact NE2-NH1 3.16Å; D80-R83 HydrophobicContact CB-CB 3.86Å; D80-R83 PolarHBondContact O-N 2.97Å; D80-R83 WeakPolarHBondContact OD2-CB 3.3Å; R83-D85 IonicContact CZ-OD1 3.9Å; R83-D85 IonicContact CZ-OD2 2.72Å; R83-D85 IonicContact NE-OD1 3.37Å; R83-D85 PolarHBondContact NE-OD1 2.71Å; R83-D85 IonicContact NE-OD2 3.74Å; R83-D85 IonicContact NH2-OD1 3.21Å; R83-D85 PolarHBondContact NH2-OD1 2.87Å; R83-D85 IonicContact NH2-OD2 3.48Å; R83-D85 PolarHBondContact NH2-OD2 2.78Å; R83-Y94 VanDerWaalsContact NH2-CD1 3.33Å; R83-L95 WeakPolarHBondContact CA-O 3.28Å; R83-L95 WeakPolarHBondContact CG-O 3.47Å; R83-R96 HydrophobicContact CB-CG 4.36Å; R83-R103 VanDerWaalsContact O-CD 3.29Å; R83-R103 WeakPolarHBondContact O-CD 3.44Å
84	F	93.9	Very high	85.8	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	145.6	170.9	67.1	-70	0	0	0	110.7	L28 I74 I86 L95 R103 W106 I107 I110	L28-F84 HydrophobicContact CD1-CE1 4.21Å; L28-F84 HydrophobicContact CD1-CZ 3.78Å; L28-F84 HydrophobicContact CD2-CE1 4.27Å; I74-F84 HydrophobicContact CG2-CD2 4.17Å; F84-I86 HydrophobicContact CD2-CG1 4.22Å; F84-I86 HydrophobicContact CE2-CD1 4.04Å; F84-I86 HydrophobicContact CE2-CG1 4.25Å; F84-L95 HydrophobicContact CD1-CB 4.08Å; F84-L95 HydrophobicContact CE1-CB 3.7Å; F84-L95 HydrophobicContact CE2-CB 4.2Å; F84-L95 HydrophobicContact CE2-CD1 3.84Å; F84-L95 HydrophobicContact CZ-CB 3.77Å; F84-L95 HydrophobicContact CZ-CD1 3.82Å; F84-L95 HydrophobicContact CZ-CG 4.46Å; F84-L95 PolarHBondContact N-O 3.44Å; F84-L95 PolarHBondContact O-N 3.17Å; F84-R103 HydrophobicContact CB-CG 4.33Å; F84-R103 HydrophobicContact CD1-CG 3.78Å; F84-R103 HydrophobicContact CE1-CG 4.49Å; F84-R103 HydrophobicContact CG-CG 4.35Å; F84-W106 HydrophobicContact CE1-CB 4.21Å; F84-W106 HydrophobicContact CE2-CB 4.36Å; F84-W106 HydrophobicContact CZ-CB 3.73Å; F84-W106 HydrophobicContact CZ-CG 4.23Å; F84-I107 HydrophobicContact CB-CD1 4Å; F84-I107 HydrophobicContact CB-CG1 4.1Å; F84-I107 HydrophobicContact CD2-CG1 3.98Å; F84-I107 HydrophobicContact CG-CD1 4.4Å; F84-I107 HydrophobicContact CG-CG1 4.06Å; F84-I110 HydrophobicContact CE2-CD1 3.88Å
85	D	93.3	Very high	85.8	Confident	22 Å²	22	62.8 Å²	62.8	12%	0.118	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	133.8	-174.8	-57.7	-18.4	0	0	0	109.8	I74 T75 R83 W93 Y94	I74-D85 WeakPolarHBondContact CA-O 3.43Å; T75-D85 PolarHBondContact N-O 3.29Å; T75-D85 PolarHBondContact O-N 3.25Å; R83-D85 IonicContact CZ-OD1 3.9Å; R83-D85 IonicContact CZ-OD2 2.72Å; R83-D85 IonicContact NE-OD1 3.37Å; R83-D85 PolarHBondContact NE-OD1 2.71Å; R83-D85 IonicContact NE-OD2 3.74Å; R83-D85 IonicContact NH2-OD1 3.21Å; R83-D85 PolarHBondContact NH2-OD1 2.87Å; R83-D85 IonicContact NH2-OD2 3.48Å; R83-D85 PolarHBondContact NH2-OD2 2.78Å; D85-W93 WeakPolarHBondContact CA-O 3.48Å; D85-Y94 HydrophobicContact CB-CD1 4.18Å; D85-Y94 WeakPolarHBondContact OD1-CD1 3.43Å
86	I	91.6	Very high	85.9	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	120.6	179.7	-52.2	178.1	0	0	0	108.8	L50 L67 A72 I74 F84 V92 W93 L95 I110	L50-I86 HydrophobicContact CD2-CD1 3.36Å; L67-I86 HydrophobicContact CD1-CG2 4.23Å; L67-I86 HydrophobicContact CD2-CG2 3.92Å; A72-I86 HydrophobicContact CB-CG2 3.99Å; I74-I86 HydrophobicContact CG1-CG1 4.19Å; I74-I86 HydrophobicContact CG1-CG2 4.4Å; F84-I86 HydrophobicContact CD2-CG1 4.22Å; F84-I86 HydrophobicContact CE2-CD1 4.04Å; F84-I86 HydrophobicContact CE2-CG1 4.25Å; I86-V92 CarbonylContact O-C 3.58Å; I86-V92 WeakPolarHBondContact O-CA 3.31Å; I86-W93 PolarHBondContact N-O 3.31Å; I86-W93 PolarHBondContact O-N 3.02Å; I86-L95 HydrophobicContact CD1-CD1 3.58Å; I86-L95 HydrophobicContact CG1-CD1 4.2Å; I86-I110 HydrophobicContact CD1-CD1 3.79Å
87	S	86.7	Confident	86	Confident	35 Å²	35	61 Å²	61	25%	0.245	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	134.8	174.9	59	0	0	0	0	112.9	A72 V73 S91	A72-S87 WeakPolarHBondContact CA-O 3.42Å; V73-S87 PolarHBondContact N-O 2.86Å; V73-S87 PolarHBondContact O-N 2.75Å; S87-S91 CarbonylContact C-O 3.11Å; S87-S91 WeakPolarHBondContact CA-O 3.45Å
88	V	83.9	Confident	86.2	Confident	20 Å²	20	66.7 Å²	66.7	12%	0.121	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	110.4	174.7	172	0	0	0	0	108.7	L67 A72 D90 S91	L67-V88 HydrophobicContact CD1-CB 4.26Å; L67-V88 HydrophobicContact CD1-CG2 4.07Å; L67-V88 HydrophobicContact CD2-CG2 3.59Å; L67-V88 HydrophobicContact CG-CB 4.19Å; L67-V88 HydrophobicContact CG-CG2 3.8Å; A72-V88 HydrophobicContact CB-CG2 3.72Å; V88-D90 PolarHBondContact O-N 3.07Å; V88-S91 PolarHBondContact N-O 3.23Å; V88-S91 PolarHBondContact O-N 2.89Å; V88-S91 VanDerWaalsContact O-N 3.08Å
89	N	79.2	Confident	86.8	Confident	122 Å²	122	61.2 Å²	61.2	65%	0.652	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	-123.1	-168	-42.5	-60	0	0	0	109.5
90	D	72.8	Confident	87.7	Confident	169 Å²	169	56 Å²	56	90%	0.904	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-0.6	-179.4	-45.9	-73.6	0	0	0	114	V88	V88-D90 PolarHBondContact O-N 3.07Å
91	S	73.6	Confident	88	Confident	62 Å²	62	62.1 Å²	62.1	43%	0.434	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	129.3	177.8	-165.2	0	0	0	0	111.3	S87 V88	S87-S91 CarbonylContact C-O 3.11Å; S87-S91 WeakPolarHBondContact CA-O 3.45Å; V88-S91 PolarHBondContact N-O 3.23Å; V88-S91 PolarHBondContact O-N 2.89Å; V88-S91 VanDerWaalsContact O-N 3.08Å
92	V	84.6	Confident	88.2	Confident	58 Å²	58	59.4 Å²	59.4	35%	0.352	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	127.9	178.7	-170.8	0	0	0	0	110.4	I86 Y94	I86-V92 CarbonylContact O-C 3.58Å; I86-V92 WeakPolarHBondContact O-CA 3.31Å; V92-Y94 HydrophobicContact CG1-CD1 4.13Å; V92-Y94 HydrophobicContact CG1-CE1 3.6Å; V92-Y94 HydrophobicContact CG1-CE2 4.41Å
93	W	89.8	Confident	88.4	Confident	19 Å²	19	60.4 Å²	60.4	7%	0.072	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	114.8	172.4	-68.5	11.5	0	0	0	109.5	L50 Y52 L67 D85 I86 L95	L50-W93 HydrophobicContact CB-CZ3 4.42Å; L50-W93 HydrophobicContact CD2-CE3 4.09Å; L50-W93 HydrophobicContact CD2-CZ3 3.99Å; L50-W93 HydrophobicContact CG-CZ3 4.09Å; L50-W93 WeakPolarHBondContact O-CH2 3.35Å; Y52-W93 HydrophobicContact CD1-CE3 4.41Å; Y52-W93 AromaticContact CD1-CH2 3.63Å; Y52-W93 HydrophobicContact CD1-CH2 3.63Å; Y52-W93 AromaticContact CD1-CZ2 3.94Å; Y52-W93 HydrophobicContact CD1-CZ2 3.94Å; Y52-W93 AromaticContact CD1-CZ3 3.87Å; Y52-W93 HydrophobicContact CD1-CZ3 3.87Å; Y52-W93 HydrophobicContact CE1-CH2 4.18Å; Y52-W93 HydrophobicContact CE1-CZ2 4.01Å; L67-W93 HydrophobicContact CB-CH2 3.7Å; L67-W93 HydrophobicContact CB-CZ2 3.64Å; L67-W93 HydrophobicContact CB-CZ3 4.19Å; L67-W93 HydrophobicContact CD1-CD2 3.99Å; L67-W93 HydrophobicContact CD1-CE3 4.5Å; L67-W93 HydrophobicContact CD1-CG 4.17Å; L67-W93 HydrophobicContact CD1-CZ2 4.39Å; D85-W93 WeakPolarHBondContact CA-O 3.48Å; I86-W93 PolarHBondContact N-O 3.31Å; I86-W93 PolarHBondContact O-N 3.02Å; W93-L95 HydrophobicContact CB-CG 4.49Å
94	Y	88.9	Confident	88.5	Confident	61 Å²	61	61.8 Å²	61.8	24%	0.239	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	123	170.7	-42.8	-78.4	0	0	0	108.9	W31 W38 R83 D85 V92	W31-Y94 HydrophobicContact CB-CD2 4.04Å; W31-Y94 HydrophobicContact CB-CG 4.37Å; W31-Y94 HydrophobicContact CG-CD2 4.25Å; W31-Y94 PolarHBondContact N-O 2.75Å; W38-Y94 WeakPolarHBondContact CZ3-O 3.37Å; R83-Y94 VanDerWaalsContact NH2-CD1 3.33Å; D85-Y94 HydrophobicContact CB-CD1 4.18Å; D85-Y94 WeakPolarHBondContact OD1-CD1 3.43Å; V92-Y94 HydrophobicContact CG1-CD1 4.13Å; V92-Y94 HydrophobicContact CG1-CE1 3.6Å; V92-Y94 HydrophobicContact CG1-CE2 4.41Å
95	L	92.9	Very high	88.5	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	145.3	-173.8	-64	173.4	0	0	0	111.3	L28 K30 L50 R83 F84 I86 W93	L28-L95 HydrophobicContact CB-CD2 4.48Å; L28-L95 HydrophobicContact CD1-CB 4.36Å; L28-L95 HydrophobicContact CD1-CD1 4.08Å; L28-L95 HydrophobicContact CD1-CD2 4.38Å; K30-L95 HydrophobicContact CB-CD2 3.7Å; K30-L95 HydrophobicContact CD-CD2 4.18Å; K30-L95 HydrophobicContact CG-CD2 3.78Å; L50-L95 HydrophobicContact CD2-CD1 4.26Å; R83-L95 WeakPolarHBondContact CA-O 3.28Å; R83-L95 WeakPolarHBondContact CG-O 3.47Å; F84-L95 HydrophobicContact CD1-CB 4.08Å; F84-L95 HydrophobicContact CE1-CB 3.7Å; F84-L95 HydrophobicContact CE2-CB 4.2Å; F84-L95 HydrophobicContact CE2-CD1 3.84Å; F84-L95 HydrophobicContact CZ-CB 3.77Å; F84-L95 HydrophobicContact CZ-CD1 3.82Å; F84-L95 HydrophobicContact CZ-CG 4.46Å; F84-L95 PolarHBondContact N-O 3.44Å; F84-L95 PolarHBondContact O-N 3.17Å; I86-L95 HydrophobicContact CD1-CD1 3.58Å; I86-L95 HydrophobicContact CG1-CD1 4.2Å; W93-L95 HydrophobicContact CB-CG 4.49Å
96	R	92.6	Very high	88.5	Confident	87 Å²	87	66 Å²	66	33%	0.328	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	124.2	-179.4	-159.8	173.1	-164.2	-93.9	-12.3	110.1	S29 W38 D80 C82 R83	S29-R96 PolarHBondContact N-O 3.43Å; S29-R96 PolarHBondContact O-N 2.87Å; W38-R96 HydrophobicContact CE3-CB 3.98Å; W38-R96 HydrophobicContact CH2-CB 4.28Å; W38-R96 HydrophobicContact CZ3-CB 3.77Å; D80-R96 IonicContact OD1-CZ 2.77Å; D80-R96 IonicContact OD1-NE 2.63Å; D80-R96 PolarHBondContact OD1-NE 2.91Å; D80-R96 IonicContact OD1-NH2 3.17Å; D80-R96 PolarHBondContact OD1-NH2 3.29Å; D80-R96 IonicContact OD2-CZ 2.96Å; D80-R96 IonicContact OD2-NE 2.66Å; D80-R96 PolarHBondContact OD2-NE 2.77Å; D80-R96 IonicContact OD2-NH2 2.74Å; D80-R96 PolarHBondContact OD2-NH2 2.64Å; C82-R96 HydrophobicContact CB-CG 3.83Å; C82-R96 WeakPolarHBondContact O-CA 3.5Å; R83-R96 HydrophobicContact CB-CG 4.36Å
97	A	94.2	Very high	88.6	Confident	8 Å²	8	66.8 Å²	66.8	7%	0.066	34%	0.336	C	S	.	.			trans	-82.8	173.6	172.6	0	0	0	0	0	111.1	L28 C82 H102 R103	L28-A97 HydrophobicContact CD2-CB 3.93Å; C82-A97 PolarHBondContact O-N 2.69Å; A97-H102 HydrophobicContact CB-CB 4.05Å; A97-R103 HydrophobicContact CB-CB 3.97Å
98	E	90.8	Very high	88.8	Confident	174 Å²	174	70.8 Å²	70.8	81%	0.813	35%	0.35	S	S	*	.	S	Bend	trans	-65	-41.7	174.9	-171.9	167.4	-179.6	0	0	111.5
99	D	90.1	Very high	89.2	Confident	49 Å²	49	70.7 Å²	70.7	26%	0.262	35%	0.351	S	S	.	.	S	Bend	trans	-145	174.8	-178.2	66.3	56.7	0	0	0	112.3	E101 H102 R103	D99-E101 VanDerWaalsContact C-N 3.33Å; D99-E101 PolarHBondContact O-N 3.16Å; D99-E101 WeakPolarHBondContact OD1-CA 3.39Å; D99-E101 WeakPolarHBondContact OD1-CB 3.45Å; D99-E101 PolarHBondContact OD1-N 3.15Å; D99-H102 IonicContact OD1-CG 3.04Å; D99-H102 PolarHBondContact OD1-N 3.12Å; D99-H102 IonicContact OD1-ND1 3.06Å; D99-H102 PolarHBondContact OD1-ND1 3.49Å; D99-H102 IonicContact OD2-CE1 3.19Å; D99-H102 IonicContact OD2-CG 3.42Å; D99-H102 IonicContact OD2-ND1 3.39Å; D99-H102 PolarHBondContact OD2-ND1 3.29Å; D99-R103 WeakPolarHBondContact O-CB 3.38Å; D99-R103 PolarHBondContact O-N 3.02Å
100	P	90	Very high	89.7	Confident	48 Å²	48	64.9 Å²	64.9	31%	0.312	32%	0.32	S	S	.	.	H	α-helix	trans	-70	-20.6	-179.1	-21.7	35.7	0	0	0	115.7	E81 Q104	E81-P100 HydrophobicContact CB-CB 4.12Å; E81-P100 HydrophobicContact CB-CG 3.65Å; E81-P100 VanDerWaalsContact O-CA 3.3Å; E81-P100 WeakPolarHBondContact O-CA 3.45Å; E81-P100 WeakPolarHBondContact O-CB 3.28Å; P100-Q104 PolarHBondContact O-N 3.3Å
101	E	91.3	Very high	90.5	Very high	163 Å²	163	60.1 Å²	60.1	76%	0.762	29%	0.292	S	S	*	.	H	α-helix	trans	-78.7	-49.5	179.3	-60	-173.7	-178.8	0	0	109.4	D99 R103 Q104 E105	D99-E101 VanDerWaalsContact C-N 3.33Å; D99-E101 PolarHBondContact O-N 3.16Å; D99-E101 WeakPolarHBondContact OD1-CA 3.39Å; D99-E101 WeakPolarHBondContact OD1-CB 3.45Å; D99-E101 PolarHBondContact OD1-N 3.15Å; E101-R103 VanDerWaalsContact C-N 3.28Å; E101-R103 PolarHBondContact O-N 2.98Å; E101-Q104 WeakPolarHBondContact O-CB 3.4Å; E101-Q104 PolarHBondContact O-N 3.27Å; E101-E105 PolarHBondContact O-N 2.92Å
102	H	91.1	Very high	91.1	Very high	83 Å²	83	61.8 Å²	61.8	38%	0.384	30%	0.296	S	S	.	.	H	α-helix	trans	-59.6	-36.3	170	-74.3	108.9	0	0	0	112.2	A97 D99 Q104 E105 W106	A97-H102 HydrophobicContact CB-CB 4.05Å; D99-H102 IonicContact OD1-CG 3.04Å; D99-H102 PolarHBondContact OD1-N 3.12Å; D99-H102 IonicContact OD1-ND1 3.06Å; D99-H102 PolarHBondContact OD1-ND1 3.49Å; D99-H102 IonicContact OD2-CE1 3.19Å; D99-H102 IonicContact OD2-CG 3.42Å; D99-H102 IonicContact OD2-ND1 3.39Å; D99-H102 PolarHBondContact OD2-ND1 3.29Å; H102-Q104 VanDerWaalsContact C-N 3.31Å; H102-Q104 PolarHBondContact O-N 2.81Å; H102-E105 IonicContact CD2-OE2 3.21Å; H102-E105 PolarHBondContact O-N 3.48Å; H102-W106 VanDerWaalsContact O-CD1 3.3Å; H102-W106 PolarHBondContact O-N 3.07Å
103	R	94	Very high	91	Very high	39 Å²	39	60.1 Å²	60.1	15%	0.147	28%	0.284	C	S	.	.	H	α-helix	trans	-58	-46.1	171.9	-173.5	-161.6	58.6	-179.7	-10.7	111	D80 E81 R83 F84 A97 D99 E101 W106 I107	D80-R103 PolarHBondContact O-NH1 3.1Å; E81-R103 VanDerWaalsContact O-CD 3.23Å; E81-R103 WeakPolarHBondContact O-CD 3.5Å; E81-R103 PolarHBondContact O-NE 3.3Å; E81-R103 PolarHBondContact O-NH1 3.09Å; E81-R103 PolarHBondContact O-NH2 3.11Å; R83-R103 VanDerWaalsContact O-CD 3.29Å; R83-R103 WeakPolarHBondContact O-CD 3.44Å; F84-R103 HydrophobicContact CB-CG 4.33Å; F84-R103 HydrophobicContact CD1-CG 3.78Å; F84-R103 HydrophobicContact CE1-CG 4.49Å; F84-R103 HydrophobicContact CG-CG 4.35Å; A97-R103 HydrophobicContact CB-CB 3.97Å; D99-R103 WeakPolarHBondContact O-CB 3.38Å; D99-R103 PolarHBondContact O-N 3.02Å; E101-R103 VanDerWaalsContact C-N 3.28Å; E101-R103 PolarHBondContact O-N 2.98Å; R103-W106 PolarHBondContact O-N 3.13Å; R103-I107 HydrophobicContact CG-CD1 3.91Å; R103-I107 WeakPolarHBondContact O-CD1 3.35Å; R103-I107 VanDerWaalsContact O-CG1 3.29Å; R103-I107 WeakPolarHBondContact O-CG1 3.36Å; R103-I107 PolarHBondContact O-N 3.18Å; R103-I107 VanDerWaalsContact O-N 3.07Å
104	Q	93.1	Very high	90.6	Very high	79 Å²	79	61.6 Å²	61.6	37%	0.369	29%	0.291	S	S	.	.	H	α-helix	trans	-66.7	-42.4	-178.6	-173.2	62.3	23.8	0	0	111.4	P100 E101 H102 W106 I107 E108	P100-Q104 PolarHBondContact O-N 3.3Å; E101-Q104 WeakPolarHBondContact O-CB 3.4Å; E101-Q104 PolarHBondContact O-N 3.27Å; H102-Q104 VanDerWaalsContact C-N 3.31Å; H102-Q104 PolarHBondContact O-N 2.81Å; Q104-W106 PolarHBondContact O-N 2.92Å; Q104-I107 PolarHBondContact O-N 3.44Å; Q104-E108 HydrophobicContact CG-CG 4.48Å; Q104-E108 WeakPolarHBondContact CG-OE1 3.13Å; Q104-E108 PolarHBondContact NE2-OE1 2.85Å; Q104-E108 WeakPolarHBondContact O-CG 3.44Å; Q104-E108 PolarHBondContact O-N 2.91Å
105	E	93.1	Very high	89.5	Confident	98 Å²	98	62 Å²	62	46%	0.458	31%	0.307	S	S	.	.	H	α-helix	trans	-57.5	-46.1	174.3	-172.7	-175.9	-155.1	0	0	111.9	F24 E101 H102 I107 E108 S109	F24-E105 HydrophobicContact CE2-CG 4.26Å; F24-E105 HydrophobicContact CZ-CG 3.83Å; E101-E105 PolarHBondContact O-N 2.92Å; H102-E105 IonicContact CD2-OE2 3.21Å; H102-E105 PolarHBondContact O-N 3.48Å; E105-I107 PolarHBondContact O-N 3.39Å; E105-E108 PolarHBondContact O-N 3.23Å; E105-S109 WeakPolarHBondContact O-CB 3.46Å; E105-S109 PolarHBondContact O-N 3.43Å
106	W	94.2	Very high	87.9	Confident	11 Å²	11	68 Å²	68	4%	0.042	34%	0.335	C	S	.	.	H	α-helix	trans	-61	-43	175.3	-89.7	100.5	0	0	0	112.7	F24 L28 V43 L45 L50 F84 H102 R103 Q104 I110	F24-W106 HydrophobicContact CD1-CD2 4.32Å; F24-W106 HydrophobicContact CD1-CE3 4Å; F24-W106 AromaticContact CD1-CH2 3.99Å; F24-W106 HydrophobicContact CD1-CH2 3.99Å; F24-W106 HydrophobicContact CD1-CZ2 4.3Å; F24-W106 AromaticContact CD1-CZ3 3.83Å; F24-W106 HydrophobicContact CD1-CZ3 3.83Å; F24-W106 AromaticContact CE1-CD2 3.61Å; F24-W106 HydrophobicContact CE1-CD2 3.61Å; F24-W106 AromaticContact CE1-CE2 3.7Å; F24-W106 AromaticContact CE1-CE3 3.74Å; F24-W106 HydrophobicContact CE1-CE3 3.74Å; F24-W106 HydrophobicContact CE1-CG 4.12Å; F24-W106 HydrophobicContact CE1-CH2 4.08Å; F24-W106 AromaticContact CE1-CZ2 3.96Å; F24-W106 HydrophobicContact CE1-CZ2 3.96Å; F24-W106 AromaticContact CE1-CZ3 3.97Å; F24-W106 HydrophobicContact CE1-CZ3 3.97Å; L28-W106 HydrophobicContact CD1-CD2 3.76Å; L28-W106 HydrophobicContact CD1-CE3 4.09Å; L28-W106 HydrophobicContact CD1-CG 4.19Å; L28-W106 HydrophobicContact CD1-CH2 4.42Å; L28-W106 HydrophobicContact CD1-CZ2 4.1Å; L28-W106 HydrophobicContact CD1-CZ3 4.42Å; L28-W106 HydrophobicContact CD2-CD2 4.41Å; L28-W106 HydrophobicContact CD2-CG 4.21Å; L28-W106 HydrophobicContact CG-CD2 4.3Å; L28-W106 HydrophobicContact CG-CZ2 4.14Å; V43-W106 HydrophobicContact CB-CH2 3.87Å; V43-W106 HydrophobicContact CB-CZ2 4.37Å; V43-W106 HydrophobicContact CB-CZ3 4.46Å; V43-W106 HydrophobicContact CG1-CH2 3.76Å; V43-W106 HydrophobicContact CG1-CZ3 3.87Å; L45-W106 HydrophobicContact CB-CZ3 4.38Å; L50-W106 HydrophobicContact CD1-CZ3 3.94Å; F84-W106 HydrophobicContact CE1-CB 4.21Å; F84-W106 HydrophobicContact CE2-CB 4.36Å; F84-W106 HydrophobicContact CZ-CB 3.73Å; F84-W106 HydrophobicContact CZ-CG 4.23Å; H102-W106 VanDerWaalsContact O-CD1 3.3Å; H102-W106 PolarHBondContact O-N 3.07Å; R103-W106 PolarHBondContact O-N 3.13Å; Q104-W106 PolarHBondContact O-N 2.92Å; W106-I110 HydrophobicContact CE3-CD1 4.04Å; W106-I110 HydrophobicContact CE3-CG1 4.44Å; W106-I110 WeakPolarHBondContact O-CB 3.43Å; W106-I110 WeakPolarHBondContact O-CD1 3.2Å; W106-I110 WeakPolarHBondContact O-CG1 3.5Å; W106-I110 PolarHBondContact O-N 3.34Å
107	I	93.2	Very high	86	Confident	18 Å²	18	66 Å²	66	9%	0.092	33%	0.334	C	S	.	.	H	α-helix	trans	-63.6	-47.1	177.6	-67.9	161.1	0	0	0	110.8	I74 P76 F84 R103 Q104 E105 I110 E111	I74-I107 HydrophobicContact CG2-CG1 4.1Å; I74-I107 HydrophobicContact CG2-CG2 4.19Å; P76-I107 HydrophobicContact CB-CD1 4.44Å; P76-I107 HydrophobicContact CG-CD1 4.14Å; F84-I107 HydrophobicContact CB-CD1 4Å; F84-I107 HydrophobicContact CB-CG1 4.1Å; F84-I107 HydrophobicContact CD2-CG1 3.98Å; F84-I107 HydrophobicContact CG-CD1 4.4Å; F84-I107 HydrophobicContact CG-CG1 4.06Å; R103-I107 HydrophobicContact CG-CD1 3.91Å; R103-I107 WeakPolarHBondContact O-CD1 3.35Å; R103-I107 VanDerWaalsContact O-CG1 3.29Å; R103-I107 WeakPolarHBondContact O-CG1 3.36Å; R103-I107 PolarHBondContact O-N 3.18Å; R103-I107 VanDerWaalsContact O-N 3.07Å; Q104-I107 PolarHBondContact O-N 3.44Å; E105-I107 PolarHBondContact O-N 3.39Å; I107-I110 PolarHBondContact O-N 3.44Å; I107-E111 PolarHBondContact O-N 2.94Å
108	E	91.9	Very high	83.9	Confident	118 Å²	118	68.4 Å²	68.4	55%	0.551	36%	0.36	S	S	*	.	H	α-helix	trans	-66	-42.8	-179.2	-72.7	-179.1	-167	0	0	111.9	Q104 E105 I110 E111 L112	Q104-E108 HydrophobicContact CG-CG 4.48Å; Q104-E108 WeakPolarHBondContact CG-OE1 3.13Å; Q104-E108 PolarHBondContact NE2-OE1 2.85Å; Q104-E108 WeakPolarHBondContact O-CG 3.44Å; Q104-E108 PolarHBondContact O-N 2.91Å; E105-E108 PolarHBondContact O-N 3.23Å; E108-I110 VanDerWaalsContact C-N 3.34Å; E108-I110 PolarHBondContact O-N 3.44Å; E108-E111 PolarHBondContact O-N 2.75Å; E108-L112 VanDerWaalsContact O-CB 3.27Å; E108-L112 WeakPolarHBondContact O-CB 3.46Å; E108-L112 PolarHBondContact O-N 2.61Å
109	S	90.8	Very high	81.6	Confident	18 Å²	18	71.3 Å²	71.3	13%	0.126	37%	0.365	C	S	.	.	H	α-helix	trans	-61.4	-41.2	175.4	-170.4	0	0	0	0	111.9	F24 E105 H113	F24-S109 WeakPolarHBondContact CD1-OG 3.32Å; F24-S109 WeakPolarHBondContact CG-OG 3.25Å; E105-S109 WeakPolarHBondContact O-CB 3.46Å; E105-S109 PolarHBondContact O-N 3.43Å; S109-H113 PolarHBondContact O-N 3.4Å; S109-H113 VanDerWaalsContact O-N 3.13Å; S109-H113 PolarHBondContact O-ND1 2.83Å
110	I	91	Very high	79.4	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-69	-45.3	177.8	-72	167.6	0	0	0	112	L45 L50 L69 I74 F84 I86 W106 I107 E108 L112 K114	L45-I110 HydrophobicContact CD2-CB 4.48Å; L45-I110 HydrophobicContact CD2-CG1 3.8Å; L50-I110 HydrophobicContact CD1-CD1 4.29Å; L50-I110 HydrophobicContact CD1-CG1 4.44Å; L50-I110 HydrophobicContact CD2-CD1 4.18Å; L69-I110 HydrophobicContact CD1-CG2 3.99Å; L69-I110 HydrophobicContact CD2-CG2 3.78Å; I74-I110 HydrophobicContact CD1-CG2 3.62Å; I74-I110 HydrophobicContact CG1-CG2 3.78Å; F84-I110 HydrophobicContact CE2-CD1 3.88Å; I86-I110 HydrophobicContact CD1-CD1 3.79Å; W106-I110 HydrophobicContact CE3-CD1 4.04Å; W106-I110 HydrophobicContact CE3-CG1 4.44Å; W106-I110 WeakPolarHBondContact O-CB 3.43Å; W106-I110 WeakPolarHBondContact O-CD1 3.2Å; W106-I110 WeakPolarHBondContact O-CG1 3.5Å; W106-I110 PolarHBondContact O-N 3.34Å; I107-I110 PolarHBondContact O-N 3.44Å; E108-I110 VanDerWaalsContact C-N 3.34Å; E108-I110 PolarHBondContact O-N 3.44Å; I110-L112 VanDerWaalsContact C-N 3.34Å; I110-K114 VanDerWaalsContact O-CB 3.26Å; I110-K114 WeakPolarHBondContact O-CB 3.4Å; I110-K114 PolarHBondContact O-N 3.38Å
111	E	89.6	Confident	76.8	Confident	69 Å²	69	75 Å²	75	32%	0.322	40%	0.404	S	S	.	.	H	α-helix	trans	-67.5	-32.8	177.1	-76.1	-69.7	174.1	0	0	112.2	I74 I107 E108 K114 A115	I74-E111 HydrophobicContact CD1-CG 4.34Å; I74-E111 VanDerWaalsContact CD1-OE1 3.31Å; I74-E111 WeakPolarHBondContact CD1-OE1 3.38Å; I107-E111 PolarHBondContact O-N 2.94Å; E108-E111 PolarHBondContact O-N 2.75Å; E111-K114 IonicContact OE1-NZ 3.62Å; E111-K114 PolarHBondContact OE1-NZ 2.93Å; E111-K114 VanDerWaalsContact OE2-CD 3.3Å; E111-K114 WeakPolarHBondContact OE2-CD 3.41Å; E111-K114 WeakPolarHBondContact OE2-CE 3.26Å; E111-K114 IonicContact OE2-NZ 3.71Å; E111-K114 PolarHBondContact OE2-NZ 3.29Å; E111-A115 VanDerWaalsContact O-CB 3.31Å; E111-A115 WeakPolarHBondContact O-CB 3.07Å; E111-A115 PolarHBondContact O-N 3.34Å
112	L	85.1	Confident	74	Confident	97 Å²	97	76.8 Å²	76.8	51%	0.508	41%	0.412	S	S	.	.	H	α-helix	trans	-62	-55.4	172.7	178.7	63.1	0	0	0	111.5	E108 I110 K114 A115 E116	E108-L112 VanDerWaalsContact O-CB 3.27Å; E108-L112 WeakPolarHBondContact O-CB 3.46Å; E108-L112 PolarHBondContact O-N 2.61Å; I110-L112 VanDerWaalsContact C-N 3.34Å; L112-K114 PolarHBondContact O-N 3.24Å; L112-A115 PolarHBondContact O-N 2.83Å; L112-E116 HydrophobicContact CD1-CG 4.43Å; L112-E116 WeakPolarHBondContact O-CG 3.49Å; L112-E116 PolarHBondContact O-N 3.16Å
113	H	82.5	Confident	71.1	Confident	24 Å²	24	78.7 Å²	78.7	11%	0.111	43%	0.43	C	S	.	.	H	α-helix	trans	-61.2	-32.1	179.4	-77.4	88.3	0	0	0	112.9	L45 S109	L45-H113 HydrophobicContact CD1-CB 4.09Å; L45-H113 HydrophobicContact CD2-CB 4.24Å; L45-H113 VanDerWaalsContact CD2-ND1 3.32Å; L45-H113 WeakPolarHBondContact CD2-ND1 3.34Å; L45-H113 HydrophobicContact CG-CB 4.37Å; S109-H113 PolarHBondContact O-N 3.4Å; S109-H113 VanDerWaalsContact O-N 3.13Å; S109-H113 PolarHBondContact O-ND1 2.83Å
114	K	81.1	Confident	68.1	Low	50 Å²	50	82.3 Å²	82.3	22%	0.217	46%	0.461	C	S	.	.	H	α-helix	trans	-67.6	-44.8	172.1	169.8	177.1	146.3	-165.2	0	111.5	L69 A72 I74 I110 E111 L112 S117	L69-K114 HydrophobicContact CB-CB 4.29Å; A72-K114 WeakPolarHBondContact O-CE 3.33Å; A72-K114 PolarHBondContact O-NZ 3.33Å; I74-K114 HydrophobicContact CD1-CD 4.24Å; I110-K114 VanDerWaalsContact O-CB 3.26Å; I110-K114 WeakPolarHBondContact O-CB 3.4Å; I110-K114 PolarHBondContact O-N 3.38Å; E111-K114 IonicContact OE1-NZ 3.62Å; E111-K114 PolarHBondContact OE1-NZ 2.93Å; E111-K114 VanDerWaalsContact OE2-CD 3.3Å; E111-K114 WeakPolarHBondContact OE2-CD 3.41Å; E111-K114 WeakPolarHBondContact OE2-CE 3.26Å; E111-K114 IonicContact OE2-NZ 3.71Å; E111-K114 PolarHBondContact OE2-NZ 3.29Å; L112-K114 PolarHBondContact O-N 3.24Å; K114-S117 PolarHBondContact O-N 3.02Å; K114-S117 PolarHBondContact O-OG 3.31Å
115	A	66.3	Low	65.1	Low	69 Å²	69	86.4 Å²	86.4	57%	0.57	49%	0.485	S	S	*	.	H	α-helix	trans	-66.4	-39.5	178.8	0	0	0	0	0	112.9	E111 L112 S117 G118	E111-A115 VanDerWaalsContact O-CB 3.31Å; E111-A115 WeakPolarHBondContact O-CB 3.07Å; E111-A115 PolarHBondContact O-N 3.34Å; L112-A115 PolarHBondContact O-N 2.83Å; A115-S117 PolarHBondContact O-N 3.25Å; A115-G118 PolarHBondContact O-N 3.19Å
116	E	60	Low	62.2	Low	127 Å²	127	93.4 Å²	93.4	59%	0.593	51%	0.507	S	S	*	.	H	α-helix	trans	-59.7	-32.8	176	-72.4	179.4	168.2	0	0	112.5	L112 G118	L112-E116 HydrophobicContact CD1-CG 4.43Å; L112-E116 WeakPolarHBondContact O-CG 3.49Å; L112-E116 PolarHBondContact O-N 3.16Å; E116-G118 PolarHBondContact O-N 2.96Å
117	S	53.6	Low	59.2	Low	43 Å²	43	105 Å²	105	30%	0.301	55%	0.551	S	S	.	*	G	3₁₀ helix	trans	-65.8	-16.7	174.5	82.6	0	0	0	0	114.2	N48 K114 A115 Y119	N48-S117 PolarHBondContact OD1-OG 3.12Å; K114-S117 PolarHBondContact O-N 3.02Å; K114-S117 PolarHBondContact O-OG 3.31Å; A115-S117 PolarHBondContact O-N 3.25Å; S117-Y119 VanDerWaalsContact C-N 3.32Å; S117-Y119 PolarHBondContact O-N 2.9Å
118	G	48.3	Very low	56.2	Low	59 Å²	59	113.8 Å²	113.8	61%	0.608	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-74.7	-10.4	-173.6	0	0	0	0	0	116	A115 E116	A115-G118 PolarHBondContact O-N 3.19Å; E116-G118 PolarHBondContact O-N 2.96Å
119	Y	43.3	Very low	53	Low	236 Å²	236	111.3 Å²	111.3	93%	0.925	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-94.4	13.9	-176.1	-116.8	-89	0	0	0	114.9	S117	S117-Y119 VanDerWaalsContact C-N 3.32Å; S117-Y119 PolarHBondContact O-N 2.9Å
120	G	44.3	Very low	50.1	Low	54 Å²	54	115.8 Å²	115.8	56%	0.557	63%	0.628	S	S	*	*	S	Bend	trans	-121.8	123.5	176.6	0	0	0	0	0	113.8
121	S	35.2	Very low	47.1	Very low	121 Å²	121	123.6 Å²	123.6	85%	0.846	67%	0.667	S	S	*	*			trans	69	49.5	166.7	-57.9	0	0	0	0	118.8	T123	S121-T123 PolarHBondContact O-N 3.25Å; S121-T123 VanDerWaalsContact O-N 3.16Å
122	E	31.2	Very low	44.3	Very low	199 Å²	199	127 Å²	127	93%	0.93	69%	0.686	S	S	*	*			trans	-69.9	95.9	150	-96.8	-130	128.9	0	0	110.7
123	T	30.9	Very low	41.7	Very low	124 Å²	124	126.7 Å²	126.7	76%	0.761	69%	0.692	S	S	*	*			trans	-149.4	122.4	154.5	50.5	0	0	0	0	112.8	S121	S121-T123 PolarHBondContact O-N 3.25Å; S121-T123 VanDerWaalsContact O-N 3.16Å
124	S	31.7	Very low	39.2	Very low	114 Å²	114	131.1 Å²	131.1	80%	0.797	72%	0.716	S	S	*	*			trans	66.1	122.9	167.4	-122.9	0	0	0	0	115.9
125	L	30.3	Very low	36.7	Very low	166 Å²	166	132.5 Å²	132.5	87%	0.869	73%	0.729	S	S	*	*			cis	-146.3	138.9	32.5	-78.5	161.4	0	0	0	112.4
126	R	31.6	Very low	35.1	Very low	244 Å²	244	129.8 Å²	129.8	92%	0.921	71%	0.706	S	S	*	*			trans	-82.9	132.7	171.7	-70.7	-178.8	171.2	-170.4	-2.8	112.7
127	R	30.7	Very low	33.7	Very low	256 Å²	256	124 Å²	124	97%	0.966	68%	0.68	S	S	*	*			trans	-143.3	161.8	148.5	-72.2	-158.6	173.9	-164.1	-1.7	111.2
128	H	29.8	Very low	32.6	Very low	202 Å²	202	123.3 Å²	123.3	94%	0.935	68%	0.677	S	S	*	*			trans	-100.2	156.3	-162.7	-106.5	-102.4	0	0	0	114.6
129	G	26.2	Very low	31.7	Very low	65 Å²	65	124.5 Å²	124.5	67%	0.67	68%	0.676	S	S	*	*			trans	135.8	86.3	133.4	0	0	0	0	0	121.7
130	S	29.3	Very low	31	Very low	112 Å²	112	116.7 Å²	116.7	78%	0.783	66%	0.66	S	S	*	*			trans	47.1	115.5	135.7	-52.3	0	0	0	0	124.6
131	M	28.8	Very low	30.5	Very low	165 Å²	165	121.7 Å²	121.7	81%	0.813	67%	0.673	S	S	*	*				33	146.8	110.8	-68.7	-152.1	-59.5	0	0	121.4
132	L	30.1	Very low	30.3	Very low	139 Å²	139	120.9 Å²	120.9	73%	0.728	67%	0.668	S	S	*	*			cis	-165.5	168.5	16.7	-119.4	164	0	0	0	113.9
133	S	29.5	Very low	30.2	Very low	91 Å²	91	116.3 Å²	116.3	64%	0.636	66%	0.657	S	S	*	*			trans	-26.1	168.4	158.3	-64.3	0	0	0	0	121.5
134	L	30.3	Very low	30.2	Very low	117 Å²	117	116.6 Å²	116.6	61%	0.613	66%	0.659	S	S	*	*			cis	-163.4	88.3	-8.8	-105.8	164.3	0	0	0	111.9	R291	L134-R291 PolarHBondContact O-NE 2.78Å; L134-R291 PolarHBondContact O-NH2 3.25Å
135	T	29.3	Very low	30.3	Very low	79 Å²	79	115.6 Å²	115.6	49%	0.485	65%	0.652	S	S	.	*			trans	51.4	-156.3	154.8	53.1	0	0	0	0	120.4	R291	T135-R291 WeakPolarHBondContact OG1-CG 3.39Å; T135-R291 PolarHBondContact OG1-NE 2.85Å
136	S	32.8	Very low	30.7	Very low	12 Å²	12	114.1 Å²	114.1	8%	0.084	65%	0.65	C	S	.	*			trans	176.4	162.8	-179.3	-74	0	0	0	0	112.1	E287 Y290 R291	S136-E287 WeakPolarHBondContact CB-O 3.42Å; S136-E287 PolarHBondContact OG-O 3.48Å; S136-Y290 CarbonylContact O-C 3.55Å; S136-Y290 VanDerWaalsContact O-CB 3.25Å; S136-Y290 WeakPolarHBondContact O-CB 3.33Å; S136-Y290 WeakPolarHBondContact O-CD1 3.24Å; S136-R291 PolarHBondContact O-N 2.83Å; S136-R291 WeakPolarHBondContact OG-CB 3.3Å; S136-R291 PolarHBondContact OG-NE 2.94Å; S136-R291 PolarHBondContact OG-NH1 3.21Å; S136-R291 PolarHBondContact OG-NH2 3.35Å; S136-R291 VanDerWaalsContact OG-NH2 3.15Å
137	A	30.2	Very low	31.1	Very low	6 Å²	6	107.5 Å²	107.5	5%	0.05	64%	0.642	C	S	.	*			trans	-155.7	0	-132.9	0	0	0	0	0	128.5	V286 E287 A289 Y290 R291	A137-V286 CarbonylContact C-O 3.59Å; A137-V286 WeakPolarHBondContact CA-O 3.32Å; A137-V286 VanDerWaalsContact N-C 3.29Å; A137-V286 PolarHBondContact N-O 3.18Å; A137-V286 CarbonylContact O-C 3.58Å; A137-E287 WeakPolarHBondContact CB-O 3.2Å; A137-A289 VanDerWaalsContact CB-CA 3.4Å; A137-A289 CarbonylContact O-C 3.54Å; A137-Y290 PolarHBondContact O-N 3.14Å; A137-R291 HydrophobicContact CB-CB 3.4Å; A137-R291 VanDerWaalsContact CB-CB 3.4Å
138	A	29.6	Very low	31.8	Very low	29 Å²	29	99.5 Å²	99.5	24%	0.24	63%	0.625	C	S	.	*				0	147.4	0	0	0	0	0	0	125.5	R285 D288 A289	A138-R285 CarbonylContact C-O 3.55Å; A138-R285 CarbonylContact O-C 3.54Å; A138-R285 WeakPolarHBondContact O-CA 3.39Å; A138-R285 WeakPolarHBondContact O-CB 3.34Å; A138-R285 WeakPolarHBondContact O-CG 3.45Å; A138-D288 VanDerWaalsContact CB-C 3.46Å; A138-D288 HydrophobicContact CB-CB 3.62Å; A138-D288 WeakPolarHBondContact O-CB 3.47Å; A138-A289 VanDerWaalsContact CA-CA 3.42Å; A138-A289 HydrophobicContact CB-CB 2.94Å
139	S	30.4	Very low	32.4	Very low	83 Å²	83	99.1 Å²	99.1	58%	0.58	62%	0.621	S	S	*	*			trans	-135.6	154.7	169.8	34.8	0	0	0	0	117.1	R285	S139-R285 VanDerWaalsContact CA-O 3.31Å; S139-R285 WeakPolarHBondContact CA-O 3.36Å; S139-R285 WeakPolarHBondContact CB-O 3.46Å; S139-R285 PolarHBondContact N-O 3.49Å; S139-R285 PolarHBondContact OG-O 2.97Å
140	A	28.4	Very low	33.6	Very low	72 Å²	72	105.5 Å²	105.5	60%	0.595	63%	0.63	S	S	*	*			trans	-119.5	127.1	162.2	0	0	0	0	0	112.4
141	L	34.4	Very low	34.8	Very low	160 Å²	160	108 Å²	108	84%	0.838	63%	0.627	S	S	*	*			trans	36.6	108.3	156.4	-90.5	57.4	0	0	0	122.4
142	S	30.1	Very low	36	Very low	104 Å²	104	102.2 Å²	102.2	73%	0.727	61%	0.609	S	S	*	*				65.7	145.8	103.7	-58.8	0	0	0	0	124.8
143	S	29.8	Very low	37.3	Very low	102 Å²	102	101.1 Å²	101.1	71%	0.713	60%	0.6	S	S	*	*			trans	94.7	116.1	143.5	75	0	0	0	0	121.6
144	T	30.7	Very low	38.9	Very low	130 Å²	130	105.4 Å²	105.4	80%	0.798	60%	0.602	S	S	*	*			trans	62.3	153.3	141.8	60.3	0	0	0	0	120.8
145	S	33.3	Very low	40.7	Very low	93 Å²	93	102 Å²	102	65%	0.65	59%	0.585	S	S	*	*			cis	-160.9	161.9	-22.2	-98.8	0	0	0	0	111.7
146	T	39.8	Very low	42.7	Very low	135 Å²	135	107.3 Å²	107.3	83%	0.828	60%	0.596	S	S	*	*			trans	12.7	117	155.1	57.6	0	0	0	0	120.6
147	S	39.1	Very low	44.5	Very low	106 Å²	106	111.1 Å²	111.1	74%	0.741	61%	0.612	S	S	*	*			trans	-169.5	10.9	154.8	49.5	0	0	0	0	117.7	F149	S147-F149 VanDerWaalsContact C-N 3.34Å; S147-F149 PolarHBondContact O-N 2.93Å; S147-F149 VanDerWaalsContact O-N 3.11Å
148	S	46.3	Very low	46.5	Very low	87 Å²	87	113.5 Å²	113.5	61%	0.608	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-57.1	-34.9	-165.3	-155.6	0	0	0	0	116.4	K150	S148-K150 PolarHBondContact O-N 2.65Å
149	F	41.3	Very low	48.4	Very low	194 Å²	194	115.7 Å²	115.7	85%	0.851	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-73.9	-18.5	-164.2	-72.1	-80.2	0	0	0	116.3	S147	S147-F149 VanDerWaalsContact C-N 3.34Å; S147-F149 PolarHBondContact O-N 2.93Å; S147-F149 VanDerWaalsContact O-N 3.11Å
150	K	51.5	Low	50.4	Low	199 Å²	199	113.8 Å²	113.8	87%	0.865	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-85.7	-10	-176.6	-69.6	-169.8	176.8	-176.4	0	115.4	S148	S148-K150 PolarHBondContact O-N 2.65Å
151	K	54.7	Low	52.4	Low	165 Å²	165	113.7 Å²	113.7	72%	0.717	61%	0.605	S	S	*	*	S	Bend	trans	-90.7	-17.1	179.3	-89.3	-169.9	174.6	-175.3	0	115.2
152	G	54.1	Low	54.1	Low	43 Å²	43	108.2 Å²	108.2	44%	0.443	58%	0.576	S	S	.	*	H	α-helix	trans	-70.2	-31	-178.4	0	0	0	0	0	114.3
153	H	58.2	Low	55.7	Low	116 Å²	116	109.2 Å²	109.2	54%	0.537	57%	0.569	S	S	.	*	H	α-helix	trans	-59.8	-50	-174.7	-104.6	-93.7	0	0	0	113.9	L155 R156 E157	H153-L155 VanDerWaalsContact C-N 3.33Å; H153-L155 PolarHBondContact O-N 2.78Å; H153-R156 WeakPolarHBondContact O-CA 3.44Å; H153-R156 WeakPolarHBondContact O-CB 3.33Å; H153-R156 PolarHBondContact O-N 3.11Å; H153-E157 WeakPolarHBondContact CB-OE1 3.46Å; H153-E157 IonicContact CG-OE1 2.7Å; H153-E157 IonicContact ND1-OE1 2.66Å; H153-E157 PolarHBondContact ND1-OE1 3.31Å; H153-E157 VanDerWaalsContact O-CD 3.31Å; H153-E157 WeakPolarHBondContact O-CG 3.34Å; H153-E157 PolarHBondContact O-N 2.8Å
154	R	61.9	Low	57.7	Low	182 Å²	182	108.5 Å²	108.5	69%	0.687	56%	0.56	S	S	*	*	H	α-helix	trans	-63.1	-32.2	-173.2	-72	-171.7	172.2	-148.6	-2.9	115.1	E157 K158	R154-E157 WeakPolarHBondContact CA-OE2 3.48Å; R154-K158 WeakPolarHBondContact O-CG 3.44Å; R154-K158 PolarHBondContact O-N 3.46Å
155	L	69.4	Low	59.6	Low	46 Å²	46	105.4 Å²	105.4	24%	0.241	54%	0.536	C	S	.	.	H	α-helix	trans	-72.2	-39.6	174.4	-176	63.5	0	0	0	110.8	H153 K158 L159 C261 L264 M265	H153-L155 VanDerWaalsContact C-N 3.33Å; H153-L155 PolarHBondContact O-N 2.78Å; L155-K158 PolarHBondContact O-N 3.14Å; L155-L159 HydrophobicContact CG-CD1 4.42Å; L155-L159 WeakPolarHBondContact O-CG 3.41Å; L155-L159 PolarHBondContact O-N 3.15Å; L155-C261 HydrophobicContact CD1-CB 3.85Å; L155-L264 HydrophobicContact CD1-CB 4.25Å; L155-L264 HydrophobicContact CD1-CD1 4.38Å; L155-M265 HydrophobicContact CD2-CG 4.25Å
156	R	69.7	Low	61.3	Low	190 Å²	190	108 Å²	108	72%	0.717	53%	0.532	S	S	*	.	H	α-helix	trans	-66.4	-37	177.1	-172.2	173.9	-179.5	-90.7	-2.7	112.2	H153 L159 A160	H153-R156 WeakPolarHBondContact O-CA 3.44Å; H153-R156 WeakPolarHBondContact O-CB 3.33Å; H153-R156 PolarHBondContact O-N 3.11Å; R156-L159 PolarHBondContact O-N 3.11Å; R156-A160 PolarHBondContact O-N 3.5Å
157	E	72.6	Confident	62.6	Low	91 Å²	91	104.6 Å²	104.6	43%	0.425	51%	0.509	S	S	.	.	H	α-helix	trans	-61.6	-46.3	172.2	-74.2	145	-156.2	0	0	111.2	H153 R154 L159 A160 E161	H153-E157 WeakPolarHBondContact CB-OE1 3.46Å; H153-E157 IonicContact CG-OE1 2.7Å; H153-E157 IonicContact ND1-OE1 2.66Å; H153-E157 PolarHBondContact ND1-OE1 3.31Å; H153-E157 VanDerWaalsContact O-CD 3.31Å; H153-E157 WeakPolarHBondContact O-CG 3.34Å; H153-E157 PolarHBondContact O-N 2.8Å; R154-E157 WeakPolarHBondContact CA-OE2 3.48Å; E157-L159 PolarHBondContact O-N 2.8Å; E157-A160 PolarHBondContact O-N 3.13Å; E157-E161 PolarHBondContact O-N 3.19Å; E157-E161 VanDerWaalsContact O-N 3.12Å
158	K	72.1	Confident	64.2	Low	57 Å²	57	102.9 Å²	102.9	25%	0.248	49%	0.49	C	S	.	.	H	α-helix	trans	-69.6	-29.8	177.8	-71.3	-70.9	171.1	-144.1	0	114.4	R154 L155 E161 M162 T257	R154-K158 WeakPolarHBondContact O-CG 3.44Å; R154-K158 PolarHBondContact O-N 3.46Å; L155-K158 PolarHBondContact O-N 3.14Å; K158-E161 WeakPolarHBondContact CD-OE2 3.37Å; K158-E161 IonicContact NZ-OE1 3.24Å; K158-E161 PolarHBondContact NZ-OE1 2.98Å; K158-E161 IonicContact NZ-OE2 3.81Å; K158-E161 PolarHBondContact NZ-OE2 2.74Å; K158-M162 PolarHBondContact O-N 2.8Å; K158-M162 VanDerWaalsContact O-N 3.15Å; K158-T257 HydrophobicContact CB-CG2 4.17Å; K158-T257 HydrophobicContact CD-CG2 4.21Å; K158-T257 WeakPolarHBondContact O-CG2 3.19Å
159	L	69.6	Low	65.4	Low	74 Å²	74	100 Å²	100	39%	0.387	47%	0.468	S	S	.	.	H	α-helix	trans	-66	-40.6	170.6	-71.1	169.8	0	0	0	111.8	L155 R156 E157 M162 E163	L155-L159 HydrophobicContact CG-CD1 4.42Å; L155-L159 WeakPolarHBondContact O-CG 3.41Å; L155-L159 PolarHBondContact O-N 3.15Å; R156-L159 PolarHBondContact O-N 3.11Å; E157-L159 PolarHBondContact O-N 2.8Å; L159-M162 HydrophobicContact CD2-CE 3.78Å; L159-M162 WeakPolarHBondContact O-CB 3.23Å; L159-M162 PolarHBondContact O-N 3.11Å; L159-M162 VanDerWaalsContact O-N 3.16Å; L159-E163 WeakPolarHBondContact O-CG 3.47Å; L159-E163 PolarHBondContact O-N 2.91Å
160	A	70.8	Confident	66.6	Low	44 Å²	44	93.4 Å²	93.4	36%	0.364	45%	0.445	S	S	.	.	H	α-helix	trans	-67.4	-34.8	176.7	0	0	0	0	0	113.2	R156 E157 M162 E163 T164	R156-A160 PolarHBondContact O-N 3.5Å; E157-A160 PolarHBondContact O-N 3.13Å; A160-M162 VanDerWaalsContact C-N 3.33Å; A160-E163 PolarHBondContact O-N 3.32Å; A160-T164 PolarHBondContact O-N 2.98Å; A160-T164 PolarHBondContact O-OG1 2.83Å
161	E	70.5	Confident	67.6	Low	70 Å²	70	91.2 Å²	91.2	33%	0.327	43%	0.432	S	S	.	.	H	α-helix	trans	-60.7	-42.7	169.2	-71.8	174.7	-145.7	0	0	111.5	E157 K158 T164 F165	E157-E161 PolarHBondContact O-N 3.19Å; E157-E161 VanDerWaalsContact O-N 3.12Å; K158-E161 WeakPolarHBondContact CD-OE2 3.37Å; K158-E161 IonicContact NZ-OE1 3.24Å; K158-E161 PolarHBondContact NZ-OE1 2.98Å; K158-E161 IonicContact NZ-OE2 3.81Å; K158-E161 PolarHBondContact NZ-OE2 2.74Å; E161-T164 WeakPolarHBondContact O-CB 3.48Å; E161-T164 PolarHBondContact O-N 3.18Å; E161-F165 VanDerWaalsContact O-CD2 3.3Å; E161-F165 WeakPolarHBondContact O-CD2 3.49Å; E161-F165 WeakPolarHBondContact O-CG 3.46Å; E161-F165 PolarHBondContact O-N 3.01Å
162	M	71.1	Confident	68.3	Low	45 Å²	45	84 Å²	84	22%	0.222	40%	0.4	C	S	.	.	H	α-helix	trans	-67.1	-39.2	178.5	-171.9	-178.3	72.4	0	0	112.9	K158 L159 A160 T164 F165 R166 I254 T257 L258	K158-M162 PolarHBondContact O-N 2.8Å; K158-M162 VanDerWaalsContact O-N 3.15Å; L159-M162 HydrophobicContact CD2-CE 3.78Å; L159-M162 WeakPolarHBondContact O-CB 3.23Å; L159-M162 PolarHBondContact O-N 3.11Å; L159-M162 VanDerWaalsContact O-N 3.16Å; A160-M162 VanDerWaalsContact C-N 3.33Å; M162-T164 VanDerWaalsContact C-N 3.33Å; M162-F165 PolarHBondContact O-N 3.46Å; M162-R166 WeakPolarHBondContact O-CB 3.11Å; M162-R166 PolarHBondContact O-N 2.72Å; M162-I254 HydrophobicContact CG-CG2 4.28Å; M162-T257 HydrophobicContact CB-CG2 4.03Å; M162-L258 HydrophobicContact CE-CD2 4.43Å; M162-L258 HydrophobicContact SD-CD1 4.48Å; M162-L258 HydrophobicContact SD-CD2 3.39Å; M162-L258 WeakPolarHBondContact SD-CD2 2.99Å; M162-L258 HydrophobicContact SD-CG 3.63Å
163	E	64.1	Low	69.2	Low	124 Å²	124	85.2 Å²	85.2	58%	0.579	40%	0.399	S	S	*	.	H	α-helix	trans	-60.8	-42.7	171.3	-71.9	172.8	156.4	0	0	111.1	L159 A160 F165 R166 D167	L159-E163 WeakPolarHBondContact O-CG 3.47Å; L159-E163 PolarHBondContact O-N 2.91Å; A160-E163 PolarHBondContact O-N 3.32Å; E163-F165 PolarHBondContact O-N 2.75Å; E163-R166 WeakPolarHBondContact O-CB 3.07Å; E163-R166 PolarHBondContact O-N 2.91Å; E163-D167 PolarHBondContact O-N 2.76Å; E163-D167 VanDerWaalsContact O-N 3.07Å
164	T	70.7	Confident	69.8	Low	87 Å²	87	84.9 Å²	84.9	53%	0.534	40%	0.401	S	S	.	.	H	α-helix	trans	-62.1	-43.9	176.5	-53.9	0	0	0	0	111.8	A160 E161 M162 D167 I168	A160-T164 PolarHBondContact O-N 2.98Å; A160-T164 PolarHBondContact O-OG1 2.83Å; E161-T164 WeakPolarHBondContact O-CB 3.48Å; E161-T164 PolarHBondContact O-N 3.18Å; M162-T164 VanDerWaalsContact C-N 3.33Å; T164-D167 PolarHBondContact O-N 3.13Å; T164-I168 WeakPolarHBondContact O-CG1 3.48Å; T164-I168 PolarHBondContact O-N 3.3Å
165	F	70.8	Confident	70.2	Confident	65 Å²	65	78.6 Å²	78.6	29%	0.285	38%	0.383	S	S	.	.	H	α-helix	trans	-68.2	-37.1	176.2	-65	-43.3	0	0	0	113.1	E161 M162 E163 D167 I168 L169 T250 I254	E161-F165 VanDerWaalsContact O-CD2 3.3Å; E161-F165 WeakPolarHBondContact O-CD2 3.49Å; E161-F165 WeakPolarHBondContact O-CG 3.46Å; E161-F165 PolarHBondContact O-N 3.01Å; M162-F165 PolarHBondContact O-N 3.46Å; E163-F165 PolarHBondContact O-N 2.75Å; F165-D167 VanDerWaalsContact C-N 3.29Å; F165-D167 PolarHBondContact O-N 2.8Å; F165-I168 WeakPolarHBondContact O-CB 3.06Å; F165-I168 PolarHBondContact O-N 3.02Å; F165-L169 PolarHBondContact O-N 2.96Å; F165-T250 HydrophobicContact CB-CG2 3.91Å; F165-T250 HydrophobicContact CD1-CG2 4.22Å; F165-T250 HydrophobicContact CG-CG2 4.39Å; F165-T250 WeakPolarHBondContact O-CG2 3.45Å; F165-I254 HydrophobicContact CB-CD1 3.65Å; F165-I254 HydrophobicContact CB-CG1 3.34Å; F165-I254 HydrophobicContact CD2-CG1 4.09Å; F165-I254 HydrophobicContact CG-CG1 4.14Å
166	R	70.1	Confident	70.2	Confident	148 Å²	148	77.4 Å²	77.4	56%	0.558	38%	0.377	S	S	*	.	H	α-helix	trans	-56.4	-46.9	173.9	167.2	-169.4	171.4	-88.8	3.7	110.5	M162 E163 I168 L169 C170	M162-R166 WeakPolarHBondContact O-CB 3.11Å; M162-R166 PolarHBondContact O-N 2.72Å; E163-R166 WeakPolarHBondContact O-CB 3.07Å; E163-R166 PolarHBondContact O-N 2.91Å; R166-I168 PolarHBondContact O-N 2.73Å; R166-L169 PolarHBondContact O-N 2.77Å; R166-L169 VanDerWaalsContact O-N 3.13Å; R166-C170 PolarHBondContact O-N 2.87Å; R166-C170 PolarHBondContact O-SG 2.86Å
167	D	65.9	Low	70.3	Confident	64 Å²	64	73.3 Å²	73.3	34%	0.342	37%	0.366	S	S	.	.	H	α-helix	trans	-68.5	-22.9	-178.8	-80.5	24.7	0	0	0	112.7	E163 T164 F165 R171	E163-D167 PolarHBondContact O-N 2.76Å; E163-D167 VanDerWaalsContact O-N 3.07Å; T164-D167 PolarHBondContact O-N 3.13Å; F165-D167 VanDerWaalsContact C-N 3.29Å; F165-D167 PolarHBondContact O-N 2.8Å; D167-R171 WeakPolarHBondContact O-CG 3.31Å; D167-R171 PolarHBondContact O-NH1 2.75Å
168	I	73.2	Confident	70.2	Confident	69 Å²	69	75.8 Å²	75.8	35%	0.354	38%	0.375	S	S	.	.	H	α-helix	trans	-73.2	-51.9	166.5	-66.3	166.6	0	0	0	109.7	T164 F165 R166 C170 R171 Q172 T250	T164-I168 WeakPolarHBondContact O-CG1 3.48Å; T164-I168 PolarHBondContact O-N 3.3Å; F165-I168 WeakPolarHBondContact O-CB 3.06Å; F165-I168 PolarHBondContact O-N 3.02Å; R166-I168 PolarHBondContact O-N 2.73Å; I168-C170 VanDerWaalsContact C-N 3.32Å; I168-C170 PolarHBondContact O-N 2.95Å; I168-R171 PolarHBondContact O-N 2.73Å; I168-R171 VanDerWaalsContact O-N 3.15Å; I168-Q172 HydrophobicContact CG2-CG 4.34Å; I168-Q172 WeakPolarHBondContact O-CG 3.48Å; I168-Q172 PolarHBondContact O-N 3.06Å; I168-Q172 VanDerWaalsContact O-N 3.08Å; I168-T250 HydrophobicContact CB-CG2 4.12Å; I168-T250 HydrophobicContact CG2-CG2 3.97Å
169	L	71.9	Confident	70	Confident	26 Å²	26	75.7 Å²	75.7	14%	0.136	38%	0.375	C	S	.	.	H	α-helix	trans	-55.2	-43	-180	-72.7	-165.4	0	0	0	113.1	F165 R166 R171 Q172 V173 F247 T250 T251 I254	F165-L169 PolarHBondContact O-N 2.96Å; R166-L169 PolarHBondContact O-N 2.77Å; R166-L169 VanDerWaalsContact O-N 3.13Å; L169-R171 PolarHBondContact O-N 2.74Å; L169-Q172 PolarHBondContact O-N 3.42Å; L169-Q172 VanDerWaalsContact O-N 3.16Å; L169-V173 WeakPolarHBondContact O-CG2 3.42Å; L169-V173 PolarHBondContact O-N 2.76Å; L169-F247 HydrophobicContact CB-CE2 4.39Å; L169-F247 HydrophobicContact CD1-CE2 4.41Å; L169-F247 HydrophobicContact CD2-CD2 3.58Å; L169-F247 HydrophobicContact CD2-CE2 3.82Å; L169-F247 HydrophobicContact CD2-CG 4.21Å; L169-F247 HydrophobicContact CG-CE2 4.45Å; L169-T250 HydrophobicContact CD2-CG2 3.56Å; L169-T250 HydrophobicContact CG-CG2 3.82Å; L169-T251 WeakPolarHBondContact CD1-OG1 3.49Å; L169-T251 WeakPolarHBondContact CD2-OG1 3.28Å; L169-I254 HydrophobicContact CD1-CD1 3.39Å; L169-I254 HydrophobicContact CG-CD1 3.79Å
170	C	66.7	Low	69.9	Low	56 Å²	56	77.9 Å²	77.9	38%	0.378	38%	0.382	S	S	.	.	H	α-helix	trans	-56.6	-49.6	178.1	-69.7	0	0	0	0	111.5	R166 I168 Q172 V173 D174	R166-C170 PolarHBondContact O-N 2.87Å; R166-C170 PolarHBondContact O-SG 2.86Å; I168-C170 VanDerWaalsContact C-N 3.32Å; I168-C170 PolarHBondContact O-N 2.95Å; C170-Q172 VanDerWaalsContact C-N 3.26Å; C170-Q172 PolarHBondContact O-N 3.39Å; C170-V173 PolarHBondContact O-N 2.7Å; C170-V173 VanDerWaalsContact O-N 3.15Å; C170-D174 PolarHBondContact O-N 3.4Å
171	R	71.3	Confident	70	Confident	154 Å²	154	80.1 Å²	80.1	58%	0.581	39%	0.388	S	S	*	.	H	α-helix	trans	-62.1	-33.1	177.7	-66.6	176.2	176.5	94	-4.8	112.9	D167 I168 L169 T175	D167-R171 WeakPolarHBondContact O-CG 3.31Å; D167-R171 PolarHBondContact O-NH1 2.75Å; I168-R171 PolarHBondContact O-N 2.73Å; I168-R171 VanDerWaalsContact O-N 3.15Å; L169-R171 PolarHBondContact O-N 2.74Å; R171-T175 WeakPolarHBondContact O-CB 2.82Å; R171-T175 PolarHBondContact O-N 2.63Å; R171-T175 VanDerWaalsContact O-N 3.09Å; R171-T175 PolarHBondContact O-OG1 2.88Å
172	Q	69.3	Low	69.7	Low	13 Å²	13	80 Å²	80	6%	0.061	40%	0.395	C	S	.	.	H	α-helix	trans	-72.6	-39.4	175.7	-64.5	-169.7	-74.8	0	0	111.9	I168 L169 C170 T175 L176 E243 T246 F247	I168-Q172 HydrophobicContact CG2-CG 4.34Å; I168-Q172 WeakPolarHBondContact O-CG 3.48Å; I168-Q172 PolarHBondContact O-N 3.06Å; I168-Q172 VanDerWaalsContact O-N 3.08Å; L169-Q172 PolarHBondContact O-N 3.42Å; L169-Q172 VanDerWaalsContact O-N 3.16Å; C170-Q172 VanDerWaalsContact C-N 3.26Å; C170-Q172 PolarHBondContact O-N 3.39Å; Q172-T175 PolarHBondContact O-N 3.36Å; Q172-L176 WeakPolarHBondContact O-CB 2.79Å; Q172-L176 WeakPolarHBondContact O-CD1 3.33Å; Q172-L176 VanDerWaalsContact O-CG 3.23Å; Q172-L176 WeakPolarHBondContact O-CG 3.44Å; Q172-L176 PolarHBondContact O-N 2.89Å; Q172-E243 PolarHBondContact NE2-OE2 3.21Å; Q172-T246 VanDerWaalsContact NE2-CB 3.33Å; Q172-T246 VanDerWaalsContact NE2-CG2 3.32Å; Q172-F247 HydrophobicContact CB-CB 4.5Å; Q172-F247 HydrophobicContact CB-CD2 4.2Å
173	V	72.7	Confident	69.4	Low	69 Å²	69	81 Å²	81	42%	0.418	41%	0.405	S	S	.	.	H	α-helix	trans	-61.9	-46.1	172	172.9	0	0	0	0	110.7	L169 C170 T175 L176 Q177 F247	L169-V173 WeakPolarHBondContact O-CG2 3.42Å; L169-V173 PolarHBondContact O-N 2.76Å; C170-V173 PolarHBondContact O-N 2.7Å; C170-V173 VanDerWaalsContact O-N 3.15Å; V173-T175 VanDerWaalsContact C-N 3.25Å; V173-T175 PolarHBondContact O-N 2.82Å; V173-L176 PolarHBondContact O-N 2.9Å; V173-Q177 VanDerWaalsContact O-CB 3.3Å; V173-Q177 WeakPolarHBondContact O-CB 3.3Å; V173-Q177 PolarHBondContact O-N 3.03Å; V173-F247 HydrophobicContact CG2-CD2 4.23Å; V173-F247 HydrophobicContact CG2-CE2 3.56Å; V173-F247 HydrophobicContact CG2-CZ 4.36Å
174	D	70.8	Confident	69.4	Low	108 Å²	108	77.3 Å²	77.3	58%	0.578	40%	0.401	S	S	*	.	H	α-helix	trans	-58.6	-38.7	176.8	-60.7	-31.9	0	0	0	111.7	C170 K178	C170-D174 PolarHBondContact O-N 3.4Å; D174-K178 VanDerWaalsContact O-CB 3.31Å; D174-K178 WeakPolarHBondContact O-CB 3.43Å; D174-K178 PolarHBondContact O-N 2.66Å; D174-K178 VanDerWaalsContact O-N 3.11Å
175	T	70.7	Confident	68.7	Low	51 Å²	51	79.3 Å²	79.3	31%	0.313	41%	0.408	S	S	.	.	H	α-helix	trans	-73	-41.3	178.7	-57.6	0	0	0	0	112.2	R171 Q172 V173 H179 I238	R171-T175 WeakPolarHBondContact O-CB 2.82Å; R171-T175 PolarHBondContact O-N 2.63Å; R171-T175 VanDerWaalsContact O-N 3.09Å; R171-T175 PolarHBondContact O-OG1 2.88Å; Q172-T175 PolarHBondContact O-N 3.36Å; V173-T175 VanDerWaalsContact C-N 3.25Å; V173-T175 PolarHBondContact O-N 2.82Å; T175-H179 PolarHBondContact O-N 3.26Å; T175-H179 VanDerWaalsContact O-N 3.1Å; T175-I238 HydrophobicContact CG2-CG2 4.28Å
176	L	69.5	Low	68.1	Low	21 Å²	21	78.7 Å²	78.7	11%	0.11	42%	0.415	C	S	.	.	H	α-helix	trans	-67.5	-41.5	176.1	-73.5	163.9	0	0	0	111.6	Q172 V173 H179 F180 F240 E243 F247	Q172-L176 WeakPolarHBondContact O-CB 2.79Å; Q172-L176 WeakPolarHBondContact O-CD1 3.33Å; Q172-L176 VanDerWaalsContact O-CG 3.23Å; Q172-L176 WeakPolarHBondContact O-CG 3.44Å; Q172-L176 PolarHBondContact O-N 2.89Å; V173-L176 PolarHBondContact O-N 2.9Å; L176-H179 WeakPolarHBondContact O-CB 3.21Å; L176-H179 PolarHBondContact O-N 3.03Å; L176-F180 VanDerWaalsContact O-CD2 3.28Å; L176-F180 WeakPolarHBondContact O-CD2 3.31Å; L176-F180 PolarHBondContact O-N 2.68Å; L176-F240 HydrophobicContact CD2-CD2 3.52Å; L176-F240 HydrophobicContact CD2-CE2 3.48Å; L176-F240 VanDerWaalsContact CD2-CE2 3.48Å; L176-F240 HydrophobicContact CD2-CG 4.31Å; L176-F240 HydrophobicContact CD2-CZ 4.22Å; L176-E243 HydrophobicContact CD2-CB 4.09Å; L176-E243 HydrophobicContact CG-CB 4.47Å; L176-F247 HydrophobicContact CD1-CB 4.35Å; L176-F247 HydrophobicContact CD1-CD2 4.47Å; L176-F247 HydrophobicContact CD1-CG 4.36Å
177	Q	71.1	Confident	67.4	Low	103 Å²	103	77.2 Å²	77.2	48%	0.481	42%	0.423	S	S	.	.	H	α-helix	trans	-59.6	-51.1	174.6	-175.6	62.4	55.6	0	0	110.3	V173 H179 F180 D181	V173-Q177 VanDerWaalsContact O-CB 3.3Å; V173-Q177 WeakPolarHBondContact O-CB 3.3Å; V173-Q177 PolarHBondContact O-N 3.03Å; Q177-H179 PolarHBondContact O-N 3.24Å; Q177-F180 WeakPolarHBondContact O-CA 3.22Å; Q177-F180 WeakPolarHBondContact O-CB 2.95Å; Q177-F180 PolarHBondContact O-N 3.31Å; Q177-D181 PolarHBondContact NE2-OD1 2.73Å; Q177-D181 PolarHBondContact O-N 2.77Å
178	K	72.4	Confident	66.7	Low	143 Å²	143	79 Å²	79	62%	0.622	44%	0.44	S	S	*	.	H	α-helix	trans	-59.2	-30.1	177.8	-171.2	173.8	-177	177.7	0	113.4	D174 S182	D174-K178 VanDerWaalsContact O-CB 3.31Å; D174-K178 WeakPolarHBondContact O-CB 3.43Å; D174-K178 PolarHBondContact O-N 2.66Å; D174-K178 VanDerWaalsContact O-N 3.11Å; K178-S182 WeakPolarHBondContact O-CB 3.5Å; K178-S182 PolarHBondContact O-N 3.12Å; K178-S182 VanDerWaalsContact O-N 3.14Å; K178-S182 PolarHBondContact O-OG 2.89Å
179	H	67	Low	65.8	Low	55 Å²	55	84.1 Å²	84.1	26%	0.255	46%	0.46	S	S	.	.	H	α-helix	trans	-70.8	-44	171.5	-179.3	-93.7	0	0	0	112.3	T175 L176 Q177 S182 C183 I238 F240	T175-H179 PolarHBondContact O-N 3.26Å; T175-H179 VanDerWaalsContact O-N 3.1Å; L176-H179 WeakPolarHBondContact O-CB 3.21Å; L176-H179 PolarHBondContact O-N 3.03Å; Q177-H179 PolarHBondContact O-N 3.24Å; H179-S182 PolarHBondContact O-N 3.41Å; H179-C183 WeakPolarHBondContact O-CB 3.25Å; H179-C183 PolarHBondContact O-N 2.75Å; H179-I238 HydrophobicContact CB-CD1 4.05Å; H179-I238 HydrophobicContact CB-CG2 4.44Å; H179-F240 AromaticContact CE1-CD2 3.95Å; H179-F240 AromaticContact ND1-CD2 3.41Å; H179-F240 WeakPolarHBondContact ND1-CD2 3.02Å
180	F	68.2	Low	64.8	Low	120 Å²	120	89.6 Å²	89.6	53%	0.526	49%	0.489	S	S	.	.	H	α-helix	trans	-61.4	-44.5	174.3	-81.5	-65.6	0	0	0	112.3	L176 Q177 S182 C183 G184 F240	L176-F180 VanDerWaalsContact O-CD2 3.28Å; L176-F180 WeakPolarHBondContact O-CD2 3.31Å; L176-F180 PolarHBondContact O-N 2.68Å; Q177-F180 WeakPolarHBondContact O-CA 3.22Å; Q177-F180 WeakPolarHBondContact O-CB 2.95Å; Q177-F180 PolarHBondContact O-N 3.31Å; F180-S182 VanDerWaalsContact C-N 3.34Å; F180-S182 PolarHBondContact O-N 2.59Å; F180-C183 PolarHBondContact O-N 3.34Å; F180-C183 VanDerWaalsContact O-N 3.12Å; F180-G184 PolarHBondContact O-N 3.49Å; F180-F240 HydrophobicContact CD2-CE2 4.25Å; F180-F240 HydrophobicContact CE1-CE2 4.42Å; F180-F240 HydrophobicContact CE1-CZ 4.45Å; F180-F240 AromaticContact CE2-CE2 3.56Å; F180-F240 HydrophobicContact CE2-CE2 3.56Å; F180-F240 AromaticContact CE2-CZ 3.81Å; F180-F240 HydrophobicContact CE2-CZ 3.81Å; F180-F240 AromaticContact CZ-CE2 3.66Å; F180-F240 HydrophobicContact CZ-CE2 3.66Å; F180-F240 AromaticContact CZ-CZ 3.55Å; F180-F240 HydrophobicContact CZ-CZ 3.55Å
181	D	71.3	Confident	64	Low	91 Å²	91	95 Å²	95	49%	0.487	51%	0.509	S	S	.	.	H	α-helix	trans	-58.7	-46.6	177	-56.1	-25	0	0	0	110.7	Q177 C183 G184 D185	Q177-D181 PolarHBondContact NE2-OD1 2.73Å; Q177-D181 PolarHBondContact O-N 2.77Å; D181-C183 VanDerWaalsContact C-N 3.3Å; D181-C183 PolarHBondContact O-N 3.3Å; D181-G184 PolarHBondContact O-N 2.63Å; D181-D185 PolarHBondContact O-N 2.76Å
182	S	65	Low	62.9	Low	67 Å²	67	97.1 Å²	97.1	47%	0.469	52%	0.522	S	S	.	.	H	α-helix	trans	-64.9	-31.1	176.6	-55.9	0	0	0	0	113.2	K178 H179 F180 A186	K178-S182 WeakPolarHBondContact O-CB 3.5Å; K178-S182 PolarHBondContact O-N 3.12Å; K178-S182 VanDerWaalsContact O-N 3.14Å; K178-S182 PolarHBondContact O-OG 2.89Å; H179-S182 PolarHBondContact O-N 3.41Å; F180-S182 VanDerWaalsContact C-N 3.34Å; F180-S182 PolarHBondContact O-N 2.59Å; S182-A186 PolarHBondContact O-N 3.15Å
183	C	64.1	Low	62	Low	66 Å²	66	105 Å²	105	45%	0.446	56%	0.559	S	S	.	*	H	α-helix	trans	-75.8	-28.2	177.7	-162.9	0	0	0	0	112.1	H179 F180 D181 A186 V187	H179-C183 WeakPolarHBondContact O-CB 3.25Å; H179-C183 PolarHBondContact O-N 2.75Å; F180-C183 PolarHBondContact O-N 3.34Å; F180-C183 VanDerWaalsContact O-N 3.12Å; D181-C183 VanDerWaalsContact C-N 3.3Å; D181-C183 PolarHBondContact O-N 3.3Å; C183-A186 PolarHBondContact O-N 3.04Å; C183-V187 PolarHBondContact O-N 2.69Å
184	G	64.3	Low	61	Low	47 Å²	47	112.7 Å²	112.7	49%	0.485	58%	0.581	S	S	.	*	H	α-helix	trans	-64	-44.8	170.1	0	0	0	0	0	112.4	F180 D181 A186	F180-G184 PolarHBondContact O-N 3.49Å; D181-G184 PolarHBondContact O-N 2.63Å; G184-A186 VanDerWaalsContact C-N 3.3Å; G184-A186 PolarHBondContact O-N 2.87Å
185	D	57.1	Low	59.7	Low	129 Å²	129	114.8 Å²	114.8	69%	0.69	59%	0.592	S	S	*	*	H	α-helix	trans	-63.2	-33.5	174.5	-91	-7.2	0	0	0	112.7	D181 S188	D181-D185 PolarHBondContact O-N 2.76Å; D185-S188 WeakPolarHBondContact O-CB 3.44Å; D185-S188 PolarHBondContact O-N 2.67Å
186	A	56.7	Low	58.3	Low	52 Å²	52	118.5 Å²	118.5	43%	0.43	62%	0.615	S	S	.	*	H	α-helix	trans	-68	-36.1	-177.1	0	0	0	0	0	113.7	S182 C183 G184 S188 K189	S182-A186 PolarHBondContact O-N 3.15Å; C183-A186 PolarHBondContact O-N 3.04Å; G184-A186 VanDerWaalsContact C-N 3.3Å; G184-A186 PolarHBondContact O-N 2.87Å; A186-S188 PolarHBondContact O-N 2.65Å; A186-K189 PolarHBondContact O-N 2.81Å
187	V	56.3	Low	56.9	Low	118 Å²	118	124 Å²	124	72%	0.715	65%	0.649	S	S	*	*	H	α-helix	trans	-61.9	-23.7	176.4	176.5	0	0	0	0	111.6	C183 K189	C183-V187 PolarHBondContact O-N 2.69Å; V187-K189 PolarHBondContact O-N 2.75Å
188	S	51.8	Low	55.5	Low	100 Å²	100	124.5 Å²	124.5	70%	0.699	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	13.1	178.3	-53.1	0	0	0	0	114.6	D185 A186	D185-S188 WeakPolarHBondContact O-CB 3.44Å; D185-S188 PolarHBondContact O-N 2.67Å; A186-S188 PolarHBondContact O-N 2.65Å
189	K	52.9	Low	54	Low	178 Å²	178	125.2 Å²	125.2	77%	0.774	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.7	-11.3	-177	-87.5	-179.3	176.5	169.4	0	117.1	A186 V187 E191	A186-K189 PolarHBondContact O-N 2.81Å; V187-K189 PolarHBondContact O-N 2.75Å; K189-E191 VanDerWaalsContact C-N 3.26Å; K189-E191 PolarHBondContact O-N 2.74Å
190	D	51.7	Low	52.6	Low	140 Å²	140	131.4 Å²	131.4	75%	0.749	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-79	-7	-173.5	-156.3	44.2	0	0	0	113.9	F192	D190-F192 PolarHBondContact O-N 2.9Å; D190-F192 VanDerWaalsContact O-N 3.11Å
191	E	50.8	Low	51.2	Low	170 Å²	170	133 Å²	133	79%	0.794	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-69.3	-9.5	-175.4	-159.8	167.6	-151.6	0	0	114.2	K189	K189-E191 VanDerWaalsContact C-N 3.26Å; K189-E191 PolarHBondContact O-N 2.74Å
192	F	47.3	Very low	49.8	Very low	198 Å²	198	136.9 Å²	136.9	87%	0.868	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-103.2	8.2	-163.9	-116.7	-85	0	0	0	116.4	D190	D190-F192 PolarHBondContact O-N 2.9Å; D190-F192 VanDerWaalsContact O-N 3.11Å
193	Q	49.3	Very low	48.5	Very low	180 Å²	180	140.8 Å²	140.8	84%	0.841	74%	0.738	S	S	*	*			trans	-136.3	33.1	-164.7	-154.8	153.1	107.2	0	0	115.2
194	R	52.4	Low	47.2	Very low	230 Å²	230	144.7 Å²	144.7	87%	0.868	75%	0.75	S	S	*	*			trans	-102.3	22.1	-171.9	-143.9	-161	-53.9	176.6	5.6	115.8
195	D	44.7	Very low	45.7	Very low	152 Å²	152	151 Å²	151	81%	0.813	76%	0.764	S	S	*	*			trans	-115	151.7	-176.4	-124	-30.8	0	0	0	111.6
196	T	40	Very low	44.5	Very low	129 Å²	129	151.7 Å²	151.7	79%	0.791	77%	0.767	S	S	*	*			trans	84.8	133.3	175.9	-19.5	0	0	0	0	119
197	V	40.5	Very low	43.3	Very low	135 Å²	135	154.6 Å²	154.6	82%	0.818	78%	0.78	S	S	*	*			trans	85.7	134.9	169.5	-165	0	0	0	0	116.6
198	V	42.3	Very low	42.1	Very low	114 Å²	114	154.8 Å²	154.8	69%	0.691	78%	0.781	S	S	*	*			trans	-153.2	175.9	-158.8	-154.7	0	0	0	0	110.7
199	E	39.7	Very low	41.1	Very low	158 Å²	158	156.1 Å²	156.1	74%	0.738	79%	0.786	S	S	*	*			trans	74.5	150.7	173.7	-38.1	-48.9	159.6	0	0	116.2
200	E	38.2	Very low	40	Very low	186 Å²	186	157 Å²	157	87%	0.869	78%	0.784	S	S	*	*			cis	-149.1	171.7	10.2	-142.2	160.1	-150.3	0	0	109.8
201	D	38.8	Very low	39.8	Very low	153 Å²	153	155.6 Å²	155.6	82%	0.818	78%	0.783	S	S	*	*			trans	-83.8	-162	-160.9	-123.8	-52.8	0	0	0	116.6
202	E	42.4	Very low	39	Very low	173 Å²	173	153.2 Å²	153.2	81%	0.808	77%	0.772	S	S	*	*			cis	-151.5	152.9	31	-53.2	169.6	121.7	0	0	114.2
203	D	37.1	Very low	38.3	Very low	149 Å²	149	146.7 Å²	146.7	80%	0.797	76%	0.76	S	S	*	*			trans	41.3	157.6	142.9	-71.7	-25.3	0	0	0	124.5
204	E	37.5	Very low	37.5	Very low	147 Å²	147	146 Å²	146	69%	0.687	76%	0.757	S	S	*	*			cis	-148.7	138.8	2	-150.1	-166.4	150.4	0	0	112.9
205	F	32.3	Very low	36.4	Very low	180 Å²	180	141.6 Å²	141.6	79%	0.789	75%	0.746	S	S	*	*			trans	55.6	-177.6	154	-88.9	160.6	0	0	0	120.1
206	L	32.4	Very low	35.8	Very low	144 Å²	144	141.6 Å²	141.6	75%	0.754	75%	0.746	S	S	*	*			cis	-137.5	-130.9	1.3	-139.8	178.2	0	0	0	111.8
207	T	31.4	Very low	35.3	Very low	113 Å²	113	144.2 Å²	144.2	69%	0.693	75%	0.749	S	S	*	*			trans	-139.2	175.5	-176	67	0	0	0	0	111.7
208	T	30.7	Very low	34.8	Very low	122 Å²	122	144.6 Å²	144.6	75%	0.748	75%	0.746	S	S	*	*			cis	-136.7	-132.2	15.2	-29.7	0	0	0	0	111.6
209	T	31	Very low	34.3	Very low	128 Å²	128	145.5 Å²	145.5	79%	0.785	75%	0.747	S	S	*	*			cis	-158.6	-178.2	11.2	-30.1	0	0	0	0	110.1
210	R	29.1	Very low	33.8	Very low	195 Å²	195	145 Å²	145	74%	0.736	75%	0.75	S	S	*	*			trans	-155.6	-176.3	-177.8	-111.7	-170	170.9	-160.7	4	110.4	E212	R210-E212 VanDerWaalsContact CD-OE2 3.27Å; R210-E212 WeakPolarHBondContact CD-OE2 3.22Å; R210-E212 IonicContact CZ-OE1 2.96Å; R210-E212 IonicContact CZ-OE2 3.26Å; R210-E212 VanDerWaalsContact CZ-OE2 3.26Å; R210-E212 IonicContact NE-OE1 3.36Å; R210-E212 PolarHBondContact NE-OE1 3.41Å; R210-E212 IonicContact NE-OE2 3.44Å; R210-E212 PolarHBondContact NE-OE2 2.86Å; R210-E212 VanDerWaalsContact NH1-CD 3.25Å; R210-E212 IonicContact NH1-OE1 3.08Å; R210-E212 PolarHBondContact NH1-OE1 2.83Å; R210-E212 VanDerWaalsContact NH1-OE1 3.08Å; R210-E212 IonicContact NH1-OE2 2.76Å; R210-E212 PolarHBondContact NH1-OE2 3.44Å; R210-E212 IonicContact NH2-OE1 3.22Å; R210-E212 PolarHBondContact NH2-OE1 2.94Å
211	P	48.7	Very low	33.4	Very low	112 Å²	112	139.4 Å²	139.4	73%	0.727	74%	0.741	S	S	*	*			cis	-117.7	-172.2	2.1	46.8	-34.2	0	0	0	111.2
212	E	32.2	Very low	33.2	Very low	120 Å²	120	136.9 Å²	136.9	56%	0.561	74%	0.736	S	S	*	*			cis	-160.3	-174.2	-12.2	-127.1	23.9	-79.5	0	0	106.7	R210	R210-E212 VanDerWaalsContact CD-OE2 3.27Å; R210-E212 WeakPolarHBondContact CD-OE2 3.22Å; R210-E212 IonicContact CZ-OE1 2.96Å; R210-E212 IonicContact CZ-OE2 3.26Å; R210-E212 VanDerWaalsContact CZ-OE2 3.26Å; R210-E212 IonicContact NE-OE1 3.36Å; R210-E212 PolarHBondContact NE-OE1 3.41Å; R210-E212 IonicContact NE-OE2 3.44Å; R210-E212 PolarHBondContact NE-OE2 2.86Å; R210-E212 VanDerWaalsContact NH1-CD 3.25Å; R210-E212 IonicContact NH1-OE1 3.08Å; R210-E212 PolarHBondContact NH1-OE1 2.83Å; R210-E212 VanDerWaalsContact NH1-OE1 3.08Å; R210-E212 IonicContact NH1-OE2 2.76Å; R210-E212 PolarHBondContact NH1-OE2 3.44Å; R210-E212 IonicContact NH2-OE1 3.22Å; R210-E212 PolarHBondContact NH2-OE1 2.94Å
213	G	33.1	Very low	32.8	Very low	61 Å²	61	136.7 Å²	136.7	63%	0.629	73%	0.732	S	S	*	*			cis	167.1	-154.7	3.7	0	0	0	0	0	115.7
214	E	32	Very low	32.5	Very low	165 Å²	165	135.8 Å²	135.8	77%	0.771	72%	0.723	S	S	*	*			trans	-23.4	151.1	172.7	-68.2	-174.5	-171.4	0	0	121.9
215	H	31.1	Very low	32.3	Very low	137 Å²	137	136.7 Å²	136.7	63%	0.634	73%	0.725	S	S	*	*			cis	-151.2	128.9	17.7	-137.9	97.8	0	0	0	112.5
216	N	30.5	Very low	32.6	Very low	153 Å²	153	136 Å²	136	82%	0.818	73%	0.729	S	S	*	*			trans	158.3	141.8	133.1	-86.6	-48.8	0	0	0	114.1
217	H	30.6	Very low	32.5	Very low	183 Å²	183	138 Å²	138	85%	0.847	73%	0.732	S	S	*	*			trans	-96.3	148.2	179.3	-75.7	-88.7	0	0	0	112.9
218	N	29.4	Very low	33	Very low	144 Å²	144	138 Å²	138	77%	0.77	73%	0.733	S	S	*	*				-152.8	145.7	111.9	-127.1	-29.6	0	0	0	113
219	N	31.6	Very low	33.8	Very low	132 Å²	132	138.4 Å²	138.4	71%	0.706	74%	0.738	S	S	*	*			trans	0.8	122.1	179.5	-61.9	-35.3	0	0	0	120
220	N	30.2	Very low	33.9	Very low	149 Å²	149	137.2 Å²	137.2	80%	0.797	74%	0.741	S	S	*	*				66.7	120.2	61.4	-175.4	53.3	0	0	0	112.7
221	G	29.5	Very low	34.2	Very low	67 Å²	67	133.4 Å²	133.4	69%	0.691	75%	0.745	S	S	*	*			cis	-164.8	-173.6	-0.9	0	0	0	0	0	109.2
222	S	34.7	Very low	34.2	Very low	100 Å²	100	133.6 Å²	133.6	70%	0.699	75%	0.746	S	S	*	*			cis	-156	170.9	10.6	-58.4	0	0	0	0	110.7
223	K	33	Very low	34.5	Very low	170 Å²	170	137.8 Å²	137.8	74%	0.739	76%	0.762	S	S	*	*			trans	26.8	140.5	139.2	-71.8	161.2	158.7	-99.9	0	119.8
224	E	31.8	Very low	34.8	Very low	129 Å²	129	139.8 Å²	139.8	60%	0.603	76%	0.762	S	S	*	*			cis	-162.5	150.1	24.4	-142.8	131.8	-139.5	0	0	113.9
225	K	33.1	Very low	35.4	Very low	166 Å²	166	139.4 Å²	139.4	72%	0.722	76%	0.764	S	S	*	*			trans	34.9	127.3	152.4	-64	173.4	-174.6	-179.1	0	121.8
226	L	38.3	Very low	36.3	Very low	167 Å²	167	140.1 Å²	140.1	87%	0.874	77%	0.772	S	S	*	*			trans	-69.6	150.4	156.1	-87.6	72.5	0	0	0	111.9
227	F	30	Very low	37.2	Very low	186 Å²	186	135.7 Å²	135.7	82%	0.816	76%	0.762	S	S	*	*			trans	-138.8	160.4	148.8	-85.6	-74.4	0	0	0	109.9
228	P	42.4	Very low	38.5	Very low	112 Å²	112	130.5 Å²	130.5	73%	0.727	74%	0.74	S	S	*	*			trans	-90.3	-177.7	-158.1	39.5	-39.6	0	0	0	114.2
229	P	47.2	Very low	40.1	Very low	130 Å²	130	128.4 Å²	128.4	84%	0.844	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-87.6	138	-145	33.8	-36.4	0	0	0	116.2
230	A	33.1	Very low	41.8	Very low	104 Å²	104	125.6 Å²	125.6	86%	0.86	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-96.8	139.2	161.1	0	0	0	0	0	110.9
231	S	36.3	Very low	43.4	Very low	115 Å²	115	125.9 Å²	125.9	80%	0.804	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-92.9	157.8	179	74.8	0	0	0	0	112.3
232	P	47.7	Very low	45.3	Very low	115 Å²	115	123.6 Å²	123.6	75%	0.747	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-93	153.6	-144.1	34.5	-37.7	0	0	0	116.2
233	K	39.4	Very low	47.1	Very low	208 Å²	208	121.5 Å²	121.5	90%	0.904	66%	0.66	S	S	*	*			trans	-106.5	79.9	161.8	-79.2	-176.5	178.1	172.6	0	111.9
234	V	39	Very low	48.8	Very low	104 Å²	104	115.1 Å²	115.1	63%	0.63	64%	0.639	S	S	*	*			trans	19.4	102.3	143.9	-173.7	0	0	0	0	116.8	N236	V234-N236 HydrophobicContact CG1-CB 4.14Å; V234-N236 WeakPolarHBondContact CG1-OD1 3.34Å
235	I	43.8	Very low	50.7	Low	157 Å²	157	113.8 Å²	113.8	81%	0.805	64%	0.635	S	S	*	*			trans	-94.9	103.8	142.2	-64.3	179.1	0	0	0	106.4
236	N	51.3	Low	52.4	Low	152 Å²	152	109 Å²	109	81%	0.813	62%	0.62	S	S	*	*			trans	-73.9	125.4	168.9	-81.6	-26.9	0	0	0	108.4	V234	V234-N236 HydrophobicContact CG1-CB 4.14Å; V234-N236 WeakPolarHBondContact CG1-OD1 3.34Å
237	G	49.6	Very low	54.1	Low	59 Å²	59	104.2 Å²	104.2	61%	0.608	59%	0.592	S	S	*	*			cis	160.3	75.1	-1.5	0	0	0	0	0	110.8	D239	G237-D239 PolarHBondContact O-N 3.44Å; G237-D239 VanDerWaalsContact O-N 3.13Å
238	I	56.9	Low	56.1	Low	74 Å²	74	102.9 Å²	102.9	38%	0.379	59%	0.586	S	S	.	*			trans	-62.7	112.7	152.3	-62.5	176.6	0	0	0	103.7	T175 H179 F240	T175-I238 HydrophobicContact CG2-CG2 4.28Å; H179-I238 HydrophobicContact CB-CD1 4.05Å; H179-I238 HydrophobicContact CB-CG2 4.44Å; I238-F240 PolarHBondContact O-N 3.35Å
239	D	63.5	Low	57.5	Low	101 Å²	101	100.3 Å²	100.3	54%	0.54	58%	0.575	S	S	.	*			trans	-71.2	80.7	176.7	-178.6	8.1	0	0	0	108.2	G237 K241 G242 E243	G237-D239 PolarHBondContact O-N 3.44Å; G237-D239 VanDerWaalsContact O-N 3.13Å; D239-K241 PolarHBondContact O-N 2.75Å; D239-K241 VanDerWaalsContact O-N 3.11Å; D239-K241 WeakPolarHBondContact OD1-CB 2.97Å; D239-K241 PolarHBondContact OD1-N 3.05Å; D239-G242 CarbonylContact O-C 3.48Å; D239-G242 WeakPolarHBondContact O-CA 3.21Å; D239-G242 PolarHBondContact O-N 2.77Å; D239-G242 PolarHBondContact OD1-N 2.78Å; D239-G242 WeakPolarHBondContact OD2-CA 3.48Å; D239-G242 PolarHBondContact OD2-N 3.42Å; D239-E243 PolarHBondContact O-N 3.03Å
240	F	66.6	Low	58.8	Low	73 Å²	73	95 Å²	95	32%	0.32	54%	0.539	S	S	.	.	H	α-helix	trans	-55.1	-29.9	178.7	-178.4	-87.4	0	0	0	111.2	L176 H179 F180 I238 A244	L176-F240 HydrophobicContact CD2-CD2 3.52Å; L176-F240 HydrophobicContact CD2-CE2 3.48Å; L176-F240 VanDerWaalsContact CD2-CE2 3.48Å; L176-F240 HydrophobicContact CD2-CG 4.31Å; L176-F240 HydrophobicContact CD2-CZ 4.22Å; H179-F240 AromaticContact CE1-CD2 3.95Å; H179-F240 AromaticContact ND1-CD2 3.41Å; H179-F240 WeakPolarHBondContact ND1-CD2 3.02Å; F180-F240 HydrophobicContact CD2-CE2 4.25Å; F180-F240 HydrophobicContact CE1-CE2 4.42Å; F180-F240 HydrophobicContact CE1-CZ 4.45Å; F180-F240 AromaticContact CE2-CE2 3.56Å; F180-F240 HydrophobicContact CE2-CE2 3.56Å; F180-F240 AromaticContact CE2-CZ 3.81Å; F180-F240 HydrophobicContact CE2-CZ 3.81Å; F180-F240 AromaticContact CZ-CE2 3.66Å; F180-F240 HydrophobicContact CZ-CE2 3.66Å; F180-F240 AromaticContact CZ-CZ 3.55Å; F180-F240 HydrophobicContact CZ-CZ 3.55Å; I238-F240 PolarHBondContact O-N 3.35Å; F240-A244 WeakPolarHBondContact O-CB 3.06Å; F240-A244 PolarHBondContact O-N 3.07Å
241	K	64.1	Low	60.6	Low	154 Å²	154	92 Å²	92	67%	0.67	51%	0.51	S	S	*	.	H	α-helix	trans	-73.5	-45.7	175.6	-170.9	178.1	-179.9	-179.6	0	110.7	D239 A244 I245	D239-K241 PolarHBondContact O-N 2.75Å; D239-K241 VanDerWaalsContact O-N 3.11Å; D239-K241 WeakPolarHBondContact OD1-CB 2.97Å; D239-K241 PolarHBondContact OD1-N 3.05Å; K241-A244 PolarHBondContact O-N 3.18Å; K241-I245 HydrophobicContact CG-CD1 3.99Å; K241-I245 VanDerWaalsContact O-CB 3.25Å; K241-I245 WeakPolarHBondContact O-CB 3.46Å; K241-I245 WeakPolarHBondContact O-CD1 3.32Å; K241-I245 WeakPolarHBondContact O-CG1 3.34Å; K241-I245 PolarHBondContact O-N 3.39Å
242	G	69.4	Low	62.2	Low	19 Å²	19	89.1 Å²	89.1	20%	0.196	49%	0.494	C	S	.	.	H	α-helix	trans	-62.6	-43.6	173.7	0	0	0	0	0	113.6	D239 I245 T246	D239-G242 CarbonylContact O-C 3.48Å; D239-G242 WeakPolarHBondContact O-CA 3.21Å; D239-G242 PolarHBondContact O-N 2.77Å; D239-G242 PolarHBondContact OD1-N 2.78Å; D239-G242 WeakPolarHBondContact OD2-CA 3.48Å; D239-G242 PolarHBondContact OD2-N 3.42Å; G242-I245 PolarHBondContact O-N 3.08Å; G242-T246 VanDerWaalsContact O-CB 3.29Å; G242-T246 WeakPolarHBondContact O-CB 3.09Å; G242-T246 PolarHBondContact O-N 3.27Å; G242-T246 PolarHBondContact O-OG1 3.44Å
243	E	73	Confident	63.4	Low	57 Å²	57	84.5 Å²	84.5	27%	0.266	47%	0.467	S	S	.	.	H	α-helix	trans	-68.5	-42.4	174.6	-75.3	-68.8	-175.2	0	0	111.5	Q172 L176 D239 I245 T246 F247	Q172-E243 PolarHBondContact NE2-OE2 3.21Å; L176-E243 HydrophobicContact CD2-CB 4.09Å; L176-E243 HydrophobicContact CG-CB 4.47Å; D239-E243 PolarHBondContact O-N 3.03Å; E243-I245 VanDerWaalsContact C-N 3.34Å; E243-I245 PolarHBondContact O-N 3.43Å; E243-T246 PolarHBondContact O-N 2.99Å; E243-F247 WeakPolarHBondContact O-CB 3.46Å; E243-F247 PolarHBondContact O-N 2.73Å
244	A	68.2	Low	65.3	Low	36 Å²	36	75.8 Å²	75.8	30%	0.298	43%	0.43	S	S	.	.	H	α-helix	trans	-65.4	-35.8	173.6	0	0	0	0	0	112.6	F240 K241 K248	F240-A244 WeakPolarHBondContact O-CB 3.06Å; F240-A244 PolarHBondContact O-N 3.07Å; K241-A244 PolarHBondContact O-N 3.18Å; A244-K248 WeakPolarHBondContact O-CB 3.39Å; A244-K248 PolarHBondContact O-N 3.01Å
245	I	71	Confident	66.8	Low	100 Å²	100	75.7 Å²	75.7	51%	0.513	43%	0.426	S	S	.	.	H	α-helix	trans	-65.5	-43.3	172.5	-75.9	165.3	0	0	0	110.5	K241 G242 E243 K248 A249	K241-I245 HydrophobicContact CG-CD1 3.99Å; K241-I245 VanDerWaalsContact O-CB 3.25Å; K241-I245 WeakPolarHBondContact O-CB 3.46Å; K241-I245 WeakPolarHBondContact O-CD1 3.32Å; K241-I245 WeakPolarHBondContact O-CG1 3.34Å; K241-I245 PolarHBondContact O-N 3.39Å; G242-I245 PolarHBondContact O-N 3.08Å; E243-I245 VanDerWaalsContact C-N 3.34Å; E243-I245 PolarHBondContact O-N 3.43Å; I245-K248 PolarHBondContact O-N 2.63Å; I245-A249 WeakPolarHBondContact O-CB 3.45Å; I245-A249 PolarHBondContact O-N 3.23Å
246	T	70.4	Confident	68.3	Low	65 Å²	65	72.1 Å²	72.1	40%	0.399	42%	0.415	S	S	.	.	H	α-helix	trans	-75.1	-39	-177.4	-54.3	0	0	0	0	111.2	Q172 G242 E243 K248 A249 T250	Q172-T246 VanDerWaalsContact NE2-CB 3.33Å; Q172-T246 VanDerWaalsContact NE2-CG2 3.32Å; G242-T246 VanDerWaalsContact O-CB 3.29Å; G242-T246 WeakPolarHBondContact O-CB 3.09Å; G242-T246 PolarHBondContact O-N 3.27Å; G242-T246 PolarHBondContact O-OG1 3.44Å; E243-T246 PolarHBondContact O-N 2.99Å; T246-K248 VanDerWaalsContact C-N 3.34Å; T246-K248 PolarHBondContact O-N 3.5Å; T246-A249 PolarHBondContact O-N 2.65Å; T246-T250 WeakPolarHBondContact O-CB 3.42Å; T246-T250 PolarHBondContact O-N 3.48Å; T246-T250 PolarHBondContact O-OG1 3.13Å
247	F	74	Confident	69.6	Low	68 Å²	68	65.5 Å²	65.5	30%	0.298	38%	0.38	S	S	.	.	H	α-helix	trans	-58	-45.2	168.3	175.9	-90.8	0	0	0	111	L169 Q172 V173 L176 E243 A249 T251	L169-F247 HydrophobicContact CB-CE2 4.39Å; L169-F247 HydrophobicContact CD1-CE2 4.41Å; L169-F247 HydrophobicContact CD2-CD2 3.58Å; L169-F247 HydrophobicContact CD2-CE2 3.82Å; L169-F247 HydrophobicContact CD2-CG 4.21Å; L169-F247 HydrophobicContact CG-CE2 4.45Å; Q172-F247 HydrophobicContact CB-CB 4.5Å; Q172-F247 HydrophobicContact CB-CD2 4.2Å; V173-F247 HydrophobicContact CG2-CD2 4.23Å; V173-F247 HydrophobicContact CG2-CE2 3.56Å; V173-F247 HydrophobicContact CG2-CZ 4.36Å; L176-F247 HydrophobicContact CD1-CB 4.35Å; L176-F247 HydrophobicContact CD1-CD2 4.47Å; L176-F247 HydrophobicContact CD1-CG 4.36Å; E243-F247 WeakPolarHBondContact O-CB 3.46Å; E243-F247 PolarHBondContact O-N 2.73Å; F247-A249 PolarHBondContact O-N 3.31Å; F247-T251 WeakPolarHBondContact O-CB 3.45Å; F247-T251 PolarHBondContact O-N 3.41Å; F247-T251 PolarHBondContact O-OG1 3.16Å
248	K	71.1	Confident	70.7	Confident	157 Å²	157	66 Å²	66	68%	0.683	37%	0.368	S	S	*	.	H	α-helix	trans	-62.4	-40.8	174.3	-178.8	177.8	-179.9	178.4	0	112.1	A244 I245 T246 A252	A244-K248 WeakPolarHBondContact O-CB 3.39Å; A244-K248 PolarHBondContact O-N 3.01Å; I245-K248 PolarHBondContact O-N 2.63Å; T246-K248 VanDerWaalsContact C-N 3.34Å; T246-K248 PolarHBondContact O-N 3.5Å; K248-A252 VanDerWaalsContact O-CB 3.32Å; K248-A252 WeakPolarHBondContact O-CB 3.3Å; K248-A252 PolarHBondContact O-N 3.02Å
249	A	71.9	Confident	71.4	Confident	59 Å²	59	65.6 Å²	65.6	49%	0.488	37%	0.372	S	S	.	.	H	α-helix	trans	-67.9	-46.4	177.7	0	0	0	0	0	112.2	I245 T246 F247 A252 G253	I245-A249 WeakPolarHBondContact O-CB 3.45Å; I245-A249 PolarHBondContact O-N 3.23Å; T246-A249 PolarHBondContact O-N 2.65Å; F247-A249 PolarHBondContact O-N 3.31Å; A249-A252 PolarHBondContact O-N 3.44Å; A249-G253 PolarHBondContact O-N 3.4Å
250	T	75	Confident	72.1	Confident	17 Å²	17	64 Å²	64	10%	0.104	36%	0.361	C	S	.	.	H	α-helix	trans	-65.8	-38.2	176.5	-56.2	0	0	0	0	111.3	F165 I168 L169 T246 G253 I254	F165-T250 HydrophobicContact CB-CG2 3.91Å; F165-T250 HydrophobicContact CD1-CG2 4.22Å; F165-T250 HydrophobicContact CG-CG2 4.39Å; F165-T250 WeakPolarHBondContact O-CG2 3.45Å; I168-T250 HydrophobicContact CB-CG2 4.12Å; I168-T250 HydrophobicContact CG2-CG2 3.97Å; L169-T250 HydrophobicContact CD2-CG2 3.56Å; L169-T250 HydrophobicContact CG-CG2 3.82Å; T246-T250 WeakPolarHBondContact O-CB 3.42Å; T246-T250 PolarHBondContact O-N 3.48Å; T246-T250 PolarHBondContact O-OG1 3.13Å; T250-G253 WeakPolarHBondContact O-CA 3.48Å; T250-G253 PolarHBondContact O-N 2.88Å; T250-I254 PolarHBondContact O-N 2.71Å
251	T	71.2	Confident	72.6	Confident	41 Å²	41	61 Å²	61	25%	0.252	35%	0.349	S	S	.	.	H	α-helix	trans	-64.8	-43.2	173.3	-58.2	0	0	0	0	111	L169 F247 G253 I254 L255	L169-T251 WeakPolarHBondContact CD1-OG1 3.49Å; L169-T251 WeakPolarHBondContact CD2-OG1 3.28Å; F247-T251 WeakPolarHBondContact O-CB 3.45Å; F247-T251 PolarHBondContact O-N 3.41Å; F247-T251 PolarHBondContact O-OG1 3.16Å; T251-G253 VanDerWaalsContact C-N 3.29Å; T251-G253 PolarHBondContact O-N 3.45Å; T251-I254 PolarHBondContact O-N 3.28Å; T251-L255 HydrophobicContact CG2-CD1 4.18Å; T251-L255 VanDerWaalsContact O-CG 3.32Å; T251-L255 WeakPolarHBondContact O-CG 3.3Å; T251-L255 PolarHBondContact O-N 3.46Å
252	A	69.7	Low	73.1	Confident	55 Å²	55	58.4 Å²	58.4	46%	0.455	34%	0.342	S	S	.	.	H	α-helix	trans	-62.9	-35.5	172.6	0	0	0	0	0	112.2	K248 A249 L255 S256	K248-A252 VanDerWaalsContact O-CB 3.32Å; K248-A252 WeakPolarHBondContact O-CB 3.3Å; K248-A252 PolarHBondContact O-N 3.02Å; A249-A252 PolarHBondContact O-N 3.44Å; A252-L255 PolarHBondContact O-N 3.45Å; A252-S256 WeakPolarHBondContact O-CB 3.4Å; A252-S256 PolarHBondContact O-N 3.47Å
253	G	72.7	Confident	73.4	Confident	19 Å²	19	61.5 Å²	61.5	20%	0.196	35%	0.351	C	S	.	.	H	α-helix	trans	-61.1	-47.8	171.5	0	0	0	0	0	112.8	A249 T250 T251 S256 T257	A249-G253 PolarHBondContact O-N 3.4Å; T250-G253 WeakPolarHBondContact O-CA 3.48Å; T250-G253 PolarHBondContact O-N 2.88Å; T251-G253 VanDerWaalsContact C-N 3.29Å; T251-G253 PolarHBondContact O-N 3.45Å; G253-S256 PolarHBondContact O-N 2.9Å; G253-T257 PolarHBondContact O-N 2.9Å; G253-T257 PolarHBondContact O-OG1 2.82Å
254	I	78.5	Confident	73.7	Confident	25 Å²	25	61 Å²	61	13%	0.128	35%	0.35	C	S	.	.	H	α-helix	trans	-60.4	-46.5	173.9	-74	161.3	0	0	0	111.2	M162 F165 L169 T250 T251 S256 T257 L258	M162-I254 HydrophobicContact CG-CG2 4.28Å; F165-I254 HydrophobicContact CB-CD1 3.65Å; F165-I254 HydrophobicContact CB-CG1 3.34Å; F165-I254 HydrophobicContact CD2-CG1 4.09Å; F165-I254 HydrophobicContact CG-CG1 4.14Å; L169-I254 HydrophobicContact CD1-CD1 3.39Å; L169-I254 HydrophobicContact CG-CD1 3.79Å; T250-I254 PolarHBondContact O-N 2.71Å; T251-I254 PolarHBondContact O-N 3.28Å; I254-S256 VanDerWaalsContact C-N 3.33Å; I254-S256 PolarHBondContact O-N 3.07Å; I254-T257 PolarHBondContact O-N 2.95Å; I254-L258 HydrophobicContact CG2-CD1 3.76Å; I254-L258 HydrophobicContact CG2-CG 4.26Å; I254-L258 WeakPolarHBondContact O-CB 3.29Å; I254-L258 WeakPolarHBondContact O-CG 3.23Å; I254-L258 PolarHBondContact O-N 3.45Å
255	L	70.3	Confident	74	Confident	102 Å²	102	64.7 Å²	64.7	53%	0.534	36%	0.362	S	S	.	.	H	α-helix	trans	-60.7	-42.9	178.1	-70.6	168.5	0	0	0	111.1	T251 A252 L258 S259	T251-L255 HydrophobicContact CG2-CD1 4.18Å; T251-L255 VanDerWaalsContact O-CG 3.32Å; T251-L255 WeakPolarHBondContact O-CG 3.3Å; T251-L255 PolarHBondContact O-N 3.46Å; A252-L255 PolarHBondContact O-N 3.45Å; L255-L258 PolarHBondContact O-N 2.9Å; L255-S259 WeakPolarHBondContact O-CB 3.33Å; L255-S259 PolarHBondContact O-N 2.89Å; L255-S259 PolarHBondContact O-OG 2.93Å; L255-S259 VanDerWaalsContact O-OG 3.07Å
256	S	75.4	Confident	74.2	Confident	81 Å²	81	63.5 Å²	63.5	57%	0.566	36%	0.359	S	S	*	.	H	α-helix	trans	-63.8	-40.7	174.9	-170.4	0	0	0	0	112.8	A252 G253 I254 H260	A252-S256 WeakPolarHBondContact O-CB 3.4Å; A252-S256 PolarHBondContact O-N 3.47Å; G253-S256 PolarHBondContact O-N 2.9Å; I254-S256 VanDerWaalsContact C-N 3.33Å; I254-S256 PolarHBondContact O-N 3.07Å; S256-H260 PolarHBondContact O-N 3.21Å
257	T	78.3	Confident	74.6	Confident	14 Å²	14	65.5 Å²	65.5	9%	0.086	36%	0.363	C	S	.	.	H	α-helix	trans	-71.2	-38	177.7	-67.9	0	0	0	0	111.6	K158 M162 G253 I254 H260 C261	K158-T257 HydrophobicContact CB-CG2 4.17Å; K158-T257 HydrophobicContact CD-CG2 4.21Å; K158-T257 WeakPolarHBondContact O-CG2 3.19Å; M162-T257 HydrophobicContact CB-CG2 4.03Å; G253-T257 PolarHBondContact O-N 2.9Å; G253-T257 PolarHBondContact O-OG1 2.82Å; I254-T257 PolarHBondContact O-N 2.95Å; T257-H260 PolarHBondContact O-N 2.72Å; T257-C261 WeakPolarHBondContact O-CB 3.1Å; T257-C261 PolarHBondContact O-N 3.28Å; T257-C261 PolarHBondContact O-SG 3.38Å; T257-C261 VanDerWaalsContact O-SG 3.34Å
258	L	74	Confident	74.8	Confident	68 Å²	68	69.2 Å²	69.2	36%	0.356	37%	0.374	S	S	.	.	H	α-helix	trans	-60	-49.3	170.3	-82.7	169.8	0	0	0	111.2	M162 I254 L255 H260 C261 I262	M162-L258 HydrophobicContact CE-CD2 4.43Å; M162-L258 HydrophobicContact SD-CD1 4.48Å; M162-L258 HydrophobicContact SD-CD2 3.39Å; M162-L258 WeakPolarHBondContact SD-CD2 2.99Å; M162-L258 HydrophobicContact SD-CG 3.63Å; I254-L258 HydrophobicContact CG2-CD1 3.76Å; I254-L258 HydrophobicContact CG2-CG 4.26Å; I254-L258 WeakPolarHBondContact O-CB 3.29Å; I254-L258 WeakPolarHBondContact O-CG 3.23Å; I254-L258 PolarHBondContact O-N 3.45Å; L255-L258 PolarHBondContact O-N 2.9Å; L258-H260 VanDerWaalsContact C-N 3.27Å; L258-H260 PolarHBondContact O-N 2.72Å; L258-C261 WeakPolarHBondContact O-CB 3.42Å; L258-C261 PolarHBondContact O-N 2.79Å; L258-C261 VanDerWaalsContact O-N 3.16Å; L258-I262 WeakPolarHBondContact O-CB 3.24Å; L258-I262 VanDerWaalsContact O-CG1 3.28Å; L258-I262 WeakPolarHBondContact O-CG1 3.27Å; L258-I262 PolarHBondContact O-N 2.85Å
259	S	71.1	Confident	75.1	Confident	67 Å²	67	68 Å²	68	47%	0.469	37%	0.371	S	S	.	.	H	α-helix	trans	-56	-42	175	-66.2	0	0	0	0	111.6	L255 I262 E263	L255-S259 WeakPolarHBondContact O-CB 3.33Å; L255-S259 PolarHBondContact O-N 2.89Å; L255-S259 PolarHBondContact O-OG 2.93Å; L255-S259 VanDerWaalsContact O-OG 3.07Å; S259-I262 PolarHBondContact O-N 2.9Å; S259-E263 PolarHBondContact O-N 3.37Å
260	H	77.9	Confident	75.4	Confident	68 Å²	68	68.8 Å²	68.8	32%	0.315	37%	0.367	S	S	.	.	H	α-helix	trans	-72.5	-34.1	177.4	-163.4	63.7	0	0	0	113.6	S256 T257 L258 E263 L264	S256-H260 PolarHBondContact O-N 3.21Å; T257-H260 PolarHBondContact O-N 2.72Å; L258-H260 VanDerWaalsContact C-N 3.27Å; L258-H260 PolarHBondContact O-N 2.72Å; H260-E263 IonicContact CE1-OE2 2.68Å; H260-E263 IonicContact ND1-OE2 2.85Å; H260-E263 WeakPolarHBondContact O-CB 3.12Å; H260-E263 PolarHBondContact O-N 3.32Å; H260-L264 WeakPolarHBondContact O-CB 3.25Å; H260-L264 VanDerWaalsContact O-CG 3.28Å; H260-L264 WeakPolarHBondContact O-CG 3.21Å; H260-L264 PolarHBondContact O-N 3.06Å
261	C	78.4	Confident	75.5	Confident	8 Å²	8	70 Å²	70	5%	0.054	38%	0.376	C	S	.	.	H	α-helix	trans	-62.7	-42.7	170.1	-75.8	0	0	0	0	111.3	L155 T257 L258 L264 M265	L155-C261 HydrophobicContact CD1-CB 3.85Å; T257-C261 WeakPolarHBondContact O-CB 3.1Å; T257-C261 PolarHBondContact O-N 3.28Å; T257-C261 PolarHBondContact O-SG 3.38Å; T257-C261 VanDerWaalsContact O-SG 3.34Å; L258-C261 WeakPolarHBondContact O-CB 3.42Å; L258-C261 PolarHBondContact O-N 2.79Å; L258-C261 VanDerWaalsContact O-N 3.16Å; C261-L264 PolarHBondContact O-N 3.05Å; C261-M265 WeakPolarHBondContact O-CG 3.27Å; C261-M265 PolarHBondContact O-N 3.4Å
262	I	74.3	Confident	75.8	Confident	101 Å²	101	74.5 Å²	74.5	52%	0.518	39%	0.389	S	S	.	.	H	α-helix	trans	-62.3	-47.2	174	-68.1	163.1	0	0	0	110	L258 S259 L264 M265 V266	L258-I262 WeakPolarHBondContact O-CB 3.24Å; L258-I262 VanDerWaalsContact O-CG1 3.28Å; L258-I262 WeakPolarHBondContact O-CG1 3.27Å; L258-I262 PolarHBondContact O-N 2.85Å; S259-I262 PolarHBondContact O-N 2.9Å; I262-L264 VanDerWaalsContact C-N 3.29Å; I262-L264 PolarHBondContact O-N 2.8Å; I262-M265 PolarHBondContact O-N 2.89Å; I262-M265 VanDerWaalsContact O-N 3.13Å; I262-V266 HydrophobicContact CG2-CG2 4.29Å; I262-V266 WeakPolarHBondContact O-CG2 3.45Å; I262-V266 PolarHBondContact O-N 2.84Å
263	E	74.5	Confident	76.2	Confident	84 Å²	84	76.1 Å²	76.1	39%	0.393	39%	0.387	S	S	.	.	H	α-helix	trans	-55.1	-42.8	172.8	-80.1	-177.5	-140.8	0	0	112.6	S259 H260 M265 V266 K267	S259-E263 PolarHBondContact O-N 3.37Å; H260-E263 IonicContact CE1-OE2 2.68Å; H260-E263 IonicContact ND1-OE2 2.85Å; H260-E263 WeakPolarHBondContact O-CB 3.12Å; H260-E263 PolarHBondContact O-N 3.32Å; E263-M265 VanDerWaalsContact C-N 3.33Å; E263-V266 PolarHBondContact O-N 2.99Å; E263-K267 HydrophobicContact CB-CD 4.49Å; E263-K267 WeakPolarHBondContact O-CB 3.38Å; E263-K267 VanDerWaalsContact O-CD 3.31Å; E263-K267 WeakPolarHBondContact O-CD 3.31Å; E263-K267 WeakPolarHBondContact O-CG 3.41Å; E263-K267 PolarHBondContact O-N 2.85Å; E263-K267 IonicContact OE2-NZ 2.64Å; E263-K267 PolarHBondContact OE2-NZ 3.38Å
264	L	80.1	Confident	76.8	Confident	46 Å²	46	80.6 Å²	80.6	24%	0.241	40%	0.401	C	S	.	.	H	α-helix	trans	-69.7	-31.7	179.6	-73	173	0	0	0	112.1	L155 H260 C261 I262 R268	L155-L264 HydrophobicContact CD1-CB 4.25Å; L155-L264 HydrophobicContact CD1-CD1 4.38Å; H260-L264 WeakPolarHBondContact O-CB 3.25Å; H260-L264 VanDerWaalsContact O-CG 3.28Å; H260-L264 WeakPolarHBondContact O-CG 3.21Å; H260-L264 PolarHBondContact O-N 3.06Å; C261-L264 PolarHBondContact O-N 3.05Å; I262-L264 VanDerWaalsContact C-N 3.29Å; I262-L264 PolarHBondContact O-N 2.8Å; L264-R268 WeakPolarHBondContact O-CB 3.04Å; L264-R268 PolarHBondContact O-N 2.84Å; L264-R268 VanDerWaalsContact O-N 3.14Å
265	M	74.8	Confident	76.8	Confident	114 Å²	114	84.9 Å²	84.9	56%	0.562	42%	0.416	S	S	*	.	H	α-helix	trans	-70.9	-47.9	171.4	-73.6	179.2	61.4	0	0	111.4	L155 C261 I262 E263 K267 R268 E269	L155-M265 HydrophobicContact CD2-CG 4.25Å; C261-M265 WeakPolarHBondContact O-CG 3.27Å; C261-M265 PolarHBondContact O-N 3.4Å; I262-M265 PolarHBondContact O-N 2.89Å; I262-M265 VanDerWaalsContact O-N 3.13Å; E263-M265 VanDerWaalsContact C-N 3.33Å; M265-K267 PolarHBondContact O-N 2.83Å; M265-R268 CarbonylContact O-C 3.28Å; M265-R268 WeakPolarHBondContact O-CA 3.5Å; M265-R268 WeakPolarHBondContact O-CB 3.43Å; M265-R268 PolarHBondContact O-N 3.03Å; M265-E269 WeakPolarHBondContact O-CB 3.48Å; M265-E269 PolarHBondContact O-N 2.81Å
266	V	74.8	Confident	77.1	Confident	74 Å²	74	84.3 Å²	84.3	45%	0.448	41%	0.413	S	S	.	.	H	α-helix	trans	-58.2	-47.9	173.7	172.3	0	0	0	0	110.4	I262 E263 R268 E269 D270	I262-V266 HydrophobicContact CG2-CG2 4.29Å; I262-V266 WeakPolarHBondContact O-CG2 3.45Å; I262-V266 PolarHBondContact O-N 2.84Å; E263-V266 PolarHBondContact O-N 2.99Å; V266-R268 PolarHBondContact O-N 3.33Å; V266-R268 VanDerWaalsContact O-N 3.11Å; V266-E269 PolarHBondContact O-N 3.25Å; V266-E269 VanDerWaalsContact O-N 3.15Å; V266-D270 WeakPolarHBondContact O-CB 3.29Å; V266-D270 PolarHBondContact O-N 3.48Å
267	K	78.6	Confident	77.5	Confident	108 Å²	108	83.7 Å²	83.7	47%	0.47	40%	0.403	S	S	.	.	H	α-helix	trans	-64.1	-15.9	175.4	-70.9	161.8	-174.8	168.2	0	113.7	E263 M265 S271	E263-K267 HydrophobicContact CB-CD 4.49Å; E263-K267 WeakPolarHBondContact O-CB 3.38Å; E263-K267 VanDerWaalsContact O-CD 3.31Å; E263-K267 WeakPolarHBondContact O-CD 3.31Å; E263-K267 WeakPolarHBondContact O-CG 3.41Å; E263-K267 PolarHBondContact O-N 2.85Å; E263-K267 IonicContact OE2-NZ 2.64Å; E263-K267 PolarHBondContact OE2-NZ 3.38Å; M265-K267 PolarHBondContact O-N 2.83Å; K267-S271 WeakPolarHBondContact O-CB 3.33Å
268	R	78.7	Confident	77.8	Confident	145 Å²	145	90 Å²	90	55%	0.547	43%	0.429	S	S	.	.	H	α-helix	trans	-88.7	-43.8	171.8	175.4	-177.6	176.2	112.8	-1.2	111	L264 M265 V266 S271 W272	L264-R268 WeakPolarHBondContact O-CB 3.04Å; L264-R268 PolarHBondContact O-N 2.84Å; L264-R268 VanDerWaalsContact O-N 3.14Å; M265-R268 CarbonylContact O-C 3.28Å; M265-R268 WeakPolarHBondContact O-CA 3.5Å; M265-R268 WeakPolarHBondContact O-CB 3.43Å; M265-R268 PolarHBondContact O-N 3.03Å; V266-R268 PolarHBondContact O-N 3.33Å; V266-R268 VanDerWaalsContact O-N 3.11Å; R268-S271 CarbonylContact O-C 3.15Å; R268-S271 WeakPolarHBondContact O-CB 3.41Å; R268-S271 PolarHBondContact O-N 3.25Å; R268-W272 PolarHBondContact O-N 2.66Å
269	E	76.9	Confident	78.1	Confident	132 Å²	132	91.9 Å²	91.9	62%	0.617	44%	0.436	S	S	*	.	H	α-helix	trans	-59.9	-51.4	174.4	179.9	168.3	-138.4	0	0	110.8	M265 V266 S271 W272 Q273	M265-E269 WeakPolarHBondContact O-CB 3.48Å; M265-E269 PolarHBondContact O-N 2.81Å; V266-E269 PolarHBondContact O-N 3.25Å; V266-E269 VanDerWaalsContact O-N 3.15Å; E269-S271 PolarHBondContact O-N 2.93Å; E269-W272 CarbonylContact O-C 3.54Å; E269-W272 WeakPolarHBondContact O-CA 3.41Å; E269-W272 WeakPolarHBondContact O-CB 3.25Å; E269-W272 PolarHBondContact O-N 2.87Å; E269-Q273 PolarHBondContact O-N 3.13Å
270	D	78.3	Confident	78.5	Confident	76 Å²	76	93.1 Å²	93.1	41%	0.406	44%	0.437	S	S	.	.	H	α-helix	trans	-53.6	-35.2	171.6	-166.6	58.7	0	0	0	112.3	V266 K274	V266-D270 WeakPolarHBondContact O-CB 3.29Å; V266-D270 PolarHBondContact O-N 3.48Å; D270-K274 VanDerWaalsContact O-CB 3.32Å; D270-K274 WeakPolarHBondContact O-CB 3.43Å; D270-K274 WeakPolarHBondContact O-CD 3.48Å; D270-K274 VanDerWaalsContact O-CG 3.26Å; D270-K274 WeakPolarHBondContact O-CG 3.49Å; D270-K274 PolarHBondContact O-N 3.03Å; D270-K274 IonicContact OD1-NZ 2.61Å; D270-K274 PolarHBondContact OD1-NZ 3.03Å; D270-K274 VanDerWaalsContact OD1-NZ 3.11Å; D270-K274 IonicContact OD2-NZ 2.69Å; D270-K274 PolarHBondContact OD2-NZ 3.05Å
271	S	77.2	Confident	78.9	Confident	42 Å²	42	92.5 Å²	92.5	29%	0.294	43%	0.434	S	S	.	.	H	α-helix	trans	-80.7	-14.5	174.3	-177.2	0	0	0	0	114.4	K267 R268 E269 R275	K267-S271 WeakPolarHBondContact O-CB 3.33Å; R268-S271 CarbonylContact O-C 3.15Å; R268-S271 WeakPolarHBondContact O-CB 3.41Å; R268-S271 PolarHBondContact O-N 3.25Å; E269-S271 PolarHBondContact O-N 2.93Å; S271-R275 WeakPolarHBondContact O-CD 3.48Å; S271-R275 WeakPolarHBondContact O-CG 3.38Å
272	W	76.8	Confident	79.2	Confident	136 Å²	136	96.8 Å²	96.8	52%	0.515	45%	0.452	S	S	.	.	H	α-helix	trans	-91.7	-37.9	169.3	-83.2	109.4	0	0	0	111.2	R268 E269 R275 L276	R268-W272 PolarHBondContact O-N 2.66Å; E269-W272 CarbonylContact O-C 3.54Å; E269-W272 WeakPolarHBondContact O-CA 3.41Å; E269-W272 WeakPolarHBondContact O-CB 3.25Å; E269-W272 PolarHBondContact O-N 2.87Å; W272-R275 CarbonylContact O-C 3.53Å; W272-R275 WeakPolarHBondContact O-CA 3.48Å; W272-R275 WeakPolarHBondContact O-CB 3.4Å; W272-R275 PolarHBondContact O-N 2.9Å; W272-L276 PolarHBondContact O-N 3.29Å
273	Q	79.2	Confident	79.6	Confident	89 Å²	89	99.5 Å²	99.5	42%	0.416	46%	0.456	S	S	.	.	H	α-helix	trans	-56.6	-53.4	169.6	-166.1	59.1	47.5	0	0	109.2	E269 R275 L276 D277	E269-Q273 PolarHBondContact O-N 3.13Å; Q273-R275 CarbonylContact O-C 3.47Å; Q273-R275 PolarHBondContact O-N 3.17Å; Q273-L276 CarbonylContact O-C 3.48Å; Q273-L276 WeakPolarHBondContact O-CA 3.38Å; Q273-L276 WeakPolarHBondContact O-CB 3.4Å; Q273-L276 PolarHBondContact O-N 2.97Å; Q273-D277 PolarHBondContact NE2-OD1 3.35Å; Q273-D277 WeakPolarHBondContact O-CB 3.32Å; Q273-D277 PolarHBondContact O-N 2.98Å; Q273-D277 VanDerWaalsContact O-OD2 3.06Å
274	K	84.2	Confident	80.3	Confident	113 Å²	113	100.7 Å²	100.7	49%	0.491	46%	0.457	S	S	.	.	H	α-helix	trans	-62.1	-5.7	174.5	-71.1	162.5	-175.8	156.8	0	115.6	D270 D277 K278	D270-K274 VanDerWaalsContact O-CB 3.32Å; D270-K274 WeakPolarHBondContact O-CB 3.43Å; D270-K274 WeakPolarHBondContact O-CD 3.48Å; D270-K274 VanDerWaalsContact O-CG 3.26Å; D270-K274 WeakPolarHBondContact O-CG 3.49Å; D270-K274 PolarHBondContact O-N 3.03Å; D270-K274 IonicContact OD1-NZ 2.61Å; D270-K274 PolarHBondContact OD1-NZ 3.03Å; D270-K274 VanDerWaalsContact OD1-NZ 3.11Å; D270-K274 IonicContact OD2-NZ 2.69Å; D270-K274 PolarHBondContact OD2-NZ 3.05Å; K274-D277 PolarHBondContact N-OD2 2.81Å; K274-K278 WeakPolarHBondContact O-CD 3.16Å; K274-K278 WeakPolarHBondContact O-CG 3.35Å
275	R	80.1	Confident	80.6	Confident	115 Å²	115	102.6 Å²	102.6	43%	0.434	46%	0.461	S	S	.	.	H	α-helix	trans	-97.7	-43.9	166.8	-72.8	170.2	174.9	-178.7	-2.1	111.5	S271 W272 Q273 K278 E279	S271-R275 WeakPolarHBondContact O-CD 3.48Å; S271-R275 WeakPolarHBondContact O-CG 3.38Å; W272-R275 CarbonylContact O-C 3.53Å; W272-R275 WeakPolarHBondContact O-CA 3.48Å; W272-R275 WeakPolarHBondContact O-CB 3.4Å; W272-R275 PolarHBondContact O-N 2.9Å; Q273-R275 CarbonylContact O-C 3.47Å; Q273-R275 PolarHBondContact O-N 3.17Å; R275-K278 CarbonylContact O-C 3.48Å; R275-K278 WeakPolarHBondContact O-CB 3.46Å; R275-K278 PolarHBondContact O-N 2.77Å; R275-K278 VanDerWaalsContact O-N 3.13Å; R275-E279 PolarHBondContact O-N 2.98Å
276	L	76.8	Confident	80.8	Confident	89 Å²	89	101.7 Å²	101.7	47%	0.466	46%	0.461	S	S	.	.	H	α-helix	trans	-58.9	-46.7	172.8	-178.9	60	0	0	0	110.3	W272 Q273 K278 E279 L280	W272-L276 PolarHBondContact O-N 3.29Å; Q273-L276 CarbonylContact O-C 3.48Å; Q273-L276 WeakPolarHBondContact O-CA 3.38Å; Q273-L276 WeakPolarHBondContact O-CB 3.4Å; Q273-L276 PolarHBondContact O-N 2.97Å; L276-K278 VanDerWaalsContact C-N 3.26Å; L276-K278 PolarHBondContact O-N 2.79Å; L276-E279 CarbonylContact O-C 3Å; L276-E279 PolarHBondContact O-N 2.9Å; L276-L280 HydrophobicContact CD1-CD1 4.26Å; L276-L280 HydrophobicContact CD1-CG 4.12Å; L276-L280 HydrophobicContact CG-CD1 3.94Å; L276-L280 HydrophobicContact CG-CG 4.26Å; L276-L280 VanDerWaalsContact O-CB 3.3Å; L276-L280 WeakPolarHBondContact O-CB 3.32Å; L276-L280 VanDerWaalsContact O-CG 3.31Å; L276-L280 WeakPolarHBondContact O-CG 3.26Å; L276-L280 PolarHBondContact O-N 3.23Å
277	D	82.9	Confident	80.9	Confident	69 Å²	69	101.6 Å²	101.6	37%	0.369	46%	0.456	S	S	.	.	H	α-helix	trans	-57.4	-37.5	173.1	-53.6	-28.9	0	0	0	111.7	Q273 K274 E281	Q273-D277 PolarHBondContact NE2-OD1 3.35Å; Q273-D277 WeakPolarHBondContact O-CB 3.32Å; Q273-D277 PolarHBondContact O-N 2.98Å; Q273-D277 VanDerWaalsContact O-OD2 3.06Å; K274-D277 PolarHBondContact N-OD2 2.81Å; D277-E281 WeakPolarHBondContact O-CA 3.31Å; D277-E281 WeakPolarHBondContact O-CB 3.36Å; D277-E281 PolarHBondContact O-N 2.98Å
278	K	85.4	Confident	81.2	Confident	147 Å²	147	99.3 Å²	99.3	64%	0.639	45%	0.449	S	S	*	.	H	α-helix	trans	-75.1	-26.8	175.7	-78.7	-175.9	178.1	-168.8	0	113.4	K274 R275 L276 K282	K274-K278 WeakPolarHBondContact O-CD 3.16Å; K274-K278 WeakPolarHBondContact O-CG 3.35Å; R275-K278 CarbonylContact O-C 3.48Å; R275-K278 WeakPolarHBondContact O-CB 3.46Å; R275-K278 PolarHBondContact O-N 2.77Å; R275-K278 VanDerWaalsContact O-N 3.13Å; L276-K278 VanDerWaalsContact C-N 3.26Å; L276-K278 PolarHBondContact O-N 2.79Å; K278-K282 VanDerWaalsContact O-CB 3.28Å; K278-K282 WeakPolarHBondContact O-CB 3.41Å; K278-K282 WeakPolarHBondContact O-CG 3.41Å; K278-K282 PolarHBondContact O-N 3.39Å
279	E	80	Confident	81.1	Confident	106 Å²	106	94.2 Å²	94.2	50%	0.495	44%	0.438	S	S	.	.	H	α-helix	trans	-84.8	-35	176.1	-149.5	62.5	-126.5	0	0	111.3	R275 L276 K282 R283	R275-E279 PolarHBondContact O-N 2.98Å; L276-E279 CarbonylContact O-C 3Å; L276-E279 PolarHBondContact O-N 2.9Å; E279-K282 CarbonylContact O-C 3.6Å; E279-K282 PolarHBondContact O-N 3Å; E279-K282 WeakPolarHBondContact OE1-CE 3.05Å; E279-K282 IonicContact OE1-NZ 3.94Å; E279-K282 PolarHBondContact OE1-NZ 2.78Å; E279-K282 WeakPolarHBondContact OE2-CE 3.36Å; E279-K282 IonicContact OE2-NZ 3.31Å; E279-K282 PolarHBondContact OE2-NZ 2.82Å; E279-R283 WeakPolarHBondContact O-CB 3.3Å; E279-R283 PolarHBondContact O-N 3.28Å
280	L	79.6	Confident	81.1	Confident	94 Å²	94	94.4 Å²	94.4	49%	0.492	43%	0.434	S	S	.	.	H	α-helix	trans	-67	-39.3	167.2	-72.4	175.3	0	0	0	110.7	L276 R283 R284	L276-L280 HydrophobicContact CD1-CD1 4.26Å; L276-L280 HydrophobicContact CD1-CG 4.12Å; L276-L280 HydrophobicContact CG-CD1 3.94Å; L276-L280 HydrophobicContact CG-CG 4.26Å; L276-L280 VanDerWaalsContact O-CB 3.3Å; L276-L280 WeakPolarHBondContact O-CB 3.32Å; L276-L280 VanDerWaalsContact O-CG 3.31Å; L276-L280 WeakPolarHBondContact O-CG 3.26Å; L276-L280 PolarHBondContact O-N 3.23Å; L280-R283 CarbonylContact O-C 3.55Å; L280-R283 PolarHBondContact O-N 3.01Å; L280-R284 VanDerWaalsContact O-CB 3.22Å; L280-R284 WeakPolarHBondContact O-CB 3.47Å; L280-R284 PolarHBondContact O-N 2.72Å
281	E	85.8	Confident	81.2	Confident	54 Å²	54	94.8 Å²	94.8	25%	0.252	43%	0.43	S	S	.	.	H	α-helix	trans	-69.7	-40.3	171.1	174.5	61.8	-175	0	0	110.6	D277 R283 R284 R285	D277-E281 WeakPolarHBondContact O-CA 3.31Å; D277-E281 WeakPolarHBondContact O-CB 3.36Å; D277-E281 PolarHBondContact O-N 2.98Å; E281-R283 PolarHBondContact O-N 2.89Å; E281-R284 CarbonylContact O-C 3.49Å; E281-R284 PolarHBondContact O-N 2.97Å; E281-R284 IonicContact OE1-CZ 3.11Å; E281-R284 IonicContact OE1-NH2 2.95Å; E281-R284 PolarHBondContact OE1-NH2 3.34Å; E281-R284 IonicContact OE2-CZ 2.65Å; E281-R284 VanDerWaalsContact OE2-CZ 3.31Å; E281-R284 IonicContact OE2-NE 3.02Å; E281-R284 PolarHBondContact OE2-NE 3.47Å; E281-R284 IonicContact OE2-NH2 2.73Å; E281-R284 PolarHBondContact OE2-NH2 3.16Å; E281-R285 WeakPolarHBondContact O-CA 3.44Å; E281-R285 WeakPolarHBondContact O-CB 3.48Å; E281-R285 VanDerWaalsContact O-CG 3.23Å; E281-R285 WeakPolarHBondContact O-CG 3.38Å; E281-R285 PolarHBondContact O-N 2.93Å; E281-R285 IonicContact OE1-CZ 2.58Å; E281-R285 IonicContact OE1-NE 3.55Å; E281-R285 PolarHBondContact OE1-NE 3.28Å; E281-R285 IonicContact OE1-NH2 3.93Å; E281-R285 PolarHBondContact OE1-NH2 3.42Å
282	K	84	Confident	81	Confident	99 Å²	99	95.9 Å²	95.9	43%	0.43	44%	0.436	S	S	.	.	H	α-helix	trans	-63.4	-29.7	170.2	-91.5	-171.2	-71.9	140.3	0	112.9	K278 E279 R285 V286	K278-K282 VanDerWaalsContact O-CB 3.28Å; K278-K282 WeakPolarHBondContact O-CB 3.41Å; K278-K282 WeakPolarHBondContact O-CG 3.41Å; K278-K282 PolarHBondContact O-N 3.39Å; E279-K282 CarbonylContact O-C 3.6Å; E279-K282 PolarHBondContact O-N 3Å; E279-K282 WeakPolarHBondContact OE1-CE 3.05Å; E279-K282 IonicContact OE1-NZ 3.94Å; E279-K282 PolarHBondContact OE1-NZ 2.78Å; E279-K282 WeakPolarHBondContact OE2-CE 3.36Å; E279-K282 IonicContact OE2-NZ 3.31Å; E279-K282 PolarHBondContact OE2-NZ 2.82Å; K282-R285 CarbonylContact O-C 3.56Å; K282-R285 VanDerWaalsContact O-CA 3.25Å; K282-R285 WeakPolarHBondContact O-CA 3.43Å; K282-R285 WeakPolarHBondContact O-CB 3.34Å; K282-R285 PolarHBondContact O-N 2.78Å; K282-V286 PolarHBondContact O-N 2.95Å
283	R	82.9	Confident	80.7	Confident	157 Å²	157	91.8 Å²	91.8	59%	0.592	43%	0.432	S	S	*	.	H	α-helix	trans	-78.8	-44.2	174.6	-178.8	177.8	169.6	169.4	0.6	111.5	E279 L280 E281 R285 V286 E287	E279-R283 WeakPolarHBondContact O-CB 3.3Å; E279-R283 PolarHBondContact O-N 3.28Å; L280-R283 CarbonylContact O-C 3.55Å; L280-R283 PolarHBondContact O-N 3.01Å; E281-R283 PolarHBondContact O-N 2.89Å; R283-R285 PolarHBondContact O-N 3.42Å; R283-V286 CarbonylContact O-C 3.5Å; R283-V286 VanDerWaalsContact O-C 3.25Å; R283-V286 WeakPolarHBondContact O-CA 3.22Å; R283-V286 PolarHBondContact O-N 3.19Å; R283-E287 IonicContact CZ-OE1 2.73Å; R283-E287 VanDerWaalsContact CZ-OE1 3.29Å; R283-E287 IonicContact NE-OE1 2.58Å; R283-E287 PolarHBondContact NE-OE1 2.92Å; R283-E287 IonicContact NE-OE2 2.94Å; R283-E287 IonicContact NH2-OE1 2.7Å; R283-E287 PolarHBondContact NH2-OE1 3.47Å; R283-E287 WeakPolarHBondContact O-CA 3.34Å; R283-E287 WeakPolarHBondContact O-CB 3.26Å; R283-E287 WeakPolarHBondContact O-CG 3.18Å; R283-E287 PolarHBondContact O-N 3.24Å
284	R	89.2	Confident	80.2	Confident	109 Å²	109	90.3 Å²	90.3	41%	0.411	43%	0.426	S	S	.	.	H	α-helix	trans	-52.3	-19.6	160.7	-151	-171.7	66.8	62.5	19.6	110.7	L280 E281 E287 D288	L280-R284 VanDerWaalsContact O-CB 3.22Å; L280-R284 WeakPolarHBondContact O-CB 3.47Å; L280-R284 PolarHBondContact O-N 2.72Å; E281-R284 CarbonylContact O-C 3.49Å; E281-R284 PolarHBondContact O-N 2.97Å; E281-R284 IonicContact OE1-CZ 3.11Å; E281-R284 IonicContact OE1-NH2 2.95Å; E281-R284 PolarHBondContact OE1-NH2 3.34Å; E281-R284 IonicContact OE2-CZ 2.65Å; E281-R284 VanDerWaalsContact OE2-CZ 3.31Å; E281-R284 IonicContact OE2-NE 3.02Å; E281-R284 PolarHBondContact OE2-NE 3.47Å; E281-R284 IonicContact OE2-NH2 2.73Å; E281-R284 PolarHBondContact OE2-NH2 3.16Å; R284-E287 CarbonylContact O-C 3.27Å; R284-E287 WeakPolarHBondContact O-CA 3.4Å; R284-E287 PolarHBondContact O-N 3.45Å; R284-D288 IonicContact CZ-OD1 4Å; R284-D288 IonicContact CZ-OD2 2.76Å; R284-D288 IonicContact NH1-OD1 3.51Å; R284-D288 PolarHBondContact NH1-OD1 2.77Å; R284-D288 IonicContact NH1-OD2 2.96Å; R284-D288 PolarHBondContact NH1-OD2 3.07Å; R284-D288 IonicContact NH2-OD2 2.73Å; R284-D288 PolarHBondContact NH2-OD2 3.25Å; R284-D288 WeakPolarHBondContact O-CB 3.45Å; R284-D288 VanDerWaalsContact O-CG 3.23Å; R284-D288 PolarHBondContact O-N 3.21Å
285	R	85.7	Confident	79.3	Confident	87 Å²	87	88.2 Å²	88.2	33%	0.328	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	20.1	171.5	-72.2	-162.1	-132.6	155.9	0.8	116.6	A138 S139 E281 K282 R283 D288	A138-R285 CarbonylContact C-O 3.55Å; A138-R285 CarbonylContact O-C 3.54Å; A138-R285 WeakPolarHBondContact O-CA 3.39Å; A138-R285 WeakPolarHBondContact O-CB 3.34Å; A138-R285 WeakPolarHBondContact O-CG 3.45Å; S139-R285 VanDerWaalsContact CA-O 3.31Å; S139-R285 WeakPolarHBondContact CA-O 3.36Å; S139-R285 WeakPolarHBondContact CB-O 3.46Å; S139-R285 PolarHBondContact N-O 3.49Å; S139-R285 PolarHBondContact OG-O 2.97Å; E281-R285 WeakPolarHBondContact O-CA 3.44Å; E281-R285 WeakPolarHBondContact O-CB 3.48Å; E281-R285 VanDerWaalsContact O-CG 3.23Å; E281-R285 WeakPolarHBondContact O-CG 3.38Å; E281-R285 PolarHBondContact O-N 2.93Å; E281-R285 IonicContact OE1-CZ 2.58Å; E281-R285 IonicContact OE1-NE 3.55Å; E281-R285 PolarHBondContact OE1-NE 3.28Å; E281-R285 IonicContact OE1-NH2 3.93Å; E281-R285 PolarHBondContact OE1-NH2 3.42Å; K282-R285 CarbonylContact O-C 3.56Å; K282-R285 VanDerWaalsContact O-CA 3.25Å; K282-R285 WeakPolarHBondContact O-CA 3.43Å; K282-R285 WeakPolarHBondContact O-CB 3.34Å; K282-R285 PolarHBondContact O-N 2.78Å; R283-R285 PolarHBondContact O-N 3.42Å; R285-D288 HydrophobicContact CG-CB 4.43Å
286	V	78.9	Confident	78.5	Confident	94 Å²	94	88.1 Å²	88.1	57%	0.57	42%	0.424	S	S	*	.	S	Bend	trans	-114.7	15.2	136.2	-169.5	0	0	0	0	107	A137 K282 R283	A137-V286 CarbonylContact C-O 3.59Å; A137-V286 WeakPolarHBondContact CA-O 3.32Å; A137-V286 VanDerWaalsContact N-C 3.29Å; A137-V286 PolarHBondContact N-O 3.18Å; A137-V286 CarbonylContact O-C 3.58Å; K282-V286 PolarHBondContact O-N 2.95Å; R283-V286 CarbonylContact O-C 3.5Å; R283-V286 VanDerWaalsContact O-C 3.25Å; R283-V286 WeakPolarHBondContact O-CA 3.22Å; R283-V286 PolarHBondContact O-N 3.19Å
287	E	77.1	Confident	77.3	Confident	73 Å²	73	89.2 Å²	89.2	34%	0.341	43%	0.43	S	S	.	.	S	Bend	trans	-121.7	10.2	-179.3	-67.7	169.6	-158.1	0	0	112.9	S136 A137 R283 R284	S136-E287 WeakPolarHBondContact CB-O 3.42Å; S136-E287 PolarHBondContact OG-O 3.48Å; A137-E287 WeakPolarHBondContact CB-O 3.2Å; R283-E287 IonicContact CZ-OE1 2.73Å; R283-E287 VanDerWaalsContact CZ-OE1 3.29Å; R283-E287 IonicContact NE-OE1 2.58Å; R283-E287 PolarHBondContact NE-OE1 2.92Å; R283-E287 IonicContact NE-OE2 2.94Å; R283-E287 IonicContact NH2-OE1 2.7Å; R283-E287 PolarHBondContact NH2-OE1 3.47Å; R283-E287 WeakPolarHBondContact O-CA 3.34Å; R283-E287 WeakPolarHBondContact O-CB 3.26Å; R283-E287 WeakPolarHBondContact O-CG 3.18Å; R283-E287 PolarHBondContact O-N 3.24Å; R284-E287 CarbonylContact O-C 3.27Å; R284-E287 WeakPolarHBondContact O-CA 3.4Å; R284-E287 PolarHBondContact O-N 3.45Å
288	D	85	Confident	75.8	Confident	59 Å²	59	92.1 Å²	92.1	32%	0.316	44%	0.439	S	S	.	.	S	Bend	trans	-108.9	-30.8	175.8	-92.1	-13.3	0	0	0	130.9	A138 R284 R285 C292	A138-D288 VanDerWaalsContact CB-C 3.46Å; A138-D288 HydrophobicContact CB-CB 3.62Å; A138-D288 WeakPolarHBondContact O-CB 3.47Å; R284-D288 IonicContact CZ-OD1 4Å; R284-D288 IonicContact CZ-OD2 2.76Å; R284-D288 IonicContact NH1-OD1 3.51Å; R284-D288 PolarHBondContact NH1-OD1 2.77Å; R284-D288 IonicContact NH1-OD2 2.96Å; R284-D288 PolarHBondContact NH1-OD2 3.07Å; R284-D288 IonicContact NH2-OD2 2.73Å; R284-D288 PolarHBondContact NH2-OD2 3.25Å; R284-D288 WeakPolarHBondContact O-CB 3.45Å; R284-D288 VanDerWaalsContact O-CG 3.23Å; R284-D288 PolarHBondContact O-N 3.21Å; R285-D288 HydrophobicContact CG-CB 4.43Å; D288-C292 PolarHBondContact O-SG 3.29Å; D288-C292 VanDerWaalsContact O-SG 3.36Å
289	A	77.9	Confident	74.3	Confident	38 Å²	38	91.6 Å²	91.6	31%	0.314	44%	0.437	S	S	.	.	S	Bend	cis	82.2	-116.8	10.5	0	0	0	0	0	125.9	A137 A138 R291 C292 A293	A137-A289 VanDerWaalsContact CB-CA 3.4Å; A137-A289 CarbonylContact O-C 3.54Å; A138-A289 VanDerWaalsContact CA-CA 3.42Å; A138-A289 HydrophobicContact CB-CB 2.94Å; A289-R291 CarbonylContact O-C 3.55Å; A289-R291 VanDerWaalsContact O-C 3.28Å; A289-R291 PolarHBondContact O-N 3.32Å; A289-C292 PolarHBondContact N-SG 3.38Å; A289-C292 VanDerWaalsContact N-SG 3.41Å; A289-C292 CarbonylContact O-C 3.59Å; A289-C292 WeakPolarHBondContact O-CA 3.43Å; A289-C292 WeakPolarHBondContact O-CB 3.44Å; A289-C292 PolarHBondContact O-N 3.49Å; A289-A293 PolarHBondContact O-N 3.09Å
290	Y	77	Confident	72.7	Confident	136 Å²	136	95.4 Å²	95.4	53%	0.533	45%	0.452	S	S	.	.	H	α-helix	trans	-28.6	-28.3	170.5	175.2	-125.7	0	0	0	117.9	S136 A137 A293 M294	S136-Y290 CarbonylContact O-C 3.55Å; S136-Y290 VanDerWaalsContact O-CB 3.25Å; S136-Y290 WeakPolarHBondContact O-CB 3.33Å; S136-Y290 WeakPolarHBondContact O-CD1 3.24Å; A137-Y290 PolarHBondContact O-N 3.14Å; Y290-A293 CarbonylContact O-C 3.59Å; Y290-A293 PolarHBondContact O-N 2.72Å; Y290-M294 HydrophobicContact CD2-CG 3.81Å; Y290-M294 HydrophobicContact CE2-CG 3.42Å; Y290-M294 VanDerWaalsContact CE2-CG 3.42Å; Y290-M294 HydrophobicContact CE2-SD 3.7Å; Y290-M294 VanDerWaalsContact O-CB 3.24Å; Y290-M294 WeakPolarHBondContact O-CB 3.49Å; Y290-M294 WeakPolarHBondContact O-CG 3.48Å; Y290-M294 PolarHBondContact O-N 3.34Å
291	R	79.7	Confident	71	Confident	85 Å²	85	94.6 Å²	94.6	32%	0.321	45%	0.454	S	S	.	.	H	α-helix	trans	-69.3	-53.4	162.9	173.6	-176	-60.1	140.1	-3.5	110.3	L134 T135 S136 A137 A289 A293 M294 N295	L134-R291 PolarHBondContact O-NE 2.78Å; L134-R291 PolarHBondContact O-NH2 3.25Å; T135-R291 WeakPolarHBondContact OG1-CG 3.39Å; T135-R291 PolarHBondContact OG1-NE 2.85Å; S136-R291 PolarHBondContact O-N 2.83Å; S136-R291 WeakPolarHBondContact OG-CB 3.3Å; S136-R291 PolarHBondContact OG-NE 2.94Å; S136-R291 PolarHBondContact OG-NH1 3.21Å; S136-R291 PolarHBondContact OG-NH2 3.35Å; S136-R291 VanDerWaalsContact OG-NH2 3.15Å; A137-R291 HydrophobicContact CB-CB 3.4Å; A137-R291 VanDerWaalsContact CB-CB 3.4Å; A289-R291 CarbonylContact O-C 3.55Å; A289-R291 VanDerWaalsContact O-C 3.28Å; A289-R291 PolarHBondContact O-N 3.32Å; R291-A293 VanDerWaalsContact C-N 3.26Å; R291-A293 PolarHBondContact O-N 2.83Å; R291-M294 CarbonylContact O-C 3.59Å; R291-M294 PolarHBondContact O-N 3.36Å; R291-N295 WeakPolarHBondContact O-CA 3.38Å; R291-N295 WeakPolarHBondContact O-CB 3.41Å; R291-N295 PolarHBondContact O-N 2.97Å; R291-N295 PolarHBondContact O-OD1 2.88Å
292	C	73.9	Confident	69.1	Low	64 Å²	64	99.7 Å²	99.7	43%	0.432	48%	0.478	S	S	.	.	H	α-helix	trans	-48	-41.1	159.8	-44.9	0	0	0	0	112.9	D288 A289 N295 E296	D288-C292 PolarHBondContact O-SG 3.29Å; D288-C292 VanDerWaalsContact O-SG 3.36Å; A289-C292 PolarHBondContact N-SG 3.38Å; A289-C292 VanDerWaalsContact N-SG 3.41Å; A289-C292 CarbonylContact O-C 3.59Å; A289-C292 WeakPolarHBondContact O-CA 3.43Å; A289-C292 WeakPolarHBondContact O-CB 3.44Å; A289-C292 PolarHBondContact O-N 3.49Å; C292-N295 CarbonylContact O-C 3.52Å; C292-N295 PolarHBondContact O-N 3.37Å; C292-E296 WeakPolarHBondContact O-CB 3.39Å; C292-E296 WeakPolarHBondContact O-CG 3.49Å; C292-E296 PolarHBondContact O-N 3.48Å
293	A	70.1	Confident	66.8	Low	51 Å²	51	102.9 Å²	102.9	42%	0.421	49%	0.488	S	S	.	.	H	α-helix	trans	-74.7	-32.4	179.4	0	0	0	0	0	112.6	A289 Y290 R291 N295 E296 L297	A289-A293 PolarHBondContact O-N 3.09Å; Y290-A293 CarbonylContact O-C 3.59Å; Y290-A293 PolarHBondContact O-N 2.72Å; R291-A293 VanDerWaalsContact C-N 3.26Å; R291-A293 PolarHBondContact O-N 2.83Å; A293-N295 VanDerWaalsContact C-N 3.34Å; A293-E296 PolarHBondContact O-N 3.12Å; A293-L297 WeakPolarHBondContact O-CB 3.44Å; A293-L297 PolarHBondContact O-N 2.71Å
294	M	67.2	Low	64.6	Low	58 Å²	58	97.2 Å²	97.2	29%	0.286	48%	0.479	S	S	.	.	H	α-helix	trans	-74.2	-26.2	168.5	-71.9	-70.5	-72.3	0	0	111.5	Y290 R291 L297 K298	Y290-M294 HydrophobicContact CD2-CG 3.81Å; Y290-M294 HydrophobicContact CE2-CG 3.42Å; Y290-M294 VanDerWaalsContact CE2-CG 3.42Å; Y290-M294 HydrophobicContact CE2-SD 3.7Å; Y290-M294 VanDerWaalsContact O-CB 3.24Å; Y290-M294 WeakPolarHBondContact O-CB 3.49Å; Y290-M294 WeakPolarHBondContact O-CG 3.48Å; Y290-M294 PolarHBondContact O-N 3.34Å; R291-M294 CarbonylContact O-C 3.59Å; R291-M294 PolarHBondContact O-N 3.36Å; M294-L297 WeakPolarHBondContact O-CB 3.38Å; M294-L297 HydrophobicContact SD-CD2 4.3Å; M294-K298 WeakPolarHBondContact O-CB 3.35Å; M294-K298 VanDerWaalsContact O-CG 3.25Å; M294-K298 WeakPolarHBondContact O-CG 3.31Å; M294-K298 PolarHBondContact O-N 2.87Å
295	N	66.4	Low	62.3	Low	68 Å²	68	93.2 Å²	93.2	36%	0.364	47%	0.471	S	S	.	.	H	α-helix	trans	-84.3	-24.3	172.8	-70.8	2	0	0	0	111	R291 C292 A293 K298 K299	R291-N295 WeakPolarHBondContact O-CA 3.38Å; R291-N295 WeakPolarHBondContact O-CB 3.41Å; R291-N295 PolarHBondContact O-N 2.97Å; R291-N295 PolarHBondContact O-OD1 2.88Å; C292-N295 CarbonylContact O-C 3.52Å; C292-N295 PolarHBondContact O-N 3.37Å; A293-N295 VanDerWaalsContact C-N 3.34Å; N295-K298 CarbonylContact O-C 3.56Å; N295-K299 VanDerWaalsContact O-CB 3.27Å; N295-K299 WeakPolarHBondContact O-CB 3.47Å; N295-K299 WeakPolarHBondContact O-CG 3.22Å; N295-K299 PolarHBondContact O-N 2.89Å
296	E	63.8	Low	60.3	Low	114 Å²	114	90.5 Å²	90.5	53%	0.533	47%	0.465	S	S	.	.	H	α-helix	trans	-72.8	-41.4	166	-69.2	-96.7	119.5	0	0	108.3	C292 A293 K298 K299 K300	C292-E296 WeakPolarHBondContact O-CB 3.39Å; C292-E296 WeakPolarHBondContact O-CG 3.49Å; C292-E296 PolarHBondContact O-N 3.48Å; A293-E296 PolarHBondContact O-N 3.12Å; E296-K298 VanDerWaalsContact C-N 3.32Å; E296-K298 PolarHBondContact O-N 2.82Å; E296-K299 PolarHBondContact O-N 3.06Å; E296-K300 WeakPolarHBondContact O-CB 3.4Å; E296-K300 WeakPolarHBondContact O-CG 3.21Å; E296-K300 PolarHBondContact O-N 2.89Å
297	L	49.8	Very low	58.6	Low	112 Å²	112	91 Å²	91	59%	0.586	47%	0.465	S	S	*	.	H	α-helix	trans	-58.4	-43.5	168.2	-136.8	78.7	0	0	0	111.2	A293 M294 K300 S301	A293-L297 WeakPolarHBondContact O-CB 3.44Å; A293-L297 PolarHBondContact O-N 2.71Å; M294-L297 WeakPolarHBondContact O-CB 3.38Å; M294-L297 HydrophobicContact SD-CD2 4.3Å; L297-K300 CarbonylContact O-C 3.54Å; L297-K300 WeakPolarHBondContact O-CB 3.17Å; L297-K300 PolarHBondContact O-N 3Å; L297-S301 PolarHBondContact O-N 2.73Å
298	K	53.3	Low	57.1	Low	130 Å²	130	96.8 Å²	96.8	57%	0.565	49%	0.485	S	S	*	.	H	α-helix	trans	-74.2	-30.5	176.1	-74.5	177.7	173.9	-160.2	0	114.3	M294 N295 E296 K300 S301 H302	M294-K298 WeakPolarHBondContact O-CB 3.35Å; M294-K298 VanDerWaalsContact O-CG 3.25Å; M294-K298 WeakPolarHBondContact O-CG 3.31Å; M294-K298 PolarHBondContact O-N 2.87Å; N295-K298 CarbonylContact O-C 3.56Å; E296-K298 VanDerWaalsContact C-N 3.32Å; E296-K298 PolarHBondContact O-N 2.82Å; K298-K300 VanDerWaalsContact C-N 3.34Å; K298-S301 WeakPolarHBondContact CA-OG 3.34Å; K298-S301 CarbonylContact O-C 3.53Å; K298-S301 VanDerWaalsContact O-C 3.27Å; K298-S301 WeakPolarHBondContact O-CA 3.26Å; K298-S301 PolarHBondContact O-N 3.48Å; K298-S301 PolarHBondContact O-OG 3.41Å; K298-H302 PolarHBondContact O-N 2.83Å
299	K	52.6	Low	55.3	Low	135 Å²	135	96.4 Å²	96.4	59%	0.587	48%	0.481	S	S	*	.	H	α-helix	trans	-66.3	-39.1	169.1	-81.9	174.7	174.4	-168.6	0	110.5	N295 E296 S301 H302	N295-K299 VanDerWaalsContact O-CB 3.27Å; N295-K299 WeakPolarHBondContact O-CB 3.47Å; N295-K299 WeakPolarHBondContact O-CG 3.22Å; N295-K299 PolarHBondContact O-N 2.89Å; E296-K299 PolarHBondContact O-N 3.06Å; K299-S301 PolarHBondContact O-N 3.33Å; K299-H302 PolarHBondContact O-N 2.82Å
300	K	46.9	Very low	54	Low	187 Å²	187	99.2 Å²	99.2	81%	0.813	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-10.9	167.8	-74.2	-171.9	175.3	-167.5	0	114.1	E296 L297 K298	E296-K300 WeakPolarHBondContact O-CB 3.4Å; E296-K300 WeakPolarHBondContact O-CG 3.21Å; E296-K300 PolarHBondContact O-N 2.89Å; L297-K300 CarbonylContact O-C 3.54Å; L297-K300 WeakPolarHBondContact O-CB 3.17Å; L297-K300 PolarHBondContact O-N 3Å; K298-K300 VanDerWaalsContact C-N 3.34Å
301	S	44.8	Very low	52.7	Low	77 Å²	77	93.2 Å²	93.2	54%	0.538	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	15.2	175.3	86.8	0	0	0	0	113.3	L297 K298 K299	L297-S301 PolarHBondContact O-N 2.73Å; K298-S301 WeakPolarHBondContact CA-OG 3.34Å; K298-S301 CarbonylContact O-C 3.53Å; K298-S301 VanDerWaalsContact O-C 3.27Å; K298-S301 WeakPolarHBondContact O-CA 3.26Å; K298-S301 PolarHBondContact O-N 3.48Å; K298-S301 PolarHBondContact O-OG 3.41Å; K299-S301 PolarHBondContact O-N 3.33Å
302	H	44.6	Very low	50.8	Low	161 Å²	161	93.5 Å²	93.5	75%	0.745	48%	0.48	S	S	*	.	S	Bend	trans	-160.2	53.6	175.7	-118.8	61.5	0	0	0	113.1	K298 K299	K298-H302 PolarHBondContact O-N 2.83Å; K299-H302 PolarHBondContact O-N 2.82Å
303	Y	35.3	Very low	49.3	Very low	165 Å²	165	96.7 Å²	96.7	65%	0.647	49%	0.493	S	S	*	.			trans	-132.6	46.4	154.5	-103.5	-85.4	0	0	0	109.8	G305	Y303-G305 PolarHBondContact O-N 2.73Å
304	G	37.4	Very low	48.3	Very low	39 Å²	39	96 Å²	96	40%	0.402	49%	0.485	S	S	.	.			trans	-74.6	59.7	176.4	0	0	0	0	0	112.6	P306	G304-P306 WeakPolarHBondContact O-CD 3.2Å
305	G	40.8	Very low	47.2	Very low	25 Å²	25	100.1 Å²	100.1	26%	0.258	51%	0.507	S	S	.	.			trans	-86.4	115	148.8	0	0	0	0	0	106.7	Y303 D307 Y308	Y303-G305 PolarHBondContact O-N 2.73Å; G305-D307 PolarHBondContact O-N 2.85Å; G305-Y308 PolarHBondContact O-N 2.96Å
306	P	42.9	Very low	46.4	Very low	30 Å²	30	99 Å²	99	20%	0.195	50%	0.501	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	11.6	-173	-22.1	26.1	0	0	0	119	Y34 G304 Y308 I316	Y34-P306 HydrophobicContact CD2-CB 3.68Å; Y34-P306 HydrophobicContact CD2-CG 4.21Å; Y34-P306 HydrophobicContact CE2-CB 3.37Å; Y34-P306 HydrophobicContact CE2-CG 3.55Å; Y34-P306 WeakPolarHBondContact OH-CD 3.41Å; Y34-P306 VanDerWaalsContact OH-N 3.15Å; G304-P306 WeakPolarHBondContact O-CD 3.2Å; P306-Y308 PolarHBondContact O-N 3.45Å; P306-I316 HydrophobicContact CB-CD1 4.3Å
307	D	44.5	Very low	45.9	Very low	105 Å²	105	97.3 Å²	97.3	56%	0.561	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-25.5	154.1	-81.6	-46.5	0	0	0	111.7	Y34 G305	Y34-D307 WeakPolarHBondContact CD1-OD1 3.05Å; Y34-D307 HydrophobicContact CE1-CB 3.96Å; Y34-D307 WeakPolarHBondContact CE1-OD1 3.37Å; Y34-D307 WeakPolarHBondContact CE1-OD2 3.43Å; G305-D307 PolarHBondContact O-N 2.85Å
308	Y	44.6	Very low	45.8	Very low	193 Å²	193	98.9 Å²	98.9	76%	0.757	50%	0.5	S	S	*	.	S	Bend	trans	-106.9	4.6	-168.8	-70.8	-74.3	0	0	0	115.2	G305 P306	G305-Y308 PolarHBondContact O-N 2.96Å; P306-Y308 PolarHBondContact O-N 3.45Å
309	E	47.2	Very low	45.7	Very low	52 Å²	52	98.6 Å²	98.6	24%	0.243	51%	0.505	C	S	.	.			trans	-119.9	46.9	177	-61.6	-167.6	159.7	0	0	112.8	S314 L315	E309-S314 WeakPolarHBondContact O-CB 3.46Å; E309-S314 PolarHBondContact O-OG 2.86Å; E309-L315 WeakPolarHBondContact OE1-CD1 3.33Å; E309-L315 VanDerWaalsContact OE2-CB 3.31Å; E309-L315 WeakPolarHBondContact OE2-CB 3.48Å; E309-L315 WeakPolarHBondContact OE2-CG 3.37Å; E309-L315 PolarHBondContact OE2-N 2.87Å
310	E	50.6	Low	45.8	Very low	96 Å²	96	97 Å²	97	45%	0.449	50%	0.5	S	S	.	.			trans	-77.6	125.3	167.4	-55.5	-160.4	146.4	0	0	110.8	R496	E310-R496 IonicContact OE1-CZ 2.74Å; E310-R496 IonicContact OE1-NH1 3.51Å; E310-R496 PolarHBondContact OE1-NH1 3.28Å; E310-R496 IonicContact OE1-NH2 3.46Å; E310-R496 PolarHBondContact OE1-NH2 2.9Å; E310-R496 IonicContact OE2-CZ 2.86Å; E310-R496 IonicContact OE2-NH1 3.52Å; E310-R496 IonicContact OE2-NH2 2.79Å; E310-R496 PolarHBondContact OE2-NH2 2.86Å
311	G	49.6	Very low	46.1	Very low	11 Å²	11	89.1 Å²	89.1	11%	0.113	47%	0.465	C	S	.	.	S	Bend	trans	124.3	-168.4	179.2	0	0	0	0	0	113.9	N313 S314 W587	G311-N313 PolarHBondContact O-N 2.98Å; G311-S314 PolarHBondContact O-N 3.23Å; G311-W587 VanDerWaalsContact C-CZ3 3.47Å; G311-W587 WeakPolarHBondContact O-CH2 3.22Å
312	P	40.4	Very low	46.6	Very low	90 Å²	90	89.9 Å²	89.9	58%	0.584	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	9.5	-174.8	27.7	-36.6	0	0	0	116	W587	P312-W587 HydrophobicContact CB-CD2 4.31Å; P312-W587 HydrophobicContact CB-CG 4.36Å; P312-W587 HydrophobicContact CB-CZ2 4.33Å
313	N	42.4	Very low	47.1	Very low	131 Å²	131	87.9 Å²	87.9	70%	0.701	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.4	13.6	-178	-51	-62.8	0	0	0	113	G311 L315	G311-N313 PolarHBondContact O-N 2.98Å; N313-L315 PolarHBondContact O-N 3.41Å
314	S	48.2	Very low	48.1	Very low	37 Å²	37	80.3 Å²	80.3	26%	0.259	43%	0.426	S	S	.	.			trans	-64	126.5	-179.4	-146.6	0	0	0	0	111.4	E309 G311 I316	E309-S314 WeakPolarHBondContact O-CB 3.46Å; E309-S314 PolarHBondContact O-OG 2.86Å; G311-S314 PolarHBondContact O-N 3.23Å; S314-I316 VanDerWaalsContact C-N 3.26Å; S314-I316 PolarHBondContact O-N 3.07Å
315	L	44.9	Very low	48.9	Very low	144 Å²	144	79.2 Å²	79.2	75%	0.754	41%	0.411	S	S	*	.			trans	-81.4	5.5	-177.8	-67.3	174.2	0	0	0	114.9	E309 N313	E309-L315 WeakPolarHBondContact OE1-CD1 3.33Å; E309-L315 VanDerWaalsContact OE2-CB 3.31Å; E309-L315 WeakPolarHBondContact OE2-CB 3.48Å; E309-L315 WeakPolarHBondContact OE2-CG 3.37Å; E309-L315 PolarHBondContact OE2-N 2.87Å; N313-L315 PolarHBondContact O-N 3.41Å
316	I	50.2	Low	49.9	Very low	45 Å²	45	84.4 Å²	84.4	23%	0.231	43%	0.428	C	S	.	.			trans	-72.6	133.8	176.7	-62.3	171.3	0	0	0	109.6	P306 S314 E320 F321 W498	P306-I316 HydrophobicContact CB-CD1 4.3Å; S314-I316 VanDerWaalsContact C-N 3.26Å; S314-I316 PolarHBondContact O-N 3.07Å; I316-E320 HydrophobicContact CG2-CB 4.34Å; I316-E320 HydrophobicContact CG2-CG 4.38Å; I316-F321 HydrophobicContact CG2-CB 4Å; I316-W498 HydrophobicContact CD1-CH2 3.76Å; I316-W498 HydrophobicContact CD1-CZ2 4.1Å
317	N	53.1	Low	50.8	Low	79 Å²	79	84.6 Å²	84.6	42%	0.422	43%	0.433	S	S	.	.			trans	-75.5	157.1	179	61.7	85.4	0	0	0	111.7	D319 E320 F321	N317-D319 VanDerWaalsContact C-N 3.31Å; N317-D319 PolarHBondContact O-N 3.33Å; N317-D319 PolarHBondContact OD1-N 2.81Å; N317-E320 PolarHBondContact ND2-OE2 2.86Å; N317-E320 VanDerWaalsContact OD1-CB 3.25Å; N317-E320 WeakPolarHBondContact OD1-CB 3.19Å; N317-E320 PolarHBondContact OD1-N 2.87Å; N317-F321 WeakPolarHBondContact O-CB 3.49Å; N317-F321 PolarHBondContact O-N 3.45Å; N317-F321 VanDerWaalsContact O-N 3.13Å
318	E	47.5	Very low	51.4	Low	144 Å²	144	81.5 Å²	81.5	67%	0.673	42%	0.415	S	S	*	.	H	α-helix	trans	-62.5	-33.8	-172.7	-61.3	-167.7	154	0	0	113.5	F321 F322	E318-F321 WeakPolarHBondContact O-CB 3.41Å; E318-F321 PolarHBondContact O-N 2.85Å; E318-F322 HydrophobicContact CB-CE2 4.28Å; E318-F322 WeakPolarHBondContact O-CD2 3.29Å; E318-F322 PolarHBondContact O-N 3.13Å
319	D	50.2	Low	52.1	Low	125 Å²	125	73.3 Å²	73.3	67%	0.668	38%	0.384	S	S	*	.	H	α-helix	trans	-72.2	-51.9	-177.6	-60.4	-41.7	0	0	0	112	N317 F321 F322 D323	N317-D319 VanDerWaalsContact C-N 3.31Å; N317-D319 PolarHBondContact O-N 3.33Å; N317-D319 PolarHBondContact OD1-N 2.81Å; D319-F321 PolarHBondContact O-N 2.95Å; D319-F321 VanDerWaalsContact O-N 3.15Å; D319-F322 PolarHBondContact O-N 2.85Å; D319-F322 VanDerWaalsContact O-N 3.11Å; D319-D323 PolarHBondContact O-N 2.8Å; D319-D323 VanDerWaalsContact O-N 3.14Å
320	E	54.8	Low	53.1	Low	102 Å²	102	74.4 Å²	74.4	48%	0.477	39%	0.392	S	S	.	.	H	α-helix	trans	-60.1	-25.5	174.7	-175.1	173.8	-173	0	0	112.1	I316 N317 A324	I316-E320 HydrophobicContact CG2-CB 4.34Å; I316-E320 HydrophobicContact CG2-CG 4.38Å; N317-E320 PolarHBondContact ND2-OE2 2.86Å; N317-E320 VanDerWaalsContact OD1-CB 3.25Å; N317-E320 WeakPolarHBondContact OD1-CB 3.19Å; N317-E320 PolarHBondContact OD1-N 2.87Å; E320-A324 WeakPolarHBondContact O-CB 3.45Å; E320-A324 PolarHBondContact O-N 2.88Å
321	F	54.4	Low	53.9	Low	21 Å²	21	75.2 Å²	75.2	9%	0.092	39%	0.39	C	S	.	.	H	α-helix	trans	-78.5	-39.7	175.2	179.2	-98.7	0	0	0	113.5	I316 N317 E318 D319 A324 V325 W498 P499 P589 V592	I316-F321 HydrophobicContact CG2-CB 4Å; N317-F321 WeakPolarHBondContact O-CB 3.49Å; N317-F321 PolarHBondContact O-N 3.45Å; N317-F321 VanDerWaalsContact O-N 3.13Å; E318-F321 WeakPolarHBondContact O-CB 3.41Å; E318-F321 PolarHBondContact O-N 2.85Å; D319-F321 PolarHBondContact O-N 2.95Å; D319-F321 VanDerWaalsContact O-N 3.15Å; F321-A324 PolarHBondContact O-N 3.44Å; F321-V325 HydrophobicContact CD1-CG2 4.49Å; F321-V325 HydrophobicContact CE1-CG2 4.36Å; F321-V325 HydrophobicContact CZ-CG2 4.44Å; F321-V325 VanDerWaalsContact O-CG2 3.3Å; F321-V325 WeakPolarHBondContact O-CG2 3.47Å; F321-V325 PolarHBondContact O-N 2.82Å; F321-W498 HydrophobicContact CD2-CH2 4.2Å; F321-W498 AromaticContact CD2-CZ3 3.77Å; F321-W498 HydrophobicContact CD2-CZ3 3.77Å; F321-W498 HydrophobicContact CE2-CH2 4.33Å; F321-W498 AromaticContact CE2-CZ3 3.76Å; F321-W498 HydrophobicContact CE2-CZ3 3.76Å; F321-P499 HydrophobicContact CE2-CG 3.82Å; F321-P499 HydrophobicContact CZ-CG 4.19Å; F321-P589 HydrophobicContact CE1-CB 4.42Å; F321-P589 HydrophobicContact CZ-CB 4Å; F321-P589 HydrophobicContact CZ-CG 3.92Å; F321-V592 HydrophobicContact CE1-CG2 3.38Å; F321-V592 HydrophobicContact CE2-CG2 4.31Å; F321-V592 HydrophobicContact CZ-CG2 3.19Å
322	F	54.7	Low	54.5	Low	92 Å²	92	76.4 Å²	76.4	40%	0.404	39%	0.393	S	S	.	.	H	α-helix	trans	-62	-47.4	172.8	-79.8	-62.8	0	0	0	111	E318 D319 A324 V325 E326	E318-F322 HydrophobicContact CB-CE2 4.28Å; E318-F322 WeakPolarHBondContact O-CD2 3.29Å; E318-F322 PolarHBondContact O-N 3.13Å; D319-F322 PolarHBondContact O-N 2.85Å; D319-F322 VanDerWaalsContact O-N 3.11Å; F322-A324 VanDerWaalsContact C-N 3.3Å; F322-A324 PolarHBondContact O-N 2.79Å; F322-V325 PolarHBondContact O-N 3Å; F322-E326 WeakPolarHBondContact O-CB 3.48Å; F322-E326 PolarHBondContact O-N 2.83Å
323	D	55.8	Low	55.9	Low	119 Å²	119	74.3 Å²	74.3	64%	0.636	38%	0.377	S	S	*	.	H	α-helix	trans	-54.8	-44.7	174.1	-84.3	6.2	0	0	0	111.8	D319 A327	D319-D323 PolarHBondContact O-N 2.8Å; D319-D323 VanDerWaalsContact O-N 3.14Å; D323-A327 WeakPolarHBondContact O-CB 3.39Å; D323-A327 PolarHBondContact O-N 2.77Å
324	A	55.2	Low	57.2	Low	7 Å²	7	73.2 Å²	73.2	6%	0.058	37%	0.366	C	S	.	.	H	α-helix	trans	-66.3	-41.3	-179.9	0	0	0	0	0	113	I35 E320 F321 F322 E328	I35-A324 HydrophobicContact CD1-CB 3.88Å; I35-A324 VanDerWaalsContact CD1-O 3.26Å; I35-A324 WeakPolarHBondContact CD1-O 3.18Å; E320-A324 WeakPolarHBondContact O-CB 3.45Å; E320-A324 PolarHBondContact O-N 2.88Å; F321-A324 PolarHBondContact O-N 3.44Å; F322-A324 VanDerWaalsContact C-N 3.3Å; F322-A324 PolarHBondContact O-N 2.79Å; A324-E328 PolarHBondContact O-N 3.46Å; A324-E328 VanDerWaalsContact O-N 3.17Å
325	V	54.6	Low	58.2	Low	16 Å²	16	74.8 Å²	74.8	10%	0.097	37%	0.371	C	S	.	.	H	α-helix	trans	-70.2	-47.1	178.3	171.4	0	0	0	0	110.6	F321 F322 A327 E328 L329 V592	F321-V325 HydrophobicContact CD1-CG2 4.49Å; F321-V325 HydrophobicContact CE1-CG2 4.36Å; F321-V325 HydrophobicContact CZ-CG2 4.44Å; F321-V325 VanDerWaalsContact O-CG2 3.3Å; F321-V325 WeakPolarHBondContact O-CG2 3.47Å; F321-V325 PolarHBondContact O-N 2.82Å; F322-V325 PolarHBondContact O-N 3Å; V325-A327 VanDerWaalsContact C-N 3.34Å; V325-A327 PolarHBondContact O-N 3.04Å; V325-E328 PolarHBondContact O-N 2.97Å; V325-L329 HydrophobicContact CG1-CD1 3.84Å; V325-L329 HydrophobicContact CG1-CG 4.41Å; V325-L329 WeakPolarHBondContact O-CB 3.47Å; V325-L329 WeakPolarHBondContact O-CG 3.32Å; V325-L329 PolarHBondContact O-N 2.77Å; V325-V592 HydrophobicContact CG2-CG2 4.02Å
326	E	62.2	Low	59.1	Low	133 Å²	133	69.2 Å²	69.2	62%	0.621	34%	0.341	S	S	*	.	H	α-helix	trans	-61.9	-42.4	178.4	-169.5	158.6	-142.9	0	0	110.8	F322 E328 L329 D330	F322-E326 WeakPolarHBondContact O-CB 3.48Å; F322-E326 PolarHBondContact O-N 2.83Å; E326-E328 PolarHBondContact O-N 2.83Å; E326-L329 WeakPolarHBondContact O-CB 3.23Å; E326-L329 PolarHBondContact O-N 2.66Å; E326-D330 WeakPolarHBondContact O-CB 3.45Å; E326-D330 PolarHBondContact O-N 2.83Å
327	A	60.7	Low	60.1	Low	35 Å²	35	73.4 Å²	73.4	29%	0.289	36%	0.36	S	S	.	.	H	α-helix	trans	-64.8	-36.6	177.1	0	0	0	0	0	114.7	D323 V325 R331	D323-A327 WeakPolarHBondContact O-CB 3.39Å; D323-A327 PolarHBondContact O-N 2.77Å; V325-A327 VanDerWaalsContact C-N 3.34Å; V325-A327 PolarHBondContact O-N 3.04Å; A327-R331 WeakPolarHBondContact O-CB 3.38Å; A327-R331 PolarHBondContact O-N 3.47Å
328	E	57.5	Low	60.7	Low	40 Å²	40	75.7 Å²	75.7	19%	0.187	37%	0.368	C	S	.	.	H	α-helix	trans	-69.7	-41.6	174.1	169.5	54.9	-159.3	0	0	111.5	I35 A324 V325 E326 D330 R331 Q332	I35-E328 HydrophobicContact CD1-CB 4.22Å; A324-E328 PolarHBondContact O-N 3.46Å; A324-E328 VanDerWaalsContact O-N 3.17Å; V325-E328 PolarHBondContact O-N 2.97Å; E326-E328 PolarHBondContact O-N 2.83Å; E328-D330 VanDerWaalsContact C-N 3.33Å; E328-D330 PolarHBondContact O-N 3.27Å; E328-R331 VanDerWaalsContact CD-NH2 3.27Å; E328-R331 WeakPolarHBondContact O-CB 3.42Å; E328-R331 PolarHBondContact O-N 3.26Å; E328-R331 IonicContact OE1-CZ 3.52Å; E328-R331 IonicContact OE1-NE 2.74Å; E328-R331 IonicContact OE1-NH2 3.88Å; E328-R331 PolarHBondContact OE1-NH2 2.66Å; E328-R331 IonicContact OE2-CZ 2.9Å; E328-R331 VanDerWaalsContact OE2-CZ 3.26Å; E328-R331 IonicContact OE2-NE 3.86Å; E328-R331 PolarHBondContact OE2-NE 2.85Å; E328-R331 IonicContact OE2-NH2 3.41Å; E328-R331 PolarHBondContact OE2-NH2 3.21Å; E328-Q332 WeakPolarHBondContact O-CG 3.33Å; E328-Q332 PolarHBondContact O-N 3.49Å; E328-Q332 WeakPolarHBondContact OE1-CG 3.45Å; E328-Q332 PolarHBondContact OE1-NE2 3.28Å
329	L	60.3	Low	61.4	Low	21 Å²	21	71.9 Å²	71.9	11%	0.11	36%	0.356	C	S	.	.	H	α-helix	trans	-58.4	-47.2	173.3	-71.5	174.9	0	0	0	110.3	V325 E326 R331 Q332 D333 V596 R599	V325-L329 HydrophobicContact CG1-CD1 3.84Å; V325-L329 HydrophobicContact CG1-CG 4.41Å; V325-L329 WeakPolarHBondContact O-CB 3.47Å; V325-L329 WeakPolarHBondContact O-CG 3.32Å; V325-L329 PolarHBondContact O-N 2.77Å; E326-L329 WeakPolarHBondContact O-CB 3.23Å; E326-L329 PolarHBondContact O-N 2.66Å; L329-R331 VanDerWaalsContact C-N 3.3Å; L329-R331 PolarHBondContact O-N 3.32Å; L329-Q332 PolarHBondContact O-N 2.89Å; L329-D333 PolarHBondContact O-N 3.16Å; L329-V596 HydrophobicContact CD1-CG2 4.43Å; L329-V596 HydrophobicContact CD2-CG2 4.3Å; L329-R599 PolarHBondContact O-NH1 3.49Å; L329-R599 PolarHBondContact O-NH2 2.87Å
330	D	67.8	Low	61.8	Low	75 Å²	75	69.8 Å²	69.8	40%	0.401	34%	0.343	S	S	.	.	H	α-helix	trans	-60.7	-35.2	175.4	-128.2	37.8	0	0	0	112.9	E326 E328 K334	E326-D330 WeakPolarHBondContact O-CB 3.45Å; E326-D330 PolarHBondContact O-N 2.83Å; E328-D330 VanDerWaalsContact C-N 3.33Å; E328-D330 PolarHBondContact O-N 3.27Å; D330-K334 VanDerWaalsContact O-CD 3.29Å; D330-K334 WeakPolarHBondContact O-CD 3.32Å; D330-K334 WeakPolarHBondContact O-CG 3.48Å; D330-K334 PolarHBondContact O-N 2.96Å; D330-K334 WeakPolarHBondContact OD2-CE 3.42Å; D330-K334 IonicContact OD2-NZ 3.28Å; D330-K334 PolarHBondContact OD2-NZ 3.37Å
331	R	67.3	Low	61.8	Low	112 Å²	112	67.7 Å²	67.7	42%	0.423	34%	0.339	S	S	.	.	H	α-helix	trans	-69.6	-40.2	176.9	-170.9	-169.9	67.9	87.3	7.9	111.5	A327 E328 L329 D333 K334 I335	A327-R331 WeakPolarHBondContact O-CB 3.38Å; A327-R331 PolarHBondContact O-N 3.47Å; E328-R331 VanDerWaalsContact CD-NH2 3.27Å; E328-R331 WeakPolarHBondContact O-CB 3.42Å; E328-R331 PolarHBondContact O-N 3.26Å; E328-R331 IonicContact OE1-CZ 3.52Å; E328-R331 IonicContact OE1-NE 2.74Å; E328-R331 IonicContact OE1-NH2 3.88Å; E328-R331 PolarHBondContact OE1-NH2 2.66Å; E328-R331 IonicContact OE2-CZ 2.9Å; E328-R331 VanDerWaalsContact OE2-CZ 3.26Å; E328-R331 IonicContact OE2-NE 3.86Å; E328-R331 PolarHBondContact OE2-NE 2.85Å; E328-R331 IonicContact OE2-NH2 3.41Å; E328-R331 PolarHBondContact OE2-NH2 3.21Å; L329-R331 VanDerWaalsContact C-N 3.3Å; L329-R331 PolarHBondContact O-N 3.32Å; R331-D333 VanDerWaalsContact C-N 3.35Å; R331-K334 PolarHBondContact O-N 2.68Å; R331-I335 HydrophobicContact CG-CD1 4.1Å; R331-I335 WeakPolarHBondContact O-CG1 3.45Å; R331-I335 PolarHBondContact O-N 2.97Å
332	Q	62.3	Low	61.8	Low	36 Å²	36	73.5 Å²	73.5	17%	0.168	37%	0.366	C	S	.	.	H	α-helix	trans	-63.6	-41.1	176	-69	-176.4	26.8	0	0	111.5	E328 L329 I335 E336	E328-Q332 WeakPolarHBondContact O-CG 3.33Å; E328-Q332 PolarHBondContact O-N 3.49Å; E328-Q332 WeakPolarHBondContact OE1-CG 3.45Å; E328-Q332 PolarHBondContact OE1-NE2 3.28Å; L329-Q332 PolarHBondContact O-N 2.89Å; Q332-I335 PolarHBondContact O-N 2.82Å; Q332-E336 WeakPolarHBondContact O-CB 3.13Å; Q332-E336 WeakPolarHBondContact O-CG 3.38Å; Q332-E336 PolarHBondContact O-N 2.81Å
333	D	69.6	Low	61.6	Low	47 Å²	47	76.4 Å²	76.4	25%	0.251	38%	0.379	S	S	.	.	H	α-helix	trans	-62.7	-45.6	177	-71.9	-2.5	0	0	0	111.5	L329 R331 I335 E336 E337 R599 K603	L329-D333 PolarHBondContact O-N 3.16Å; R331-D333 VanDerWaalsContact C-N 3.35Å; D333-I335 VanDerWaalsContact C-N 3.31Å; D333-I335 PolarHBondContact O-N 2.82Å; D333-E336 CarbonylContact O-C 3.58Å; D333-E336 PolarHBondContact O-N 2.86Å; D333-E336 VanDerWaalsContact O-N 3.11Å; D333-E337 WeakPolarHBondContact O-CG 3.1Å; D333-E337 PolarHBondContact O-N 3.22Å; D333-R599 IonicContact OD1-CZ 2.77Å; D333-R599 IonicContact OD1-NH1 2.73Å; D333-R599 PolarHBondContact OD1-NH1 3.05Å; D333-R599 IonicContact OD1-NH2 3.62Å; D333-R599 PolarHBondContact OD1-NH2 2.94Å; D333-R599 IonicContact OD2-CZ 3.76Å; D333-R599 IonicContact OD2-NH1 3.39Å; D333-R599 PolarHBondContact OD2-NH1 3.48Å; D333-K603 IonicContact OD1-NZ 2.79Å; D333-K603 PolarHBondContact OD1-NZ 3.26Å
334	K	70.6	Confident	61.4	Low	107 Å²	107	76.8 Å²	76.8	47%	0.465	39%	0.386	S	S	.	.	H	α-helix	trans	-61.8	-35.9	176.9	-70.4	158.6	-164.9	157.6	0	113	D330 R331 Q338	D330-K334 VanDerWaalsContact O-CD 3.29Å; D330-K334 WeakPolarHBondContact O-CD 3.32Å; D330-K334 WeakPolarHBondContact O-CG 3.48Å; D330-K334 PolarHBondContact O-N 2.96Å; D330-K334 WeakPolarHBondContact OD2-CE 3.42Å; D330-K334 IonicContact OD2-NZ 3.28Å; D330-K334 PolarHBondContact OD2-NZ 3.37Å; R331-K334 PolarHBondContact O-N 2.68Å; K334-Q338 WeakPolarHBondContact O-CG 3.32Å; K334-Q338 PolarHBondContact O-N 3.07Å; K334-Q338 VanDerWaalsContact O-N 3.08Å
335	I	69.8	Low	60.8	Low	71 Å²	71	86 Å²	86	36%	0.364	42%	0.419	S	S	.	.	H	α-helix	trans	-71	-39.2	174.5	-70.8	168.4	0	0	0	110.7	R331 Q332 D333 Q338 C339	R331-I335 HydrophobicContact CG-CD1 4.1Å; R331-I335 WeakPolarHBondContact O-CG1 3.45Å; R331-I335 PolarHBondContact O-N 2.97Å; Q332-I335 PolarHBondContact O-N 2.82Å; D333-I335 VanDerWaalsContact C-N 3.31Å; D333-I335 PolarHBondContact O-N 2.82Å; I335-Q338 PolarHBondContact O-N 3.23Å; I335-C339 WeakPolarHBondContact O-CB 3.42Å; I335-C339 PolarHBondContact O-N 3.43Å; I335-C339 PolarHBondContact O-SG 2.94Å
336	E	63.5	Low	59.6	Low	26 Å²	26	90.7 Å²	90.7	12%	0.121	45%	0.448	C	S	.	.	H	α-helix	trans	-68.2	-35.7	176.5	-75.3	175.5	-172.2	0	0	112	Q332 D333 Q340 K495 K603	Q332-E336 WeakPolarHBondContact O-CB 3.13Å; Q332-E336 WeakPolarHBondContact O-CG 3.38Å; Q332-E336 PolarHBondContact O-N 2.81Å; D333-E336 CarbonylContact O-C 3.58Å; D333-E336 PolarHBondContact O-N 2.86Å; D333-E336 VanDerWaalsContact O-N 3.11Å; E336-Q340 WeakPolarHBondContact O-CB 3.34Å; E336-Q340 WeakPolarHBondContact O-CG 3.31Å; E336-Q340 PolarHBondContact O-N 3.13Å; E336-Q340 PolarHBondContact O-NE2 2.88Å; E336-K495 IonicContact OE1-NZ 2.72Å; E336-K495 PolarHBondContact OE1-NZ 3.01Å; E336-K603 WeakPolarHBondContact OE2-CE 3.43Å; E336-K603 IonicContact OE2-NZ 3.78Å; E336-K603 PolarHBondContact OE2-NZ 2.83Å
337	E	71.2	Confident	58.5	Low	134 Å²	134	90 Å²	90	63%	0.626	45%	0.454	S	S	*	.	H	α-helix	trans	-65.7	-41.1	171.2	-73.6	-171.6	156.9	0	0	112.5	D333 Q340 S341	D333-E337 WeakPolarHBondContact O-CG 3.1Å; D333-E337 PolarHBondContact O-N 3.22Å; E337-Q340 PolarHBondContact O-N 3.23Å; E337-S341 WeakPolarHBondContact O-CB 3.4Å; E337-S341 PolarHBondContact O-N 2.83Å; E337-S341 PolarHBondContact O-OG 2.89Å
338	Q	65.3	Low	57.2	Low	126 Å²	126	99.7 Å²	99.7	59%	0.589	48%	0.483	S	S	*	.	H	α-helix	trans	-62.7	-50.7	173.2	-75.1	178.7	-0.7	0	0	111	K334 I335 Q340 S341 E342	K334-Q338 WeakPolarHBondContact O-CG 3.32Å; K334-Q338 PolarHBondContact O-N 3.07Å; K334-Q338 VanDerWaalsContact O-N 3.08Å; I335-Q338 PolarHBondContact O-N 3.23Å; Q338-Q340 VanDerWaalsContact C-N 3.27Å; Q338-Q340 PolarHBondContact O-N 3.23Å; Q338-S341 PolarHBondContact O-N 3.24Å; Q338-S341 PolarHBondContact O-OG 3.25Å; Q338-S341 VanDerWaalsContact O-OG 3.13Å; Q338-E342 WeakPolarHBondContact O-CG 3.35Å; Q338-E342 PolarHBondContact O-N 2.89Å
339	C	62.3	Low	56.2	Low	64 Å²	64	102.8 Å²	102.8	43%	0.432	51%	0.507	S	S	.	.	H	α-helix	trans	-57.4	-37.3	176.8	-66.8	0	0	0	0	113.1	I335 K343	I335-C339 WeakPolarHBondContact O-CB 3.42Å; I335-C339 PolarHBondContact O-N 3.43Å; I335-C339 PolarHBondContact O-SG 2.94Å; C339-K343 WeakPolarHBondContact O-CG 3.36Å; C339-K343 PolarHBondContact O-N 3.08Å
340	Q	57.8	Low	55	Low	82 Å²	82	106.5 Å²	106.5	38%	0.383	53%	0.532	S	S	.	.	H	α-helix	trans	-74.3	-43.5	178	-75.2	170.7	104.2	0	0	112.1	E336 E337 Q338 E342 K343 V344	E336-Q340 WeakPolarHBondContact O-CB 3.34Å; E336-Q340 WeakPolarHBondContact O-CG 3.31Å; E336-Q340 PolarHBondContact O-N 3.13Å; E336-Q340 PolarHBondContact O-NE2 2.88Å; E337-Q340 PolarHBondContact O-N 3.23Å; Q338-Q340 VanDerWaalsContact C-N 3.27Å; Q338-Q340 PolarHBondContact O-N 3.23Å; Q340-E342 VanDerWaalsContact C-N 3.31Å; Q340-E342 PolarHBondContact O-N 3.36Å; Q340-K343 PolarHBondContact O-N 3.5Å; Q340-V344 WeakPolarHBondContact O-CG2 3.48Å; Q340-V344 PolarHBondContact O-N 3.16Å; Q340-V344 VanDerWaalsContact O-N 3.07Å
341	S	55.9	Low	53.4	Low	58 Å²	58	109.4 Å²	109.4	41%	0.406	56%	0.555	S	S	.	*	H	α-helix	trans	-69.8	-25.6	178.6	58.5	0	0	0	0	113.6	E337 Q338 R345	E337-S341 WeakPolarHBondContact O-CB 3.4Å; E337-S341 PolarHBondContact O-N 2.83Å; E337-S341 PolarHBondContact O-OG 2.89Å; Q338-S341 PolarHBondContact O-N 3.24Å; Q338-S341 PolarHBondContact O-OG 3.25Å; Q338-S341 VanDerWaalsContact O-OG 3.13Å; S341-R345 PolarHBondContact O-N 2.89Å
342	E	54.5	Low	51.8	Low	142 Å²	142	110.2 Å²	110.2	66%	0.664	57%	0.572	S	S	*	*	H	α-helix	trans	-70.6	-44.7	167	-72.3	-167	150.1	0	0	112.4	Q338 Q340 V344 R345	Q338-E342 WeakPolarHBondContact O-CG 3.35Å; Q338-E342 PolarHBondContact O-N 2.89Å; Q340-E342 VanDerWaalsContact C-N 3.31Å; Q340-E342 PolarHBondContact O-N 3.36Å; E342-V344 PolarHBondContact O-N 2.97Å; E342-R345 PolarHBondContact O-N 3.11Å
343	K	50.8	Low	50.7	Low	154 Å²	154	113.4 Å²	113.4	67%	0.67	60%	0.599	S	S	*	*	H	α-helix	trans	-59.5	-28.6	174.7	-77.8	178.7	178.4	-175.1	0	113.3	C339 Q340 T346	C339-K343 WeakPolarHBondContact O-CG 3.36Å; C339-K343 PolarHBondContact O-N 3.08Å; Q340-K343 PolarHBondContact O-N 3.5Å; K343-T346 PolarHBondContact O-OG1 2.9Å
344	V	49.8	Very low	49.4	Very low	127 Å²	127	117.1 Å²	117.1	77%	0.77	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-16.3	175.3	172.6	0	0	0	0	112.7	Q340 E342	Q340-V344 WeakPolarHBondContact O-CG2 3.48Å; Q340-V344 PolarHBondContact O-N 3.16Å; Q340-V344 VanDerWaalsContact O-N 3.07Å; E342-V344 PolarHBondContact O-N 2.97Å
345	R	43.5	Very low	47.7	Very low	201 Å²	201	115.9 Å²	115.9	76%	0.758	64%	0.635	S	S	*	*			trans	-89.8	-7.8	-173.8	-99.9	178.4	170.1	149.7	-0.9	115.8	S341 E342 P347	S341-R345 PolarHBondContact O-N 2.89Å; E342-R345 PolarHBondContact O-N 3.11Å; R345-P347 VanDerWaalsContact O-CD 3.24Å; R345-P347 WeakPolarHBondContact O-CD 3.44Å
346	T	30.1	Very low	45.9	Very low	114 Å²	114	120.4 Å²	120.4	70%	0.699	66%	0.66	S	S	*	*			trans	-69.1	115.7	177.8	25.1	0	0	0	0	111.8	K343 R348	K343-T346 PolarHBondContact O-OG1 2.9Å; T346-R348 PolarHBondContact O-N 3.3Å
347	P	38.2	Very low	44.5	Very low	118 Å²	118	124.7 Å²	124.7	77%	0.766	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-70.9	133.3	-178.7	-18.6	33.4	0	0	0	112	R345	R345-P347 VanDerWaalsContact O-CD 3.24Å; R345-P347 WeakPolarHBondContact O-CD 3.44Å
348	R	33.3	Very low	42.6	Very low	238 Å²	238	126.9 Å²	126.9	90%	0.898	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-58.2	121.2	170.8	-174.7	-179.5	-171.2	166.6	4.2	109.8	T346	T346-R348 PolarHBondContact O-N 3.3Å
349	P	36	Very low	40.9	Very low	105 Å²	105	126.3 Å²	126.3	68%	0.682	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-65.9	148.5	178.1	27	-34	0	0	0	111.1
350	P	36.6	Very low	39.3	Very low	99 Å²	99	127.2 Å²	127.2	64%	0.643	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-68.4	150.4	178.3	29.9	-35.2	0	0	0	111.1	V352	P350-V352 WeakPolarHBondContact O-CG2 3.22Å; P350-V352 PolarHBondContact O-N 3.07Å
351	P	33.7	Very low	37.9	Very low	136 Å²	136	130.9 Å²	130.9	88%	0.883	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-70.6	117.4	177.8	28.9	-33.5	0	0	0	110.4
352	V	33.4	Very low	36.5	Very low	129 Å²	129	133.3 Å²	133.3	78%	0.782	76%	0.755	S	S	*	*			trans	-113.1	111.5	176.5	-151.9	0	0	0	0	109.2	P350	P350-V352 WeakPolarHBondContact O-CG2 3.22Å; P350-V352 PolarHBondContact O-N 3.07Å
353	S	38.1	Very low	35.4	Very low	104 Å²	104	132.3 Å²	132.3	73%	0.727	76%	0.759	S	S	*	*			trans	-71.8	153.5	159.3	63.2	0	0	0	0	109
354	P	42.8	Very low	34.4	Very low	124 Å²	124	132.9 Å²	132.9	81%	0.805	76%	0.764	S	S	*	*				-150.9	-165.1	77.1	39.3	-18.5	0	0	0	114.2
355	A	36.1	Very low	33.4	Very low	81 Å²	81	138.9 Å²	138.9	67%	0.669	77%	0.773	S	S	*	*			trans	-79.7	-163.5	163.5	0	0	0	0	0	111.7
356	D	30.6	Very low	32.8	Very low	166 Å²	166	138 Å²	138	89%	0.888	77%	0.774	S	S	*	*			trans	82.2	127.8	174.9	-61.2	-27.8	0	0	0	118
357	V	34.1	Very low	32.9	Very low	117 Å²	117	137.4 Å²	137.4	71%	0.709	78%	0.781	S	S	*	*			trans	-104.8	157.1	-156.2	-169.7	0	0	0	0	110.6
358	F	32.3	Very low	32.5	Very low	180 Å²	180	138.8 Å²	138.8	79%	0.789	78%	0.782	S	S	*	*			trans	111.4	119.2	152.4	-72.1	-73.3	0	0	0	119.3
359	S	28.3	Very low	32.2	Very low	114 Å²	114	136.8 Å²	136.8	80%	0.797	78%	0.78	S	S	*	*			trans	74.4	140.1	140	-62.8	0	0	0	0	118.5
360	A	29	Very low	31.9	Very low	83 Å²	83	137.9 Å²	137.9	69%	0.686	79%	0.787	S	S	*	*			cis	-147.3	144	6.6	0	0	0	0	0	113.9
361	I	28.7	Very low	31.5	Very low	158 Å²	158	144.6 Å²	144.6	81%	0.81	80%	0.8	S	S	*	*			trans	46.5	113.1	141.7	-54.6	167.8	0	0	0	118.2	T363	I361-T363 HydrophobicContact CG2-CG2 4.06Å
362	S	26.3	Very low	31.2	Very low	110 Å²	110	143.7 Å²	143.7	77%	0.769	80%	0.797	S	S	*	*			trans	-122.3	142	148.3	-179.6	0	0	0	0	109.3
363	T	32.1	Very low	31	Very low	121 Å²	121	148.9 Å²	148.9	74%	0.742	80%	0.804	S	S	*	*			trans	-108.4	95.5	-173.5	50.7	0	0	0	0	112.6	I361	I361-T363 HydrophobicContact CG2-CG2 4.06Å
364	H	29.9	Very low	30.5	Very low	166 Å²	166	149.1 Å²	149.1	77%	0.769	81%	0.806	S	S	*	*			trans	-124.4	134.4	160.3	-80.7	-98.6	0	0	0	109.8
365	R	29.3	Very low	30.1	Very low	253 Å²	253	149 Å²	149	96%	0.955	81%	0.808	S	S	*	*			trans	-89.2	109.5	179.2	-60.9	-179.1	-166.2	162.2	5.1	109.4
366	F	30.6	Very low	29.7	Very low	181 Å²	181	150.5 Å²	150.5	79%	0.794	81%	0.813	S	S	*	*			trans	-85	152.1	154.2	-84	-93.5	0	0	0	109.7
367	A	31	Very low	30.2	Very low	102 Å²	102	149.9 Å²	149.9	84%	0.843	82%	0.815	S	S	*	*			trans	-115.6	70.9	176	0	0	0	0	0	109.1
368	D	29.7	Very low	29.8	Very low	148 Å²	148	149.5 Å²	149.5	79%	0.791	82%	0.818	S	S	*	*			trans	-63.1	142.5	178.8	-74.4	-55	0	0	0	112.3
369	K	27.4	Very low	29.8	Very low	195 Å²	195	145.4 Å²	145.4	85%	0.848	81%	0.811	S	S	*	*			trans	-137.2	114.5	167	-153.6	175.6	-173.8	-177.6	0	107.8	R371	K369-R371 PolarHBondContact O-N 3.35Å
370	P	29.3	Very low	30.5	Very low	128 Å²	128	147 Å²	147	83%	0.831	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-72.9	129.9	-162.5	27.1	-34.9	0	0	0	112.5
371	R	28.2	Very low	30.6	Very low	240 Å²	240	151.7 Å²	151.7	91%	0.906	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-90.5	117.9	157.3	-76.1	-174.9	172.2	-172.4	-2.7	108.2	K369	K369-R371 PolarHBondContact O-N 3.35Å
372	S	27.7	Very low	31	Very low	117 Å²	117	151.6 Å²	151.6	82%	0.818	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-81.3	116.3	177	51.3	0	0	0	0	110.9
373	Y	30.3	Very low	31.5	Very low	238 Å²	238	153.4 Å²	153.4	93%	0.933	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-66.7	133.2	165.7	-87.6	-97.8	0	0	0	110.4
374	S	26.3	Very low	31.6	Very low	110 Å²	110	153 Å²	153	77%	0.769	83%	0.828	S	S	*	*			trans	-132.6	116.2	162.3	-179.1	0	0	0	0	107.9
375	S	34.9	Very low	32.2	Very low	121 Å²	121	150 Å²	150	85%	0.846	83%	0.831	S	S	*	*			trans	-89.5	117	-176.1	54.5	0	0	0	0	111.5
376	S	28.5	Very low	32.9	Very low	112 Å²	112	141.7 Å²	141.7	78%	0.783	81%	0.812	S	S	*	*			trans	-151.5	96.1	168.3	54.1	0	0	0	0	111.1
377	V	39.3	Very low	33.7	Very low	153 Å²	153	140.6 Å²	140.6	93%	0.927	82%	0.815	S	S	*	*			trans	-79.1	120.5	170.2	-81.1	0	0	0	0	110.4
378	S	27.3	Very low	35	Very low	110 Å²	110	138.6 Å²	138.6	77%	0.769	79%	0.79	S	S	*	*			trans	-168.9	147.3	157.7	-157.8	0	0	0	0	112.7
379	S	30.9	Very low	37.6	Very low	93 Å²	93	136.9 Å²	136.9	65%	0.65	79%	0.785	S	S	*	*	S	Bend	trans	56	94.1	156.9	-62.4	0	0	0	0	120.6	E381	S379-E381 PolarHBondContact O-N 3.24Å
380	V	43.2	Very low	40.7	Very low	148 Å²	148	128.8 Å²	128.8	90%	0.897	75%	0.75	S	S	*	*			trans	36	75.5	131.7	-163.7	0	0	0	0	116.2
381	E	32.5	Very low	43.8	Very low	181 Å²	181	129.5 Å²	129.5	85%	0.846	74%	0.736	S	S	*	*			trans	-87.3	126.7	164.4	-70	-167.4	130.6	0	0	110.9	S379 V383	S379-E381 PolarHBondContact O-N 3.24Å; E381-V383 PolarHBondContact O-N 3Å; E381-V383 VanDerWaalsContact O-N 3.14Å
382	L	36.1	Very low	47.1	Very low	156 Å²	156	119.6 Å²	119.6	82%	0.817	70%	0.7	S	S	*	*			trans	-68.3	104.8	168	-75.4	160.8	0	0	0	108	T384	L382-T384 PolarHBondContact O-N 3.38Å; L382-T384 PolarHBondContact O-OG1 3.44Å
383	V	37.6	Very low	50.2	Low	149 Å²	149	115 Å²	115	90%	0.903	67%	0.667	S	S	*	*			trans	-57.4	98.8	178.5	-177.9	0	0	0	0	109.1	E381	E381-V383 PolarHBondContact O-N 3Å; E381-V383 VanDerWaalsContact O-N 3.14Å
384	T	33.4	Very low	53.3	Low	112 Å²	112	109 Å²	109	69%	0.687	66%	0.659	S	S	*	*			trans	-92.1	129.3	-177.5	-60.7	0	0	0	0	107.4	L382 S386	L382-T384 PolarHBondContact O-N 3.38Å; L382-T384 PolarHBondContact O-OG1 3.44Å; T384-S386 PolarHBondContact O-N 3.19Å
385	A	42.8	Very low	56.6	Low	102 Å²	102	107.1 Å²	107.1	84%	0.843	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	62.8	-170.1	0	0	0	0	0	113.5
386	S	43	Very low	59.6	Low	80 Å²	80	101.3 Å²	101.3	56%	0.559	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.3	-24.3	-170.2	-167.3	0	0	0	0	115.3	T384 V389	T384-S386 PolarHBondContact O-N 3.19Å; S386-V389 WeakPolarHBondContact O-CG2 3.33Å
387	D	48	Very low	62.8	Low	158 Å²	158	100.1 Å²	100.1	85%	0.845	58%	0.579	S	S	*	*	S	Bend	trans	-96.5	-21.2	-177.4	-75.6	-14.6	0	0	0	113.6	V389	D387-V389 PolarHBondContact O-N 2.96Å
388	D	59.5	Low	65.5	Low	59 Å²	59	98.5 Å²	98.5	32%	0.316	56%	0.562	S	S	.	*			trans	-86.1	27.5	175	-84.2	-51.2	0	0	0	113.9	H390 S393 S484 N486	D388-H390 PolarHBondContact O-CD2 2.78Å; D388-H390 VanDerWaalsContact O-CD2 3.28Å; D388-H390 PolarHBondContact O-N 3.08Å; D388-H390 VanDerWaalsContact O-N 3.17Å; D388-S393 PolarHBondContact O-OG 3.29Å; D388-S484 WeakPolarHBondContact OD1-CB 3.4Å; D388-S484 PolarHBondContact OD1-OG 3.28Å; D388-N486 VanDerWaalsContact OD1-CG 3.31Å; D388-N486 PolarHBondContact OD1-ND2 3.19Å; D388-N486 VanDerWaalsContact OD1-ND2 3.12Å; D388-N486 PolarHBondContact OD1-OD1 3.27Å; D388-N486 VanDerWaalsContact OD1-OD1 3.04Å; D388-N486 PolarHBondContact OD2-ND2 2.72Å
389	V	83.2	Confident	68.8	Low	113 Å²	113	94.9 Å²	94.9	69%	0.685	53%	0.533	S	S	*	.			trans	-89	84.5	-175.9	-173.9	0	0	0	0	110.8	S386 D387	S386-V389 WeakPolarHBondContact O-CG2 3.33Å; D387-V389 PolarHBondContact O-N 2.96Å
390	H	92.1	Very high	71.8	Confident	25 Å²	25	90.7 Å²	90.7	12%	0.116	50%	0.504	C	S	.	.			trans	-108.6	169.3	172.5	64.2	94.1	0	0	0	111.1	D388 F392 S393 L483	D388-H390 PolarHBondContact O-CD2 2.78Å; D388-H390 VanDerWaalsContact O-CD2 3.28Å; D388-H390 PolarHBondContact O-N 3.08Å; D388-H390 VanDerWaalsContact O-N 3.17Å; H390-F392 PolarHBondContact ND1-N 3.47Å; H390-F392 PolarHBondContact O-N 2.8Å; H390-S393 PolarHBondContact CD2-OG 3.17Å; H390-S393 PolarHBondContact N-OG 2.7Å; H390-S393 PolarHBondContact NE2-OG 3.08Å; H390-S393 PolarHBondContact O-N 3.02Å; H390-S393 VanDerWaalsContact O-N 3.11Å; H390-S393 PolarHBondContact O-OG 2.72Å; H390-L483 HydrophobicContact CB-CB 4.03Å
391	R	95.3	Very high	74.3	Confident	142 Å²	142	89.3 Å²	89.3	54%	0.536	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-6.4	-173.5	73.9	178.3	-177.8	-83.5	3.1	116.3	E481 H534	R391-E481 IonicContact CZ-OE1 3.85Å; R391-E481 IonicContact CZ-OE2 2.71Å; R391-E481 IonicContact NH1-OE1 3.94Å; R391-E481 PolarHBondContact NH1-OE1 2.96Å; R391-E481 IonicContact NH1-OE2 3.06Å; R391-E481 PolarHBondContact NH1-OE2 3.15Å; R391-E481 IonicContact NH2-OE1 3.35Å; R391-E481 IonicContact NH2-OE2 2.84Å; R391-E481 PolarHBondContact NH2-OE2 3.49Å; R391-H534 PolarHBondContact NH2-CD2 2.74Å; R391-H534 VanDerWaalsContact NH2-CD2 3.27Å; R391-H534 PolarHBondContact NH2-NE2 2.8Å
392	F	96.4	Very high	77.3	Confident	33 Å²	33	83.7 Å²	83.7	15%	0.145	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.3	1.1	-179.4	-69.2	-67.4	0	0	0	113.4	H390 C394 Q395 V396 L483 I489 L508 V532	H390-F392 PolarHBondContact ND1-N 3.47Å; H390-F392 PolarHBondContact O-N 2.8Å; F392-C394 VanDerWaalsContact C-N 3.3Å; F392-C394 PolarHBondContact O-N 3.35Å; F392-Q395 WeakPolarHBondContact O-CA 3.36Å; F392-Q395 WeakPolarHBondContact O-CB 3.48Å; F392-Q395 PolarHBondContact O-N 3.17Å; F392-V396 PolarHBondContact O-N 2.95Å; F392-L483 HydrophobicContact CD2-CD1 4.03Å; F392-L483 HydrophobicContact CD2-CD2 4.43Å; F392-I489 HydrophobicContact CD2-CD1 4.39Å; F392-I489 HydrophobicContact CE2-CD1 3.81Å; F392-L508 HydrophobicContact CB-CD1 3.45Å; F392-L508 VanDerWaalsContact CB-CD1 3.45Å; F392-L508 HydrophobicContact CD2-CD1 3.68Å; F392-L508 HydrophobicContact CG-CD1 3.67Å; F392-V532 HydrophobicContact CD1-CG1 4.47Å; F392-V532 HydrophobicContact CE1-CB 4.31Å; F392-V532 HydrophobicContact CE1-CG1 4.16Å; F392-V532 HydrophobicContact CZ-CB 4.13Å; F392-V532 HydrophobicContact CZ-CG1 4.36Å; F392-V532 HydrophobicContact CZ-CG2 4.49Å
393	S	94.4	Very high	80.1	Confident	19 Å²	19	76.5 Å²	76.5	13%	0.133	43%	0.426	C	S	.	.	H	α-helix	trans	-54.9	-43.1	-172.1	-50.6	0	0	0	0	112.8	D388 H390 Q395 V396 E397	D388-S393 PolarHBondContact O-OG 3.29Å; H390-S393 PolarHBondContact CD2-OG 3.17Å; H390-S393 PolarHBondContact N-OG 2.7Å; H390-S393 PolarHBondContact NE2-OG 3.08Å; H390-S393 PolarHBondContact O-N 3.02Å; H390-S393 VanDerWaalsContact O-N 3.11Å; H390-S393 PolarHBondContact O-OG 2.72Å; S393-Q395 VanDerWaalsContact C-N 3.27Å; S393-Q395 PolarHBondContact O-N 3.35Å; S393-V396 WeakPolarHBondContact O-CB 3.45Å; S393-V396 PolarHBondContact O-N 2.79Å; S393-V396 VanDerWaalsContact O-N 3.13Å; S393-E397 WeakPolarHBondContact O-CG 3.41Å; S393-E397 PolarHBondContact O-N 2.82Å
394	C	94.9	Very high	82.8	Confident	114 Å²	114	71.4 Å²	71.4	77%	0.77	39%	0.392	S	S	*	.	H	α-helix	trans	-59	-36.7	176.3	-56.4	0	0	0	0	113.2	F392 E398	F392-C394 VanDerWaalsContact C-N 3.3Å; F392-C394 PolarHBondContact O-N 3.35Å; C394-E398 WeakPolarHBondContact O-CB 3.29Å; C394-E398 PolarHBondContact O-N 2.92Å
395	Q	96.1	Very high	85.6	Confident	69 Å²	69	68.8 Å²	68.8	32%	0.322	38%	0.376	S	S	.	.	H	α-helix	trans	-75.5	-34.6	177.5	-168.7	-178.3	4.6	0	0	111.4	F392 S393 M399 F530	F392-Q395 WeakPolarHBondContact O-CA 3.36Å; F392-Q395 WeakPolarHBondContact O-CB 3.48Å; F392-Q395 PolarHBondContact O-N 3.17Å; S393-Q395 VanDerWaalsContact C-N 3.27Å; S393-Q395 PolarHBondContact O-N 3.35Å; Q395-M399 HydrophobicContact CG-CG 4.47Å; Q395-M399 WeakPolarHBondContact O-CB 3.46Å; Q395-M399 WeakPolarHBondContact O-CG 3.47Å; Q395-M399 PolarHBondContact O-N 2.86Å; Q395-F530 HydrophobicContact CG-CE2 3.79Å; Q395-F530 HydrophobicContact CG-CZ 4.12Å
396	V	96.7	Very high	87.9	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-60.6	-52.6	171.7	175.7	0	0	0	0	109.8	F392 S393 E398 M399 V400 L508 A510 F530	F392-V396 PolarHBondContact O-N 2.95Å; S393-V396 WeakPolarHBondContact O-CB 3.45Å; S393-V396 PolarHBondContact O-N 2.79Å; S393-V396 VanDerWaalsContact O-N 3.13Å; V396-E398 VanDerWaalsContact C-N 3.35Å; V396-E398 PolarHBondContact O-N 3.48Å; V396-M399 PolarHBondContact O-N 3.36Å; V396-V400 HydrophobicContact CG1-CG2 4.06Å; V396-V400 WeakPolarHBondContact O-CB 3.26Å; V396-V400 WeakPolarHBondContact O-CG2 3.23Å; V396-V400 PolarHBondContact O-N 3.39Å; V396-L508 HydrophobicContact CG2-CD1 4.17Å; V396-L508 HydrophobicContact CG2-CD2 3.74Å; V396-A510 HydrophobicContact CG1-CB 3.74Å; V396-A510 HydrophobicContact CG2-CB 4.21Å; V396-F530 HydrophobicContact CG2-CE1 4.17Å; V396-F530 HydrophobicContact CG2-CZ 3.93Å
397	E	95.1	Very high	90.2	Very high	86 Å²	86	68.1 Å²	68.1	40%	0.402	34%	0.343	S	S	.	.	H	α-helix	trans	-64.7	-36	-179	-58.4	-46.6	130.8	0	0	112.7	S393 Q401 R512	S393-E397 WeakPolarHBondContact O-CG 3.41Å; S393-E397 PolarHBondContact O-N 2.82Å; E397-Q401 VanDerWaalsContact O-CB 3.3Å; E397-Q401 WeakPolarHBondContact O-CB 3.39Å; E397-Q401 PolarHBondContact O-N 3.4Å; E397-R512 IonicContact OE1-CZ 3.68Å; E397-R512 IonicContact OE1-NE 2.71Å; E397-R512 PolarHBondContact OE1-NE 2.95Å; E397-R512 IonicContact OE1-NH2 3.01Å; E397-R512 PolarHBondContact OE1-NH2 2.9Å
398	E	96.3	Very high	92.2	Very high	119 Å²	119	63.2 Å²	63.2	56%	0.556	32%	0.317	S	S	*	.	H	α-helix	trans	-60	-48.4	171.3	178.9	177.1	-169.4	0	0	111.8	C394 V396 Q401 N402	C394-E398 WeakPolarHBondContact O-CB 3.29Å; C394-E398 PolarHBondContact O-N 2.92Å; V396-E398 VanDerWaalsContact C-N 3.35Å; V396-E398 PolarHBondContact O-N 3.48Å; E398-Q401 PolarHBondContact O-N 3.15Å; E398-N402 WeakPolarHBondContact O-CB 3.35Å; E398-N402 VanDerWaalsContact O-CG 3.28Å; E398-N402 PolarHBondContact O-N 2.91Å; E398-N402 PolarHBondContact O-ND2 3.26Å; E398-N402 VanDerWaalsContact O-ND2 3.09Å
399	M	96.6	Very high	93.6	Very high	35 Å²	35	65.8 Å²	65.8	17%	0.172	33%	0.327	C	S	.	.	H	α-helix	trans	-68.5	-39.7	-178.9	-66.1	-67.6	-97.4	0	0	111.7	Q395 V396 N402 H403 F530 N549	Q395-M399 HydrophobicContact CG-CG 4.47Å; Q395-M399 WeakPolarHBondContact O-CB 3.46Å; Q395-M399 WeakPolarHBondContact O-CG 3.47Å; Q395-M399 PolarHBondContact O-N 2.86Å; V396-M399 PolarHBondContact O-N 3.36Å; M399-N402 PolarHBondContact O-N 3.36Å; M399-H403 PolarHBondContact O-CD2 2.82Å; M399-H403 PolarHBondContact O-N 3.21Å; M399-F530 HydrophobicContact CB-CD1 4.02Å; M399-F530 HydrophobicContact CB-CE1 4.05Å; M399-F530 HydrophobicContact CE-CB 3.43Å; M399-F530 VanDerWaalsContact CE-CB 3.43Å; M399-F530 HydrophobicContact CE-CD1 4.28Å; M399-F530 HydrophobicContact CE-CD2 4.18Å; M399-F530 HydrophobicContact CE-CG 3.73Å; M399-F530 HydrophobicContact CG-CD1 4Å; M399-F530 HydrophobicContact CG-CD2 4.42Å; M399-F530 HydrophobicContact CG-CE1 4.08Å; M399-F530 HydrophobicContact CG-CG 4.17Å; M399-F530 HydrophobicContact CG-CZ 4.34Å; M399-N549 HydrophobicContact CE-CB 4.2Å; M399-N549 VanDerWaalsContact CE-CG 3.41Å; M399-N549 VanDerWaalsContact CE-OD1 3.27Å; M399-N549 WeakPolarHBondContact CE-OD1 3.17Å
400	V	95.4	Very high	93.8	Very high	5 Å²	5	66.8 Å²	66.8	3%	0.03	33%	0.329	C	S	.	.	H	α-helix	trans	-58.5	-50.9	172.6	169.8	0	0	0	0	110.6	V396 N402 H403 M404 R512 I514 L526	V396-V400 HydrophobicContact CG1-CG2 4.06Å; V396-V400 WeakPolarHBondContact O-CB 3.26Å; V396-V400 WeakPolarHBondContact O-CG2 3.23Å; V396-V400 PolarHBondContact O-N 3.39Å; V400-N402 PolarHBondContact O-N 3.11Å; V400-H403 PolarHBondContact O-N 3.1Å; V400-M404 WeakPolarHBondContact O-CG 3.34Å; V400-M404 PolarHBondContact O-N 3.27Å; V400-R512 HydrophobicContact CG2-CG 3.94Å; V400-I514 HydrophobicContact CG1-CD1 3.65Å; V400-I514 HydrophobicContact CG1-CG1 4.31Å; V400-L526 HydrophobicContact CG2-CD2 4.14Å
401	Q	94.6	Very high	93.6	Very high	118 Å²	118	66.1 Å²	66.1	55%	0.551	33%	0.326	S	S	*	.	H	α-helix	trans	-63.1	-40.6	179.1	-176.3	59.9	56.5	0	0	111.8	E397 E398 H403 M404 T405	E397-Q401 VanDerWaalsContact O-CB 3.3Å; E397-Q401 WeakPolarHBondContact O-CB 3.39Å; E397-Q401 PolarHBondContact O-N 3.4Å; E398-Q401 PolarHBondContact O-N 3.15Å; Q401-H403 PolarHBondContact O-N 3.29Å; Q401-M404 PolarHBondContact O-N 3.01Å; Q401-T405 PolarHBondContact NE2-OG1 2.93Å; Q401-T405 VanDerWaalsContact O-CB 3.3Å; Q401-T405 WeakPolarHBondContact O-CB 3.05Å; Q401-T405 PolarHBondContact O-N 2.87Å; Q401-T405 PolarHBondContact O-OG1 3.23Å
402	N	95.3	Very high	92.9	Very high	64 Å²	64	61.8 Å²	61.8	34%	0.342	33%	0.325	S	S	.	.	H	α-helix	trans	-60.7	-43.5	174.5	-78.1	-37.5	0	0	0	111.7	E398 M399 V400 T405 Y406	E398-N402 WeakPolarHBondContact O-CB 3.35Å; E398-N402 VanDerWaalsContact O-CG 3.28Å; E398-N402 PolarHBondContact O-N 2.91Å; E398-N402 PolarHBondContact O-ND2 3.26Å; E398-N402 VanDerWaalsContact O-ND2 3.09Å; M399-N402 PolarHBondContact O-N 3.36Å; V400-N402 PolarHBondContact O-N 3.11Å; N402-T405 PolarHBondContact O-N 2.84Å; N402-Y406 VanDerWaalsContact O-CD2 3.3Å; N402-Y406 WeakPolarHBondContact O-CD2 3.37Å; N402-Y406 PolarHBondContact O-N 3.08Å
403	H	96.1	Very high	92.1	Very high	5 Å²	5	63.8 Å²	63.8	2%	0.023	36%	0.356	C	S	.	.	I	π-helix	trans	-65.4	-46	176	-80	-62.8	0	0	0	112.7	M399 V400 Q401 T405 S407 L526 N549 A551 I553	M399-H403 PolarHBondContact O-CD2 2.82Å; M399-H403 PolarHBondContact O-N 3.21Å; V400-H403 PolarHBondContact O-N 3.1Å; Q401-H403 PolarHBondContact O-N 3.29Å; H403-T405 VanDerWaalsContact C-N 3.27Å; H403-T405 PolarHBondContact O-N 2.95Å; H403-S407 PolarHBondContact ND1-OG 3.12Å; H403-S407 WeakPolarHBondContact O-CA 3.3Å; H403-S407 WeakPolarHBondContact O-CB 3.43Å; H403-S407 PolarHBondContact O-N 3.04Å; H403-S407 PolarHBondContact O-OG 3.12Å; H403-L526 HydrophobicContact CB-CD1 4.02Å; H403-N549 PolarHBondContact NE2-ND2 2.96Å; H403-N549 VanDerWaalsContact NE2-ND2 3.19Å; H403-N549 PolarHBondContact NE2-OD1 3.02Å; H403-N549 VanDerWaalsContact NE2-OD1 3.09Å; H403-A551 HydrophobicContact CB-CB 4.34Å; H403-I553 HydrophobicContact CB-CD1 4.09Å
404	M	93.3	Very high	91.7	Very high	42 Å²	42	65.6 Å²	65.6	21%	0.207	36%	0.364	C	S	.	.	I	π-helix	trans	-60.2	-36.6	175.7	-68.5	-59.1	-66	0	0	112.5	V400 Q401 L408 I514 T524 L526 I553	V400-M404 WeakPolarHBondContact O-CG 3.34Å; V400-M404 PolarHBondContact O-N 3.27Å; Q401-M404 PolarHBondContact O-N 3.01Å; M404-L408 HydrophobicContact CE-CD1 3.83Å; M404-L408 HydrophobicContact SD-CD1 4.08Å; M404-I514 HydrophobicContact CE-CB 4.39Å; M404-I514 HydrophobicContact CE-CG2 4.18Å; M404-I514 HydrophobicContact CG-CG1 4.37Å; M404-I514 HydrophobicContact SD-CG1 4.27Å; M404-T524 HydrophobicContact CE-CG2 3.91Å; M404-T524 HydrophobicContact SD-CG2 3.83Å; M404-L526 HydrophobicContact CG-CD1 4.27Å; M404-L526 HydrophobicContact SD-CD1 3.94Å; M404-I553 HydrophobicContact SD-CG2 4.38Å
405	T	92.4	Very high	91.2	Very high	57 Å²	57	65.1 Å²	65.1	35%	0.35	37%	0.368	S	S	.	.	I	π-helix	trans	-75.4	-41.6	-177.7	-52.6	0	0	0	0	112.9	Q401 N402 H403 Q409	Q401-T405 PolarHBondContact NE2-OG1 2.93Å; Q401-T405 VanDerWaalsContact O-CB 3.3Å; Q401-T405 WeakPolarHBondContact O-CB 3.05Å; Q401-T405 PolarHBondContact O-N 2.87Å; Q401-T405 PolarHBondContact O-OG1 3.23Å; N402-T405 PolarHBondContact O-N 2.84Å; H403-T405 VanDerWaalsContact C-N 3.27Å; H403-T405 PolarHBondContact O-N 2.95Å; T405-Q409 PolarHBondContact O-NE2 3.03Å
406	Y	91.5	Very high	90.8	Very high	150 Å²	150	66.9 Å²	66.9	59%	0.588	38%	0.38	S	S	*	.	I	π-helix	trans	-112.3	-33	-169.4	-60.7	-66.4	0	0	0	114.6	N402	N402-Y406 VanDerWaalsContact O-CD2 3.3Å; N402-Y406 WeakPolarHBondContact O-CD2 3.37Å; N402-Y406 PolarHBondContact O-N 3.08Å
407	S	92.1	Very high	90.6	Very high	17 Å²	17	69 Å²	69	12%	0.119	39%	0.388	C	S	.	.	I	π-helix	trans	-79.1	-25	-170.9	-56.5	0	0	0	0	113.3	H403 K444 T577	H403-S407 PolarHBondContact ND1-OG 3.12Å; H403-S407 WeakPolarHBondContact O-CA 3.3Å; H403-S407 WeakPolarHBondContact O-CB 3.43Å; H403-S407 PolarHBondContact O-N 3.04Å; H403-S407 PolarHBondContact O-OG 3.12Å; S407-K444 PolarHBondContact O-NZ 2.83Å; S407-T577 WeakPolarHBondContact O-CG2 3.42Å
408	L	89.1	Confident	90.5	Very high	55 Å²	55	68.7 Å²	68.7	29%	0.288	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-14.9	178.9	-71.9	173.3	0	0	0	114.3	M404 I553	M404-L408 HydrophobicContact CE-CD1 3.83Å; M404-L408 HydrophobicContact SD-CD1 4.08Å; L408-I553 HydrophobicContact CD2-CB 4.48Å; L408-I553 HydrophobicContact CD2-CG2 3.9Å; L408-I553 HydrophobicContact CG-CG2 4.4Å
409	Q	88.5	Confident	90.3	Very high	114 Å²	114	66.9 Å²	66.9	53%	0.533	38%	0.38	S	S	.	.	S	Bend	trans	-60.7	136.2	-178.7	-57.7	-177.5	11.6	0	0	111.4	T405 K444	T405-Q409 PolarHBondContact O-NE2 3.03Å; Q409-K444 PolarHBondContact O-NZ 2.92Å
410	D	87.8	Confident	90	Very high	134 Å²	134	66.8 Å²	66.8	72%	0.717	38%	0.381	S	S	*	.			trans	-65.3	141.4	179.1	-176.8	32.7	0	0	0	111.5	G412	D410-G412 PolarHBondContact OD1-N 3.01Å
411	V	88.6	Confident	89.7	Confident	11 Å²	11	68.2 Å²	68.2	7%	0.067	39%	0.388	C	S	.	.			trans	-118.3	-6.5	179.7	-63.5	0	0	0	0	112.5	G413 D414 W417 Y429 K444	V411-G413 PolarHBondContact O-N 2.68Å; V411-G413 VanDerWaalsContact O-N 3.11Å; V411-D414 PolarHBondContact O-N 2.84Å; V411-D414 VanDerWaalsContact O-N 3.1Å; V411-W417 HydrophobicContact CB-CB 4.16Å; V411-W417 HydrophobicContact CB-CD2 4.23Å; V411-W417 HydrophobicContact CB-CG 3.82Å; V411-W417 HydrophobicContact CG1-CD2 4.03Å; V411-W417 HydrophobicContact CG1-CG 3.97Å; V411-W417 HydrophobicContact CG1-CZ2 4.38Å; V411-Y429 HydrophobicContact CG2-CD1 4Å; V411-Y429 HydrophobicContact CG2-CD2 3.73Å; V411-Y429 HydrophobicContact CG2-CE1 4.25Å; V411-Y429 HydrophobicContact CG2-CE2 4Å; V411-Y429 HydrophobicContact CG2-CG 3.74Å; V411-K444 HydrophobicContact CG1-CD 3.95Å; V411-K444 HydrophobicContact CG2-CD 3.95Å; V411-K444 HydrophobicContact CG2-CG 4.45Å
412	G	79.9	Confident	89.7	Confident	50 Å²	50	67.8 Å²	67.8	52%	0.515	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.6	-178.8	0	0	0	0	0	114.8	D410	D410-G412 PolarHBondContact OD1-N 3.01Å
413	G	79.8	Confident	89.4	Confident	76 Å²	76	68.9 Å²	68.9	78%	0.784	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	2.9	173.7	0	0	0	0	0	115.4	V411	V411-G413 PolarHBondContact O-N 2.68Å; V411-G413 VanDerWaalsContact O-N 3.11Å
414	D	86.2	Confident	89.2	Confident	57 Å²	57	71.8 Å²	71.8	31%	0.305	42%	0.421	S	S	.	.			trans	-90.8	113	179.5	-179.1	4.1	0	0	0	110.5	V411 N416 W417	V411-D414 PolarHBondContact O-N 2.84Å; V411-D414 VanDerWaalsContact O-N 3.1Å; D414-N416 PolarHBondContact O-N 3.25Å; D414-N416 WeakPolarHBondContact OD1-CB 3.25Å; D414-N416 PolarHBondContact OD1-N 3.37Å; D414-N416 PolarHBondContact OD1-ND2 3.47Å; D414-W417 PolarHBondContact O-N 3.2Å
415	A	83	Confident	89.2	Confident	104 Å²	104	76 Å²	76	86%	0.86	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-11.9	179.6	0	0	0	0	0	114.4	W417	A415-W417 VanDerWaalsContact C-N 3.33Å
416	N	89.1	Confident	89.3	Confident	105 Å²	105	73.4 Å²	73.4	56%	0.561	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-11.1	172.8	-58.9	-80.8	0	0	0	113.4	D414 R431	D414-N416 PolarHBondContact O-N 3.25Å; D414-N416 WeakPolarHBondContact OD1-CB 3.25Å; D414-N416 PolarHBondContact OD1-N 3.37Å; D414-N416 PolarHBondContact OD1-ND2 3.47Å; N416-R431 VanDerWaalsContact O-CG 3.27Å; N416-R431 WeakPolarHBondContact O-CG 3.18Å
417	W	92.9	Very high	89.5	Confident	45 Å²	45	69.5 Å²	69.5	17%	0.17	41%	0.41	C	S	.	.	S	Bend	trans	-108.9	120.6	178.5	-71.2	89.8	0	0	0	111.4	V411 D414 A415 Y429 R431 P442 K444	V411-W417 HydrophobicContact CB-CB 4.16Å; V411-W417 HydrophobicContact CB-CD2 4.23Å; V411-W417 HydrophobicContact CB-CG 3.82Å; V411-W417 HydrophobicContact CG1-CD2 4.03Å; V411-W417 HydrophobicContact CG1-CG 3.97Å; V411-W417 HydrophobicContact CG1-CZ2 4.38Å; D414-W417 PolarHBondContact O-N 3.2Å; A415-W417 VanDerWaalsContact C-N 3.33Å; W417-Y429 HydrophobicContact CB-CD1 4.45Å; W417-R431 HydrophobicContact CD2-CB 4.26Å; W417-R431 HydrophobicContact CE3-CB 4.18Å; W417-R431 HydrophobicContact CZ3-CB 4.4Å; W417-P442 HydrophobicContact CH2-CB 3.9Å; W417-P442 HydrophobicContact CZ3-CB 4.39Å; W417-P442 VanDerWaalsContact CZ3-O 3.24Å; W417-P442 WeakPolarHBondContact CZ3-O 3.29Å; W417-K444 HydrophobicContact CE3-CB 4.37Å; W417-K444 HydrophobicContact CH2-CB 3.81Å; W417-K444 HydrophobicContact CZ3-CB 3.68Å
418	Q	91.7	Very high	89.7	Confident	79 Å²	79	68.8 Å²	68.8	37%	0.369	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	120.2	173.8	-59.1	170.8	1.9	0	0	108.9	V420 Y429 R430 E432	Q418-V420 WeakPolarHBondContact O-CG2 3.34Å; Q418-V420 PolarHBondContact O-N 3.01Å; Q418-Y429 CarbonylContact O-C 3.37Å; Q418-Y429 VanDerWaalsContact O-CA 3.27Å; Q418-Y429 WeakPolarHBondContact O-CA 3.3Å; Q418-R430 WeakPolarHBondContact CB-O 3.25Å; Q418-R430 PolarHBondContact N-O 3.05Å; Q418-R430 PolarHBondContact O-N 3.28Å; Q418-R430 VanDerWaalsContact OE1-NH2 3.07Å; Q418-E432 PolarHBondContact NE2-OE2 2.94Å
419	L	92.1	Very high	90	Very high	81 Å²	81	67.2 Å²	67.2	42%	0.424	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	114.1	166	178.1	62.8	0	0	0	108.5	I421 E422 K427 Y429	L419-I421 WeakPolarHBondContact CD1-O 3.35Å; L419-E422 HydrophobicContact CD2-CB 4.37Å; L419-K427 HydrophobicContact CD1-CB 4.09Å; L419-Y429 HydrophobicContact CB-CD1 4.06Å; L419-Y429 HydrophobicContact CB-CE1 4.01Å; L419-Y429 HydrophobicContact CD1-CD1 4.09Å; L419-Y429 HydrophobicContact CD1-CE1 3.81Å; L419-Y429 HydrophobicContact CD1-CE2 4.32Å; L419-Y429 HydrophobicContact CD1-CG 4.46Å; L419-Y429 HydrophobicContact CG-CE1 4.41Å
420	V	89.6	Confident	90.2	Very high	33 Å²	33	63.4 Å²	63.4	20%	0.2	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	-43.2	-174.8	-169.2	0	0	0	0	111.2	Q418 V428 R430 K598	Q418-V420 WeakPolarHBondContact O-CG2 3.34Å; Q418-V420 PolarHBondContact O-N 3.01Å; V420-V428 PolarHBondContact N-O 2.58Å; V420-R430 HydrophobicContact CG2-CB 3.54Å; V420-K598 HydrophobicContact CG1-CB 4.13Å; V420-K598 HydrophobicContact CG1-CD 3.71Å; V420-K598 HydrophobicContact CG1-CG 3.64Å
421	I	90.6	Very high	90.4	Very high	36 Å²	36	61.8 Å²	61.8	19%	0.185	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	141.6	-177.9	-75.7	171.9	0	0	0	109.7	L419 E423 V428 K598 P602	L419-I421 WeakPolarHBondContact CD1-O 3.35Å; I421-E423 HydrophobicContact CG2-CG 4.19Å; I421-V428 HydrophobicContact CB-CB 4.38Å; I421-V428 PolarHBondContact N-O 3.11Å; I421-V428 PolarHBondContact O-N 2.88Å; I421-K598 HydrophobicContact CD1-CG 3.95Å; I421-K598 WeakPolarHBondContact CD1-O 3.4Å; I421-P602 HydrophobicContact CD1-CB 4.44Å; I421-P602 HydrophobicContact CD1-CG 3.5Å; I421-P602 HydrophobicContact CG2-CG 4.36Å
422	E	93.4	Very high	90.5	Very high	109 Å²	109	65.4 Å²	65.4	51%	0.509	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	114.2	171.2	178.9	164.5	-147	0	0	108.9	L419 M426 K427	L419-E422 HydrophobicContact CD2-CB 4.37Å; E422-M426 CarbonylContact C-O 3.33Å; E422-M426 WeakPolarHBondContact CA-O 3.29Å; E422-K427 HydrophobicContact CG-CG 4.27Å; E422-K427 WeakPolarHBondContact OE1-CE 3.28Å; E422-K427 IonicContact OE1-NZ 2.62Å; E422-K427 PolarHBondContact OE1-NZ 2.94Å
423	E	90.1	Very high	91.1	Very high	86 Å²	86	64.8 Å²	64.8	40%	0.402	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	88.5	178.9	-82.8	-168.1	-133.4	0	0	109.6	I421 E425 M426 K606	I421-E423 HydrophobicContact CG2-CG 4.19Å; E423-E425 PolarHBondContact O-N 3.17Å; E423-E425 VanDerWaalsContact O-N 3.16Å; E423-M426 HydrophobicContact CB-CB 4.47Å; E423-M426 HydrophobicContact CB-CE 3.96Å; E423-M426 PolarHBondContact N-O 3.26Å; E423-M426 WeakPolarHBondContact O-CB 3.38Å; E423-M426 PolarHBondContact O-N 3.18Å; E423-K606 IonicContact OE2-NZ 3.82Å; E423-K606 PolarHBondContact OE2-NZ 2.81Å
424	G	91.8	Very high	91.4	Very high	67 Å²	67	66.1 Å²	66.1	69%	0.691	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	-115.2	-178.1	0	0	0	0	0	111.7	M426	G424-M426 VanDerWaalsContact C-N 3.3Å
425	E	92.8	Very high	91.4	Very high	130 Å²	130	68.7 Å²	68.7	61%	0.607	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-3.4	176.3	-61	-64.1	159.2	0	0	113.4	E423 H447 A448	E423-E425 PolarHBondContact O-N 3.17Å; E423-E425 VanDerWaalsContact O-N 3.16Å; E425-H447 VanDerWaalsContact O-CA 3.31Å; E425-H447 WeakPolarHBondContact O-CA 3.37Å; E425-H447 PolarHBondContact O-ND1 3.39Å; E425-A448 HydrophobicContact CB-CB 4.12Å; E425-A448 HydrophobicContact CG-CB 4.44Å
426	M	95.1	Very high	91.3	Very high	3 Å²	3	71.7 Å²	71.7	2%	0.015	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	128	177.8	-175.1	170.8	59.1	0	0	110.9	E422 E423 G424 V428 T446 H447 P602 L605 K606	E422-M426 CarbonylContact C-O 3.33Å; E422-M426 WeakPolarHBondContact CA-O 3.29Å; E423-M426 HydrophobicContact CB-CB 4.47Å; E423-M426 HydrophobicContact CB-CE 3.96Å; E423-M426 PolarHBondContact N-O 3.26Å; E423-M426 WeakPolarHBondContact O-CB 3.38Å; E423-M426 PolarHBondContact O-N 3.18Å; G424-M426 VanDerWaalsContact C-N 3.3Å; M426-V428 HydrophobicContact CG-CG2 4.3Å; M426-T446 WeakPolarHBondContact CA-O 3.28Å; M426-H447 HydrophobicContact CG-CB 4.47Å; M426-H447 PolarHBondContact N-ND1 3.41Å; M426-P602 HydrophobicContact CE-CB 3.77Å; M426-P602 HydrophobicContact SD-CB 4.43Å; M426-L605 HydrophobicContact SD-CB 3.76Å; M426-L605 HydrophobicContact SD-CD1 4.19Å; M426-K606 HydrophobicContact CE-CB 4.45Å
427	K	95.7	Very high	90.7	Very high	67 Å²	67	69.1 Å²	69.1	29%	0.291	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	132	175.2	-49.6	-164.4	-171.1	-150.2	0	110.1	L419 E422 Y429 A445 T446	L419-K427 HydrophobicContact CD1-CB 4.09Å; E422-K427 HydrophobicContact CG-CG 4.27Å; E422-K427 WeakPolarHBondContact OE1-CE 3.28Å; E422-K427 IonicContact OE1-NZ 2.62Å; E422-K427 PolarHBondContact OE1-NZ 2.94Å; K427-Y429 HydrophobicContact CB-CD2 4.41Å; K427-Y429 HydrophobicContact CB-CE2 3.6Å; K427-A445 CarbonylContact O-C 3.6Å; K427-A445 WeakPolarHBondContact O-CA 3.34Å; K427-T446 PolarHBondContact N-O 2.7Å; K427-T446 PolarHBondContact O-N 2.73Å
428	V	95.2	Very high	90.3	Very high	3 Å²	3	69.2 Å²	69.2	2%	0.018	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	117.3	-176	-175.4	0	0	0	0	109.5	V420 I421 M426 L443 A445 P602	V420-V428 PolarHBondContact N-O 2.58Å; I421-V428 HydrophobicContact CB-CB 4.38Å; I421-V428 PolarHBondContact N-O 3.11Å; I421-V428 PolarHBondContact O-N 2.88Å; M426-V428 HydrophobicContact CG-CG2 4.3Å; V428-L443 HydrophobicContact CG1-CD1 4.43Å; V428-L443 HydrophobicContact CG1-CD2 3.57Å; V428-A445 HydrophobicContact CG2-CB 4.06Å; V428-P602 HydrophobicContact CG2-CG 4.23Å
429	Y	95.1	Very high	90.1	Very high	22 Å²	22	65.9 Å²	65.9	9%	0.086	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	138.1	-175.9	-57.6	-96.7	0	0	0	111	V411 W417 Q418 L419 K427 L443 K444	V411-Y429 HydrophobicContact CG2-CD1 4Å; V411-Y429 HydrophobicContact CG2-CD2 3.73Å; V411-Y429 HydrophobicContact CG2-CE1 4.25Å; V411-Y429 HydrophobicContact CG2-CE2 4Å; V411-Y429 HydrophobicContact CG2-CG 3.74Å; W417-Y429 HydrophobicContact CB-CD1 4.45Å; Q418-Y429 CarbonylContact O-C 3.37Å; Q418-Y429 VanDerWaalsContact O-CA 3.27Å; Q418-Y429 WeakPolarHBondContact O-CA 3.3Å; L419-Y429 HydrophobicContact CB-CD1 4.06Å; L419-Y429 HydrophobicContact CB-CE1 4.01Å; L419-Y429 HydrophobicContact CD1-CD1 4.09Å; L419-Y429 HydrophobicContact CD1-CE1 3.81Å; L419-Y429 HydrophobicContact CD1-CE2 4.32Å; L419-Y429 HydrophobicContact CD1-CG 4.46Å; L419-Y429 HydrophobicContact CG-CE1 4.41Å; K427-Y429 HydrophobicContact CB-CD2 4.41Å; K427-Y429 HydrophobicContact CB-CE2 3.6Å; Y429-L443 WeakPolarHBondContact O-CD2 3.43Å; Y429-K444 WeakPolarHBondContact CA-O 3.48Å; Y429-K444 WeakPolarHBondContact CB-O 3.17Å; Y429-K444 PolarHBondContact N-O 3.43Å; Y429-K444 PolarHBondContact O-N 2.79Å; Y429-K444 VanDerWaalsContact O-O 3.1Å
430	R	93.1	Very high	90.1	Very high	33 Å²	33	63.5 Å²	63.5	13%	0.125	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	140.3	175	-173.6	-176.2	72.4	-156.2	-1.8	110	Q418 V420 E432 D441 P442	Q418-R430 WeakPolarHBondContact CB-O 3.25Å; Q418-R430 PolarHBondContact N-O 3.05Å; Q418-R430 PolarHBondContact O-N 3.28Å; Q418-R430 VanDerWaalsContact OE1-NH2 3.07Å; V420-R430 HydrophobicContact CG2-CB 3.54Å; R430-E432 IonicContact CZ-OE1 3.82Å; R430-E432 IonicContact NE-OE1 3.18Å; R430-E432 IonicContact NH2-OE1 3.98Å; R430-E432 PolarHBondContact NH2-OE1 3.42Å; R430-D441 VanDerWaalsContact CD-OD2 3.29Å; R430-D441 WeakPolarHBondContact CD-OD2 3.31Å; R430-D441 HydrophobicContact CG-CB 3.95Å; R430-D441 IonicContact NE-OD2 2.77Å; R430-P442 WeakPolarHBondContact CA-O 3.35Å
431	R	92.3	Very high	90.2	Very high	100 Å²	100	62.8 Å²	62.8	38%	0.377	33%	0.33	S	S	.	.			trans	-104.8	131.7	160	-179.1	170.9	71.3	-159	1.9	108.4	N416 W417 V433 D441 P442	N416-R431 VanDerWaalsContact O-CG 3.27Å; N416-R431 WeakPolarHBondContact O-CG 3.18Å; W417-R431 HydrophobicContact CD2-CB 4.26Å; W417-R431 HydrophobicContact CE3-CB 4.18Å; W417-R431 HydrophobicContact CZ3-CB 4.4Å; R431-V433 HydrophobicContact CG-CG2 4.02Å; R431-D441 CarbonylContact O-C 3.59Å; R431-D441 WeakPolarHBondContact O-CA 3.49Å; R431-D441 WeakPolarHBondContact O-CB 3.33Å; R431-P442 PolarHBondContact N-O 2.96Å; R431-P442 VanDerWaalsContact O-CD 3.25Å; R431-P442 WeakPolarHBondContact O-CD 3.17Å
432	E	91.1	Very high	90.4	Very high	87 Å²	87	61.6 Å²	61.6	41%	0.407	32%	0.324	S	S	.	.			trans	-80.9	124.5	177.1	-66.9	-178.3	140.3	0	0	110.1	Q418 R430 D441 R594	Q418-E432 PolarHBondContact NE2-OE2 2.94Å; R430-E432 IonicContact CZ-OE1 3.82Å; R430-E432 IonicContact NE-OE1 3.18Å; R430-E432 IonicContact NH2-OE1 3.98Å; R430-E432 PolarHBondContact NH2-OE1 3.42Å; E432-D441 VanDerWaalsContact CA-OD1 3.31Å; E432-D441 WeakPolarHBondContact CA-OD1 3.48Å; E432-R594 IonicContact OE1-CZ 3.61Å; E432-R594 IonicContact OE1-NE 3.78Å; E432-R594 PolarHBondContact OE1-NE 2.82Å
433	V	91.8	Very high	90.4	Very high	38 Å²	38	56.8 Å²	56.8	23%	0.23	30%	0.302	C	S	.	.			trans	-145.1	122.8	-177.4	-177.7	0	0	0	0	109.1	R431 L440 D441 P442	R431-V433 HydrophobicContact CG-CG2 4.02Å; V433-L440 HydrophobicContact CG1-CB 4.31Å; V433-L440 PolarHBondContact O-N 3.19Å; V433-D441 PolarHBondContact N-OD1 3.46Å; V433-D441 PolarHBondContact O-N 3.48Å; V433-P442 VanDerWaalsContact CG2-CD 3.47Å; V433-P442 HydrophobicContact CG2-CG 4.12Å
434	E	87.1	Confident	90.7	Very high	103 Å²	103	53.1 Å²	53.1	48%	0.481	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	124.1	175.3	-73.7	176	-141.7	0	0	110.5	I438 V439 R594	E434-I438 WeakPolarHBondContact CA-O 3.46Å; E434-V439 HydrophobicContact CG-CG2 3.97Å; E434-R594 IonicContact OE1-CZ 2.78Å; E434-R594 IonicContact OE1-NH1 3.26Å; E434-R594 PolarHBondContact OE1-NH1 3.16Å; E434-R594 IonicContact OE1-NH2 3.28Å; E434-R594 PolarHBondContact OE1-NH2 3.41Å
435	E	86.1	Confident	91	Very high	112 Å²	112	50 Å²	50	52%	0.523	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	121.7	174.7	-71.2	-173.5	-176.2	0	0	109.4	G437 I438 L440	E435-G437 PolarHBondContact O-N 3.43Å; E435-G437 VanDerWaalsContact O-N 3.15Å; E435-I438 PolarHBondContact N-O 2.84Å; E435-I438 WeakPolarHBondContact O-CB 3.35Å; E435-I438 PolarHBondContact O-N 2.58Å; E435-L440 HydrophobicContact CB-CD1 3.85Å; E435-L440 HydrophobicContact CG-CD1 3.74Å
436	N	81.1	Confident	91.1	Very high	166 Å²	166	45.7 Å²	45.7	89%	0.888	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.3	28.8	-179.6	-50	-73.9	0	0	0	114.3	I438	N436-I438 VanDerWaalsContact C-N 3.34Å
437	G	76.4	Confident	91.2	Very high	51 Å²	51	47.1 Å²	47.1	53%	0.526	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	14.1	-175.2	0	0	0	0	0	114.5	E435	E435-G437 PolarHBondContact O-N 3.43Å; E435-G437 VanDerWaalsContact O-N 3.15Å
438	I	83.9	Confident	91.3	Very high	48 Å²	48	44.8 Å²	44.8	25%	0.246	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	123.6	171.5	-56.2	-179.6	0	0	0	108.3	E434 E435 N436 L440 P584	E434-I438 WeakPolarHBondContact CA-O 3.46Å; E435-I438 PolarHBondContact N-O 2.84Å; E435-I438 WeakPolarHBondContact O-CB 3.35Å; E435-I438 PolarHBondContact O-N 2.58Å; N436-I438 VanDerWaalsContact C-N 3.34Å; I438-L440 HydrophobicContact CG2-CD2 4.09Å; I438-L440 PolarHBondContact O-N 3.18Å; I438-P584 HydrophobicContact CG2-CG 3.58Å
439	V	87.6	Confident	91.4	Very high	9 Å²	9	44.9 Å²	44.9	6%	0.055	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	127.1	172.7	177.7	0	0	0	0	110.1	E434 D441 P584 A590 L593	E434-V439 HydrophobicContact CG-CG2 3.97Å; V439-D441 HydrophobicContact CG1-CB 3.82Å; V439-D441 VanDerWaalsContact CG1-CG 3.44Å; V439-D441 WeakPolarHBondContact CG1-OD1 3.47Å; V439-P584 WeakPolarHBondContact O-CD 3.3Å; V439-A590 HydrophobicContact CG2-CB 3.4Å; V439-A590 VanDerWaalsContact CG2-CB 3.4Å; V439-L593 HydrophobicContact CB-CD1 3.94Å; V439-L593 HydrophobicContact CG1-CD1 4.48Å
440	L	91.6	Very high	91.5	Very high	30 Å²	30	51.1 Å²	51.1	16%	0.157	26%	0.263	C	S	.	.			trans	-120.6	4.2	175.2	-57	-176.1	0	0	0	112.7	V433 E435 I438 P442 N583	V433-L440 HydrophobicContact CG1-CB 4.31Å; V433-L440 PolarHBondContact O-N 3.19Å; E435-L440 HydrophobicContact CB-CD1 3.85Å; E435-L440 HydrophobicContact CG-CD1 3.74Å; I438-L440 HydrophobicContact CG2-CD2 4.09Å; I438-L440 PolarHBondContact O-N 3.18Å; L440-P442 WeakPolarHBondContact O-CD 3.43Å; L440-N583 HydrophobicContact CD2-CB 3.66Å; L440-N583 WeakPolarHBondContact CD2-ND2 3.36Å
441	D	92	Very high	91.7	Very high	19 Å²	19	50.2 Å²	50.2	10%	0.102	26%	0.264	C	S	.	.			trans	-25.2	98.7	-175.4	-76.9	13.9	0	0	0	114.7	R430 R431 E432 V433 V439 L443 R594	R430-D441 VanDerWaalsContact CD-OD2 3.29Å; R430-D441 WeakPolarHBondContact CD-OD2 3.31Å; R430-D441 HydrophobicContact CG-CB 3.95Å; R430-D441 IonicContact NE-OD2 2.77Å; R431-D441 CarbonylContact O-C 3.59Å; R431-D441 WeakPolarHBondContact O-CA 3.49Å; R431-D441 WeakPolarHBondContact O-CB 3.33Å; E432-D441 VanDerWaalsContact CA-OD1 3.31Å; E432-D441 WeakPolarHBondContact CA-OD1 3.48Å; V433-D441 PolarHBondContact N-OD1 3.46Å; V433-D441 PolarHBondContact O-N 3.48Å; V439-D441 HydrophobicContact CG1-CB 3.82Å; V439-D441 VanDerWaalsContact CG1-CG 3.44Å; V439-D441 WeakPolarHBondContact CG1-OD1 3.47Å; D441-L443 PolarHBondContact O-N 2.86Å; D441-R594 IonicContact OD1-CZ 2.72Å; D441-R594 IonicContact OD1-NE 2.83Å; D441-R594 IonicContact OD1-NH2 3.52Å; D441-R594 PolarHBondContact OD1-NH2 3Å; D441-R594 WeakPolarHBondContact OD2-CG 3.48Å; D441-R594 IonicContact OD2-CZ 3.18Å; D441-R594 IonicContact OD2-NE 2.66Å; D441-R594 PolarHBondContact OD2-NE 2.97Å; D441-R594 IonicContact OD2-NH2 3.42Å; D441-R594 PolarHBondContact OD2-NH2 3.46Å
442	P	94.3	Very high	91.9	Very high	10 Å²	10	45.5 Å²	45.5	7%	0.065	25%	0.246	C	C	.	.			trans	-60.3	129.9	176.6	-28.4	38.3	0	0	0	111.6	W417 R430 R431 V433 L440	W417-P442 HydrophobicContact CH2-CB 3.9Å; W417-P442 HydrophobicContact CZ3-CB 4.39Å; W417-P442 VanDerWaalsContact CZ3-O 3.24Å; W417-P442 WeakPolarHBondContact CZ3-O 3.29Å; R430-P442 WeakPolarHBondContact CA-O 3.35Å; R431-P442 PolarHBondContact N-O 2.96Å; R431-P442 VanDerWaalsContact O-CD 3.25Å; R431-P442 WeakPolarHBondContact O-CD 3.17Å; V433-P442 VanDerWaalsContact CG2-CD 3.47Å; V433-P442 HydrophobicContact CG2-CG 4.12Å; L440-P442 WeakPolarHBondContact O-CD 3.43Å
443	L	95.1	Very high	92.3	Very high	9 Å²	9	41.3 Å²	41.3	5%	0.047	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	128.5	179.3	-172.7	-71.4	0	0	0	109	V428 Y429 D441 A445 Y578 V579 A580 Y601	V428-L443 HydrophobicContact CG1-CD1 4.43Å; V428-L443 HydrophobicContact CG1-CD2 3.57Å; Y429-L443 WeakPolarHBondContact O-CD2 3.43Å; D441-L443 PolarHBondContact O-N 2.86Å; L443-A445 HydrophobicContact CD1-CB 4.49Å; L443-Y578 HydrophobicContact CD1-CD1 4.13Å; L443-Y578 HydrophobicContact CD1-CE1 4.18Å; L443-V579 CarbonylContact O-C 3.55Å; L443-V579 WeakPolarHBondContact O-CA 3.25Å; L443-A580 HydrophobicContact CB-CB 4.29Å; L443-A580 WeakPolarHBondContact CB-O 3.3Å; L443-A580 PolarHBondContact N-O 2.91Å; L443-A580 PolarHBondContact O-N 3.43Å; L443-Y601 HydrophobicContact CB-CE2 4.31Å; L443-Y601 HydrophobicContact CD1-CD1 4.25Å; L443-Y601 HydrophobicContact CD1-CD2 4.21Å; L443-Y601 HydrophobicContact CD1-CG 4.05Å; L443-Y601 HydrophobicContact CD2-CD2 4.13Å; L443-Y601 HydrophobicContact CG-CD1 4.5Å; L443-Y601 HydrophobicContact CG-CD2 3.65Å; L443-Y601 HydrophobicContact CG-CE2 3.81Å; L443-Y601 HydrophobicContact CG-CG 4.02Å
444	K	96.6	Very high	92.5	Very high	9 Å²	9	39.5 Å²	39.5	4%	0.039	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	129.6	168.8	171.7	166.6	169.2	161.8	0	109.2	S407 Q409 V411 W417 Y429 T577 Y578 V579	S407-K444 PolarHBondContact O-NZ 2.83Å; Q409-K444 PolarHBondContact O-NZ 2.92Å; V411-K444 HydrophobicContact CG1-CD 3.95Å; V411-K444 HydrophobicContact CG2-CD 3.95Å; V411-K444 HydrophobicContact CG2-CG 4.45Å; W417-K444 HydrophobicContact CE3-CB 4.37Å; W417-K444 HydrophobicContact CH2-CB 3.81Å; W417-K444 HydrophobicContact CZ3-CB 3.68Å; Y429-K444 WeakPolarHBondContact CA-O 3.48Å; Y429-K444 WeakPolarHBondContact CB-O 3.17Å; Y429-K444 PolarHBondContact N-O 3.43Å; Y429-K444 PolarHBondContact O-N 2.79Å; Y429-K444 VanDerWaalsContact O-O 3.1Å; K444-T577 HydrophobicContact CD-CG2 4.42Å; K444-Y578 CarbonylContact C-O 3.56Å; K444-Y578 WeakPolarHBondContact CA-O 3.31Å; K444-V579 HydrophobicContact CB-CG1 4.02Å; K444-V579 HydrophobicContact CD-CG1 4.25Å; K444-V579 HydrophobicContact CG-CG1 3.99Å
445	A	96.4	Very high	93.1	Very high	2 Å²	2	36.4 Å²	36.4	2%	0.017	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	145.6	170.6	0	0	0	0	0	110.9	K427 V428 L443 T577 Y578 L605	K427-A445 CarbonylContact O-C 3.6Å; K427-A445 WeakPolarHBondContact O-CA 3.34Å; V428-A445 HydrophobicContact CG2-CB 4.06Å; L443-A445 HydrophobicContact CD1-CB 4.49Å; A445-T577 WeakPolarHBondContact O-CA 3.44Å; A445-Y578 PolarHBondContact N-O 2.89Å; A445-Y578 PolarHBondContact O-N 2.83Å; A445-L605 HydrophobicContact CB-CD1 3.42Å; A445-L605 VanDerWaalsContact CB-CD1 3.42Å
446	T	96.7	Very high	93.6	Very high	39 Å²	39	31.4 Å²	31.4	24%	0.239	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	141.9	169	53.2	0	0	0	0	109.4	M426 K427 I576	M426-T446 WeakPolarHBondContact CA-O 3.28Å; K427-T446 PolarHBondContact N-O 2.7Å; K427-T446 PolarHBondContact O-N 2.73Å; T446-I576 WeakPolarHBondContact CA-O 3.43Å
447	H	97.1	Very high	94.5	Very high	33 Å²	33	23.5 Å²	23.5	15%	0.153	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	150.9	177.6	-165.4	22.9	0	0	0	111.2	E425 M426 I576	E425-H447 VanDerWaalsContact O-CA 3.31Å; E425-H447 WeakPolarHBondContact O-CA 3.37Å; E425-H447 PolarHBondContact O-ND1 3.39Å; M426-H447 HydrophobicContact CG-CB 4.47Å; M426-H447 PolarHBondContact N-ND1 3.41Å; H447-I576 HydrophobicContact CB-CB 4.36Å; H447-I576 PolarHBondContact N-O 2.73Å; H447-I576 PolarHBondContact O-N 2.96Å
448	A	97	Very high	95.5	Very high	18 Å²	18	21.1 Å²	21.1	15%	0.149	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	117.4	175	0	0	0	0	0	110.2	E425 L573 C574	E425-A448 HydrophobicContact CB-CB 4.12Å; E425-A448 HydrophobicContact CG-CB 4.44Å; A448-L573 HydrophobicContact CB-CD1 4.06Å; A448-L573 HydrophobicContact CB-CD2 4.38Å; A448-L573 HydrophobicContact CB-CG 4.37Å; A448-C574 WeakPolarHBondContact CA-O 3.21Å
449	V	97.5	Very high	96.2	Very high	4 Å²	4	22.3 Å²	22.3	2%	0.024	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	122.4	-170.4	-171.2	0	0	0	0	109.8	V452 L573 C574 I576 T609 Q613	V449-V452 HydrophobicContact CB-CG2 3.94Å; V449-V452 HydrophobicContact CG1-CG2 3.63Å; V449-L573 CarbonylContact O-C 3.52Å; V449-L573 WeakPolarHBondContact O-CA 3.48Å; V449-C574 PolarHBondContact N-O 3.04Å; V449-C574 PolarHBondContact O-N 2.76Å; V449-I576 HydrophobicContact CG2-CD1 3.62Å; V449-I576 HydrophobicContact CG2-CG1 4.44Å; V449-T609 HydrophobicContact CG2-CG2 3.68Å; V449-Q613 HydrophobicContact CG1-CG 3.9Å
450	K	96.9	Very high	96.7	Very high	153 Å²	153	24 Å²	24	67%	0.665	12%	0.121	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	151	179.4	-66.1	177.5	-177.7	178	0	111.2	V452 L573 Q613	K450-V452 VanDerWaalsContact C-N 3.31Å; K450-V452 PolarHBondContact O-N 2.88Å; K450-L573 HydrophobicContact CB-CD1 4.5Å; K450-L573 HydrophobicContact CG-CD1 3.57Å; K450-Q613 PolarHBondContact O-NE2 3.39Å
451	G	96.4	Very high	97.1	Very high	15 Å²	15	23 Å²	23	16%	0.155	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	3.1	171.1	0	0	0	0	0	116.4	R569 I572	G451-R569 VanDerWaalsContact CA-O 3.23Å; G451-R569 WeakPolarHBondContact CA-O 3.41Å; G451-R569 PolarHBondContact N-O 3.31Å; G451-R569 WeakPolarHBondContact O-CD 3.4Å; G451-R569 PolarHBondContact O-NH1 3.08Å; G451-I572 PolarHBondContact N-O 3.03Å
452	V	97.8	Very high	97.4	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.118	C	C	.	.			trans	-132.1	154	178	-58.2	0	0	0	0	110.7	V449 K450 E456 V457 C574 V612 Q613	V449-V452 HydrophobicContact CB-CG2 3.94Å; V449-V452 HydrophobicContact CG1-CG2 3.63Å; K450-V452 VanDerWaalsContact C-N 3.31Å; K450-V452 PolarHBondContact O-N 2.88Å; V452-E456 VanDerWaalsContact CA-OE2 3.3Å; V452-E456 WeakPolarHBondContact CA-OE2 3.45Å; V452-V457 HydrophobicContact CB-CG2 4.24Å; V452-V457 HydrophobicContact CG2-CG2 3.68Å; V452-C574 HydrophobicContact CG2-CB 3.87Å; V452-C574 WeakPolarHBondContact O-CB 3.49Å; V452-V612 HydrophobicContact CB-CG1 4.27Å; V452-V612 HydrophobicContact CG1-CG1 3.89Å; V452-Q613 HydrophobicContact CG1-CB 4.4Å; V452-Q613 HydrophobicContact CG1-CG 3.72Å
453	T	98.1	Very high	97.5	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.123	C	C	.	.			trans	-96.7	166.3	171.3	74	0	0	0	0	112.1	H455 E456 V457 T556 I572 I621 L622 F623	T453-H455 VanDerWaalsContact C-N 3.26Å; T453-H455 PolarHBondContact O-N 3.25Å; T453-H455 PolarHBondContact OG1-N 2.97Å; T453-E456 PolarHBondContact N-OE2 3.15Å; T453-E456 PolarHBondContact O-N 3.14Å; T453-E456 WeakPolarHBondContact OG1-CG 3.33Å; T453-E456 PolarHBondContact OG1-N 3.35Å; T453-V457 WeakPolarHBondContact O-CG2 3.42Å; T453-V457 PolarHBondContact O-N 3.47Å; T453-V457 VanDerWaalsContact O-N 3.08Å; T453-T556 HydrophobicContact CG2-CG2 4.09Å; T453-I572 HydrophobicContact CG2-CD1 3.88Å; T453-I621 HydrophobicContact CG2-CG2 3.53Å; T453-L622 VanDerWaalsContact CB-O 3.31Å; T453-L622 WeakPolarHBondContact CB-O 3.4Å; T453-L622 WeakPolarHBondContact CG2-O 3.46Å; T453-L622 PolarHBondContact OG1-O 2.77Å; T453-F623 HydrophobicContact CG2-CD1 4.13Å; T453-F623 HydrophobicContact CG2-CE1 4.4Å
454	G	97.9	Very high	97.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-64.7	-28	169.6	0	0	0	0	0	113.9	C458 W525 T556	G454-C458 VanDerWaalsContact O-CB 3.27Å; G454-C458 WeakPolarHBondContact O-CB 3.3Å; G454-C458 PolarHBondContact O-N 2.96Å; G454-C458 PolarHBondContact O-SG 3.23Å; G454-W525 WeakPolarHBondContact O-CB 3.42Å; G454-T556 PolarHBondContact N-OG1 3.35Å
455	H	97.9	Very high	97.5	Very high	37 Å²	37	32.6 Å²	32.6	17%	0.171	17%	0.165	C	C	.	.	H	α-helix	trans	-65.6	-50.5	173.4	-165	165.2	0	0	0	110.2	T453 V457 C458 H459 W525 L622 F623	T453-H455 VanDerWaalsContact C-N 3.26Å; T453-H455 PolarHBondContact O-N 3.25Å; T453-H455 PolarHBondContact OG1-N 2.97Å; H455-V457 PolarHBondContact O-N 3.13Å; H455-C458 PolarHBondContact O-N 3.48Å; H455-H459 WeakPolarHBondContact O-CB 3.4Å; H455-H459 PolarHBondContact O-N 3.18Å; H455-W525 HydrophobicContact CB-CD2 4.14Å; H455-W525 HydrophobicContact CB-CG 4.25Å; H455-W525 HydrophobicContact CB-CZ2 4.09Å; H455-W525 AromaticContact CD2-CE2 3.87Å; H455-W525 AromaticContact CD2-CH2 3.64Å; H455-W525 AromaticContact CD2-CZ2 3.58Å; H455-W525 AromaticContact CE1-CH2 3.57Å; H455-W525 AromaticContact CE1-CZ2 3.34Å; H455-W525 WeakPolarHBondContact CE1-CZ2 3.25Å; H455-W525 AromaticContact CG-CE2 3.44Å; H455-W525 VanDerWaalsContact CG-CE2 3.44Å; H455-W525 AromaticContact CG-CH2 3.94Å; H455-W525 AromaticContact CG-CZ2 3.36Å; H455-W525 AromaticContact CG-NE1 3.71Å; H455-W525 AromaticContact ND1-CE2 3.67Å; H455-W525 AromaticContact ND1-CH2 3.87Å; H455-W525 AromaticContact ND1-CZ2 3.19Å; H455-W525 WeakPolarHBondContact ND1-CZ2 3.3Å; H455-W525 AromaticContact ND1-NE1 3.96Å; H455-W525 AromaticContact NE2-CH2 3.41Å; H455-W525 WeakPolarHBondContact NE2-CH2 3.39Å; H455-W525 AromaticContact NE2-CZ2 3.59Å; H455-L622 HydrophobicContact CB-CG 4.44Å; H455-F623 PolarHBondContact ND1-O 2.78Å
456	E	98.4	Very high	97.5	Very high	7 Å²	7	33.5 Å²	33.5	3%	0.033	17%	0.17	C	C	.	.	H	α-helix	trans	-59	-46.9	179.1	-68.5	169.8	155.8	0	0	111	V452 T453 H459 Y460 R569 V612 T616 L622	V452-E456 VanDerWaalsContact CA-OE2 3.3Å; V452-E456 WeakPolarHBondContact CA-OE2 3.45Å; T453-E456 PolarHBondContact N-OE2 3.15Å; T453-E456 PolarHBondContact O-N 3.14Å; T453-E456 WeakPolarHBondContact OG1-CG 3.33Å; T453-E456 PolarHBondContact OG1-N 3.35Å; E456-H459 PolarHBondContact O-N 2.93Å; E456-Y460 VanDerWaalsContact O-CD2 3.27Å; E456-Y460 WeakPolarHBondContact O-CD2 3.11Å; E456-Y460 PolarHBondContact O-N 3.23Å; E456-Y460 VanDerWaalsContact O-N 3.08Å; E456-R569 VanDerWaalsContact CD-NH1 3.34Å; E456-R569 IonicContact OE1-CZ 2.73Å; E456-R569 IonicContact OE1-NH1 2.77Å; E456-R569 PolarHBondContact OE1-NH1 3.43Å; E456-R569 IonicContact OE1-NH2 2.73Å; E456-R569 PolarHBondContact OE1-NH2 3.44Å; E456-R569 IonicContact OE2-CZ 3Å; E456-R569 IonicContact OE2-NH1 3.64Å; E456-R569 PolarHBondContact OE2-NH1 3.39Å; E456-R569 IonicContact OE2-NH2 3.63Å; E456-V612 HydrophobicContact CB-CG1 4.32Å; E456-T616 HydrophobicContact CB-CG2 3.99Å; E456-T616 HydrophobicContact CG-CG2 4.03Å; E456-L622 HydrophobicContact CG-CB 3.97Å; E456-L622 PolarHBondContact OE1-N 3.11Å
457	V	98.6	Very high	97.3	Very high	1 Å²	1	32 Å²	32	1%	0.006	16%	0.16	C	C	.	.	H	α-helix	trans	-63.2	-46.1	178	175.5	0	0	0	0	111.9	V452 T453 H455 F461 M552 C554 C574 I576 F608 V612	V452-V457 HydrophobicContact CB-CG2 4.24Å; V452-V457 HydrophobicContact CG2-CG2 3.68Å; T453-V457 WeakPolarHBondContact O-CG2 3.42Å; T453-V457 PolarHBondContact O-N 3.47Å; T453-V457 VanDerWaalsContact O-N 3.08Å; H455-V457 PolarHBondContact O-N 3.13Å; V457-F461 WeakPolarHBondContact O-CB 2.97Å; V457-F461 PolarHBondContact O-N 3.19Å; V457-F461 VanDerWaalsContact O-N 3.13Å; V457-M552 HydrophobicContact CG1-CG 4.47Å; V457-C554 VanDerWaalsContact CG1-SG 3.55Å; V457-C574 HydrophobicContact CG2-CB 4.5Å; V457-I576 HydrophobicContact CG1-CD1 3.92Å; V457-I576 HydrophobicContact CG1-CG1 4.41Å; V457-I576 HydrophobicContact CG2-CD1 4.46Å; V457-F608 HydrophobicContact CG1-CE1 3.93Å; V457-F608 WeakPolarHBondContact O-CZ 3.33Å; V457-V612 HydrophobicContact CG2-CG1 4.1Å
458	C	98.6	Very high	97.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-67.9	-37.6	178.1	-76.1	0	0	0	0	112.6	G454 H455 F461 W462 I511 W525 V527 C554	G454-C458 VanDerWaalsContact O-CB 3.27Å; G454-C458 WeakPolarHBondContact O-CB 3.3Å; G454-C458 PolarHBondContact O-N 2.96Å; G454-C458 PolarHBondContact O-SG 3.23Å; H455-C458 PolarHBondContact O-N 3.48Å; C458-F461 PolarHBondContact O-N 2.97Å; C458-W462 WeakPolarHBondContact O-CB 3.36Å; C458-W462 PolarHBondContact O-N 3.13Å; C458-I511 HydrophobicContact CB-CD1 3.89Å; C458-I511 HydrophobicContact CB-CG1 4.4Å; C458-W525 HydrophobicContact CB-CB 4.08Å; C458-W525 VanDerWaalsContact SG-C 3.6Å; C458-V527 HydrophobicContact CB-CG2 3.71Å; C458-V527 WeakPolarHBondContact O-CG2 3.39Å; C458-C554 VanDerWaalsContact SG-SG 3.7Å
459	H	98.1	Very high	96.9	Very high	73 Å²	73	38.4 Å²	38.4	34%	0.338	19%	0.193	S	C	.	.	H	α-helix	trans	-60.1	-55.2	176.7	176.3	58.7	0	0	0	111.4	H455 E456 F461 W462 D463	H455-H459 WeakPolarHBondContact O-CB 3.4Å; H455-H459 PolarHBondContact O-N 3.18Å; E456-H459 PolarHBondContact O-N 2.93Å; H459-F461 PolarHBondContact O-N 2.67Å; H459-W462 PolarHBondContact O-N 3.29Å; H459-D463 VanDerWaalsContact O-CB 3.3Å; H459-D463 WeakPolarHBondContact O-CB 3.3Å; H459-D463 PolarHBondContact O-N 2.89Å
460	Y	98.4	Very high	96.7	Very high	45 Å²	45	38.4 Å²	38.4	18%	0.176	19%	0.192	C	C	.	.	H	α-helix	trans	-67.4	-18.1	178.2	-76.6	-68.2	0	0	0	114.2	E456 V466 W470 Y611 V612 K615 T616	E456-Y460 VanDerWaalsContact O-CD2 3.27Å; E456-Y460 WeakPolarHBondContact O-CD2 3.11Å; E456-Y460 PolarHBondContact O-N 3.23Å; E456-Y460 VanDerWaalsContact O-N 3.08Å; Y460-V466 HydrophobicContact CD1-CG1 4.28Å; Y460-V466 HydrophobicContact CD1-CG2 4.22Å; Y460-V466 HydrophobicContact CE1-CG1 4.36Å; Y460-W470 PolarHBondContact O-NE1 2.91Å; Y460-Y611 AromaticContact CD1-CE1 3.95Å; Y460-Y611 HydrophobicContact CD1-CE1 3.95Å; Y460-Y611 HydrophobicContact CG-CE1 4.42Å; Y460-V612 HydrophobicContact CD2-CB 4.46Å; Y460-V612 HydrophobicContact CD2-CG1 3.89Å; Y460-V612 HydrophobicContact CD2-CG2 4.13Å; Y460-V612 HydrophobicContact CE2-CG1 4.5Å; Y460-V612 HydrophobicContact CG-CG2 4.19Å; Y460-K615 HydrophobicContact CE1-CB 4.1Å; Y460-K615 HydrophobicContact CE1-CG 4.42Å; Y460-K615 HydrophobicContact CE2-CB 4.24Å; Y460-T616 HydrophobicContact CE2-CG2 3.95Å
461	F	98.4	Very high	96.4	Very high	8 Å²	8	33 Å²	33	4%	0.035	17%	0.169	C	C	.	.	H	α-helix	trans	-84.1	-29.7	173.8	-173.4	-105.7	0	0	0	113.1	V457 C458 H459 R467 W470 V527 M552 Y578 F604 F608	V457-F461 WeakPolarHBondContact O-CB 2.97Å; V457-F461 PolarHBondContact O-N 3.19Å; V457-F461 VanDerWaalsContact O-N 3.13Å; C458-F461 PolarHBondContact O-N 2.97Å; H459-F461 PolarHBondContact O-N 2.67Å; F461-R467 VanDerWaalsContact O-CZ 3.27Å; F461-R467 PolarHBondContact O-NH1 2.97Å; F461-R467 PolarHBondContact O-NH2 3.45Å; F461-W470 AromaticContact CD2-CH2 3.69Å; F461-W470 HydrophobicContact CD2-CH2 3.69Å; F461-W470 AromaticContact CD2-CZ2 3.97Å; F461-W470 HydrophobicContact CD2-CZ2 3.97Å; F461-W470 AromaticContact CE2-CH2 3.76Å; F461-W470 HydrophobicContact CE2-CH2 3.76Å; F461-W470 HydrophobicContact CE2-CZ2 4.47Å; F461-V527 HydrophobicContact CD1-CB 3.83Å; F461-V527 HydrophobicContact CD1-CG1 3.86Å; F461-V527 HydrophobicContact CD1-CG2 4.16Å; F461-V527 HydrophobicContact CE1-CB 4.33Å; F461-V527 HydrophobicContact CE1-CG1 4.18Å; F461-M552 HydrophobicContact CB-CG 4.42Å; F461-M552 HydrophobicContact CD1-CB 3.52Å; F461-M552 HydrophobicContact CD1-CG 4.08Å; F461-M552 HydrophobicContact CD2-CE 3.73Å; F461-M552 HydrophobicContact CE1-CB 3.68Å; F461-M552 HydrophobicContact CE2-CE 3.89Å; F461-M552 HydrophobicContact CG-CB 4.08Å; F461-M552 HydrophobicContact CG-CE 4.09Å; F461-M552 HydrophobicContact CG-CG 4.13Å; F461-M552 HydrophobicContact CZ-CB 4.37Å; F461-M552 HydrophobicContact CZ-CE 4.37Å; F461-Y578 HydrophobicContact CZ-CE2 4.23Å; F461-F604 HydrophobicContact CD2-CE2 4.42Å; F461-F604 HydrophobicContact CD2-CZ 4.19Å; F461-F604 HydrophobicContact CE2-CE2 4.03Å; F461-F604 AromaticContact CE2-CZ 3.64Å; F461-F604 HydrophobicContact CE2-CZ 3.64Å; F461-F608 HydrophobicContact CB-CE1 3.96Å; F461-F608 HydrophobicContact CB-CE2 4.31Å; F461-F608 HydrophobicContact CB-CZ 3.53Å; F461-F608 HydrophobicContact CD2-CD1 4.47Å; F461-F608 HydrophobicContact CD2-CE1 4.07Å; F461-F608 HydrophobicContact CD2-CZ 4.13Å; F461-F608 HydrophobicContact CG-CE1 4.42Å; F461-F608 HydrophobicContact CG-CZ 4.32Å
462	W	98.4	Very high	96.1	Very high	41 Å²	41	33.2 Å²	33.2	16%	0.155	17%	0.168	C	C	.	.	H	α-helix	trans	-86.2	-41.9	178.1	-179.5	78.1	0	0	0	112.4	C458 H459 T464 R467 D485 N486 I488 S509 I511 V527	C458-W462 WeakPolarHBondContact O-CB 3.36Å; C458-W462 PolarHBondContact O-N 3.13Å; H459-W462 PolarHBondContact O-N 3.29Å; W462-T464 PolarHBondContact O-N 3.28Å; W462-R467 PolarHBondContact O-NH2 3.31Å; W462-D485 VanDerWaalsContact CH2-O 3.27Å; W462-D485 WeakPolarHBondContact CH2-O 3.32Å; W462-N486 VanDerWaalsContact CZ2-C 3.45Å; W462-I488 HydrophobicContact CZ2-CG1 4.49Å; W462-I488 HydrophobicContact CZ2-CG2 4.09Å; W462-S509 PolarHBondContact NE1-O 3.46Å; W462-S509 VanDerWaalsContact NE1-O 3.09Å; W462-I511 HydrophobicContact CB-CB 4.22Å; W462-I511 HydrophobicContact CB-CD1 4.31Å; W462-I511 HydrophobicContact CD2-CB 4.23Å; W462-I511 HydrophobicContact CD2-CG2 3.76Å; W462-I511 HydrophobicContact CE3-CG2 4.17Å; W462-I511 HydrophobicContact CG-CB 3.88Å; W462-I511 HydrophobicContact CG-CG2 3.96Å; W462-I511 HydrophobicContact CZ2-CG2 4.43Å; W462-V527 HydrophobicContact CB-CG1 4.1Å; W462-V527 HydrophobicContact CB-CG2 3.95Å; W462-V527 HydrophobicContact CG-CG1 4.46Å
463	D	97.3	Very high	95.7	Very high	32 Å²	32	34.8 Å²	34.8	17%	0.171	18%	0.178	C	C	.	.			trans	-51.7	135.5	-178.5	179.8	10.3	0	0	0	112.4	H459 D465 V466 R467	H459-D463 VanDerWaalsContact O-CB 3.3Å; H459-D463 WeakPolarHBondContact O-CB 3.3Å; H459-D463 PolarHBondContact O-N 2.89Å; D463-D465 PolarHBondContact OD1-N 3.25Å; D463-V466 HydrophobicContact CB-CG2 3.65Å; D463-V466 WeakPolarHBondContact OD2-CG1 3.39Å; D463-V466 WeakPolarHBondContact OD2-CG2 3.46Å; D463-R467 PolarHBondContact O-NH2 3.18Å
464	T	96	Very high	95.4	Very high	33 Å²	33	36 Å²	36	20%	0.202	18%	0.184	C	C	.	.	S	Bend	trans	-88.1	-32.5	-177.4	50.7	0	0	0	0	112.5	W462 V466 R467 F477 V479 I488	W462-T464 PolarHBondContact O-N 3.28Å; T464-V466 VanDerWaalsContact C-N 3.28Å; T464-V466 PolarHBondContact O-N 3.49Å; T464-R467 VanDerWaalsContact O-CB 3.3Å; T464-R467 WeakPolarHBondContact O-CB 3.27Å; T464-R467 PolarHBondContact O-N 3.44Å; T464-F477 HydrophobicContact CG2-CE1 3.9Å; T464-F477 HydrophobicContact CG2-CZ 4.06Å; T464-V479 HydrophobicContact CG2-CG2 3.74Å; T464-I488 HydrophobicContact CG2-CD1 3.39Å
465	D	95.7	Very high	95	Very high	144 Å²	144	40.5 Å²	40.5	77%	0.77	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-26.2	-168.9	-67.8	8.1	0	0	0	110.8	D463	D463-D465 PolarHBondContact OD1-N 3.25Å
466	V	95.6	Very high	94.7	Very high	20 Å²	20	42.4 Å²	42.4	12%	0.121	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-6.8	175.5	-64.3	0	0	0	0	114.9	Y460 D463 T464 N468 D469 Y611	Y460-V466 HydrophobicContact CD1-CG1 4.28Å; Y460-V466 HydrophobicContact CD1-CG2 4.22Å; Y460-V466 HydrophobicContact CE1-CG1 4.36Å; D463-V466 HydrophobicContact CB-CG2 3.65Å; D463-V466 WeakPolarHBondContact OD2-CG1 3.39Å; D463-V466 WeakPolarHBondContact OD2-CG2 3.46Å; T464-V466 VanDerWaalsContact C-N 3.28Å; T464-V466 PolarHBondContact O-N 3.49Å; V466-N468 VanDerWaalsContact C-N 3.28Å; V466-N468 PolarHBondContact O-N 2.98Å; V466-N468 VanDerWaalsContact O-N 3.17Å; V466-D469 WeakPolarHBondContact O-CB 3.39Å; V466-D469 PolarHBondContact O-N 3.4Å; V466-D469 VanDerWaalsContact O-N 3.08Å; V466-Y611 WeakPolarHBondContact CB-OH 3.34Å
467	R	93.9	Very high	94.5	Very high	7 Å²	7	43.8 Å²	43.8	3%	0.026	23%	0.225	C	C	.	.	H	α-helix	trans	-50	-48.3	-171.1	-171.4	64.3	50.2	179.5	-9	112.7	F461 W462 D463 T464 D469 W470 E471 F477	F461-R467 VanDerWaalsContact O-CZ 3.27Å; F461-R467 PolarHBondContact O-NH1 2.97Å; F461-R467 PolarHBondContact O-NH2 3.45Å; W462-R467 PolarHBondContact O-NH2 3.31Å; D463-R467 PolarHBondContact O-NH2 3.18Å; T464-R467 VanDerWaalsContact O-CB 3.3Å; T464-R467 WeakPolarHBondContact O-CB 3.27Å; T464-R467 PolarHBondContact O-N 3.44Å; R467-D469 VanDerWaalsContact C-N 3.26Å; R467-D469 PolarHBondContact O-N 3.09Å; R467-W470 PolarHBondContact O-N 2.98Å; R467-E471 HydrophobicContact CG-CB 4.2Å; R467-E471 VanDerWaalsContact O-CB 3.23Å; R467-E471 WeakPolarHBondContact O-CB 3.3Å; R467-E471 PolarHBondContact O-N 2.76Å; R467-F477 HydrophobicContact CG-CD2 4Å; R467-F477 HydrophobicContact CG-CE2 3.87Å; R467-F477 HydrophobicContact CG-CG 4.38Å; R467-F477 HydrophobicContact CG-CZ 4.16Å
468	N	91.6	Very high	94.3	Very high	115 Å²	115	47.3 Å²	47.3	62%	0.615	24%	0.244	S	C	*	.	H	α-helix	trans	-76.3	-5.3	-172.5	-61.3	-39.1	0	0	0	114.4	V466	V466-N468 VanDerWaalsContact C-N 3.28Å; V466-N468 PolarHBondContact O-N 2.98Å; V466-N468 VanDerWaalsContact O-N 3.17Å
469	D	93.6	Very high	94.3	Very high	72 Å²	72	50.4 Å²	50.4	39%	0.385	26%	0.263	S	S	.	.	H	α-helix	trans	-74.6	-40.6	170.7	-79.2	-7.4	0	0	0	111	V466 R467 R607 Y611 K615	V466-D469 WeakPolarHBondContact O-CB 3.39Å; V466-D469 PolarHBondContact O-N 3.4Å; V466-D469 VanDerWaalsContact O-N 3.08Å; R467-D469 VanDerWaalsContact C-N 3.26Å; R467-D469 PolarHBondContact O-N 3.09Å; D469-R607 PolarHBondContact O-NH2 2.98Å; D469-Y611 HydrophobicContact CB-CD2 4.11Å; D469-Y611 HydrophobicContact CB-CE2 3.3Å; D469-Y611 VanDerWaalsContact OD2-CE2 3.29Å; D469-Y611 WeakPolarHBondContact OD2-CE2 3.48Å; D469-Y611 PolarHBondContact OD2-OH 2.6Å; D469-K615 IonicContact OD2-NZ 2.67Å; D469-K615 PolarHBondContact OD2-NZ 3.02Å
470	W	93.1	Very high	94.3	Very high	3 Å²	3	48.6 Å²	48.6	1%	0.011	26%	0.257	C	S	.	.	H	α-helix	trans	-111.6	-33.1	-169.4	63	-104.6	0	0	0	114.3	Y460 F461 R467 F604 R607 F608 Y611	Y460-W470 PolarHBondContact O-NE1 2.91Å; F461-W470 AromaticContact CD2-CH2 3.69Å; F461-W470 HydrophobicContact CD2-CH2 3.69Å; F461-W470 AromaticContact CD2-CZ2 3.97Å; F461-W470 HydrophobicContact CD2-CZ2 3.97Å; F461-W470 AromaticContact CE2-CH2 3.76Å; F461-W470 HydrophobicContact CE2-CH2 3.76Å; F461-W470 HydrophobicContact CE2-CZ2 4.47Å; R467-W470 PolarHBondContact O-N 2.98Å; W470-F604 HydrophobicContact CE3-CD2 4.18Å; W470-F604 HydrophobicContact CE3-CE2 4.07Å; W470-F604 HydrophobicContact CH2-CE2 4.07Å; W470-F604 AromaticContact CZ3-CD2 3.8Å; W470-F604 HydrophobicContact CZ3-CD2 3.8Å; W470-F604 AromaticContact CZ3-CE2 3.45Å; W470-F604 HydrophobicContact CZ3-CE2 3.45Å; W470-F604 VanDerWaalsContact CZ3-CE2 3.45Å; W470-R607 WeakPolarHBondContact O-CD 3.43Å; W470-R607 PolarHBondContact O-NE 3.24Å; W470-F608 HydrophobicContact CB-CD2 4.36Å; W470-F608 AromaticContact CD1-CD2 3.99Å; W470-F608 AromaticContact CD2-CD2 3.51Å; W470-F608 HydrophobicContact CD2-CD2 3.51Å; W470-F608 HydrophobicContact CD2-CE2 4.12Å; W470-F608 HydrophobicContact CD2-CG 4.42Å; W470-F608 AromaticContact CE2-CD2 3.6Å; W470-F608 AromaticContact CE2-CE2 3.71Å; W470-F608 HydrophobicContact CE3-CB 4.38Å; W470-F608 AromaticContact CE3-CD2 3.93Å; W470-F608 HydrophobicContact CE3-CD2 3.93Å; W470-F608 HydrophobicContact CE3-CG 4.42Å; W470-F608 AromaticContact CG-CD2 3.75Å; W470-F608 HydrophobicContact CG-CD2 3.75Å; W470-F608 HydrophobicContact CG-CE2 4.36Å; W470-F608 HydrophobicContact CH2-CD2 4.44Å; W470-F608 HydrophobicContact CZ2-CD2 4.06Å; W470-F608 HydrophobicContact CZ2-CE2 4.01Å; W470-F608 HydrophobicContact CZ3-CD2 4.41Å; W470-F608 AromaticContact NE1-CD2 3.88Å; W470-F608 AromaticContact NE1-CE2 3.75Å; W470-Y611 HydrophobicContact CB-CD1 4.12Å; W470-Y611 HydrophobicContact CB-CD2 4.35Å; W470-Y611 HydrophobicContact CB-CG 3.96Å; W470-Y611 AromaticContact CD1-CD1 3.72Å; W470-Y611 AromaticContact CD1-CE1 3.59Å; W470-Y611 HydrophobicContact CG-CD1 4.21Å; W470-Y611 HydrophobicContact CG-CE1 4.45Å
471	E	91.5	Very high	94.2	Very high	39 Å²	39	49.3 Å²	49.3	18%	0.182	26%	0.262	C	S	.	.			trans	-74.6	135.9	-179.7	-178.4	54.4	-105.7	0	0	111.4	R467 T473 I474	R467-E471 HydrophobicContact CG-CB 4.2Å; R467-E471 VanDerWaalsContact O-CB 3.23Å; R467-E471 WeakPolarHBondContact O-CB 3.3Å; R467-E471 PolarHBondContact O-N 2.76Å; E471-T473 WeakPolarHBondContact OE1-CB 3.32Å; E471-T473 PolarHBondContact OE1-N 2.87Å; E471-T473 PolarHBondContact OE1-OG1 2.8Å; E471-I474 HydrophobicContact CG-CB 4.16Å; E471-I474 HydrophobicContact CG-CD1 3.57Å; E471-I474 HydrophobicContact CG-CG1 3.66Å
472	T	89	Confident	94.2	Very high	20 Å²	20	53.3 Å²	53.3	12%	0.123	29%	0.287	C	S	.	.			trans	-122	-12.5	-175.6	55.3	0	0	0	0	113.4	K495	T472-K495 WeakPolarHBondContact O-CD 3.28Å; T472-K495 WeakPolarHBondContact O-CE 3.31Å; T472-K495 PolarHBondContact O-NZ 3.36Å
473	T	90.1	Very high	94.1	Very high	34 Å²	34	52.7 Å²	52.7	21%	0.209	29%	0.286	C	S	.	.	S	Bend	trans	-96	-0.5	-171.3	70.4	0	0	0	0	114.2	E471 H494 K495	E471-T473 WeakPolarHBondContact OE1-CB 3.32Å; E471-T473 PolarHBondContact OE1-N 2.87Å; E471-T473 PolarHBondContact OE1-OG1 2.8Å; T473-H494 CarbonylContact O-C 3.53Å; T473-H494 VanDerWaalsContact O-CA 3.25Å; T473-H494 WeakPolarHBondContact O-CA 3.45Å; T473-H494 WeakPolarHBondContact O-CB 3.18Å; T473-H494 PolarHBondContact O-ND1 2.97Å; T473-H494 VanDerWaalsContact O-ND1 3.1Å; T473-H494 PolarHBondContact OG1-CE1 2.99Å; T473-H494 PolarHBondContact OG1-ND1 2.69Å; T473-H494 VanDerWaalsContact OG1-ND1 3.11Å; T473-K495 PolarHBondContact O-N 3.39Å
474	I	92.3	Very high	94	Very high	26 Å²	26	52 Å²	52	13%	0.133	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	138	-172.4	-62.4	-176.6	0	0	0	111.5	E471 N476 F477 Q492	E471-I474 HydrophobicContact CG-CB 4.16Å; E471-I474 HydrophobicContact CG-CD1 3.57Å; E471-I474 HydrophobicContact CG-CG1 3.66Å; I474-N476 VanDerWaalsContact CG2-O 3.22Å; I474-N476 WeakPolarHBondContact CG2-O 3.38Å; I474-F477 HydrophobicContact CD1-CD2 3.99Å; I474-F477 HydrophobicContact CG2-CB 4.16Å; I474-Q492 HydrophobicContact CD1-CB 4.24Å; I474-Q492 VanDerWaalsContact CD1-CD 3.42Å; I474-Q492 HydrophobicContact CD1-CG 4.27Å; I474-Q492 VanDerWaalsContact CD1-OE1 3.29Å; I474-Q492 HydrophobicContact CG2-CB 4.31Å
475	D	89.4	Confident	93.9	Very high	94 Å²	94	58 Å²	58	50%	0.503	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-31	171.5	-73.6	-27.1	0	0	0	112.8	T493 K495 Q502	D475-T493 PolarHBondContact N-O 3.44Å; D475-K495 VanDerWaalsContact OD1-CG 3.26Å; D475-K495 WeakPolarHBondContact OD1-CG 3.44Å; D475-K495 WeakPolarHBondContact OD2-CA 3.46Å; D475-Q502 PolarHBondContact OD2-NE2 2.84Å
476	N	91.1	Very high	93.9	Very high	76 Å²	76	52.7 Å²	52.7	41%	0.406	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	137.4	-177.7	-178.8	28.5	0	0	0	110.3	I474 N478 Q492 T493	I474-N476 VanDerWaalsContact CG2-O 3.22Å; I474-N476 WeakPolarHBondContact CG2-O 3.38Å; N476-N478 VanDerWaalsContact CG-ND2 3.32Å; N476-N478 PolarHBondContact ND2-ND2 2.75Å; N476-N478 PolarHBondContact OD1-ND2 3.12Å; N476-Q492 CarbonylContact O-C 2.83Å; N476-Q492 WeakPolarHBondContact O-CA 3.49Å; N476-Q492 WeakPolarHBondContact O-CB 3.44Å; N476-T493 WeakPolarHBondContact CB-OG1 3.39Å; N476-T493 PolarHBondContact N-O 3.21Å; N476-T493 PolarHBondContact O-N 2.91Å
477	F	94.7	Very high	94	Very high	36 Å²	36	51.8 Å²	51.8	16%	0.158	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	125.2	-175	-175.1	-87.9	0	0	0	110.1	T464 R467 I474 V490 Q492	T464-F477 HydrophobicContact CG2-CE1 3.9Å; T464-F477 HydrophobicContact CG2-CZ 4.06Å; R467-F477 HydrophobicContact CG-CD2 4Å; R467-F477 HydrophobicContact CG-CE2 3.87Å; R467-F477 HydrophobicContact CG-CG 4.38Å; R467-F477 HydrophobicContact CG-CZ 4.16Å; I474-F477 HydrophobicContact CD1-CD2 3.99Å; I474-F477 HydrophobicContact CG2-CB 4.16Å; F477-V490 HydrophobicContact CD2-CG1 3.95Å; F477-V490 HydrophobicContact CE1-CG1 4.26Å; F477-V490 HydrophobicContact CE2-CG1 3.43Å; F477-V490 VanDerWaalsContact CE2-CG1 3.43Å; F477-V490 HydrophobicContact CZ-CG1 3.6Å; F477-V490 HydrophobicContact CZ-CG2 4.12Å; F477-Q492 HydrophobicContact CD2-CB 4.14Å
478	N	94.6	Very high	94.2	Very high	76 Å²	76	52 Å²	52	41%	0.406	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	132.1	-178.6	-62.2	-98.1	0	0	0	111	N476 V480 V490 Y491	N476-N478 VanDerWaalsContact CG-ND2 3.32Å; N476-N478 PolarHBondContact ND2-ND2 2.75Å; N476-N478 PolarHBondContact OD1-ND2 3.12Å; N478-V480 PolarHBondContact O-N 3.04Å; N478-V490 WeakPolarHBondContact O-CA 3.42Å; N478-Y491 PolarHBondContact N-O 2.88Å; N478-Y491 PolarHBondContact O-N 3.21Å
479	V	97.5	Very high	94.5	Very high	64 Å²	64	46.5 Å²	46.5	39%	0.388	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	121.2	164.4	-177.1	0	0	0	0	108.2	T464 I488	T464-V479 HydrophobicContact CG2-CG2 3.74Å; V479-I488 HydrophobicContact CG1-CB 4.43Å
480	V	97.6	Very high	94.7	Very high	36 Å²	36	43.1 Å²	43.1	22%	0.218	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-36.4	179.5	-177.8	0	0	0	0	110.9	N478 I489 Y491 L506 H534 N536	N478-V480 PolarHBondContact O-N 3.04Å; V480-I489 HydrophobicContact CB-CB 4.4Å; V480-I489 HydrophobicContact CB-CG2 4.16Å; V480-I489 PolarHBondContact N-O 2.95Å; V480-Y491 VanDerWaalsContact CG2-CB 3.48Å; V480-L506 HydrophobicContact CG2-CD1 4.17Å; V480-H534 WeakPolarHBondContact CG1-ND1 3.45Å; V480-N536 HydrophobicContact CG1-CB 4.14Å
481	E	97.9	Very high	94.9	Very high	60 Å²	60	44.8 Å²	44.8	28%	0.28	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	144.2	179.9	-171.1	-178	-174	0	0	110.7	R391 L483 I488 I489 H534	R391-E481 IonicContact CZ-OE1 3.85Å; R391-E481 IonicContact CZ-OE2 2.71Å; R391-E481 IonicContact NH1-OE1 3.94Å; R391-E481 PolarHBondContact NH1-OE1 2.96Å; R391-E481 IonicContact NH1-OE2 3.06Å; R391-E481 PolarHBondContact NH1-OE2 3.15Å; R391-E481 IonicContact NH2-OE1 3.35Å; R391-E481 IonicContact NH2-OE2 2.84Å; R391-E481 PolarHBondContact NH2-OE2 3.49Å; E481-L483 HydrophobicContact CG-CD2 4.22Å; E481-I488 CarbonylContact O-C 2.69Å; E481-I488 WeakPolarHBondContact O-CA 3.45Å; E481-I489 HydrophobicContact CB-CB 4.33Å; E481-I489 HydrophobicContact CB-CD1 4.36Å; E481-I489 HydrophobicContact CB-CG1 4.46Å; E481-I489 PolarHBondContact N-O 3.41Å; E481-I489 PolarHBondContact O-N 2.72Å; E481-I489 WeakPolarHBondContact OE2-CD1 3.27Å; E481-H534 IonicContact OE2-CD2 3.41Å; E481-H534 IonicContact OE2-NE2 3.29Å; E481-H534 PolarHBondContact OE2-NE2 3.41Å
482	T	97.3	Very high	95.2	Very high	92 Å²	92	43.6 Å²	43.6	56%	0.564	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99.3	121.5	164.7	-55.9	0	0	0	0	108.4	S484 I488	T482-S484 WeakPolarHBondContact CG2-O 3.42Å; T482-I488 HydrophobicContact CG2-CG2 4.21Å
483	L	96.3	Very high	95.4	Very high	27 Å²	27	43.3 Å²	43.3	14%	0.141	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-39.7	-175.8	-62	167	0	0	0	111.9	H390 F392 E481 A487 I489 L508	H390-L483 HydrophobicContact CB-CB 4.03Å; F392-L483 HydrophobicContact CD2-CD1 4.03Å; F392-L483 HydrophobicContact CD2-CD2 4.43Å; E481-L483 HydrophobicContact CG-CD2 4.22Å; L483-A487 WeakPolarHBondContact CA-O 3.14Å; L483-A487 HydrophobicContact CB-CB 4.08Å; L483-A487 WeakPolarHBondContact CB-O 3.31Å; L483-A487 HydrophobicContact CD1-CB 4.43Å; L483-A487 PolarHBondContact N-O 2.67Å; L483-I489 HydrophobicContact CD1-CD1 4.11Å; L483-I489 HydrophobicContact CD1-CG1 3.72Å; L483-I489 HydrophobicContact CD2-CD1 4.17Å; L483-I489 HydrophobicContact CD2-CG1 4.47Å; L483-I489 HydrophobicContact CG-CD1 4.38Å; L483-I489 HydrophobicContact CG-CG1 4.13Å; L483-L508 HydrophobicContact CD1-CD1 3.61Å; L483-L508 HydrophobicContact CD1-CG 3.92Å
484	S	95.8	Very high	95.5	Very high	17 Å²	17	43.6 Å²	43.6	12%	0.119	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	180	169.3	74.6	0	0	0	0	109.4	D388 T482 N486 A487	D388-S484 WeakPolarHBondContact OD1-CB 3.4Å; D388-S484 PolarHBondContact OD1-OG 3.28Å; T482-S484 WeakPolarHBondContact CG2-O 3.42Å; S484-N486 PolarHBondContact O-N 3.13Å; S484-N486 PolarHBondContact OG-N 2.94Å; S484-N486 PolarHBondContact OG-OD1 2.9Å; S484-A487 PolarHBondContact N-O 3.28Å; S484-A487 VanDerWaalsContact N-O 3.12Å; S484-A487 PolarHBondContact O-N 2.95Å; S484-A487 VanDerWaalsContact O-O 3.13Å; S484-A487 PolarHBondContact OG-N 2.89Å
485	D	93.3	Very high	95.3	Very high	159 Å²	159	45.3 Å²	45.3	85%	0.85	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-6.3	176.7	-69.9	-12	0	0	0	113.5	W462	W462-D485 VanDerWaalsContact CH2-O 3.27Å; W462-D485 WeakPolarHBondContact CH2-O 3.32Å
486	N	95.6	Very high	95.1	Very high	34 Å²	34	45.2 Å²	45.2	18%	0.182	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.8	8.4	175.9	66.7	36.2	0	0	0	114.9	D388 W462 S484 A510 I511 R512	D388-N486 VanDerWaalsContact OD1-CG 3.31Å; D388-N486 PolarHBondContact OD1-ND2 3.19Å; D388-N486 VanDerWaalsContact OD1-ND2 3.12Å; D388-N486 PolarHBondContact OD1-OD1 3.27Å; D388-N486 VanDerWaalsContact OD1-OD1 3.04Å; D388-N486 PolarHBondContact OD2-ND2 2.72Å; W462-N486 VanDerWaalsContact CZ2-C 3.45Å; S484-N486 PolarHBondContact O-N 3.13Å; S484-N486 PolarHBondContact OG-N 2.94Å; S484-N486 PolarHBondContact OG-OD1 2.9Å; N486-A510 VanDerWaalsContact O-CA 3.3Å; N486-A510 WeakPolarHBondContact O-CA 3.46Å; N486-I511 HydrophobicContact CB-CG2 3.71Å; N486-I511 PolarHBondContact O-N 2.82Å; N486-R512 PolarHBondContact OD1-NH1 2.92Å
487	A	97.6	Very high	94.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	127.9	179.5	0	0	0	0	0	112.2	L483 S484 S509 A510	L483-A487 WeakPolarHBondContact CA-O 3.14Å; L483-A487 HydrophobicContact CB-CB 4.08Å; L483-A487 WeakPolarHBondContact CB-O 3.31Å; L483-A487 HydrophobicContact CD1-CB 4.43Å; L483-A487 PolarHBondContact N-O 2.67Å; S484-A487 PolarHBondContact N-O 3.28Å; S484-A487 VanDerWaalsContact N-O 3.12Å; S484-A487 PolarHBondContact O-N 2.95Å; S484-A487 VanDerWaalsContact O-O 3.13Å; S484-A487 PolarHBondContact OG-N 2.89Å; A487-S509 WeakPolarHBondContact CA-O 3.34Å; A487-A510 HydrophobicContact CB-CB 4.22Å
488	I	98	Very high	93.2	Very high	11 Å²	11	45 Å²	45	6%	0.056	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	159.5	-179.7	59.9	173.6	0	0	0	111.3	W462 T464 V479 E481 T482 V490 L508 S509	W462-I488 HydrophobicContact CZ2-CG1 4.49Å; W462-I488 HydrophobicContact CZ2-CG2 4.09Å; T464-I488 HydrophobicContact CG2-CD1 3.39Å; V479-I488 HydrophobicContact CG1-CB 4.43Å; E481-I488 CarbonylContact O-C 2.69Å; E481-I488 WeakPolarHBondContact O-CA 3.45Å; T482-I488 HydrophobicContact CG2-CG2 4.21Å; I488-V490 HydrophobicContact CD1-CG2 3.71Å; I488-V490 HydrophobicContact CG1-CG2 4.06Å; I488-L508 CarbonylContact O-C 3.25Å; I488-L508 WeakPolarHBondContact O-CA 3.21Å; I488-S509 PolarHBondContact N-O 2.99Å; I488-S509 PolarHBondContact O-N 3.43Å
489	I	98.5	Very high	91.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	129.2	168.3	-55.1	-179.2	0	0	0	108.5	F392 V480 E481 L483 L506 Y507 V532	F392-I489 HydrophobicContact CD2-CD1 4.39Å; F392-I489 HydrophobicContact CE2-CD1 3.81Å; V480-I489 HydrophobicContact CB-CB 4.4Å; V480-I489 HydrophobicContact CB-CG2 4.16Å; V480-I489 PolarHBondContact N-O 2.95Å; E481-I489 HydrophobicContact CB-CB 4.33Å; E481-I489 HydrophobicContact CB-CD1 4.36Å; E481-I489 HydrophobicContact CB-CG1 4.46Å; E481-I489 PolarHBondContact N-O 3.41Å; E481-I489 PolarHBondContact O-N 2.72Å; E481-I489 WeakPolarHBondContact OE2-CD1 3.27Å; L483-I489 HydrophobicContact CD1-CD1 4.11Å; L483-I489 HydrophobicContact CD1-CG1 3.72Å; L483-I489 HydrophobicContact CD2-CD1 4.17Å; L483-I489 HydrophobicContact CD2-CG1 4.47Å; L483-I489 HydrophobicContact CG-CD1 4.38Å; L483-I489 HydrophobicContact CG-CG1 4.13Å; I489-L506 HydrophobicContact CG2-CD1 3.84Å; I489-Y507 CarbonylContact C-O 3.59Å; I489-Y507 WeakPolarHBondContact CA-O 3.34Å; I489-V532 HydrophobicContact CD1-CG2 4.45Å; I489-V532 HydrophobicContact CG2-CG2 4.18Å
490	V	98.2	Very high	90.7	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	138	-175.9	176.4	0	0	0	0	110.2	F477 N478 I488 L506 Y507	F477-V490 HydrophobicContact CD2-CG1 3.95Å; F477-V490 HydrophobicContact CE1-CG1 4.26Å; F477-V490 HydrophobicContact CE2-CG1 3.43Å; F477-V490 VanDerWaalsContact CE2-CG1 3.43Å; F477-V490 HydrophobicContact CZ-CG1 3.6Å; F477-V490 HydrophobicContact CZ-CG2 4.12Å; N478-V490 WeakPolarHBondContact O-CA 3.42Å; I488-V490 HydrophobicContact CD1-CG2 3.71Å; I488-V490 HydrophobicContact CG1-CG2 4.06Å; V490-L506 WeakPolarHBondContact O-CA 3.44Å; V490-Y507 HydrophobicContact CB-CD1 4.18Å; V490-Y507 HydrophobicContact CB-CE1 3.65Å; V490-Y507 HydrophobicContact CB-CE2 4.27Å; V490-Y507 HydrophobicContact CG1-CD1 4.43Å; V490-Y507 HydrophobicContact CG1-CE1 3.57Å; V490-Y507 PolarHBondContact N-O 3.36Å; V490-Y507 PolarHBondContact O-N 3.47Å
491	Y	97.9	Very high	90	Very high	39 Å²	39	40 Å²	40	15%	0.153	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	126.8	166.9	176.9	-94.9	0	0	0	109.6	N478 V480 T493 D504 I505 L506 A537	N478-Y491 PolarHBondContact N-O 2.88Å; N478-Y491 PolarHBondContact O-N 3.21Å; V480-Y491 VanDerWaalsContact CG2-CB 3.48Å; Y491-T493 HydrophobicContact CE1-CG2 3.94Å; Y491-D504 HydrophobicContact CE2-CB 3.87Å; Y491-D504 WeakPolarHBondContact CE2-OD2 3.29Å; Y491-D504 WeakPolarHBondContact OH-CB 3.5Å; Y491-D504 PolarHBondContact OH-OD2 3.25Å; Y491-I505 WeakPolarHBondContact CA-O 3.21Å; Y491-L506 HydrophobicContact CD2-CB 4.5Å; Y491-L506 HydrophobicContact CD2-CD1 4.48Å; Y491-A537 HydrophobicContact CD2-CB 4.11Å
492	Q	96.2	Very high	89.6	Confident	14 Å²	14	39.6 Å²	39.6	7%	0.065	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	151.1	176.4	69.6	-169.8	36.5	0	0	112.7	I474 N476 F477 H494 D504 I505 Y507	I474-Q492 HydrophobicContact CD1-CB 4.24Å; I474-Q492 VanDerWaalsContact CD1-CD 3.42Å; I474-Q492 HydrophobicContact CD1-CG 4.27Å; I474-Q492 VanDerWaalsContact CD1-OE1 3.29Å; I474-Q492 HydrophobicContact CG2-CB 4.31Å; N476-Q492 CarbonylContact O-C 2.83Å; N476-Q492 WeakPolarHBondContact O-CA 3.49Å; N476-Q492 WeakPolarHBondContact O-CB 3.44Å; F477-Q492 HydrophobicContact CD2-CB 4.14Å; Q492-H494 PolarHBondContact NE2-CE1 3.35Å; Q492-H494 PolarHBondContact NE2-NE2 2.8Å; Q492-D504 CarbonylContact O-C 3.39Å; Q492-D504 WeakPolarHBondContact O-CA 3.36Å; Q492-I505 HydrophobicContact CG-CB 4.21Å; Q492-I505 PolarHBondContact N-O 2.99Å; Q492-I505 PolarHBondContact O-N 3.04Å; Q492-Y507 HydrophobicContact CG-CE1 4.17Å; Q492-Y507 PolarHBondContact OE1-OH 2.93Å
493	T	94.8	Very high	89.4	Confident	14 Å²	14	36.6 Å²	36.6	9%	0.086	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.2	169.9	63.3	0	0	0	0	109.5	D475 N476 Y491 R503 D504	D475-T493 PolarHBondContact N-O 3.44Å; N476-T493 WeakPolarHBondContact CB-OG1 3.39Å; N476-T493 PolarHBondContact N-O 3.21Å; N476-T493 PolarHBondContact O-N 2.91Å; Y491-T493 HydrophobicContact CE1-CG2 3.94Å; T493-R503 WeakPolarHBondContact CA-O 3.48Å; T493-D504 HydrophobicContact CG2-CB 3.92Å
494	H	92.1	Very high	89.4	Confident	39 Å²	39	35.3 Å²	35.3	18%	0.181	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	155.3	177	-75.1	-87.5	0	0	0	112	T473 Q492 R496 Q502 R503 I505	T473-H494 CarbonylContact O-C 3.53Å; T473-H494 VanDerWaalsContact O-CA 3.25Å; T473-H494 WeakPolarHBondContact O-CA 3.45Å; T473-H494 WeakPolarHBondContact O-CB 3.18Å; T473-H494 PolarHBondContact O-ND1 2.97Å; T473-H494 VanDerWaalsContact O-ND1 3.1Å; T473-H494 PolarHBondContact OG1-CE1 2.99Å; T473-H494 PolarHBondContact OG1-ND1 2.69Å; T473-H494 VanDerWaalsContact OG1-ND1 3.11Å; Q492-H494 PolarHBondContact NE2-CE1 3.35Å; Q492-H494 PolarHBondContact NE2-NE2 2.8Å; H494-R496 PolarHBondContact O-N 2.78Å; H494-Q502 WeakPolarHBondContact O-CG 3.45Å; H494-Q502 PolarHBondContact O-NE2 3.32Å; H494-R503 PolarHBondContact N-O 3.26Å; H494-I505 VanDerWaalsContact NE2-CD1 3.3Å; H494-I505 WeakPolarHBondContact NE2-CD1 3.28Å
495	K	87.6	Confident	89.5	Confident	62 Å²	62	35 Å²	35	27%	0.27	17%	0.173	S	C	.	.	P	Polyproline II helix	trans	-46.6	137.3	165	-77.2	176.7	174.3	171.7	0	109.8	E336 T472 T473 D475 V497	E336-K495 IonicContact OE1-NZ 2.72Å; E336-K495 PolarHBondContact OE1-NZ 3.01Å; T472-K495 WeakPolarHBondContact O-CD 3.28Å; T472-K495 WeakPolarHBondContact O-CE 3.31Å; T472-K495 PolarHBondContact O-NZ 3.36Å; T473-K495 PolarHBondContact O-N 3.39Å; D475-K495 VanDerWaalsContact OD1-CG 3.26Å; D475-K495 WeakPolarHBondContact OD1-CG 3.44Å; D475-K495 WeakPolarHBondContact OD2-CA 3.46Å; K495-V497 PolarHBondContact O-N 3.37Å
496	R	84.3	Confident	89.7	Confident	92 Å²	92	27.5 Å²	27.5	35%	0.347	13%	0.133	S	C	.	.	P	Polyproline II helix	trans	-67.5	122.9	180	-174.6	-173.5	174.1	-159.8	-5.4	110.9	E310 H494 P499 A500 Q502	E310-R496 IonicContact OE1-CZ 2.74Å; E310-R496 IonicContact OE1-NH1 3.51Å; E310-R496 PolarHBondContact OE1-NH1 3.28Å; E310-R496 IonicContact OE1-NH2 3.46Å; E310-R496 PolarHBondContact OE1-NH2 2.9Å; E310-R496 IonicContact OE2-CZ 2.86Å; E310-R496 IonicContact OE2-NH1 3.52Å; E310-R496 IonicContact OE2-NH2 2.79Å; E310-R496 PolarHBondContact OE2-NH2 2.86Å; H494-R496 PolarHBondContact O-N 2.78Å; R496-P499 PolarHBondContact NH2-O 3.38Å; R496-A500 PolarHBondContact NE-O 2.82Å; R496-A500 PolarHBondContact NH2-O 3.13Å; R496-Q502 HydrophobicContact CB-CB 4.37Å; R496-Q502 HydrophobicContact CB-CG 4.46Å; R496-Q502 HydrophobicContact CG-CB 4.44Å
497	V	79.3	Confident	89.9	Confident	55 Å²	55	26.1 Å²	26.1	33%	0.333	13%	0.125	S	C	.	.			trans	-93.5	99.3	167.8	-178.9	0	0	0	0	109.2	K495 A500 V592 V596	K495-V497 PolarHBondContact O-N 3.37Å; V497-A500 PolarHBondContact O-N 3.35Å; V497-A500 VanDerWaalsContact O-N 3.15Å; V497-A500 VanDerWaalsContact O-O 3.12Å; V497-V592 HydrophobicContact CG1-CG1 3.34Å; V497-V596 HydrophobicContact CG1-CG2 3.97Å; V497-V596 HydrophobicContact CG2-CG1 4.5Å
498	W	67.7	Low	89.9	Confident	54 Å²	54	26.1 Å²	26.1	21%	0.205	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	147.3	174.6	-175.8	93.1	0	0	0	110.8	I316 F321 A500	I316-W498 HydrophobicContact CD1-CH2 3.76Å; I316-W498 HydrophobicContact CD1-CZ2 4.1Å; F321-W498 HydrophobicContact CD2-CH2 4.2Å; F321-W498 AromaticContact CD2-CZ3 3.77Å; F321-W498 HydrophobicContact CD2-CZ3 3.77Å; F321-W498 HydrophobicContact CE2-CH2 4.33Å; F321-W498 AromaticContact CE2-CZ3 3.76Å; F321-W498 HydrophobicContact CE2-CZ3 3.76Å; W498-A500 VanDerWaalsContact C-N 3.33Å
499	P	64.7	Low	90	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.013	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	cis	-82.1	-3.9	1.9	36.8	-39.4	0	0	0	113.6	F321 R496 W587 P589	F321-P499 HydrophobicContact CE2-CG 3.82Å; F321-P499 HydrophobicContact CZ-CG 4.19Å; R496-P499 PolarHBondContact NH2-O 3.38Å; P499-W587 HydrophobicContact CG-CH2 4.08Å; P499-W587 HydrophobicContact CG-CZ3 4.33Å; P499-P589 HydrophobicContact CG-CG 3.75Å
500	A	75.3	Confident	89.9	Confident	5 Å²	5	25.6 Å²	25.6	4%	0.041	12%	0.122	C	C	.	.	S	Bend	trans	-78.8	163.1	-172.1	0	0	0	0	0	111.9	R496 V497 W498 W587 A588	R496-A500 PolarHBondContact NE-O 2.82Å; R496-A500 PolarHBondContact NH2-O 3.13Å; V497-A500 PolarHBondContact O-N 3.35Å; V497-A500 VanDerWaalsContact O-N 3.15Å; V497-A500 VanDerWaalsContact O-O 3.12Å; W498-A500 VanDerWaalsContact C-N 3.33Å; A500-W587 HydrophobicContact CB-CE3 4.49Å; A500-W587 HydrophobicContact CB-CZ3 4.34Å; A500-A588 HydrophobicContact CB-CB 3.9Å
501	S	82.8	Confident	89.9	Confident	62 Å²	62	26.3 Å²	26.3	43%	0.434	13%	0.126	S	C	.	.	P	Polyproline II helix	trans	-66.1	156.5	180	-46.3	0	0	0	0	112.1	R503	S501-R503 VanDerWaalsContact O-CD 3.29Å; S501-R503 WeakPolarHBondContact O-CD 3.21Å; S501-R503 PolarHBondContact O-NH1 3.09Å
502	Q	88.1	Confident	89.9	Confident	52 Å²	52	25.6 Å²	25.6	24%	0.243	12%	0.123	C	C	.	.	P	Polyproline II helix	trans	-60.2	145.9	173.6	-166.6	173.2	21.1	0	0	111.1	D475 H494 R496 C543 V544	D475-Q502 PolarHBondContact OD2-NE2 2.84Å; H494-Q502 WeakPolarHBondContact O-CG 3.45Å; H494-Q502 PolarHBondContact O-NE2 3.32Å; R496-Q502 HydrophobicContact CB-CB 4.37Å; R496-Q502 HydrophobicContact CB-CG 4.46Å; R496-Q502 HydrophobicContact CG-CB 4.44Å; Q502-C543 CarbonylContact O-C 3.59Å; Q502-C543 VanDerWaalsContact O-CA 3.26Å; Q502-C543 WeakPolarHBondContact O-CA 3.27Å; Q502-V544 PolarHBondContact O-N 3.43Å
503	R	93.3	Very high	89.8	Confident	30 Å²	30	28.9 Å²	28.9	11%	0.113	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	136.5	178.8	-94.1	59.5	-177.7	-164.7	0.2	111.4	T493 H494 S501 V544 A546 P584 G586 W587	T493-R503 WeakPolarHBondContact CA-O 3.48Å; H494-R503 PolarHBondContact N-O 3.26Å; S501-R503 VanDerWaalsContact O-CD 3.29Å; S501-R503 WeakPolarHBondContact O-CD 3.21Å; S501-R503 PolarHBondContact O-NH1 3.09Å; R503-V544 WeakPolarHBondContact CA-O 3.32Å; R503-A546 HydrophobicContact CB-CB 4.38Å; R503-A546 HydrophobicContact CG-CB 3.82Å; R503-P584 PolarHBondContact NE-O 3.39Å; R503-P584 PolarHBondContact NH2-O 2.84Å; R503-G586 PolarHBondContact NH2-O 3.25Å; R503-G586 VanDerWaalsContact NH2-O 3.08Å; R503-W587 PolarHBondContact NH2-O 3.42Å
504	D	96.6	Very high	89.8	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	150.5	161.6	76.3	-10.4	0	0	0	110.5	Y491 Q492 T493 C543 V544 R545 A546	Y491-D504 HydrophobicContact CE2-CB 3.87Å; Y491-D504 WeakPolarHBondContact CE2-OD2 3.29Å; Y491-D504 WeakPolarHBondContact OH-CB 3.5Å; Y491-D504 PolarHBondContact OH-OD2 3.25Å; Q492-D504 CarbonylContact O-C 3.39Å; Q492-D504 WeakPolarHBondContact O-CA 3.36Å; T493-D504 HydrophobicContact CG2-CB 3.92Å; D504-C543 HydrophobicContact CB-CB 3.73Å; D504-V544 PolarHBondContact N-O 3.08Å; D504-V544 VanDerWaalsContact N-O 3.13Å; D504-R545 VanDerWaalsContact CG-NE 3.3Å; D504-R545 WeakPolarHBondContact O-CA 3.15Å; D504-R545 WeakPolarHBondContact OD1-CA 3.39Å; D504-R545 IonicContact OD1-CZ 3.39Å; D504-R545 PolarHBondContact OD1-N 3.13Å; D504-R545 IonicContact OD1-NE 2.77Å; D504-R545 PolarHBondContact OD1-NE 3.19Å; D504-R545 IonicContact OD1-NH2 3.81Å; D504-R545 IonicContact OD2-CZ 2.66Å; D504-R545 IonicContact OD2-NE 2.81Å; D504-R545 PolarHBondContact OD2-NE 3.31Å; D504-R545 IonicContact OD2-NH2 2.75Å; D504-R545 PolarHBondContact OD2-NH2 3.01Å; D504-A546 PolarHBondContact O-N 3.43Å
505	I	97.8	Very high	89.7	Confident	10 Å²	10	34.2 Å²	34.2	5%	0.051	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	130.7	180	-49.1	-174.8	0	0	0	107.9	Y491 Q492 H494 Y507 A546 I548	Y491-I505 WeakPolarHBondContact CA-O 3.21Å; Q492-I505 HydrophobicContact CG-CB 4.21Å; Q492-I505 PolarHBondContact N-O 2.99Å; Q492-I505 PolarHBondContact O-N 3.04Å; H494-I505 VanDerWaalsContact NE2-CD1 3.3Å; H494-I505 WeakPolarHBondContact NE2-CD1 3.28Å; I505-Y507 HydrophobicContact CG2-CD1 3.97Å; I505-A546 HydrophobicContact CD1-CB 4.49Å; I505-A546 HydrophobicContact CG1-CB 4.14Å; I505-I548 HydrophobicContact CD1-CG2 3.86Å; I505-I548 HydrophobicContact CG2-CD1 4.02Å; I505-I548 HydrophobicContact CG2-CG1 3.92Å; I505-I548 HydrophobicContact CG2-CG2 4.13Å
506	L	98.4	Very high	89.6	Confident	2 Å²	2	33.1 Å²	33.1	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	125.3	169.8	179.4	66.2	0	0	0	107.1	V480 I489 V490 Y491 S531 V532 H534 A537	V480-L506 HydrophobicContact CG2-CD1 4.17Å; I489-L506 HydrophobicContact CG2-CD1 3.84Å; V490-L506 WeakPolarHBondContact O-CA 3.44Å; Y491-L506 HydrophobicContact CD2-CB 4.5Å; Y491-L506 HydrophobicContact CD2-CD1 4.48Å; L506-S531 VanDerWaalsContact O-CA 3.28Å; L506-S531 WeakPolarHBondContact O-CA 3.05Å; L506-S531 WeakPolarHBondContact O-CB 3.28Å; L506-S531 PolarHBondContact O-OG 3.19Å; L506-V532 VanDerWaalsContact CD2-O 3.23Å; L506-V532 WeakPolarHBondContact CD2-O 3.38Å; L506-V532 VanDerWaalsContact CG-O 3.32Å; L506-V532 WeakPolarHBondContact CG-O 3.11Å; L506-H534 HydrophobicContact CD1-CB 4.34Å; L506-H534 HydrophobicContact CD2-CB 3.78Å; L506-A537 HydrophobicContact CD1-CB 3.7Å; L506-A537 HydrophobicContact CD2-CB 3.88Å; L506-A537 HydrophobicContact CG-CB 4.39Å
507	Y	98.6	Very high	89.3	Confident	4 Å²	4	35 Å²	35	2%	0.016	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	153.5	-174.9	70.7	-79.9	0	0	0	113.1	I489 V490 Q492 I505 N529 F530 I548	I489-Y507 CarbonylContact C-O 3.59Å; I489-Y507 WeakPolarHBondContact CA-O 3.34Å; V490-Y507 HydrophobicContact CB-CD1 4.18Å; V490-Y507 HydrophobicContact CB-CE1 3.65Å; V490-Y507 HydrophobicContact CB-CE2 4.27Å; V490-Y507 HydrophobicContact CG1-CD1 4.43Å; V490-Y507 HydrophobicContact CG1-CE1 3.57Å; V490-Y507 PolarHBondContact N-O 3.36Å; V490-Y507 PolarHBondContact O-N 3.47Å; Q492-Y507 HydrophobicContact CG-CE1 4.17Å; Q492-Y507 PolarHBondContact OE1-OH 2.93Å; I505-Y507 HydrophobicContact CG2-CD1 3.97Å; Y507-N529 HydrophobicContact CD2-CB 3.69Å; Y507-N529 HydrophobicContact CE2-CB 3.79Å; Y507-F530 CarbonylContact C-O 3.57Å; Y507-F530 VanDerWaalsContact CA-O 3.28Å; Y507-F530 WeakPolarHBondContact CA-O 3.4Å; Y507-F530 WeakPolarHBondContact CB-O 3.3Å; Y507-I548 HydrophobicContact CD1-CD1 4.22Å; Y507-I548 HydrophobicContact CD2-CD1 4.18Å; Y507-I548 HydrophobicContact CG-CD1 3.89Å
508	L	98.6	Very high	89.3	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	129.9	167.7	-169.3	161.6	0	0	0	107.9	F392 V396 L483 I488 A510 N529 F530 V532	F392-L508 HydrophobicContact CB-CD1 3.45Å; F392-L508 VanDerWaalsContact CB-CD1 3.45Å; F392-L508 HydrophobicContact CD2-CD1 3.68Å; F392-L508 HydrophobicContact CG-CD1 3.67Å; V396-L508 HydrophobicContact CG2-CD1 4.17Å; V396-L508 HydrophobicContact CG2-CD2 3.74Å; L483-L508 HydrophobicContact CD1-CD1 3.61Å; L483-L508 HydrophobicContact CD1-CG 3.92Å; I488-L508 CarbonylContact O-C 3.25Å; I488-L508 WeakPolarHBondContact O-CA 3.21Å; L508-A510 HydrophobicContact CD2-CB 3.75Å; L508-N529 WeakPolarHBondContact O-CA 3.2Å; L508-F530 HydrophobicContact CB-CE2 4.15Å; L508-F530 HydrophobicContact CB-CZ 4.18Å; L508-F530 HydrophobicContact CD1-CE2 4.4Å; L508-F530 HydrophobicContact CD1-CZ 4.08Å; L508-F530 HydrophobicContact CD2-CE1 4.07Å; L508-F530 HydrophobicContact CD2-CZ 4.02Å; L508-F530 HydrophobicContact CG-CZ 4.33Å; L508-F530 PolarHBondContact N-O 2.87Å; L508-F530 PolarHBondContact O-N 3.09Å; L508-V532 HydrophobicContact CB-CG1 3.85Å; L508-V532 HydrophobicContact CB-CG2 4.05Å; L508-V532 HydrophobicContact CD1-CG1 4.44Å
509	S	98.5	Very high	89.5	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	115.4	173.4	-167.3	0	0	0	0	109.7	W462 A487 I488 C528 N529	W462-S509 PolarHBondContact NE1-O 3.46Å; W462-S509 VanDerWaalsContact NE1-O 3.09Å; A487-S509 WeakPolarHBondContact CA-O 3.34Å; I488-S509 PolarHBondContact N-O 2.99Å; I488-S509 PolarHBondContact O-N 3.43Å; S509-C528 WeakPolarHBondContact CA-O 3.3Å; S509-N529 VanDerWaalsContact CB-OD1 3.28Å; S509-N529 WeakPolarHBondContact CB-OD1 3.41Å; S509-N529 PolarHBondContact OG-OD1 2.97Å
510	A	98.3	Very high	90.1	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	136.1	178.9	0	0	0	0	0	111.5	V396 N486 A487 L508 V527 C528	V396-A510 HydrophobicContact CG1-CB 3.74Å; V396-A510 HydrophobicContact CG2-CB 4.21Å; N486-A510 VanDerWaalsContact O-CA 3.3Å; N486-A510 WeakPolarHBondContact O-CA 3.46Å; A487-A510 HydrophobicContact CB-CB 4.22Å; L508-A510 HydrophobicContact CD2-CB 3.75Å; A510-V527 CarbonylContact O-C 3.52Å; A510-V527 VanDerWaalsContact O-CA 3.3Å; A510-V527 WeakPolarHBondContact O-CA 3.44Å; A510-C528 PolarHBondContact N-O 2.85Å; A510-C528 PolarHBondContact O-N 3.47Å
511	I	97.9	Very high	90.4	Very high	16 Å²	16	55 Å²	55	8%	0.082	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	139.9	172.2	-173.1	169.2	0	0	0	110.3	C458 W462 N486 W525 L526 V527	C458-I511 HydrophobicContact CB-CD1 3.89Å; C458-I511 HydrophobicContact CB-CG1 4.4Å; W462-I511 HydrophobicContact CB-CB 4.22Å; W462-I511 HydrophobicContact CB-CD1 4.31Å; W462-I511 HydrophobicContact CD2-CB 4.23Å; W462-I511 HydrophobicContact CD2-CG2 3.76Å; W462-I511 HydrophobicContact CE3-CG2 4.17Å; W462-I511 HydrophobicContact CG-CB 3.88Å; W462-I511 HydrophobicContact CG-CG2 3.96Å; W462-I511 HydrophobicContact CZ2-CG2 4.43Å; N486-I511 HydrophobicContact CB-CG2 3.71Å; N486-I511 PolarHBondContact O-N 2.82Å; I511-W525 HydrophobicContact CD1-CE3 4.21Å; I511-W525 HydrophobicContact CD1-CZ3 4.15Å; I511-W525 HydrophobicContact CG1-CE3 4.12Å; I511-W525 HydrophobicContact CG1-CZ3 4.13Å; I511-L526 CarbonylContact C-O 3.57Å; I511-L526 WeakPolarHBondContact CA-O 3.35Å; I511-V527 HydrophobicContact CB-CG2 4.16Å; I511-V527 HydrophobicContact CD1-CG2 4.19Å; I511-V527 HydrophobicContact CG1-CG2 3.97Å
512	R	96.3	Very high	90.6	Very high	25 Å²	25	53.6 Å²	53.6	9%	0.094	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	146.3	-179.4	-69.5	-67.8	-178.7	-95.5	14.3	110.8	E397 V400 N486 I514 L526	E397-R512 IonicContact OE1-CZ 3.68Å; E397-R512 IonicContact OE1-NE 2.71Å; E397-R512 PolarHBondContact OE1-NE 2.95Å; E397-R512 IonicContact OE1-NH2 3.01Å; E397-R512 PolarHBondContact OE1-NH2 2.9Å; V400-R512 HydrophobicContact CG2-CG 3.94Å; N486-R512 PolarHBondContact OD1-NH1 2.92Å; R512-I514 HydrophobicContact CB-CD1 4.2Å; R512-L526 PolarHBondContact N-O 3.33Å; R512-L526 PolarHBondContact O-N 3.41Å
513	K	95.4	Very high	90.8	Very high	83 Å²	83	53.9 Å²	53.9	36%	0.361	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	123.6	161.3	-170.1	-176.1	-178.1	-175	0	108.9	L515 D523 W525	K513-L515 HydrophobicContact CD-CD2 4.12Å; K513-L515 HydrophobicContact CG-CD2 4.49Å; K513-D523 WeakPolarHBondContact CE-OD2 3.49Å; K513-D523 IonicContact NZ-OD2 2.67Å; K513-D523 PolarHBondContact NZ-OD2 2.79Å; K513-W525 HydrophobicContact CB-CD2 3.95Å; K513-W525 HydrophobicContact CB-CE3 3.93Å; K513-W525 HydrophobicContact CB-CH2 3.88Å; K513-W525 HydrophobicContact CB-CZ2 3.87Å; K513-W525 HydrophobicContact CB-CZ3 3.91Å; K513-W525 HydrophobicContact CD-CH2 4.45Å; K513-W525 HydrophobicContact CD-CZ2 3.69Å; K513-W525 HydrophobicContact CG-CD2 4.01Å; K513-W525 HydrophobicContact CG-CG 4.44Å; K513-W525 HydrophobicContact CG-CH2 4.48Å; K513-W525 HydrophobicContact CG-CZ2 3.95Å
514	I	93.8	Very high	90.9	Very high	49 Å²	49	52.7 Å²	52.7	25%	0.251	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	117.7	174.1	-48	-56.3	0	0	0	107.7	V400 M404 R512 T524	V400-I514 HydrophobicContact CG1-CD1 3.65Å; V400-I514 HydrophobicContact CG1-CG1 4.31Å; M404-I514 HydrophobicContact CE-CB 4.39Å; M404-I514 HydrophobicContact CE-CG2 4.18Å; M404-I514 HydrophobicContact CG-CG1 4.37Å; M404-I514 HydrophobicContact SD-CG1 4.27Å; R512-I514 HydrophobicContact CB-CD1 4.2Å; I514-T524 PolarHBondContact N-O 2.95Å; I514-T524 PolarHBondContact O-N 2.74Å
515	L	90.8	Very high	91	Very high	116 Å²	116	54.2 Å²	54.2	61%	0.607	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-74.6	142.8	177.3	-59	-178.9	0	0	0	110.5	K513 D523	K513-L515 HydrophobicContact CD-CD2 4.12Å; K513-L515 HydrophobicContact CG-CD2 4.49Å; L515-D523 WeakPolarHBondContact CA-OD1 3.47Å
516	A	84.9	Confident	91	Very high	39 Å²	39	53.8 Å²	53.8	32%	0.322	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-63.6	138.7	174.9	0	0	0	0	0	112	D521 D523	A516-D521 HydrophobicContact CB-CB 4.13Å; A516-D521 WeakPolarHBondContact CB-O 3.27Å; A516-D523 PolarHBondContact N-OD1 2.86Å
517	T	78	Confident	91	Very high	132 Å²	132	53.7 Å²	53.7	81%	0.81	28%	0.283	S	S	*	.	S	Bend	trans	-84.9	-17.1	175.9	48.5	0	0	0	0	113.3
518	N	78.9	Confident	91	Very high	92 Å²	92	53.5 Å²	53.5	49%	0.492	28%	0.282	S	S	.	.	S	Bend	trans	-128.4	147.6	174.3	-46.6	-70.2	0	0	0	109.7	N520 D521	N518-N520 PolarHBondContact O-N 2.98Å; N518-D521 WeakPolarHBondContact CB-OD2 3.23Å; N518-D521 PolarHBondContact ND2-OD2 3.37Å; N518-D521 PolarHBondContact O-N 3.35Å; N518-D521 VanDerWaalsContact O-N 3.12Å
519	E	73.5	Confident	91	Very high	203 Å²	203	53.9 Å²	53.9	95%	0.949	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-11.7	177.7	-59.9	-179.9	159.7	0	0	114.5
520	N	76.6	Confident	91	Very high	156 Å²	156	53.9 Å²	53.9	83%	0.834	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-16.5	178.6	-62.1	-56.1	0	0	0	113.7	N518	N518-N520 PolarHBondContact O-N 2.98Å
521	D	82.4	Confident	91	Very high	83 Å²	83	55.2 Å²	55.2	44%	0.444	29%	0.294	S	S	.	.	S	Bend	trans	-97.8	142.8	-176.9	-63.7	-56	0	0	0	109.9	A516 N518	A516-D521 HydrophobicContact CB-CB 4.13Å; A516-D521 WeakPolarHBondContact CB-O 3.27Å; N518-D521 WeakPolarHBondContact CB-OD2 3.23Å; N518-D521 PolarHBondContact ND2-OD2 3.37Å; N518-D521 PolarHBondContact O-N 3.35Å; N518-D521 VanDerWaalsContact O-N 3.12Å
522	P	86.7	Confident	91	Very high	33 Å²	33	54.9 Å²	54.9	21%	0.214	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-79.8	142	178.8	31.5	-34.4	0	0	0	112.1	T524 Q555 L557	P522-T524 PolarHBondContact O-N 2.83Å; P522-T524 PolarHBondContact O-OG1 3.16Å; P522-Q555 HydrophobicContact CB-CB 4.36Å; P522-Q555 HydrophobicContact CG-CB 3.9Å; P522-Q555 HydrophobicContact CG-CG 3.97Å; P522-L557 HydrophobicContact CB-CD2 4.37Å; P522-L557 HydrophobicContact CG-CD2 4.33Å
523	D	91.1	Very high	90.9	Very high	58 Å²	58	59.2 Å²	59.2	31%	0.31	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-49.8	133.5	164	-85.1	-6	0	0	0	110.1	K513 L515 A516	K513-D523 WeakPolarHBondContact CE-OD2 3.49Å; K513-D523 IonicContact NZ-OD2 2.67Å; K513-D523 PolarHBondContact NZ-OD2 2.79Å; L515-D523 WeakPolarHBondContact CA-OD1 3.47Å; A516-D523 PolarHBondContact N-OD1 2.86Å
524	T	96.1	Very high	91	Very high	6 Å²	6	56.6 Å²	56.6	4%	0.037	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	118.6	-173.8	-58.1	0	0	0	0	110.1	M404 I514 P522 I553 C554 Q555	M404-T524 HydrophobicContact CE-CG2 3.91Å; M404-T524 HydrophobicContact SD-CG2 3.83Å; I514-T524 PolarHBondContact N-O 2.95Å; I514-T524 PolarHBondContact O-N 2.74Å; P522-T524 PolarHBondContact O-N 2.83Å; P522-T524 PolarHBondContact O-OG1 3.16Å; T524-I553 HydrophobicContact CG2-CG2 3.47Å; T524-I553 VanDerWaalsContact CG2-CG2 3.47Å; T524-C554 WeakPolarHBondContact CA-O 3.36Å; T524-Q555 HydrophobicContact CG2-CG 4.04Å; T524-Q555 WeakPolarHBondContact OG1-CG 3.35Å; T524-Q555 PolarHBondContact OG1-NE2 2.94Å
525	W	98.1	Very high	91	Very high	32 Å²	32	61.9 Å²	61.9	12%	0.121	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	141.1	168.3	-79.8	95.9	0	0	0	109.7	G454 H455 C458 I511 K513 C554 F623	G454-W525 WeakPolarHBondContact O-CB 3.42Å; H455-W525 HydrophobicContact CB-CD2 4.14Å; H455-W525 HydrophobicContact CB-CG 4.25Å; H455-W525 HydrophobicContact CB-CZ2 4.09Å; H455-W525 AromaticContact CD2-CE2 3.87Å; H455-W525 AromaticContact CD2-CH2 3.64Å; H455-W525 AromaticContact CD2-CZ2 3.58Å; H455-W525 AromaticContact CE1-CH2 3.57Å; H455-W525 AromaticContact CE1-CZ2 3.34Å; H455-W525 WeakPolarHBondContact CE1-CZ2 3.25Å; H455-W525 AromaticContact CG-CE2 3.44Å; H455-W525 VanDerWaalsContact CG-CE2 3.44Å; H455-W525 AromaticContact CG-CH2 3.94Å; H455-W525 AromaticContact CG-CZ2 3.36Å; H455-W525 AromaticContact CG-NE1 3.71Å; H455-W525 AromaticContact ND1-CE2 3.67Å; H455-W525 AromaticContact ND1-CH2 3.87Å; H455-W525 AromaticContact ND1-CZ2 3.19Å; H455-W525 WeakPolarHBondContact ND1-CZ2 3.3Å; H455-W525 AromaticContact ND1-NE1 3.96Å; H455-W525 AromaticContact NE2-CH2 3.41Å; H455-W525 WeakPolarHBondContact NE2-CH2 3.39Å; H455-W525 AromaticContact NE2-CZ2 3.59Å; C458-W525 HydrophobicContact CB-CB 4.08Å; C458-W525 VanDerWaalsContact SG-C 3.6Å; I511-W525 HydrophobicContact CD1-CE3 4.21Å; I511-W525 HydrophobicContact CD1-CZ3 4.15Å; I511-W525 HydrophobicContact CG1-CE3 4.12Å; I511-W525 HydrophobicContact CG1-CZ3 4.13Å; K513-W525 HydrophobicContact CB-CD2 3.95Å; K513-W525 HydrophobicContact CB-CE3 3.93Å; K513-W525 HydrophobicContact CB-CH2 3.88Å; K513-W525 HydrophobicContact CB-CZ2 3.87Å; K513-W525 HydrophobicContact CB-CZ3 3.91Å; K513-W525 HydrophobicContact CD-CH2 4.45Å; K513-W525 HydrophobicContact CD-CZ2 3.69Å; K513-W525 HydrophobicContact CG-CD2 4.01Å; K513-W525 HydrophobicContact CG-CG 4.44Å; K513-W525 HydrophobicContact CG-CH2 4.48Å; K513-W525 HydrophobicContact CG-CZ2 3.95Å; W525-C554 PolarHBondContact N-O 3.25Å; W525-C554 PolarHBondContact O-N 2.95Å; W525-F623 PolarHBondContact NE1-OXT 3.14Å; W525-F623 VanDerWaalsContact NE1-OXT 3.08Å
526	L	97.6	Very high	91.1	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	136.4	-175.7	-173.3	150.9	0	0	0	110.6	V400 H403 M404 I511 R512 C528 M552 I553	V400-L526 HydrophobicContact CG2-CD2 4.14Å; H403-L526 HydrophobicContact CB-CD1 4.02Å; M404-L526 HydrophobicContact CG-CD1 4.27Å; M404-L526 HydrophobicContact SD-CD1 3.94Å; I511-L526 CarbonylContact C-O 3.57Å; I511-L526 WeakPolarHBondContact CA-O 3.35Å; R512-L526 PolarHBondContact N-O 3.33Å; R512-L526 PolarHBondContact O-N 3.41Å; L526-C528 HydrophobicContact CD2-CB 3.9Å; L526-M552 WeakPolarHBondContact CA-O 3.3Å; L526-I553 HydrophobicContact CD1-CD1 4.1Å; L526-I553 HydrophobicContact CD1-CG1 3.83Å; L526-I553 HydrophobicContact CD1-CG2 4.14Å; L526-I553 HydrophobicContact CG-CG1 4.14Å
527	V	98.7	Very high	91.5	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	124.7	163.7	-175.9	0	0	0	0	108.4	C458 F461 W462 A510 I511 A551 M552	C458-V527 HydrophobicContact CB-CG2 3.71Å; C458-V527 WeakPolarHBondContact O-CG2 3.39Å; F461-V527 HydrophobicContact CD1-CB 3.83Å; F461-V527 HydrophobicContact CD1-CG1 3.86Å; F461-V527 HydrophobicContact CD1-CG2 4.16Å; F461-V527 HydrophobicContact CE1-CB 4.33Å; F461-V527 HydrophobicContact CE1-CG1 4.18Å; W462-V527 HydrophobicContact CB-CG1 4.1Å; W462-V527 HydrophobicContact CB-CG2 3.95Å; W462-V527 HydrophobicContact CG-CG1 4.46Å; A510-V527 CarbonylContact O-C 3.52Å; A510-V527 VanDerWaalsContact O-CA 3.3Å; A510-V527 WeakPolarHBondContact O-CA 3.44Å; I511-V527 HydrophobicContact CB-CG2 4.16Å; I511-V527 HydrophobicContact CD1-CG2 4.19Å; I511-V527 HydrophobicContact CG1-CG2 3.97Å; V527-A551 CarbonylContact O-C 3.6Å; V527-A551 VanDerWaalsContact O-CA 3.23Å; V527-A551 WeakPolarHBondContact O-CA 3.23Å; V527-M552 HydrophobicContact CB-CB 4.42Å; V527-M552 PolarHBondContact N-O 3.06Å; V527-M552 PolarHBondContact O-N 2.84Å
528	C	97.8	Very high	92.1	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	133.5	172	58	0	0	0	0	110.9	S509 A510 L526 F530	S509-C528 WeakPolarHBondContact CA-O 3.3Å; A510-C528 PolarHBondContact N-O 2.85Å; A510-C528 PolarHBondContact O-N 3.47Å; L526-C528 HydrophobicContact CD2-CB 3.9Å; C528-F530 HydrophobicContact CB-CD1 4.33Å
529	N	98.6	Very high	92.6	Very high	8 Å²	8	58.7 Å²	58.7	4%	0.043	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	99	-179.8	-71	-9.9	0	0	0	107.9	Y507 L508 S509 I548 V550	Y507-N529 HydrophobicContact CD2-CB 3.69Å; Y507-N529 HydrophobicContact CE2-CB 3.79Å; L508-N529 WeakPolarHBondContact O-CA 3.2Å; S509-N529 VanDerWaalsContact CB-OD1 3.28Å; S509-N529 WeakPolarHBondContact CB-OD1 3.41Å; S509-N529 PolarHBondContact OG-OD1 2.97Å; N529-I548 HydrophobicContact CB-CD1 4.13Å; N529-V550 HydrophobicContact CB-CB 4.13Å; N529-V550 PolarHBondContact N-O 2.96Å; N529-V550 PolarHBondContact O-N 2.81Å
530	F	98.6	Very high	93	Very high	1 Å²	1	51.7 Å²	51.7	0%	0.004	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	142.3	-174.9	63.7	-95.8	0	0	0	113.1	Q395 V396 M399 Y507 L508 C528 V532 I548	Q395-F530 HydrophobicContact CG-CE2 3.79Å; Q395-F530 HydrophobicContact CG-CZ 4.12Å; V396-F530 HydrophobicContact CG2-CE1 4.17Å; V396-F530 HydrophobicContact CG2-CZ 3.93Å; M399-F530 HydrophobicContact CB-CD1 4.02Å; M399-F530 HydrophobicContact CB-CE1 4.05Å; M399-F530 HydrophobicContact CE-CB 3.43Å; M399-F530 VanDerWaalsContact CE-CB 3.43Å; M399-F530 HydrophobicContact CE-CD1 4.28Å; M399-F530 HydrophobicContact CE-CD2 4.18Å; M399-F530 HydrophobicContact CE-CG 3.73Å; M399-F530 HydrophobicContact CG-CD1 4Å; M399-F530 HydrophobicContact CG-CD2 4.42Å; M399-F530 HydrophobicContact CG-CE1 4.08Å; M399-F530 HydrophobicContact CG-CG 4.17Å; M399-F530 HydrophobicContact CG-CZ 4.34Å; Y507-F530 CarbonylContact C-O 3.57Å; Y507-F530 VanDerWaalsContact CA-O 3.28Å; Y507-F530 WeakPolarHBondContact CA-O 3.4Å; Y507-F530 WeakPolarHBondContact CB-O 3.3Å; L508-F530 HydrophobicContact CB-CE2 4.15Å; L508-F530 HydrophobicContact CB-CZ 4.18Å; L508-F530 HydrophobicContact CD1-CE2 4.4Å; L508-F530 HydrophobicContact CD1-CZ 4.08Å; L508-F530 HydrophobicContact CD2-CE1 4.07Å; L508-F530 HydrophobicContact CD2-CZ 4.02Å; L508-F530 HydrophobicContact CG-CZ 4.33Å; L508-F530 PolarHBondContact N-O 2.87Å; L508-F530 PolarHBondContact O-N 3.09Å; C528-F530 HydrophobicContact CB-CD1 4.33Å; F530-V532 HydrophobicContact CD2-CG1 3.88Å; F530-V532 HydrophobicContact CE2-CG1 3.65Å; F530-V532 PolarHBondContact O-N 2.85Å; F530-I548 WeakPolarHBondContact CA-O 3.19Å
531	S	98.4	Very high	93.2	Very high	28 Å²	28	52.8 Å²	52.8	20%	0.196	30%	0.296	C	S	.	.			trans	-68.9	132.2	-174.5	-76	0	0	0	0	113.8	L506 K547 I548	L506-S531 VanDerWaalsContact O-CA 3.28Å; L506-S531 WeakPolarHBondContact O-CA 3.05Å; L506-S531 WeakPolarHBondContact O-CB 3.28Å; L506-S531 PolarHBondContact O-OG 3.19Å; S531-K547 WeakPolarHBondContact OG-CA 3.36Å; S531-I548 PolarHBondContact N-O 3.03Å; S531-I548 PolarHBondContact OG-N 3.11Å
532	V	97.8	Very high	93.1	Very high	9 Å²	9	59.4 Å²	59.4	6%	0.055	32%	0.315	C	S	.	.			trans	-130.1	159.4	175.5	-62.3	0	0	0	0	109.6	F392 I489 L506 L508 F530	F392-V532 HydrophobicContact CD1-CG1 4.47Å; F392-V532 HydrophobicContact CE1-CB 4.31Å; F392-V532 HydrophobicContact CE1-CG1 4.16Å; F392-V532 HydrophobicContact CZ-CB 4.13Å; F392-V532 HydrophobicContact CZ-CG1 4.36Å; F392-V532 HydrophobicContact CZ-CG2 4.49Å; I489-V532 HydrophobicContact CD1-CG2 4.45Å; I489-V532 HydrophobicContact CG2-CG2 4.18Å; L506-V532 VanDerWaalsContact CD2-O 3.23Å; L506-V532 WeakPolarHBondContact CD2-O 3.38Å; L506-V532 VanDerWaalsContact CG-O 3.32Å; L506-V532 WeakPolarHBondContact CG-O 3.11Å; L508-V532 HydrophobicContact CB-CG1 3.85Å; L508-V532 HydrophobicContact CB-CG2 4.05Å; L508-V532 HydrophobicContact CD1-CG1 4.44Å; F530-V532 HydrophobicContact CD2-CG1 3.88Å; F530-V532 HydrophobicContact CE2-CG1 3.65Å; F530-V532 PolarHBondContact O-N 2.85Å
533	D	96.1	Very high	93.2	Very high	116 Å²	116	58.7 Å²	58.7	62%	0.62	31%	0.31	S	S	*	.			trans	-93.9	147	173.6	-64.7	-57.5	0	0	0	110.8
534	H	96.3	Very high	93.3	Very high	28 Å²	28	57.7 Å²	57.7	13%	0.13	31%	0.307	C	S	.	.			trans	-152.7	131	-177.1	-165.3	-81.7	0	0	0	112.2	R391 V480 E481 L506 N536 A537	R391-H534 PolarHBondContact NH2-CD2 2.74Å; R391-H534 VanDerWaalsContact NH2-CD2 3.27Å; R391-H534 PolarHBondContact NH2-NE2 2.8Å; V480-H534 WeakPolarHBondContact CG1-ND1 3.45Å; E481-H534 IonicContact OE2-CD2 3.41Å; E481-H534 IonicContact OE2-NE2 3.29Å; E481-H534 PolarHBondContact OE2-NE2 3.41Å; L506-H534 HydrophobicContact CD1-CB 4.34Å; L506-H534 HydrophobicContact CD2-CB 3.78Å; H534-N536 VanDerWaalsContact C-N 3.3Å; H534-N536 PolarHBondContact ND1-N 3.18Å; H534-N536 VanDerWaalsContact ND1-N 3.19Å; H534-N536 PolarHBondContact O-N 2.91Å; H534-A537 CarbonylContact O-C 3.54Å; H534-A537 PolarHBondContact O-N 3.01Å
535	D	94.4	Very high	93.2	Very high	159 Å²	159	59 Å²	59	85%	0.85	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-33.8	-172.8	-63.8	-33.8	0	0	0	113.9	A537 P538	D535-A537 VanDerWaalsContact C-N 3.25Å; D535-A537 PolarHBondContact O-N 3.05Å; D535-P538 WeakPolarHBondContact O-CD 3.42Å
536	N	92.4	Very high	93.1	Very high	133 Å²	133	57.7 Å²	57.7	71%	0.711	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-6.9	176.1	-62.9	-15.4	0	0	0	114.2	V480 H534	V480-N536 HydrophobicContact CG1-CB 4.14Å; H534-N536 VanDerWaalsContact C-N 3.3Å; H534-N536 PolarHBondContact ND1-N 3.18Å; H534-N536 VanDerWaalsContact ND1-N 3.19Å; H534-N536 PolarHBondContact O-N 2.91Å
537	A	93	Very high	93.1	Very high	9 Å²	9	63 Å²	63	7%	0.074	33%	0.33	C	S	.	.	S	Bend	trans	-135.4	51.9	-175.8	0	0	0	0	0	113.3	Y491 L506 H534 D535 R545	Y491-A537 HydrophobicContact CD2-CB 4.11Å; L506-A537 HydrophobicContact CD1-CB 3.7Å; L506-A537 HydrophobicContact CD2-CB 3.88Å; L506-A537 HydrophobicContact CG-CB 4.39Å; H534-A537 CarbonylContact O-C 3.54Å; H534-A537 PolarHBondContact O-N 3.01Å; D535-A537 VanDerWaalsContact C-N 3.25Å; D535-A537 PolarHBondContact O-N 3.05Å; A537-R545 PolarHBondContact O-NH1 3.01Å; A537-R545 PolarHBondContact O-NH2 3.28Å
538	P	90.8	Very high	93.1	Very high	76 Å²	76	64 Å²	64	49%	0.494	34%	0.335	S	S	.	.			trans	-63.9	159.1	-178.1	31	-36.6	0	0	0	111.6	D535 R545	D535-P538 WeakPolarHBondContact O-CD 3.42Å; P538-R545 PolarHBondContact O-NH2 2.68Å; P538-R545 VanDerWaalsContact O-NH2 3.16Å
539	P	88.9	Confident	93.1	Very high	94 Å²	94	65.7 Å²	65.7	61%	0.61	34%	0.344	S	S	*	.			trans	-57.5	143.7	171.1	-23.7	34.8	0	0	0	111.8
540	T	83.1	Confident	93.1	Very high	56 Å²	56	65.8 Å²	65.8	34%	0.344	35%	0.345	S	S	.	.			trans	-127.6	156.1	-179.1	80	0	0	0	0	111.4	R542	T540-R542 PolarHBondContact O-N 3.26Å; T540-R542 PolarHBondContact OG1-N 3.02Å
541	N	79.3	Confident	93.1	Very high	180 Å²	180	65.8 Å²	65.8	96%	0.963	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	7.1	176.5	-63.4	-1.4	0	0	0	113.9
542	R	81.4	Confident	93.1	Very high	221 Å²	221	64.4 Å²	64.4	83%	0.834	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-30.5	179.1	-64.8	-175.3	178.4	-173.9	-0.4	113.1	T540	T540-R542 PolarHBondContact O-N 3.26Å; T540-R542 PolarHBondContact OG1-N 3.02Å
543	C	89.2	Confident	93.1	Very high	18 Å²	18	64.1 Å²	64.1	12%	0.122	33%	0.333	C	S	.	.	S	Bend	trans	-138.5	148.2	-174.7	-54.5	0	0	0	0	110	Q502 D504	Q502-C543 CarbonylContact O-C 3.59Å; Q502-C543 VanDerWaalsContact O-CA 3.26Å; Q502-C543 WeakPolarHBondContact O-CA 3.27Å; D504-C543 HydrophobicContact CB-CB 3.73Å
544	V	92	Very high	93.2	Very high	38 Å²	38	58.6 Å²	58.6	23%	0.23	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	124.2	171.6	175.3	0	0	0	0	108.6	Q502 R503 D504 A546 P584 G585	Q502-V544 PolarHBondContact O-N 3.43Å; R503-V544 WeakPolarHBondContact CA-O 3.32Å; D504-V544 PolarHBondContact N-O 3.08Å; D504-V544 VanDerWaalsContact N-O 3.13Å; V544-A546 PolarHBondContact O-N 3.19Å; V544-P584 WeakPolarHBondContact CG1-O 3.3Å; V544-G585 VanDerWaalsContact CG1-C 3.45Å
545	R	95.6	Very high	93.2	Very high	34 Å²	34	59.5 Å²	59.5	13%	0.128	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	97.2	179	-177	60.9	52.7	91.9	1.9	110.6	D504 A537 P538 G585	D504-R545 VanDerWaalsContact CG-NE 3.3Å; D504-R545 WeakPolarHBondContact O-CA 3.15Å; D504-R545 WeakPolarHBondContact OD1-CA 3.39Å; D504-R545 IonicContact OD1-CZ 3.39Å; D504-R545 PolarHBondContact OD1-N 3.13Å; D504-R545 IonicContact OD1-NE 2.77Å; D504-R545 PolarHBondContact OD1-NE 3.19Å; D504-R545 IonicContact OD1-NH2 3.81Å; D504-R545 IonicContact OD2-CZ 2.66Å; D504-R545 IonicContact OD2-NE 2.81Å; D504-R545 PolarHBondContact OD2-NE 3.31Å; D504-R545 IonicContact OD2-NH2 2.75Å; D504-R545 PolarHBondContact OD2-NH2 3.01Å; A537-R545 PolarHBondContact O-NH1 3.01Å; A537-R545 PolarHBondContact O-NH2 3.28Å; P538-R545 PolarHBondContact O-NH2 2.68Å; P538-R545 VanDerWaalsContact O-NH2 3.16Å; R545-G585 VanDerWaalsContact O-CA 3.31Å; R545-G585 WeakPolarHBondContact O-CA 3.38Å
546	A	95.9	Very high	93.3	Very high	3 Å²	3	53 Å²	53	3%	0.025	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	153.6	168.5	0	0	0	0	0	110.3	R503 D504 I505 V544 N583	R503-A546 HydrophobicContact CB-CB 4.38Å; R503-A546 HydrophobicContact CG-CB 3.82Å; D504-A546 PolarHBondContact O-N 3.43Å; I505-A546 HydrophobicContact CD1-CB 4.49Å; I505-A546 HydrophobicContact CG1-CB 4.14Å; V544-A546 PolarHBondContact O-N 3.19Å; A546-N583 CarbonylContact C-O 3.51Å; A546-N583 VanDerWaalsContact CA-O 3.25Å; A546-N583 WeakPolarHBondContact CA-O 3.46Å; A546-N583 VanDerWaalsContact CB-O 3.29Å; A546-N583 WeakPolarHBondContact CB-O 3.4Å
547	K	97.2	Very high	93.4	Very high	113 Å²	113	49.6 Å²	49.6	49%	0.491	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	137.1	173.6	-65.6	-164.7	175.2	-158.7	0	109.8	S531 N583	S531-K547 WeakPolarHBondContact OG-CA 3.36Å; K547-N583 HydrophobicContact CB-CB 4.39Å; K547-N583 PolarHBondContact N-O 2.66Å; K547-N583 PolarHBondContact O-N 3.14Å
548	I	97.8	Very high	93.4	Very high	20 Å²	20	51.8 Å²	51.8	10%	0.103	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	150.7	179.7	63.3	169.3	0	0	0	112	I505 Y507 N529 F530 S531 V550 N581 V582	I505-I548 HydrophobicContact CD1-CG2 3.86Å; I505-I548 HydrophobicContact CG2-CD1 4.02Å; I505-I548 HydrophobicContact CG2-CG1 3.92Å; I505-I548 HydrophobicContact CG2-CG2 4.13Å; Y507-I548 HydrophobicContact CD1-CD1 4.22Å; Y507-I548 HydrophobicContact CD2-CD1 4.18Å; Y507-I548 HydrophobicContact CG-CD1 3.89Å; N529-I548 HydrophobicContact CB-CD1 4.13Å; F530-I548 WeakPolarHBondContact CA-O 3.19Å; S531-I548 PolarHBondContact N-O 3.03Å; S531-I548 PolarHBondContact OG-N 3.11Å; I548-V550 HydrophobicContact CB-CG2 4.17Å; I548-V550 HydrophobicContact CD1-CG2 4.38Å; I548-N581 WeakPolarHBondContact CA-O 3.34Å; I548-V582 HydrophobicContact CG2-CG1 4.29Å; I548-V582 HydrophobicContact CG2-CG2 4.16Å
549	N	98.1	Very high	93.3	Very high	36 Å²	36	52 Å²	52	19%	0.193	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	102.2	151.3	-173.4	29	0	0	0	109.1	M399 H403 N581	M399-N549 HydrophobicContact CE-CB 4.2Å; M399-N549 VanDerWaalsContact CE-CG 3.41Å; M399-N549 VanDerWaalsContact CE-OD1 3.27Å; M399-N549 WeakPolarHBondContact CE-OD1 3.17Å; H403-N549 PolarHBondContact NE2-ND2 2.96Å; H403-N549 VanDerWaalsContact NE2-ND2 3.19Å; H403-N549 PolarHBondContact NE2-OD1 3.02Å; H403-N549 VanDerWaalsContact NE2-OD1 3.09Å; N549-N581 PolarHBondContact N-O 2.93Å; N549-N581 PolarHBondContact O-N 3.22Å; N549-N581 PolarHBondContact O-ND2 3.29Å; N549-N581 VanDerWaalsContact O-ND2 3.16Å
550	V	98.2	Very high	93.1	Very high	10 Å²	10	53 Å²	53	6%	0.061	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	138.8	-173.8	169	0	0	0	0	109	N529 I548 Y578 V579 A580	N529-V550 HydrophobicContact CB-CB 4.13Å; N529-V550 PolarHBondContact N-O 2.96Å; N529-V550 PolarHBondContact O-N 2.81Å; I548-V550 HydrophobicContact CB-CG2 4.17Å; I548-V550 HydrophobicContact CD1-CG2 4.38Å; V550-Y578 HydrophobicContact CG1-CE2 3.62Å; V550-V579 CarbonylContact C-O 3.52Å; V550-V579 VanDerWaalsContact CA-O 3.23Å; V550-V579 WeakPolarHBondContact CA-O 3.41Å; V550-A580 HydrophobicContact CG2-CB 3.82Å
551	A	98.5	Very high	93.2	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	138.8	170.3	0	0	0	0	0	112.7	H403 V527 I553 Y578 V579	H403-A551 HydrophobicContact CB-CB 4.34Å; V527-A551 CarbonylContact O-C 3.6Å; V527-A551 VanDerWaalsContact O-CA 3.23Å; V527-A551 WeakPolarHBondContact O-CA 3.23Å; A551-I553 HydrophobicContact CB-CD1 4.39Å; A551-I553 HydrophobicContact CB-CG1 4.05Å; A551-Y578 WeakPolarHBondContact O-CA 3.29Å; A551-V579 HydrophobicContact CB-CG2 3.85Å; A551-V579 PolarHBondContact N-O 2.8Å; A551-V579 PolarHBondContact O-N 2.71Å
552	M	98.6	Very high	93.4	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	108.1	168.4	-177.2	67.5	78.8	0	0	107.4	V457 F461 L526 V527 I576 Y578 F604 L605 F608	V457-M552 HydrophobicContact CG1-CG 4.47Å; F461-M552 HydrophobicContact CB-CG 4.42Å; F461-M552 HydrophobicContact CD1-CB 3.52Å; F461-M552 HydrophobicContact CD1-CG 4.08Å; F461-M552 HydrophobicContact CD2-CE 3.73Å; F461-M552 HydrophobicContact CE1-CB 3.68Å; F461-M552 HydrophobicContact CE2-CE 3.89Å; F461-M552 HydrophobicContact CG-CB 4.08Å; F461-M552 HydrophobicContact CG-CE 4.09Å; F461-M552 HydrophobicContact CG-CG 4.13Å; F461-M552 HydrophobicContact CZ-CB 4.37Å; F461-M552 HydrophobicContact CZ-CE 4.37Å; L526-M552 WeakPolarHBondContact CA-O 3.3Å; V527-M552 HydrophobicContact CB-CB 4.42Å; V527-M552 PolarHBondContact N-O 3.06Å; V527-M552 PolarHBondContact O-N 2.84Å; M552-I576 HydrophobicContact SD-CG2 3.46Å; M552-I576 WeakPolarHBondContact SD-CG2 3.35Å; M552-Y578 HydrophobicContact CE-CD2 3.68Å; M552-Y578 HydrophobicContact CE-CE2 4.29Å; M552-Y578 HydrophobicContact CE-CG 4.5Å; M552-Y578 HydrophobicContact SD-CD2 4.08Å; M552-F604 HydrophobicContact CE-CE1 4.33Å; M552-F604 HydrophobicContact CE-CZ 3.75Å; M552-L605 HydrophobicContact CE-CD2 4.39Å; M552-F608 HydrophobicContact CE-CD1 4.06Å; M552-F608 HydrophobicContact CE-CE1 3.97Å
553	I	98.4	Very high	93.3	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	122.9	-174.3	-42.8	178.4	0	0	0	108.7	H403 M404 L408 T524 L526 A551 I576 T577	H403-I553 HydrophobicContact CB-CD1 4.09Å; M404-I553 HydrophobicContact SD-CG2 4.38Å; L408-I553 HydrophobicContact CD2-CB 4.48Å; L408-I553 HydrophobicContact CD2-CG2 3.9Å; L408-I553 HydrophobicContact CG-CG2 4.4Å; T524-I553 HydrophobicContact CG2-CG2 3.47Å; T524-I553 VanDerWaalsContact CG2-CG2 3.47Å; L526-I553 HydrophobicContact CD1-CD1 4.1Å; L526-I553 HydrophobicContact CD1-CG1 3.83Å; L526-I553 HydrophobicContact CD1-CG2 4.14Å; L526-I553 HydrophobicContact CG-CG1 4.14Å; A551-I553 HydrophobicContact CB-CD1 4.39Å; A551-I553 HydrophobicContact CB-CG1 4.05Å; I553-I576 CarbonylContact O-C 3.36Å; I553-I576 WeakPolarHBondContact O-CA 3.43Å; I553-T577 WeakPolarHBondContact CB-O 3.24Å; I553-T577 PolarHBondContact N-O 3.39Å; I553-T577 PolarHBondContact O-N 2.82Å
554	C	98.3	Very high	92.9	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	131.3	-169.7	-59.9	0	0	0	0	112.6	V457 C458 T524 W525 K575	V457-C554 VanDerWaalsContact CG1-SG 3.55Å; C458-C554 VanDerWaalsContact SG-SG 3.7Å; T524-C554 WeakPolarHBondContact CA-O 3.36Å; W525-C554 PolarHBondContact N-O 3.25Å; W525-C554 PolarHBondContact O-N 2.95Å; C554-K575 CarbonylContact C-O 3.59Å; C554-K575 WeakPolarHBondContact CA-O 3.38Å
555	Q	96.8	Very high	92.6	Very high	48 Å²	48	55.9 Å²	55.9	22%	0.224	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	120.6	177.5	-72.2	-178.8	-23.8	0	0	110.1	P522 T524 K575	P522-Q555 HydrophobicContact CB-CB 4.36Å; P522-Q555 HydrophobicContact CG-CB 3.9Å; P522-Q555 HydrophobicContact CG-CG 3.97Å; T524-Q555 HydrophobicContact CG2-CG 4.04Å; T524-Q555 WeakPolarHBondContact OG1-CG 3.35Å; T524-Q555 PolarHBondContact OG1-NE2 2.94Å; Q555-K575 HydrophobicContact CB-CB 4.43Å; Q555-K575 PolarHBondContact N-O 2.89Å; Q555-K575 PolarHBondContact O-N 2.87Å
556	T	96.1	Very high	92.2	Very high	21 Å²	21	63.1 Å²	63.1	13%	0.129	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	117.8	178	-49.5	0	0	0	0	109.8	T453 G454 V558	T453-T556 HydrophobicContact CG2-CG2 4.09Å; G454-T556 PolarHBondContact N-OG1 3.35Å; T556-V558 HydrophobicContact CG2-CG2 4.11Å
557	L	93.9	Very high	92	Very high	62 Å²	62	66.2 Å²	66.2	33%	0.325	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	128.4	165.9	-59.9	-176	0	0	0	109.4	P522 I572 L573 K575	P522-L557 HydrophobicContact CB-CD2 4.37Å; P522-L557 HydrophobicContact CG-CD2 4.33Å; L557-I572 WeakPolarHBondContact O-CA 3.45Å; L557-L573 HydrophobicContact CB-CB 4.49Å; L557-L573 PolarHBondContact N-O 2.92Å; L557-L573 PolarHBondContact O-N 2.9Å; L557-K575 HydrophobicContact CD1-CD 3.77Å; L557-K575 VanDerWaalsContact CD1-CE 3.5Å; L557-K575 HydrophobicContact CD1-CG 4.17Å; L557-K575 HydrophobicContact CG-CD 4.44Å
558	V	92.4	Very high	91.8	Very high	55 Å²	55	63 Å²	63	33%	0.333	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.1	176.4	-175.8	0	0	0	0	108.5	T556 P560 I567 I572 F623	T556-V558 HydrophobicContact CG2-CG2 4.11Å; V558-P560 WeakPolarHBondContact O-CD 3.3Å; V558-I567 HydrophobicContact CG1-CD1 4.01Å; V558-I567 HydrophobicContact CG1-CG1 4.19Å; V558-I567 HydrophobicContact CG1-CG2 3.74Å; V558-I572 HydrophobicContact CG1-CG2 4.46Å; V558-I572 HydrophobicContact CG2-CG2 4.18Å; V558-F623 HydrophobicContact CG2-CE1 3.97Å
559	S	89.9	Confident	91.7	Very high	80 Å²	80	64 Å²	64	56%	0.559	36%	0.355	S	S	*	.			trans	-93.3	106.5	168.8	-60.1	0	0	0	0	108.5	N571	S559-N571 PolarHBondContact N-O 3.42Å; S559-N571 WeakPolarHBondContact O-CB 3.34Å; S559-N571 PolarHBondContact O-ND2 2.8Å
560	P	84.9	Confident	91.4	Very high	115 Å²	115	69.9 Å²	69.9	75%	0.747	39%	0.386	S	S	*	.			trans	-56.6	131.8	-174.8	-25.6	35.4	0	0	0	111.6	V558	V558-P560 WeakPolarHBondContact O-CD 3.3Å
561	P	84.1	Confident	91.2	Very high	27 Å²	27	71 Å²	71	18%	0.175	39%	0.392	C	S	.	.			trans	-70.1	155.8	-178.8	29.8	-35.4	0	0	0	111.7	G563 K565	P561-G563 PolarHBondContact O-N 2.9Å; P561-G563 VanDerWaalsContact O-N 3.14Å; P561-K565 HydrophobicContact CB-CB 4.05Å; P561-K565 HydrophobicContact CG-CB 4.04Å; P561-K565 VanDerWaalsContact CG-O 3.24Å; P561-K565 WeakPolarHBondContact CG-O 3.17Å
562	E	83.6	Confident	91.1	Very high	169 Å²	169	71.2 Å²	71.2	79%	0.79	39%	0.393	S	S	*	.	S	Bend	trans	-69.7	109.7	177.7	-69.4	-173.6	162.5	0	0	112	K565	E562-K565 WeakPolarHBondContact O-CD 3.19Å; E562-K565 VanDerWaalsContact O-CE 3.25Å; E562-K565 WeakPolarHBondContact O-CE 3.14Å; E562-K565 PolarHBondContact O-NZ 2.94Å
563	G	80.1	Confident	91	Very high	64 Å²	64	73.5 Å²	73.5	66%	0.66	41%	0.405	S	S	*	.	S	Bend	trans	90.9	-166.9	177.6	0	0	0	0	0	113.2	P561 K565	P561-G563 PolarHBondContact O-N 2.9Å; P561-G563 VanDerWaalsContact O-N 3.14Å; G563-K565 PolarHBondContact O-N 2.99Å
564	D	80.5	Confident	91	Very high	183 Å²	183	73.4 Å²	73.4	98%	0.979	40%	0.404	S	S	*	.	S	Bend	trans	-80.2	65.9	-177.8	-159.1	23.8	0	0	0	110.6
565	K	85.6	Confident	91	Very high	132 Å²	132	78.4 Å²	78.4	57%	0.574	43%	0.426	S	S	*	.			trans	-116.4	145.6	-179.1	-67.8	175.5	-173.3	139.8	0	110.1	P561 E562 G563	P561-K565 HydrophobicContact CB-CB 4.05Å; P561-K565 HydrophobicContact CG-CB 4.04Å; P561-K565 VanDerWaalsContact CG-O 3.24Å; P561-K565 WeakPolarHBondContact CG-O 3.17Å; E562-K565 WeakPolarHBondContact O-CD 3.19Å; E562-K565 VanDerWaalsContact O-CE 3.25Å; E562-K565 WeakPolarHBondContact O-CE 3.14Å; E562-K565 PolarHBondContact O-NZ 2.94Å; G563-K565 PolarHBondContact O-N 2.99Å
566	E	86.8	Confident	91	Very high	185 Å²	185	76.2 Å²	76.2	86%	0.864	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-63.6	148.2	170	-64	-178.8	171.8	0	0	111.3	S568	E566-S568 PolarHBondContact O-N 2.57Å
567	I	92.1	Very high	91.1	Very high	68 Å²	68	76.1 Å²	76.1	35%	0.349	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-70.2	120.5	177.9	-60.6	160.4	0	0	0	108.3	V558 N571 I572 I621 F623	V558-I567 HydrophobicContact CG1-CD1 4.01Å; V558-I567 HydrophobicContact CG1-CG1 4.19Å; V558-I567 HydrophobicContact CG1-CG2 3.74Å; I567-N571 HydrophobicContact CG2-CB 3.89Å; I567-I572 HydrophobicContact CG2-CG2 3.75Å; I567-I621 VanDerWaalsContact O-CD1 3.27Å; I567-I621 WeakPolarHBondContact O-CD1 3.24Å; I567-F623 HydrophobicContact CB-CZ 4.39Å; I567-F623 HydrophobicContact CD1-CZ 4.07Å; I567-F623 HydrophobicContact CG2-CZ 4.13Å
568	S	93.4	Very high	91.3	Very high	46 Å²	46	73.9 Å²	73.9	32%	0.322	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-91.7	168.6	176	80.4	0	0	0	0	112.1	E566 D570 N571	E566-S568 PolarHBondContact O-N 2.57Å; S568-D570 PolarHBondContact O-N 2.67Å; S568-D570 PolarHBondContact OG-N 3.24Å; S568-N571 WeakPolarHBondContact CB-OD1 3.31Å; S568-N571 PolarHBondContact N-OD1 2.91Å; S568-N571 VanDerWaalsContact N-OD1 3.13Å; S568-N571 WeakPolarHBondContact O-CB 3.46Å; S568-N571 PolarHBondContact O-N 3.08Å; S568-N571 PolarHBondContact OG-OD1 3.05Å
569	R	94.4	Very high	91.6	Very high	41 Å²	41	71.7 Å²	71.7	16%	0.155	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-64.5	-23.5	172.4	-73.5	-173.2	-179.3	-77.3	-3.4	112.5	G451 E456 N571 I572 T616 N619 P620 I621	G451-R569 VanDerWaalsContact CA-O 3.23Å; G451-R569 WeakPolarHBondContact CA-O 3.41Å; G451-R569 PolarHBondContact N-O 3.31Å; G451-R569 WeakPolarHBondContact O-CD 3.4Å; G451-R569 PolarHBondContact O-NH1 3.08Å; E456-R569 VanDerWaalsContact CD-NH1 3.34Å; E456-R569 IonicContact OE1-CZ 2.73Å; E456-R569 IonicContact OE1-NH1 2.77Å; E456-R569 PolarHBondContact OE1-NH1 3.43Å; E456-R569 IonicContact OE1-NH2 2.73Å; E456-R569 PolarHBondContact OE1-NH2 3.44Å; E456-R569 IonicContact OE2-CZ 3Å; E456-R569 IonicContact OE2-NH1 3.64Å; E456-R569 PolarHBondContact OE2-NH1 3.39Å; E456-R569 IonicContact OE2-NH2 3.63Å; R569-N571 PolarHBondContact O-N 2.76Å; R569-I572 HydrophobicContact CG-CD1 4.33Å; R569-I572 WeakPolarHBondContact O-CG1 3.19Å; R569-I572 PolarHBondContact O-N 2.88Å; R569-T616 PolarHBondContact NE-O 3.11Å; R569-T616 PolarHBondContact NH2-O 3.1Å; R569-N619 PolarHBondContact NE-O 2.9Å; R569-N619 PolarHBondContact NH2-O 2.91Å; R569-P620 PolarHBondContact NH2-O 3.12Å; R569-I621 HydrophobicContact CG-CD1 3.96Å; R569-I621 HydrophobicContact CG-CG1 3.88Å
570	D	93.5	Very high	91.9	Very high	160 Å²	160	67.9 Å²	67.9	86%	0.856	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-70.5	-16.6	172.9	-60.5	-38.6	0	0	0	113	S568	S568-D570 PolarHBondContact O-N 2.67Å; S568-D570 PolarHBondContact OG-N 3.24Å
571	N	93.9	Very high	92.4	Very high	33 Å²	33	65.3 Å²	65.3	18%	0.176	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-88.4	-10.2	178.6	-66.3	98.5	0	0	0	114.1	S559 I567 S568 R569	S559-N571 PolarHBondContact N-O 3.42Å; S559-N571 WeakPolarHBondContact O-CB 3.34Å; S559-N571 PolarHBondContact O-ND2 2.8Å; I567-N571 HydrophobicContact CG2-CB 3.89Å; S568-N571 WeakPolarHBondContact CB-OD1 3.31Å; S568-N571 PolarHBondContact N-OD1 2.91Å; S568-N571 VanDerWaalsContact N-OD1 3.13Å; S568-N571 WeakPolarHBondContact O-CB 3.46Å; S568-N571 PolarHBondContact O-N 3.08Å; S568-N571 PolarHBondContact OG-OD1 3.05Å; R569-N571 PolarHBondContact O-N 2.76Å
572	I	95.7	Very high	93	Very high	4 Å²	4	66.2 Å²	66.2	2%	0.021	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	139.8	-171.1	70	179.9	0	0	0	113.2	G451 T453 L557 V558 I567 R569 I621 F623	G451-I572 PolarHBondContact N-O 3.03Å; T453-I572 HydrophobicContact CG2-CD1 3.88Å; L557-I572 WeakPolarHBondContact O-CA 3.45Å; V558-I572 HydrophobicContact CG1-CG2 4.46Å; V558-I572 HydrophobicContact CG2-CG2 4.18Å; I567-I572 HydrophobicContact CG2-CG2 3.75Å; R569-I572 HydrophobicContact CG-CD1 4.33Å; R569-I572 WeakPolarHBondContact O-CG1 3.19Å; R569-I572 PolarHBondContact O-N 2.88Å; I572-I621 HydrophobicContact CD1-CD1 4.32Å; I572-I621 HydrophobicContact CD1-CG2 3.96Å; I572-F623 HydrophobicContact CG2-CE1 4.45Å
573	L	96.9	Very high	93.5	Very high	48 Å²	48	61 Å²	61	25%	0.251	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	111.7	177.9	-176.9	77.1	0	0	0	109.5	A448 V449 K450 L557 K575	A448-L573 HydrophobicContact CB-CD1 4.06Å; A448-L573 HydrophobicContact CB-CD2 4.38Å; A448-L573 HydrophobicContact CB-CG 4.37Å; V449-L573 CarbonylContact O-C 3.52Å; V449-L573 WeakPolarHBondContact O-CA 3.48Å; K450-L573 HydrophobicContact CB-CD1 4.5Å; K450-L573 HydrophobicContact CG-CD1 3.57Å; L557-L573 HydrophobicContact CB-CB 4.49Å; L557-L573 PolarHBondContact N-O 2.92Å; L557-L573 PolarHBondContact O-N 2.9Å; L573-K575 PolarHBondContact O-N 2.79Å
574	C	97.9	Very high	94	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	115.9	170	-178.6	0	0	0	0	109.9	A448 V449 V452 V457	A448-C574 WeakPolarHBondContact CA-O 3.21Å; V449-C574 PolarHBondContact N-O 3.04Å; V449-C574 PolarHBondContact O-N 2.76Å; V452-C574 HydrophobicContact CG2-CB 3.87Å; V452-C574 WeakPolarHBondContact O-CB 3.49Å; V457-C574 HydrophobicContact CG2-CB 4.5Å
575	K	97.6	Very high	94.4	Very high	105 Å²	105	51.4 Å²	51.4	46%	0.457	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	120.8	163.5	-77.4	-175.5	171.9	177.3	0	109	C554 Q555 L557 L573	C554-K575 CarbonylContact C-O 3.59Å; C554-K575 WeakPolarHBondContact CA-O 3.38Å; Q555-K575 HydrophobicContact CB-CB 4.43Å; Q555-K575 PolarHBondContact N-O 2.89Å; Q555-K575 PolarHBondContact O-N 2.87Å; L557-K575 HydrophobicContact CD1-CD 3.77Å; L557-K575 VanDerWaalsContact CD1-CE 3.5Å; L557-K575 HydrophobicContact CD1-CG 4.17Å; L557-K575 HydrophobicContact CG-CD 4.44Å; L573-K575 PolarHBondContact O-N 2.79Å
576	I	98.2	Very high	94.4	Very high	3 Å²	3	46 Å²	46	2%	0.015	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	131.5	178.5	-57.7	177.3	0	0	0	108.7	T446 H447 V449 V457 M552 I553 T609	T446-I576 WeakPolarHBondContact CA-O 3.43Å; H447-I576 HydrophobicContact CB-CB 4.36Å; H447-I576 PolarHBondContact N-O 2.73Å; H447-I576 PolarHBondContact O-N 2.96Å; V449-I576 HydrophobicContact CG2-CD1 3.62Å; V449-I576 HydrophobicContact CG2-CG1 4.44Å; V457-I576 HydrophobicContact CG1-CD1 3.92Å; V457-I576 HydrophobicContact CG1-CG1 4.41Å; V457-I576 HydrophobicContact CG2-CD1 4.46Å; M552-I576 HydrophobicContact SD-CG2 3.46Å; M552-I576 WeakPolarHBondContact SD-CG2 3.35Å; I553-I576 CarbonylContact O-C 3.36Å; I553-I576 WeakPolarHBondContact O-CA 3.43Å; I576-T609 HydrophobicContact CD1-CG2 3.62Å
577	T	98.1	Very high	94.1	Very high	18 Å²	18	41.5 Å²	41.5	11%	0.11	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	111.6	159.6	-64.9	0	0	0	0	107.9	S407 K444 A445 I553 V579	S407-T577 WeakPolarHBondContact O-CG2 3.42Å; K444-T577 HydrophobicContact CD-CG2 4.42Å; A445-T577 WeakPolarHBondContact O-CA 3.44Å; I553-T577 WeakPolarHBondContact CB-O 3.24Å; I553-T577 PolarHBondContact N-O 3.39Å; I553-T577 PolarHBondContact O-N 2.82Å; T577-V579 HydrophobicContact CG2-CG1 4.35Å
578	Y	98.3	Very high	93.5	Very high	16 Å²	16	38.8 Å²	38.8	6%	0.063	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	132.5	174.3	176	-98.7	0	0	0	108.9	L443 K444 A445 F461 V550 A551 M552 A580 Y601 F604 L605	L443-Y578 HydrophobicContact CD1-CD1 4.13Å; L443-Y578 HydrophobicContact CD1-CE1 4.18Å; K444-Y578 CarbonylContact C-O 3.56Å; K444-Y578 WeakPolarHBondContact CA-O 3.31Å; A445-Y578 PolarHBondContact N-O 2.89Å; A445-Y578 PolarHBondContact O-N 2.83Å; F461-Y578 HydrophobicContact CZ-CE2 4.23Å; V550-Y578 HydrophobicContact CG1-CE2 3.62Å; A551-Y578 WeakPolarHBondContact O-CA 3.29Å; M552-Y578 HydrophobicContact CE-CD2 3.68Å; M552-Y578 HydrophobicContact CE-CE2 4.29Å; M552-Y578 HydrophobicContact CE-CG 4.5Å; M552-Y578 HydrophobicContact SD-CD2 4.08Å; Y578-A580 HydrophobicContact CE1-CB 3.82Å; Y578-Y601 AromaticContact CE1-CD1 3.74Å; Y578-Y601 HydrophobicContact CE1-CD1 3.74Å; Y578-Y601 AromaticContact CE1-CE1 3.82Å; Y578-Y601 HydrophobicContact CE1-CE1 3.82Å; Y578-F604 HydrophobicContact CD1-CE1 4.46Å; Y578-F604 HydrophobicContact CD2-CE1 4.08Å; Y578-F604 HydrophobicContact CE1-CE1 4.14Å; Y578-F604 AromaticContact CE2-CE1 3.7Å; Y578-F604 HydrophobicContact CE2-CE1 3.7Å; Y578-F604 HydrophobicContact CE2-CZ 4.16Å; Y578-F604 HydrophobicContact CG-CE1 4.43Å; Y578-F604 AromaticContact CZ-CE1 3.74Å; Y578-L605 HydrophobicContact CD1-CD2 4.44Å; Y578-L605 HydrophobicContact CG-CD2 4.1Å
579	V	97.6	Very high	92.7	Very high	8 Å²	8	37.4 Å²	37.4	5%	0.048	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	140.7	173.3	-68.5	0	0	0	0	110.4	L443 K444 V550 A551 T577	L443-V579 CarbonylContact O-C 3.55Å; L443-V579 WeakPolarHBondContact O-CA 3.25Å; K444-V579 HydrophobicContact CB-CG1 4.02Å; K444-V579 HydrophobicContact CD-CG1 4.25Å; K444-V579 HydrophobicContact CG-CG1 3.99Å; V550-V579 CarbonylContact C-O 3.52Å; V550-V579 VanDerWaalsContact CA-O 3.23Å; V550-V579 WeakPolarHBondContact CA-O 3.41Å; A551-V579 HydrophobicContact CB-CG2 3.85Å; A551-V579 PolarHBondContact N-O 2.8Å; A551-V579 PolarHBondContact O-N 2.71Å; T577-V579 HydrophobicContact CG2-CG1 4.35Å
580	A	96.9	Very high	92	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.008	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	117.8	176.6	0	0	0	0	0	110.5	L443 V550 Y578 V582 Y601	L443-A580 HydrophobicContact CB-CB 4.29Å; L443-A580 WeakPolarHBondContact CB-O 3.3Å; L443-A580 PolarHBondContact N-O 2.91Å; L443-A580 PolarHBondContact O-N 3.43Å; V550-A580 HydrophobicContact CG2-CB 3.82Å; Y578-A580 HydrophobicContact CE1-CB 3.82Å; A580-V582 HydrophobicContact CB-CG2 4.47Å; A580-Y601 HydrophobicContact CB-CE1 3.86Å
581	N	95.9	Very high	91.2	Very high	61 Å²	61	30.9 Å²	30.9	33%	0.326	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	115.2	168.1	-52.3	-88.8	0	0	0	106.5	I548 N549	I548-N581 WeakPolarHBondContact CA-O 3.34Å; N549-N581 PolarHBondContact N-O 2.93Å; N549-N581 PolarHBondContact O-N 3.22Å; N549-N581 PolarHBondContact O-ND2 3.29Å; N549-N581 VanDerWaalsContact O-ND2 3.16Å
582	V	95.4	Very high	90.3	Very high	45 Å²	45	29.5 Å²	29.5	27%	0.273	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	117.6	-173.9	-178.1	0	0	0	0	109.2	I548 A580 Y601	I548-V582 HydrophobicContact CG2-CG1 4.29Å; I548-V582 HydrophobicContact CG2-CG2 4.16Å; A580-V582 HydrophobicContact CB-CG2 4.47Å; V582-Y601 WeakPolarHBondContact CG2-OH 3.38Å
583	N	94.5	Very high	89.6	Confident	59 Å²	59	31.6 Å²	31.6	32%	0.316	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	116.6	166.9	-177.5	-41.6	0	0	0	108.1	L440 A546 K547 G585	L440-N583 HydrophobicContact CD2-CB 3.66Å; L440-N583 WeakPolarHBondContact CD2-ND2 3.36Å; A546-N583 CarbonylContact C-O 3.51Å; A546-N583 VanDerWaalsContact CA-O 3.25Å; A546-N583 WeakPolarHBondContact CA-O 3.46Å; A546-N583 VanDerWaalsContact CB-O 3.29Å; A546-N583 WeakPolarHBondContact CB-O 3.4Å; K547-N583 HydrophobicContact CB-CB 4.39Å; K547-N583 PolarHBondContact N-O 2.66Å; K547-N583 PolarHBondContact O-N 3.14Å; N583-G585 PolarHBondContact O-N 2.92Å; N583-G585 PolarHBondContact OD1-N 3.22Å
584	P	90.8	Very high	89.1	Confident	8 Å²	8	31.3 Å²	31.3	5%	0.052	18%	0.176	C	C	.	.			trans	-73.2	6.3	-174.9	32.3	-38.5	0	0	0	114.3	I438 V439 R503 V544 G586 L593	I438-P584 HydrophobicContact CG2-CG 3.58Å; V439-P584 WeakPolarHBondContact O-CD 3.3Å; R503-P584 PolarHBondContact NE-O 3.39Å; R503-P584 PolarHBondContact NH2-O 2.84Å; V544-P584 WeakPolarHBondContact CG1-O 3.3Å; P584-G586 PolarHBondContact O-N 3.45Å; P584-G586 VanDerWaalsContact O-N 3.12Å; P584-L593 HydrophobicContact CB-CD1 4.19Å; P584-L593 HydrophobicContact CG-CD1 3.95Å
585	G	89.6	Confident	88.3	Confident	38 Å²	38	33 Å²	33	39%	0.392	19%	0.191	S	C	.	.	S	Bend	trans	75.7	-7.4	171.9	0	0	0	0	0	115.7	V544 R545 N583	V544-G585 VanDerWaalsContact CG1-C 3.45Å; R545-G585 VanDerWaalsContact O-CA 3.31Å; R545-G585 WeakPolarHBondContact O-CA 3.38Å; N583-G585 PolarHBondContact O-N 2.92Å; N583-G585 PolarHBondContact OD1-N 3.22Å
586	G	84.6	Confident	87.7	Confident	18 Å²	18	29.2 Å²	29.2	19%	0.186	18%	0.176	C	C	.	.	S	Bend	trans	168.6	-176.8	-173.3	0	0	0	0	0	110.4	R503 P584	R503-G586 PolarHBondContact NH2-O 3.25Å; R503-G586 VanDerWaalsContact NH2-O 3.08Å; P584-G586 PolarHBondContact O-N 3.45Å; P584-G586 VanDerWaalsContact O-N 3.12Å
587	W	80.9	Confident	87	Confident	92 Å²	92	30.4 Å²	30.4	35%	0.348	19%	0.186	S	C	.	.			trans	-54.5	136.8	-170.7	-179.4	85.6	0	0	0	114.2	G311 P312 P499 A500 R503 P589	G311-W587 VanDerWaalsContact C-CZ3 3.47Å; G311-W587 WeakPolarHBondContact O-CH2 3.22Å; P312-W587 HydrophobicContact CB-CD2 4.31Å; P312-W587 HydrophobicContact CB-CG 4.36Å; P312-W587 HydrophobicContact CB-CZ2 4.33Å; P499-W587 HydrophobicContact CG-CH2 4.08Å; P499-W587 HydrophobicContact CG-CZ3 4.33Å; A500-W587 HydrophobicContact CB-CE3 4.49Å; A500-W587 HydrophobicContact CB-CZ3 4.34Å; R503-W587 PolarHBondContact NH2-O 3.42Å; W587-P589 HydrophobicContact CH2-CG 3.52Å; W587-P589 HydrophobicContact CZ2-CG 3.68Å; W587-P589 HydrophobicContact CZ3-CG 4.24Å
588	A	78.8	Confident	86.4	Confident	10 Å²	10	34.7 Å²	34.7	8%	0.083	20%	0.204	C	C	.	.			trans	-155.1	146.9	164.6	0	0	0	0	0	108.2	A500 A590 L593	A500-A588 HydrophobicContact CB-CB 3.9Å; A588-A590 PolarHBondContact O-N 2.95Å; A588-L593 HydrophobicContact CB-CD1 3.75Å; A588-L593 HydrophobicContact CB-CD2 4.29Å; A588-L593 HydrophobicContact CB-CG 3.94Å
589	P	77.3	Confident	85.8	Confident	17 Å²	17	36.5 Å²	36.5	11%	0.11	21%	0.21	C	C	.	.			trans	-61.9	133.3	176.5	-23	34.6	0	0	0	111.8	F321 P499 W587 S591 V592 L593	F321-P589 HydrophobicContact CE1-CB 4.42Å; F321-P589 HydrophobicContact CZ-CB 4Å; F321-P589 HydrophobicContact CZ-CG 3.92Å; P499-P589 HydrophobicContact CG-CG 3.75Å; W587-P589 HydrophobicContact CH2-CG 3.52Å; W587-P589 HydrophobicContact CZ2-CG 3.68Å; W587-P589 HydrophobicContact CZ3-CG 4.24Å; P589-S591 VanDerWaalsContact C-N 3.34Å; P589-S591 PolarHBondContact O-N 3.49Å; P589-V592 HydrophobicContact CB-CB 4.27Å; P589-V592 HydrophobicContact CB-CG2 3.93Å; P589-V592 HydrophobicContact CG-CG2 4.22Å; P589-V592 PolarHBondContact O-N 3.01Å; P589-L593 PolarHBondContact O-N 3.41Å; P589-L593 VanDerWaalsContact O-N 3.13Å
590	A	80.1	Confident	85.4	Confident	27 Å²	27	37.3 Å²	37.3	22%	0.223	21%	0.213	C	C	.	.	H	α-helix	trans	-65.4	-38	-176.7	0	0	0	0	0	112.7	V439 A588 V592 L593 R594	V439-A590 HydrophobicContact CG2-CB 3.4Å; V439-A590 VanDerWaalsContact CG2-CB 3.4Å; A588-A590 PolarHBondContact O-N 2.95Å; A590-V592 PolarHBondContact O-N 3.39Å; A590-L593 PolarHBondContact O-N 2.92Å; A590-R594 VanDerWaalsContact O-CB 3.3Å; A590-R594 WeakPolarHBondContact O-CB 3.35Å; A590-R594 VanDerWaalsContact O-CG 3.28Å; A590-R594 WeakPolarHBondContact O-CG 3.27Å; A590-R594 PolarHBondContact O-N 2.64Å
591	S	75.8	Confident	85.1	Confident	37 Å²	37	39.3 Å²	39.3	26%	0.259	22%	0.221	S	C	.	.	H	α-helix	trans	-55.7	-47.1	172.4	45.6	0	0	0	0	112.3	P589 R594 A595	P589-S591 VanDerWaalsContact C-N 3.34Å; P589-S591 PolarHBondContact O-N 3.49Å; S591-R594 PolarHBondContact O-N 3.09Å; S591-A595 VanDerWaalsContact O-CB 3.31Å; S591-A595 WeakPolarHBondContact O-CB 3.47Å; S591-A595 PolarHBondContact O-N 2.83Å
592	V	75.9	Confident	84.8	Confident	5 Å²	5	36.7 Å²	36.7	3%	0.03	21%	0.208	C	C	.	.	H	α-helix	trans	-63.9	-51.8	178.1	177.8	0	0	0	0	111.5	F321 V325 V497 P589 A590 R594 A595 V596	F321-V592 HydrophobicContact CE1-CG2 3.38Å; F321-V592 HydrophobicContact CE2-CG2 4.31Å; F321-V592 HydrophobicContact CZ-CG2 3.19Å; V325-V592 HydrophobicContact CG2-CG2 4.02Å; V497-V592 HydrophobicContact CG1-CG1 3.34Å; P589-V592 HydrophobicContact CB-CB 4.27Å; P589-V592 HydrophobicContact CB-CG2 3.93Å; P589-V592 HydrophobicContact CG-CG2 4.22Å; P589-V592 PolarHBondContact O-N 3.01Å; A590-V592 PolarHBondContact O-N 3.39Å; V592-R594 PolarHBondContact O-N 3.4Å; V592-A595 PolarHBondContact O-N 2.94Å; V592-V596 HydrophobicContact CG1-CG2 3.93Å; V592-V596 WeakPolarHBondContact O-CB 3.23Å; V592-V596 VanDerWaalsContact O-CG2 3.3Å; V592-V596 WeakPolarHBondContact O-CG2 3.48Å; V592-V596 PolarHBondContact O-N 3.27Å
593	L	81.1	Confident	84.6	Confident	47 Å²	47	36.9 Å²	36.9	25%	0.246	20%	0.204	C	C	.	.	H	α-helix	trans	-59.9	-38.1	-179.3	-71.2	-178.8	0	0	0	111.3	V439 P584 A588 P589 A590 A597	V439-L593 HydrophobicContact CB-CD1 3.94Å; V439-L593 HydrophobicContact CG1-CD1 4.48Å; P584-L593 HydrophobicContact CB-CD1 4.19Å; P584-L593 HydrophobicContact CG-CD1 3.95Å; A588-L593 HydrophobicContact CB-CD1 3.75Å; A588-L593 HydrophobicContact CB-CD2 4.29Å; A588-L593 HydrophobicContact CB-CG 3.94Å; P589-L593 PolarHBondContact O-N 3.41Å; P589-L593 VanDerWaalsContact O-N 3.13Å; A590-L593 PolarHBondContact O-N 2.92Å; L593-A597 WeakPolarHBondContact O-CB 3.4Å; L593-A597 PolarHBondContact O-N 2.83Å
594	R	85.8	Confident	84.6	Confident	42 Å²	42	35 Å²	35	16%	0.158	19%	0.194	C	C	.	.	H	α-helix	trans	-69.6	-38.9	176.2	-74.3	176.3	178.1	132.2	14.7	113.2	E432 E434 D441 A590 S591 V592 K598	E432-R594 IonicContact OE1-CZ 3.61Å; E432-R594 IonicContact OE1-NE 3.78Å; E432-R594 PolarHBondContact OE1-NE 2.82Å; E434-R594 IonicContact OE1-CZ 2.78Å; E434-R594 IonicContact OE1-NH1 3.26Å; E434-R594 PolarHBondContact OE1-NH1 3.16Å; E434-R594 IonicContact OE1-NH2 3.28Å; E434-R594 PolarHBondContact OE1-NH2 3.41Å; D441-R594 IonicContact OD1-CZ 2.72Å; D441-R594 IonicContact OD1-NE 2.83Å; D441-R594 IonicContact OD1-NH2 3.52Å; D441-R594 PolarHBondContact OD1-NH2 3Å; D441-R594 WeakPolarHBondContact OD2-CG 3.48Å; D441-R594 IonicContact OD2-CZ 3.18Å; D441-R594 IonicContact OD2-NE 2.66Å; D441-R594 PolarHBondContact OD2-NE 2.97Å; D441-R594 IonicContact OD2-NH2 3.42Å; D441-R594 PolarHBondContact OD2-NH2 3.46Å; A590-R594 VanDerWaalsContact O-CB 3.3Å; A590-R594 WeakPolarHBondContact O-CB 3.35Å; A590-R594 VanDerWaalsContact O-CG 3.28Å; A590-R594 WeakPolarHBondContact O-CG 3.27Å; A590-R594 PolarHBondContact O-N 2.64Å; S591-R594 PolarHBondContact O-N 3.09Å; V592-R594 PolarHBondContact O-N 3.4Å; R594-K598 WeakPolarHBondContact O-CB 3.45Å; R594-K598 PolarHBondContact O-N 2.88Å
595	A	81.7	Confident	84.7	Confident	36 Å²	36	34.7 Å²	34.7	30%	0.298	19%	0.191	S	C	.	.	H	α-helix	trans	-69.5	-49.9	176.8	0	0	0	0	0	111.9	S591 V592 K598 R599	S591-A595 VanDerWaalsContact O-CB 3.31Å; S591-A595 WeakPolarHBondContact O-CB 3.47Å; S591-A595 PolarHBondContact O-N 2.83Å; V592-A595 PolarHBondContact O-N 2.94Å; A595-K598 PolarHBondContact O-N 2.89Å; A595-R599 PolarHBondContact O-N 3.39Å; A595-R599 VanDerWaalsContact O-N 3.09Å
596	V	83.5	Confident	84.9	Confident	25 Å²	25	37.8 Å²	37.8	15%	0.152	19%	0.194	C	C	.	.	H	α-helix	trans	-62.2	-47.1	177.7	176.7	0	0	0	0	110.5	L329 V497 V592 K598 R599 E600	L329-V596 HydrophobicContact CD1-CG2 4.43Å; L329-V596 HydrophobicContact CD2-CG2 4.3Å; V497-V596 HydrophobicContact CG1-CG2 3.97Å; V497-V596 HydrophobicContact CG2-CG1 4.5Å; V592-V596 HydrophobicContact CG1-CG2 3.93Å; V592-V596 WeakPolarHBondContact O-CB 3.23Å; V592-V596 VanDerWaalsContact O-CG2 3.3Å; V592-V596 WeakPolarHBondContact O-CG2 3.48Å; V592-V596 PolarHBondContact O-N 3.27Å; V596-K598 VanDerWaalsContact C-N 3.33Å; V596-K598 PolarHBondContact O-N 3.42Å; V596-R599 PolarHBondContact O-N 2.91Å; V596-R599 VanDerWaalsContact O-N 3.13Å; V596-E600 HydrophobicContact CG1-CG 3.8Å; V596-E600 WeakPolarHBondContact O-CB 3.35Å; V596-E600 WeakPolarHBondContact O-CG 3.49Å; V596-E600 PolarHBondContact O-N 2.87Å
597	A	85.4	Confident	85.4	Confident	28 Å²	28	40.4 Å²	40.4	23%	0.231	20%	0.199	C	C	.	.	H	α-helix	trans	-60.6	-41.3	175.7	0	0	0	0	0	112.4	L593 R599 Y601	L593-A597 WeakPolarHBondContact O-CB 3.4Å; L593-A597 PolarHBondContact O-N 2.83Å; A597-R599 PolarHBondContact O-N 2.78Å; A597-Y601 HydrophobicContact CB-CD2 3.85Å; A597-Y601 HydrophobicContact CB-CE2 3.79Å; A597-Y601 VanDerWaalsContact O-CD2 3.28Å; A597-Y601 WeakPolarHBondContact O-CD2 3.27Å; A597-Y601 PolarHBondContact O-N 2.88Å
598	K	85.3	Confident	86.2	Confident	109 Å²	109	36 Å²	36	47%	0.474	18%	0.182	S	C	.	.	H	α-helix	trans	-59.9	-33.8	176.1	176.4	171.1	-177.9	-172.9	0	112.2	V420 I421 R594 A595 V596 P602	V420-K598 HydrophobicContact CG1-CB 4.13Å; V420-K598 HydrophobicContact CG1-CD 3.71Å; V420-K598 HydrophobicContact CG1-CG 3.64Å; I421-K598 HydrophobicContact CD1-CG 3.95Å; I421-K598 WeakPolarHBondContact CD1-O 3.4Å; R594-K598 WeakPolarHBondContact O-CB 3.45Å; R594-K598 PolarHBondContact O-N 2.88Å; A595-K598 PolarHBondContact O-N 2.89Å; V596-K598 VanDerWaalsContact C-N 3.33Å; V596-K598 PolarHBondContact O-N 3.42Å; K598-P602 WeakPolarHBondContact O-CD 3.36Å; K598-P602 VanDerWaalsContact O-CG 3.3Å; K598-P602 WeakPolarHBondContact O-CG 3.49Å
599	R	85.7	Confident	87.1	Confident	54 Å²	54	35.8 Å²	35.8	20%	0.204	18%	0.179	C	C	.	.	H	α-helix	trans	-88.8	-48.5	-179.4	-158.3	-171.3	77.4	149	-6.7	113.7	L329 D333 A595 V596 A597 P602 K603	L329-R599 PolarHBondContact O-NH1 3.49Å; L329-R599 PolarHBondContact O-NH2 2.87Å; D333-R599 IonicContact OD1-CZ 2.77Å; D333-R599 IonicContact OD1-NH1 2.73Å; D333-R599 PolarHBondContact OD1-NH1 3.05Å; D333-R599 IonicContact OD1-NH2 3.62Å; D333-R599 PolarHBondContact OD1-NH2 2.94Å; D333-R599 IonicContact OD2-CZ 3.76Å; D333-R599 IonicContact OD2-NH1 3.39Å; D333-R599 PolarHBondContact OD2-NH1 3.48Å; A595-R599 PolarHBondContact O-N 3.39Å; A595-R599 VanDerWaalsContact O-N 3.09Å; V596-R599 PolarHBondContact O-N 2.91Å; V596-R599 VanDerWaalsContact O-N 3.13Å; A597-R599 PolarHBondContact O-N 2.78Å; R599-P602 WeakPolarHBondContact O-CD 3.42Å; R599-K603 VanDerWaalsContact O-CB 3.31Å; R599-K603 WeakPolarHBondContact O-CB 3.37Å; R599-K603 PolarHBondContact O-N 2.76Å
600	E	88.3	Confident	88	Confident	24 Å²	24	37.2 Å²	37.2	11%	0.112	19%	0.19	C	C	.	.	H	α-helix	trans	-74.4	-38	-170.2	-61.7	-48	130	0	0	113.1	V596 K603 F604	V596-E600 HydrophobicContact CG1-CG 3.8Å; V596-E600 WeakPolarHBondContact O-CB 3.35Å; V596-E600 WeakPolarHBondContact O-CG 3.49Å; V596-E600 PolarHBondContact O-N 2.87Å; E600-K603 PolarHBondContact O-N 2.8Å; E600-F604 VanDerWaalsContact O-CB 3.29Å; E600-F604 WeakPolarHBondContact O-CB 3.46Å; E600-F604 PolarHBondContact O-N 2.88Å
601	Y	90.1	Very high	88.9	Confident	44 Å²	44	36.7 Å²	36.7	17%	0.173	18%	0.182	C	C	.	.	H	α-helix	trans	-63.9	-45.8	-177.9	-75	-63.4	0	0	0	114.2	L443 Y578 A580 V582 A597 L605	L443-Y601 HydrophobicContact CB-CE2 4.31Å; L443-Y601 HydrophobicContact CD1-CD1 4.25Å; L443-Y601 HydrophobicContact CD1-CD2 4.21Å; L443-Y601 HydrophobicContact CD1-CG 4.05Å; L443-Y601 HydrophobicContact CD2-CD2 4.13Å; L443-Y601 HydrophobicContact CG-CD1 4.5Å; L443-Y601 HydrophobicContact CG-CD2 3.65Å; L443-Y601 HydrophobicContact CG-CE2 3.81Å; L443-Y601 HydrophobicContact CG-CG 4.02Å; Y578-Y601 AromaticContact CE1-CD1 3.74Å; Y578-Y601 HydrophobicContact CE1-CD1 3.74Å; Y578-Y601 AromaticContact CE1-CE1 3.82Å; Y578-Y601 HydrophobicContact CE1-CE1 3.82Å; A580-Y601 HydrophobicContact CB-CE1 3.86Å; V582-Y601 WeakPolarHBondContact CG2-OH 3.38Å; A597-Y601 HydrophobicContact CB-CD2 3.85Å; A597-Y601 HydrophobicContact CB-CE2 3.79Å; A597-Y601 VanDerWaalsContact O-CD2 3.28Å; A597-Y601 WeakPolarHBondContact O-CD2 3.27Å; A597-Y601 PolarHBondContact O-N 2.88Å; Y601-L605 WeakPolarHBondContact O-CB 3.19Å; Y601-L605 WeakPolarHBondContact O-CG 3.48Å; Y601-L605 PolarHBondContact O-N 2.87Å
602	P	90.2	Very high	89.9	Confident	6 Å²	6	35 Å²	35	4%	0.039	17%	0.17	C	C	.	.	H	α-helix	trans	-63.3	-41.1	171.6	-11.7	19.9	0	0	0	112.5	I421 M426 V428 K598 R599 L605 K606	I421-P602 HydrophobicContact CD1-CB 4.44Å; I421-P602 HydrophobicContact CD1-CG 3.5Å; I421-P602 HydrophobicContact CG2-CG 4.36Å; M426-P602 HydrophobicContact CE-CB 3.77Å; M426-P602 HydrophobicContact SD-CB 4.43Å; V428-P602 HydrophobicContact CG2-CG 4.23Å; K598-P602 WeakPolarHBondContact O-CD 3.36Å; K598-P602 VanDerWaalsContact O-CG 3.3Å; K598-P602 WeakPolarHBondContact O-CG 3.49Å; R599-P602 WeakPolarHBondContact O-CD 3.42Å; P602-L605 PolarHBondContact O-N 2.79Å; P602-K606 WeakPolarHBondContact O-CB 3.43Å; P602-K606 PolarHBondContact O-N 2.81Å
603	K	91.1	Very high	91	Very high	48 Å²	48	38.2 Å²	38.2	21%	0.209	19%	0.185	C	C	.	.	H	α-helix	trans	-60.6	-47.3	178.6	-177	-178	172.2	-169.9	0	111.3	D333 E336 R599 E600 R607	D333-K603 IonicContact OD1-NZ 2.79Å; D333-K603 PolarHBondContact OD1-NZ 3.26Å; E336-K603 WeakPolarHBondContact OE2-CE 3.43Å; E336-K603 IonicContact OE2-NZ 3.78Å; E336-K603 PolarHBondContact OE2-NZ 2.83Å; R599-K603 VanDerWaalsContact O-CB 3.31Å; R599-K603 WeakPolarHBondContact O-CB 3.37Å; R599-K603 PolarHBondContact O-N 2.76Å; E600-K603 PolarHBondContact O-N 2.8Å; K603-R607 WeakPolarHBondContact O-CB 3.43Å; K603-R607 PolarHBondContact O-N 2.67Å
604	F	93.9	Very high	91.7	Very high	20 Å²	20	42.9 Å²	42.9	9%	0.088	21%	0.205	C	C	.	.	H	α-helix	trans	-56	-57.4	171.9	151.1	-113.1	0	0	0	111	F461 W470 M552 Y578 E600 K606 R607 F608	F461-F604 HydrophobicContact CD2-CE2 4.42Å; F461-F604 HydrophobicContact CD2-CZ 4.19Å; F461-F604 HydrophobicContact CE2-CE2 4.03Å; F461-F604 AromaticContact CE2-CZ 3.64Å; F461-F604 HydrophobicContact CE2-CZ 3.64Å; W470-F604 HydrophobicContact CE3-CD2 4.18Å; W470-F604 HydrophobicContact CE3-CE2 4.07Å; W470-F604 HydrophobicContact CH2-CE2 4.07Å; W470-F604 AromaticContact CZ3-CD2 3.8Å; W470-F604 HydrophobicContact CZ3-CD2 3.8Å; W470-F604 AromaticContact CZ3-CE2 3.45Å; W470-F604 HydrophobicContact CZ3-CE2 3.45Å; W470-F604 VanDerWaalsContact CZ3-CE2 3.45Å; M552-F604 HydrophobicContact CE-CE1 4.33Å; M552-F604 HydrophobicContact CE-CZ 3.75Å; Y578-F604 HydrophobicContact CD1-CE1 4.46Å; Y578-F604 HydrophobicContact CD2-CE1 4.08Å; Y578-F604 HydrophobicContact CE1-CE1 4.14Å; Y578-F604 AromaticContact CE2-CE1 3.7Å; Y578-F604 HydrophobicContact CE2-CE1 3.7Å; Y578-F604 HydrophobicContact CE2-CZ 4.16Å; Y578-F604 HydrophobicContact CG-CE1 4.43Å; Y578-F604 AromaticContact CZ-CE1 3.74Å; E600-F604 VanDerWaalsContact O-CB 3.29Å; E600-F604 WeakPolarHBondContact O-CB 3.46Å; E600-F604 PolarHBondContact O-N 2.88Å; F604-K606 PolarHBondContact O-N 2.89Å; F604-R607 PolarHBondContact O-N 3.01Å; F604-F608 HydrophobicContact CD2-CB 4.04Å; F604-F608 HydrophobicContact CE2-CB 3.72Å; F604-F608 HydrophobicContact CE2-CD1 4.22Å; F604-F608 AromaticContact CE2-CG 3.96Å; F604-F608 HydrophobicContact CE2-CG 3.96Å; F604-F608 HydrophobicContact CZ-CB 4.5Å; F604-F608 HydrophobicContact CZ-CD1 4.37Å; F604-F608 WeakPolarHBondContact O-CB 2.99Å; F604-F608 PolarHBondContact O-N 3Å
605	L	94.3	Very high	92.3	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-58.3	-48.5	-174.8	-75.6	167.6	0	0	0	111.4	M426 A445 M552 Y578 Y601 P602 F608 T609	M426-L605 HydrophobicContact SD-CB 3.76Å; M426-L605 HydrophobicContact SD-CD1 4.19Å; A445-L605 HydrophobicContact CB-CD1 3.42Å; A445-L605 VanDerWaalsContact CB-CD1 3.42Å; M552-L605 HydrophobicContact CE-CD2 4.39Å; Y578-L605 HydrophobicContact CD1-CD2 4.44Å; Y578-L605 HydrophobicContact CG-CD2 4.1Å; Y601-L605 WeakPolarHBondContact O-CB 3.19Å; Y601-L605 WeakPolarHBondContact O-CG 3.48Å; Y601-L605 PolarHBondContact O-N 2.87Å; P602-L605 PolarHBondContact O-N 2.79Å; L605-F608 PolarHBondContact O-N 3.37Å; L605-T609 WeakPolarHBondContact O-CG2 3.16Å; L605-T609 PolarHBondContact O-N 2.92Å; L605-T609 PolarHBondContact O-OG1 2.76Å
606	K	93.8	Very high	93	Very high	104 Å²	104	43 Å²	43	45%	0.452	20%	0.201	S	C	.	.	H	α-helix	trans	-62.4	-42.9	179.2	-172.5	174.1	-174.7	170.7	0	112.7	E423 M426 P602 F604 S610	E423-K606 IonicContact OE2-NZ 3.82Å; E423-K606 PolarHBondContact OE2-NZ 2.81Å; M426-K606 HydrophobicContact CE-CB 4.45Å; P602-K606 WeakPolarHBondContact O-CB 3.43Å; P602-K606 PolarHBondContact O-N 2.81Å; F604-K606 PolarHBondContact O-N 2.89Å; K606-S610 WeakPolarHBondContact O-CB 3.45Å; K606-S610 PolarHBondContact O-N 2.67Å; K606-S610 PolarHBondContact O-OG 2.93Å
607	R	94.9	Very high	93.6	Very high	73 Å²	73	45 Å²	45	28%	0.275	22%	0.219	S	C	.	.	H	α-helix	trans	-66.1	-46.6	176	-179.8	175.2	178.1	75.9	12.9	111.5	D469 W470 K603 F604 Y611	D469-R607 PolarHBondContact O-NH2 2.98Å; W470-R607 WeakPolarHBondContact O-CD 3.43Å; W470-R607 PolarHBondContact O-NE 3.24Å; K603-R607 WeakPolarHBondContact O-CB 3.43Å; K603-R607 PolarHBondContact O-N 2.67Å; F604-R607 PolarHBondContact O-N 3.01Å; R607-Y611 VanDerWaalsContact O-CB 3.32Å; R607-Y611 WeakPolarHBondContact O-CB 3.45Å; R607-Y611 PolarHBondContact O-N 2.85Å
608	F	97.9	Very high	93.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-68	-44.8	-177.1	175.8	-113.4	0	0	0	112.4	V457 F461 W470 M552 F604 L605 Y611 V612	V457-F608 HydrophobicContact CG1-CE1 3.93Å; V457-F608 WeakPolarHBondContact O-CZ 3.33Å; F461-F608 HydrophobicContact CB-CE1 3.96Å; F461-F608 HydrophobicContact CB-CE2 4.31Å; F461-F608 HydrophobicContact CB-CZ 3.53Å; F461-F608 HydrophobicContact CD2-CD1 4.47Å; F461-F608 HydrophobicContact CD2-CE1 4.07Å; F461-F608 HydrophobicContact CD2-CZ 4.13Å; F461-F608 HydrophobicContact CG-CE1 4.42Å; F461-F608 HydrophobicContact CG-CZ 4.32Å; W470-F608 HydrophobicContact CB-CD2 4.36Å; W470-F608 AromaticContact CD1-CD2 3.99Å; W470-F608 AromaticContact CD2-CD2 3.51Å; W470-F608 HydrophobicContact CD2-CD2 3.51Å; W470-F608 HydrophobicContact CD2-CE2 4.12Å; W470-F608 HydrophobicContact CD2-CG 4.42Å; W470-F608 AromaticContact CE2-CD2 3.6Å; W470-F608 AromaticContact CE2-CE2 3.71Å; W470-F608 HydrophobicContact CE3-CB 4.38Å; W470-F608 AromaticContact CE3-CD2 3.93Å; W470-F608 HydrophobicContact CE3-CD2 3.93Å; W470-F608 HydrophobicContact CE3-CG 4.42Å; W470-F608 AromaticContact CG-CD2 3.75Å; W470-F608 HydrophobicContact CG-CD2 3.75Å; W470-F608 HydrophobicContact CG-CE2 4.36Å; W470-F608 HydrophobicContact CH2-CD2 4.44Å; W470-F608 HydrophobicContact CZ2-CD2 4.06Å; W470-F608 HydrophobicContact CZ2-CE2 4.01Å; W470-F608 HydrophobicContact CZ3-CD2 4.41Å; W470-F608 AromaticContact NE1-CD2 3.88Å; W470-F608 AromaticContact NE1-CE2 3.75Å; M552-F608 HydrophobicContact CE-CD1 4.06Å; M552-F608 HydrophobicContact CE-CE1 3.97Å; F604-F608 HydrophobicContact CD2-CB 4.04Å; F604-F608 HydrophobicContact CE2-CB 3.72Å; F604-F608 HydrophobicContact CE2-CD1 4.22Å; F604-F608 AromaticContact CE2-CG 3.96Å; F604-F608 HydrophobicContact CE2-CG 3.96Å; F604-F608 HydrophobicContact CZ-CB 4.5Å; F604-F608 HydrophobicContact CZ-CD1 4.37Å; F604-F608 WeakPolarHBondContact O-CB 2.99Å; F604-F608 PolarHBondContact O-N 3Å; L605-F608 PolarHBondContact O-N 3.37Å; F608-Y611 WeakPolarHBondContact O-CB 3.5Å; F608-Y611 PolarHBondContact O-N 2.99Å; F608-V612 HydrophobicContact CD2-CG2 4.34Å; F608-V612 HydrophobicContact CE1-CG2 4.2Å; F608-V612 HydrophobicContact CE2-CG2 3.74Å; F608-V612 HydrophobicContact CZ-CG2 3.63Å; F608-V612 WeakPolarHBondContact O-CG2 3.31Å; F608-V612 PolarHBondContact O-N 2.67Å
609	T	96.9	Very high	94.4	Very high	5 Å²	5	46.8 Å²	46.8	3%	0.031	25%	0.25	C	S	.	.	H	α-helix	trans	-69.2	-37.2	-180	57.4	0	0	0	0	112.3	V449 I576 L605 V612 Q613	V449-T609 HydrophobicContact CG2-CG2 3.68Å; I576-T609 HydrophobicContact CD1-CG2 3.62Å; L605-T609 WeakPolarHBondContact O-CG2 3.16Å; L605-T609 PolarHBondContact O-N 2.92Å; L605-T609 PolarHBondContact O-OG1 2.76Å; T609-V612 PolarHBondContact O-N 3.22Å; T609-Q613 WeakPolarHBondContact O-CG 3.09Å; T609-Q613 PolarHBondContact O-N 3.13Å
610	S	96.9	Very high	94.9	Very high	47 Å²	47	49.9 Å²	49.9	33%	0.329	28%	0.277	S	S	.	.	H	α-helix	trans	-60.7	-44.5	170.8	-55.1	0	0	0	0	111.2	K606 V612 Q613 E614	K606-S610 WeakPolarHBondContact O-CB 3.45Å; K606-S610 PolarHBondContact O-N 2.67Å; K606-S610 PolarHBondContact O-OG 2.93Å; S610-V612 PolarHBondContact O-N 2.86Å; S610-Q613 WeakPolarHBondContact O-CB 3.27Å; S610-Q613 PolarHBondContact O-N 3.33Å; S610-E614 WeakPolarHBondContact O-CG 3.05Å; S610-E614 PolarHBondContact O-N 2.85Å
611	Y	97.9	Very high	95.2	Very high	16 Å²	16	50.7 Å²	50.7	6%	0.063	28%	0.282	C	S	.	.	H	α-helix	trans	-59	-43.3	176.1	170.7	-93.4	0	0	0	112.9	Y460 V466 D469 W470 R607 F608 E614 K615	Y460-Y611 AromaticContact CD1-CE1 3.95Å; Y460-Y611 HydrophobicContact CD1-CE1 3.95Å; Y460-Y611 HydrophobicContact CG-CE1 4.42Å; V466-Y611 WeakPolarHBondContact CB-OH 3.34Å; D469-Y611 HydrophobicContact CB-CD2 4.11Å; D469-Y611 HydrophobicContact CB-CE2 3.3Å; D469-Y611 VanDerWaalsContact OD2-CE2 3.29Å; D469-Y611 WeakPolarHBondContact OD2-CE2 3.48Å; D469-Y611 PolarHBondContact OD2-OH 2.6Å; W470-Y611 HydrophobicContact CB-CD1 4.12Å; W470-Y611 HydrophobicContact CB-CD2 4.35Å; W470-Y611 HydrophobicContact CB-CG 3.96Å; W470-Y611 AromaticContact CD1-CD1 3.72Å; W470-Y611 AromaticContact CD1-CE1 3.59Å; W470-Y611 HydrophobicContact CG-CD1 4.21Å; W470-Y611 HydrophobicContact CG-CE1 4.45Å; R607-Y611 VanDerWaalsContact O-CB 3.32Å; R607-Y611 WeakPolarHBondContact O-CB 3.45Å; R607-Y611 PolarHBondContact O-N 2.85Å; F608-Y611 WeakPolarHBondContact O-CB 3.5Å; F608-Y611 PolarHBondContact O-N 2.99Å; Y611-E614 PolarHBondContact O-N 3.3Å; Y611-K615 HydrophobicContact CD1-CG 4.46Å; Y611-K615 HydrophobicContact CD2-CG 4.25Å; Y611-K615 HydrophobicContact CE1-CG 3.99Å; Y611-K615 HydrophobicContact CE2-CD 4.24Å; Y611-K615 VanDerWaalsContact CE2-CE 3.46Å; Y611-K615 HydrophobicContact CE2-CG 3.77Å; Y611-K615 WeakPolarHBondContact O-CG 3.41Å; Y611-K615 PolarHBondContact O-N 2.88Å; Y611-K615 PolarHBondContact OH-NZ 2.86Å
612	V	98.1	Very high	95.4	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65.1	-42.4	175.5	179.4	0	0	0	0	110.9	V452 E456 V457 Y460 F608 T609 S610 E614 K615 T616	V452-V612 HydrophobicContact CB-CG1 4.27Å; V452-V612 HydrophobicContact CG1-CG1 3.89Å; E456-V612 HydrophobicContact CB-CG1 4.32Å; V457-V612 HydrophobicContact CG2-CG1 4.1Å; Y460-V612 HydrophobicContact CD2-CB 4.46Å; Y460-V612 HydrophobicContact CD2-CG1 3.89Å; Y460-V612 HydrophobicContact CD2-CG2 4.13Å; Y460-V612 HydrophobicContact CE2-CG1 4.5Å; Y460-V612 HydrophobicContact CG-CG2 4.19Å; F608-V612 HydrophobicContact CD2-CG2 4.34Å; F608-V612 HydrophobicContact CE1-CG2 4.2Å; F608-V612 HydrophobicContact CE2-CG2 3.74Å; F608-V612 HydrophobicContact CZ-CG2 3.63Å; F608-V612 WeakPolarHBondContact O-CG2 3.31Å; F608-V612 PolarHBondContact O-N 2.67Å; T609-V612 PolarHBondContact O-N 3.22Å; S610-V612 PolarHBondContact O-N 2.86Å; V612-E614 PolarHBondContact O-N 3.03Å; V612-K615 PolarHBondContact O-N 2.62Å; V612-T616 HydrophobicContact CG1-CG2 4.03Å; V612-T616 WeakPolarHBondContact O-CB 3.43Å; V612-T616 WeakPolarHBondContact O-CG2 3.45Å; V612-T616 PolarHBondContact O-N 2.97Å; V612-T616 PolarHBondContact O-OG1 3.3Å
613	Q	97.6	Very high	95.3	Very high	73 Å²	73	56.8 Å²	56.8	34%	0.341	31%	0.312	S	S	.	.	H	α-helix	trans	-58.6	-45.2	173.9	-72.4	177.3	-48.4	0	0	112	V449 K450 V452 T609 S610 T616 A617	V449-Q613 HydrophobicContact CG1-CG 3.9Å; K450-Q613 PolarHBondContact O-NE2 3.39Å; V452-Q613 HydrophobicContact CG1-CB 4.4Å; V452-Q613 HydrophobicContact CG1-CG 3.72Å; T609-Q613 WeakPolarHBondContact O-CG 3.09Å; T609-Q613 PolarHBondContact O-N 3.13Å; S610-Q613 WeakPolarHBondContact O-CB 3.27Å; S610-Q613 PolarHBondContact O-N 3.33Å; Q613-T616 PolarHBondContact O-OG1 3.34Å; Q613-A617 WeakPolarHBondContact O-CB 3.36Å; Q613-A617 PolarHBondContact O-N 2.95Å
614	E	97.4	Very high	95.6	Very high	145 Å²	145	57.2 Å²	57.2	68%	0.678	32%	0.318	S	S	*	.	H	α-helix	trans	-62.8	-44.9	176.8	-73.7	177.5	-173	0	0	113.2	S610 Y611 V612	S610-E614 WeakPolarHBondContact O-CG 3.05Å; S610-E614 PolarHBondContact O-N 2.85Å; Y611-E614 PolarHBondContact O-N 3.3Å; V612-E614 PolarHBondContact O-N 3.03Å
615	K	97.2	Very high	95.6	Very high	76 Å²	76	59.2 Å²	59.2	33%	0.33	33%	0.33	S	S	.	.	H	α-helix	trans	-73.9	-25	-179.2	-67	-58.5	-176.2	79.3	0	113.6	Y460 D469 Y611 V612 N619	Y460-K615 HydrophobicContact CE1-CB 4.1Å; Y460-K615 HydrophobicContact CE1-CG 4.42Å; Y460-K615 HydrophobicContact CE2-CB 4.24Å; D469-K615 IonicContact OD2-NZ 2.67Å; D469-K615 PolarHBondContact OD2-NZ 3.02Å; Y611-K615 HydrophobicContact CD1-CG 4.46Å; Y611-K615 HydrophobicContact CD2-CG 4.25Å; Y611-K615 HydrophobicContact CE1-CG 3.99Å; Y611-K615 HydrophobicContact CE2-CD 4.24Å; Y611-K615 VanDerWaalsContact CE2-CE 3.46Å; Y611-K615 HydrophobicContact CE2-CG 3.77Å; Y611-K615 WeakPolarHBondContact O-CG 3.41Å; Y611-K615 PolarHBondContact O-N 2.88Å; Y611-K615 PolarHBondContact OH-NZ 2.86Å; V612-K615 PolarHBondContact O-N 2.62Å; K615-N619 PolarHBondContact O-ND2 3.02Å
616	T	97	Very high	95.7	Very high	5 Å²	5	62.4 Å²	62.4	3%	0.031	35%	0.348	C	S	.	.	H	α-helix	trans	-90.1	-17	177	57.5	0	0	0	0	113.8	E456 Y460 R569 V612 Q613 G618 N619	E456-T616 HydrophobicContact CB-CG2 3.99Å; E456-T616 HydrophobicContact CG-CG2 4.03Å; Y460-T616 HydrophobicContact CE2-CG2 3.95Å; R569-T616 PolarHBondContact NE-O 3.11Å; R569-T616 PolarHBondContact NH2-O 3.1Å; V612-T616 HydrophobicContact CG1-CG2 4.03Å; V612-T616 WeakPolarHBondContact O-CB 3.43Å; V612-T616 WeakPolarHBondContact O-CG2 3.45Å; V612-T616 PolarHBondContact O-N 2.97Å; V612-T616 PolarHBondContact O-OG1 3.3Å; Q613-T616 PolarHBondContact O-OG1 3.34Å; T616-G618 PolarHBondContact O-N 3.02Å; T616-N619 WeakPolarHBondContact O-CB 3.25Å; T616-N619 PolarHBondContact O-N 2.74Å
617	A	95.7	Very high	95.8	Very high	66 Å²	66	59.9 Å²	59.9	55%	0.545	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	123.6	-178.2	0	0	0	0	0	112.4	Q613 N619	Q613-A617 WeakPolarHBondContact O-CB 3.36Å; Q613-A617 PolarHBondContact O-N 2.95Å; A617-N619 PolarHBondContact O-N 2.97Å
618	G	91.8	Very high	95.9	Very high	84 Å²	84	59.1 Å²	59.1	87%	0.866	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	-8	-177.2	0	0	0	0	0	115.6	T616	T616-G618 PolarHBondContact O-N 3.02Å
619	N	95.3	Very high	95.8	Very high	91 Å²	91	63.1 Å²	63.1	49%	0.487	37%	0.369	S	S	.	.	S	Bend	trans	-86.4	150.7	174.2	-72	-43.9	0	0	0	111.4	R569 K615 T616 A617	R569-N619 PolarHBondContact NE-O 2.9Å; R569-N619 PolarHBondContact NH2-O 2.91Å; K615-N619 PolarHBondContact O-ND2 3.02Å; T616-N619 WeakPolarHBondContact O-CB 3.25Å; T616-N619 PolarHBondContact O-N 2.74Å; A617-N619 PolarHBondContact O-N 2.97Å
620	P	95.8	Very high	95.7	Very high	119 Å²	119	67.2 Å²	67.2	77%	0.773	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-52.4	148	173.6	-25.6	34.8	0	0	0	112.5	R569	R569-P620 PolarHBondContact NH2-O 3.12Å
621	I	95.8	Very high	95.6	Very high	41 Å²	41	68.8 Å²	68.8	21%	0.21	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-78.5	126	-177.9	-54.5	174.2	0	0	0	109.8	T453 I567 R569 I572 F623	T453-I621 HydrophobicContact CG2-CG2 3.53Å; I567-I621 VanDerWaalsContact O-CD1 3.27Å; I567-I621 WeakPolarHBondContact O-CD1 3.24Å; R569-I621 HydrophobicContact CG-CD1 3.96Å; R569-I621 HydrophobicContact CG-CG1 3.88Å; I572-I621 HydrophobicContact CD1-CD1 4.32Å; I572-I621 HydrophobicContact CD1-CG2 3.96Å; I621-F623 HydrophobicContact CB-CE2 4Å; I621-F623 HydrophobicContact CB-CZ 4.35Å; I621-F623 HydrophobicContact CG2-CD1 4.47Å; I621-F623 HydrophobicContact CG2-CD2 4.03Å; I621-F623 HydrophobicContact CG2-CE1 4.1Å; I621-F623 HydrophobicContact CG2-CE2 3.62Å; I621-F623 HydrophobicContact CG2-CG 4.44Å; I621-F623 HydrophobicContact CG2-CZ 3.66Å
622	L	93.7	Very high	95.4	Very high	78 Å²	78	73.2 Å²	73.2	41%	0.408	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-101.3	117.5	174.6	179.4	67.2	0	0	0	109.5	T453 H455 E456	T453-L622 VanDerWaalsContact CB-O 3.31Å; T453-L622 WeakPolarHBondContact CB-O 3.4Å; T453-L622 WeakPolarHBondContact CG2-O 3.46Å; T453-L622 PolarHBondContact OG1-O 2.77Å; H455-L622 HydrophobicContact CB-CG 4.44Å; E456-L622 HydrophobicContact CG-CB 3.97Å; E456-L622 PolarHBondContact OE1-N 3.11Å
623	F	89.3	Confident	95.1	Very high	100 Å²	100	79.8 Å²	79.8	44%	0.439	46%	0.464	S	S	.	.			trans	-97.5	0	-175.7	-71.5	-83.5	0	0	0	113.8	T453 H455 W525 V558 I567 I572 I621	T453-F623 HydrophobicContact CG2-CD1 4.13Å; T453-F623 HydrophobicContact CG2-CE1 4.4Å; H455-F623 PolarHBondContact ND1-O 2.78Å; W525-F623 PolarHBondContact NE1-OXT 3.14Å; W525-F623 VanDerWaalsContact NE1-OXT 3.08Å; V558-F623 HydrophobicContact CG2-CE1 3.97Å; I567-F623 HydrophobicContact CB-CZ 4.39Å; I567-F623 HydrophobicContact CD1-CZ 4.07Å; I567-F623 HydrophobicContact CG2-CZ 4.13Å; I572-F623 HydrophobicContact CG2-CE1 4.45Å; I621-F623 HydrophobicContact CB-CE2 4Å; I621-F623 HydrophobicContact CB-CZ 4.35Å; I621-F623 HydrophobicContact CG2-CD1 4.47Å; I621-F623 HydrophobicContact CG2-CD2 4.03Å; I621-F623 HydrophobicContact CG2-CE1 4.1Å; I621-F623 HydrophobicContact CG2-CE2 3.62Å; I621-F623 HydrophobicContact CG2-CG 4.44Å; I621-F623 HydrophobicContact CG2-CZ 3.66Å

Retrieved 623 of 623 residues in 161.2 ms (Link to these results)

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