A0A087XYK5_POEFO Loading...

NEK6-subfamily protein kinase

AlphaFold DB , UniProt , Accession A0A087XYK5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 303 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	40.8	Very low	36	Very low	236 Å²	236	169.6 Å²	169.6	100%	1.163	88%	0.883	S	S	*	*				0	94.3	0	-76.1	-176.4	-175.6	0	0	105.4
2	D	34.4	Very low	36.2	Very low	154 Å²	154	163.5 Å²	163.5	82%	0.824	88%	0.875	S	S	*	*			trans	-66.5	134.8	-163.1	-58.6	-65.9	0	0	0	112.3
3	M	35.2	Very low	36	Very low	187 Å²	187	156.5 Å²	156.5	92%	0.921	87%	0.866	S	S	*	*			trans	-94.8	103.1	166.9	-89.7	-170.6	-86.9	0	0	107.8	M5	M3-M5 PolarHBondContact O-N 3.24Å
4	D	37.2	Very low	35.9	Very low	153 Å²	153	154.2 Å²	154.2	82%	0.818	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-64.3	117.1	175.8	-82.8	-40.5	0	0	0	111.4
5	M	38.3	Very low	36	Very low	180 Å²	180	151 Å²	151	89%	0.887	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-76.5	118	166.4	-77.8	-106.4	-93	0	0	109.4	M3	M3-M5 PolarHBondContact O-N 3.24Å
6	H	35.9	Very low	36.1	Very low	181 Å²	181	149.9 Å²	149.9	84%	0.838	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-66.1	128.3	168.5	-78.2	-30.8	0	0	0	111.4
7	P	38.3	Very low	36.7	Very low	125 Å²	125	152.6 Å²	152.6	81%	0.812	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-78.1	133.8	168	-5.7	23.4	0	0	0	110.2
8	Q	34.8	Very low	37.6	Very low	192 Å²	192	152.8 Å²	152.8	90%	0.897	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-54.6	142.5	177.8	-69.3	163.4	-20.9	0	0	112.5	Q10	Q8-Q10 PolarHBondContact O-N 3.27Å
9	G	34.2	Very low	38.5	Very low	73 Å²	73	151.2 Å²	151.2	75%	0.753	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-54.7	132.9	178.7	0	0	0	0	0	113.1	Q11	G9-Q11 PolarHBondContact O-N 2.88Å; G9-Q11 VanDerWaalsContact O-N 3.1Å
10	Q	33.8	Very low	40	Very low	199 Å²	199	150.7 Å²	150.7	93%	0.93	83%	0.827	S	S	*	*			trans	-59.1	109.8	166.7	-78.4	169.9	-8.5	0	0	109.1	Q8 A12	Q8-Q10 PolarHBondContact O-N 3.27Å; Q10-A12 PolarHBondContact O-N 3.42Å
11	Q	33.7	Very low	42	Very low	186 Å²	186	147.3 Å²	147.3	87%	0.869	81%	0.805	S	S	*	*			trans	-60.3	121	163.5	-76.4	176.3	-13.1	0	0	108.1	G9 G13	G9-Q11 PolarHBondContact O-N 2.88Å; G9-Q11 VanDerWaalsContact O-N 3.1Å; Q11-G13 PolarHBondContact O-N 3.31Å; Q11-G13 VanDerWaalsContact O-N 3.09Å
12	A	37.7	Very low	44.3	Very low	96 Å²	96	141.1 Å²	141.1	79%	0.793	78%	0.782	S	S	*	*			trans	-56.7	115.3	169.1	0	0	0	0	0	108.4	Q10 V14	Q10-A12 PolarHBondContact O-N 3.42Å; A12-V14 PolarHBondContact O-N 2.84Å
13	G	33.6	Very low	47.1	Very low	73 Å²	73	137.9 Å²	137.9	75%	0.753	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-55.1	127.3	-178.2	0	0	0	0	0	111.4	Q11	Q11-G13 PolarHBondContact O-N 3.31Å; Q11-G13 VanDerWaalsContact O-N 3.09Å
14	V	34.5	Very low	50	Low	124 Å²	124	132.1 Å²	132.1	75%	0.752	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-56.5	133.9	164.9	-177.1	0	0	0	0	107.4	A12 V16	A12-V14 PolarHBondContact O-N 2.84Å; V14-V16 PolarHBondContact O-N 3.22Å
15	P	38.2	Very low	52.6	Low	106 Å²	106	128.6 Å²	128.6	69%	0.688	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-59.2	118	174.3	-10.9	21.6	0	0	0	108.4	F17	P15-F17 PolarHBondContact O-N 3.08Å
16	V	37.5	Very low	55.3	Low	134 Å²	134	126.7 Å²	126.7	81%	0.812	71%	0.714	S	S	*	*			trans	-61.5	111.8	171	178.8	0	0	0	0	106.5	V14 Q18	V14-V16 PolarHBondContact O-N 3.22Å; V16-Q18 PolarHBondContact O-N 3.35Å
17	F	45.7	Very low	58.2	Low	196 Å²	196	122.4 Å²	122.4	86%	0.86	70%	0.695	S	S	*	*			trans	-60.6	105.6	170.7	-92.1	-94.5	0	0	0	107.5	P15	P15-F17 PolarHBondContact O-N 3.08Å
18	Q	53.9	Low	60.9	Low	155 Å²	155	117.4 Å²	117.4	72%	0.724	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-58.2	136.9	167.7	-71	179.1	-8.2	0	0	108	V16 Q20	V16-Q18 PolarHBondContact O-N 3.35Å; Q18-Q20 PolarHBondContact O-N 3.16Å
19	P	54.8	Low	63.9	Low	122 Å²	122	110.4 Å²	110.4	79%	0.792	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-56	128	176.1	21.1	-29.8	0	0	0	109.2	K21	P19-K21 PolarHBondContact O-N 2.98Å; P19-K21 VanDerWaalsContact O-N 3.12Å
20	Q	67.7	Low	66.8	Low	141 Å²	141	110.8 Å²	110.8	66%	0.659	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-59	119	179.6	-88.8	178.9	-35.9	0	0	109.1	Q18	Q18-Q20 PolarHBondContact O-N 3.16Å
21	K	81.7	Confident	69.8	Low	81 Å²	81	101.4 Å²	101.4	35%	0.352	57%	0.573	S	S	.	*	P	Polyproline II helix	trans	-52.9	142	168.6	-71.2	171.1	176.3	167.2	0	108.3	P19 A33 E104 D105	P19-K21 PolarHBondContact O-N 2.98Å; P19-K21 VanDerWaalsContact O-N 3.12Å; K21-A33 HydrophobicContact CB-CB 3.72Å; K21-E104 IonicContact NZ-OE1 2.84Å; K21-E104 PolarHBondContact NZ-OE1 3.43Å; K21-D105 IonicContact NZ-OD1 2.82Å; K21-D105 PolarHBondContact NZ-OD1 3.2Å; K21-D105 IonicContact NZ-OD2 2.91Å; K21-D105 PolarHBondContact NZ-OD2 2.65Å
22	P	90.1	Very high	72.7	Confident	106 Å²	106	93.6 Å²	93.6	69%	0.688	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-58.9	142	177.5	24.6	-33.1	0	0	0	110.5	A33	P22-A33 WeakPolarHBondContact O-CB 3.18Å
23	L	92.9	Very high	75.5	Confident	86 Å²	86	89.5 Å²	89.5	45%	0.45	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-56.5	139.9	-178.9	-166	73.7	0	0	0	111.2	P25 N34 L55 L56	L23-P25 HydrophobicContact CD2-CG 4.27Å; L23-P25 HydrophobicContact CG-CG 4.36Å; L23-N34 HydrophobicContact CD1-CB 4.39Å; L23-N34 WeakPolarHBondContact CD1-OD1 3.35Å; L23-L55 HydrophobicContact CD1-CB 3.88Å; L23-L55 HydrophobicContact CD1-CD1 3.97Å; L23-L56 HydrophobicContact CD1-CD2 4.11Å; L23-L56 HydrophobicContact CD2-CD2 3.79Å; L23-L56 HydrophobicContact CG-CD2 4.07Å
24	Q	94.9	Very high	78.5	Confident	65 Å²	65	86 Å²	86	30%	0.304	47%	0.468	S	S	.	.			trans	-125.1	74.7	-177.8	-67.3	176.7	1.9	0	0	111.1	D26 M27 S31 A33 N34	Q24-D26 VanDerWaalsContact C-OD1 3.3Å; Q24-D26 PolarHBondContact O-N 2.83Å; Q24-D26 VanDerWaalsContact O-N 3.16Å; Q24-M27 HydrophobicContact CB-CB 4.29Å; Q24-M27 HydrophobicContact CB-CG 4.19Å; Q24-M27 PolarHBondContact O-N 3.44Å; Q24-M27 VanDerWaalsContact O-N 3.08Å; Q24-S31 PolarHBondContact OE1-OG 3.1Å; Q24-A33 HydrophobicContact CG-CB 4.35Å; Q24-N34 PolarHBondContact N-OD1 2.81Å; Q24-N34 PolarHBondContact O-ND2 3.32Å; Q24-N34 PolarHBondContact O-OD1 2.83Å
25	P	93.3	Very high	81.5	Confident	79 Å²	79	80.6 Å²	80.6	51%	0.513	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-58.7	-32.4	-170.7	-24.8	34.8	0	0	0	114.6	L23 M27 G28 L56	L23-P25 HydrophobicContact CD2-CG 4.27Å; L23-P25 HydrophobicContact CG-CG 4.36Å; P25-M27 VanDerWaalsContact C-N 3.26Å; P25-M27 PolarHBondContact O-N 2.83Å; P25-G28 PolarHBondContact O-N 2.88Å; P25-L56 HydrophobicContact CB-CD1 4.23Å; P25-L56 HydrophobicContact CB-CD2 4.17Å; P25-L56 HydrophobicContact CG-CD2 4.33Å
26	D	95.3	Very high	84.4	Confident	140 Å²	140	79.6 Å²	79.6	75%	0.749	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-62.3	-28.7	178.3	60.7	-44.2	0	0	0	113.4	Q24 G28	Q24-D26 VanDerWaalsContact C-OD1 3.3Å; Q24-D26 PolarHBondContact O-N 2.83Å; Q24-D26 VanDerWaalsContact O-N 3.16Å; D26-G28 VanDerWaalsContact C-N 3.33Å
27	M	95.4	Very high	87.2	Confident	91 Å²	91	76.6 Å²	76.6	45%	0.448	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-80.3	-11.5	178.7	-69.8	-67.5	-148.3	0	0	113.8	Q24 P25 Y29 N30	Q24-M27 HydrophobicContact CB-CB 4.29Å; Q24-M27 HydrophobicContact CB-CG 4.19Å; Q24-M27 PolarHBondContact O-N 3.44Å; Q24-M27 VanDerWaalsContact O-N 3.08Å; P25-M27 VanDerWaalsContact C-N 3.26Å; P25-M27 PolarHBondContact O-N 2.83Å; M27-Y29 PolarHBondContact O-N 3.32Å; M27-N30 VanDerWaalsContact O-CB 3.31Å; M27-N30 WeakPolarHBondContact O-CB 3.21Å; M27-N30 PolarHBondContact O-N 2.79Å; M27-N30 PolarHBondContact O-ND2 3.28Å
28	G	95.9	Very high	89.6	Confident	20 Å²	20	70.6 Å²	70.6	21%	0.206	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	-128.9	-180	0	0	0	0	0	112.4	P25 D26 N30 N34 Y54	P25-G28 PolarHBondContact O-N 2.88Å; D26-G28 VanDerWaalsContact C-N 3.33Å; G28-N30 PolarHBondContact O-N 3.03Å; G28-N34 PolarHBondContact O-ND2 3.12Å; G28-Y54 WeakPolarHBondContact CA-OH 3.48Å; G28-Y54 WeakPolarHBondContact O-CE2 3Å; G28-Y54 PolarHBondContact O-OH 2.8Å
29	Y	96.3	Very high	91.5	Very high	45 Å²	45	70.2 Å²	70.2	18%	0.176	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	1.7	176.3	-76.2	-87.8	0	0	0	114.1	M27 F35 Y54 V61 H99 A100 F102 V111	M27-Y29 PolarHBondContact O-N 3.32Å; Y29-F35 AromaticContact CD1-CE1 3.84Å; Y29-F35 HydrophobicContact CD1-CE1 3.84Å; Y29-F35 AromaticContact CD1-CZ 3.67Å; Y29-F35 HydrophobicContact CD1-CZ 3.67Å; Y29-F35 HydrophobicContact CE1-CE1 4.29Å; Y29-F35 HydrophobicContact CG-CZ 4.36Å; Y29-Y54 HydrophobicContact CD1-CD1 4.18Å; Y29-Y54 HydrophobicContact CD1-CD2 4.11Å; Y29-Y54 HydrophobicContact CD1-CE1 4.31Å; Y29-Y54 HydrophobicContact CD1-CE2 4.23Å; Y29-Y54 HydrophobicContact CD1-CG 4.09Å; Y29-Y54 HydrophobicContact CD2-CE1 4.03Å; Y29-Y54 AromaticContact CE1-CD1 3.48Å; Y29-Y54 HydrophobicContact CE1-CD1 3.48Å; Y29-Y54 VanDerWaalsContact CE1-CD1 3.48Å; Y29-Y54 HydrophobicContact CE1-CD2 4.12Å; Y29-Y54 AromaticContact CE1-CE1 3.9Å; Y29-Y54 HydrophobicContact CE1-CE1 3.9Å; Y29-Y54 HydrophobicContact CE1-CE2 4.47Å; Y29-Y54 AromaticContact CE1-CG 3.62Å; Y29-Y54 HydrophobicContact CE1-CG 3.62Å; Y29-Y54 AromaticContact CE2-CD1 3.97Å; Y29-Y54 HydrophobicContact CE2-CD1 3.97Å; Y29-Y54 AromaticContact CE2-CE1 3.61Å; Y29-Y54 HydrophobicContact CE2-CE1 3.61Å; Y29-Y54 HydrophobicContact CG-CE1 4.37Å; Y29-Y54 HydrophobicContact CG-CE2 4.33Å; Y29-Y54 AromaticContact CZ-CD1 3.36Å; Y29-Y54 AromaticContact CZ-CE1 3.53Å; Y29-Y54 WeakPolarHBondContact OH-CD1 3.11Å; Y29-V61 HydrophobicContact CE1-CG1 4.1Å; Y29-H99 HydrophobicContact CD1-CB 3.93Å; Y29-H99 HydrophobicContact CE1-CB 4.17Å; Y29-H99 AromaticContact CE1-ND1 3.99Å; Y29-H99 HydrophobicContact CG-CB 4.14Å; Y29-H99 AromaticContact CZ-ND1 3.71Å; Y29-A100 VanDerWaalsContact CB-CB 3.5Å; Y29-A100 WeakPolarHBondContact O-CB 3.43Å; Y29-F102 WeakPolarHBondContact O-CE1 3.35Å; Y29-V111 HydrophobicContact CD1-CG1 3.93Å; Y29-V111 HydrophobicContact CE1-CG1 4.41Å
30	N	96.3	Very high	93.4	Very high	81 Å²	81	68.3 Å²	68.3	43%	0.433	35%	0.349	S	S	.	.	S	Bend	trans	-98.8	21.2	-170.9	-56.2	-74.3	0	0	0	115.2	M27 G28 F102	M27-N30 VanDerWaalsContact O-CB 3.31Å; M27-N30 WeakPolarHBondContact O-CB 3.21Å; M27-N30 PolarHBondContact O-N 2.79Å; M27-N30 PolarHBondContact O-ND2 3.28Å; G28-N30 PolarHBondContact O-N 3.03Å; N30-F102 HydrophobicContact CB-CB 4.4Å; N30-F102 HydrophobicContact CB-CD1 4.37Å; N30-F102 HydrophobicContact CB-CG 4.49Å; N30-F102 WeakPolarHBondContact O-CD2 3.26Å; N30-F102 WeakPolarHBondContact O-CG 3.39Å
31	S	96.1	Very high	94.5	Very high	3 Å²	3	65.6 Å²	65.6	2%	0.021	34%	0.338	C	S	.	.			trans	-146.3	131.3	178.4	175.6	0	0	0	0	110.8	Q24 A33 N34 F35	Q24-S31 PolarHBondContact OE1-OG 3.1Å; S31-A33 PolarHBondContact O-N 2.74Å; S31-A33 PolarHBondContact OG-N 3.24Å; S31-N34 PolarHBondContact O-N 3.19Å; S31-N34 VanDerWaalsContact O-N 3.1Å; S31-F35 WeakPolarHBondContact O-CD2 3.11Å; S31-F35 VanDerWaalsContact O-CE2 3.23Å; S31-F35 WeakPolarHBondContact O-CE2 3.48Å
32	L	96.1	Very high	94.6	Very high	21 Å²	21	63 Å²	63	11%	0.11	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-61.1	-26.5	177.1	-76.5	179.1	0	0	0	112.1	N34 F35 L63 F102 E104	L32-N34 PolarHBondContact O-N 2.94Å; L32-N34 VanDerWaalsContact O-N 3.12Å; L32-F35 PolarHBondContact O-N 3.19Å; L32-L63 HydrophobicContact CD2-CD1 4.18Å; L32-L63 HydrophobicContact CD2-CD2 3.64Å; L32-F102 HydrophobicContact CD2-CE2 4.33Å; L32-F102 HydrophobicContact CD2-CZ 4.07Å; L32-F102 HydrophobicContact CG-CE2 3.87Å; L32-F102 HydrophobicContact CG-CZ 4.09Å; L32-E104 WeakPolarHBondContact CB-OE2 3.05Å; L32-E104 HydrophobicContact CD1-CB 4.32Å; L32-E104 HydrophobicContact CD1-CG 4.34Å; L32-E104 PolarHBondContact N-OE2 3.12Å
33	A	96.1	Very high	94.3	Very high	10 Å²	10	67.5 Å²	67.5	8%	0.083	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-58.8	-23.7	176	0	0	0	0	0	113.1	K21 P22 Q24 S31 F35	K21-A33 HydrophobicContact CB-CB 3.72Å; P22-A33 WeakPolarHBondContact O-CB 3.18Å; Q24-A33 HydrophobicContact CG-CB 4.35Å; S31-A33 PolarHBondContact O-N 2.74Å; S31-A33 PolarHBondContact OG-N 3.24Å; A33-F35 VanDerWaalsContact C-N 3.31Å
34	N	97.1	Very high	93.1	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-88.8	6.6	178.8	-63	-20.7	0	0	0	113.9	L23 Q24 G28 S31 L32 Y54 L55	L23-N34 HydrophobicContact CD1-CB 4.39Å; L23-N34 WeakPolarHBondContact CD1-OD1 3.35Å; Q24-N34 PolarHBondContact N-OD1 2.81Å; Q24-N34 PolarHBondContact O-ND2 3.32Å; Q24-N34 PolarHBondContact O-OD1 2.83Å; G28-N34 PolarHBondContact O-ND2 3.12Å; S31-N34 PolarHBondContact O-N 3.19Å; S31-N34 VanDerWaalsContact O-N 3.1Å; L32-N34 PolarHBondContact O-N 2.94Å; L32-N34 VanDerWaalsContact O-N 3.12Å; N34-Y54 HydrophobicContact CB-CD2 4.21Å; N34-Y54 HydrophobicContact CB-CE2 3.81Å; N34-Y54 WeakPolarHBondContact O-CD2 3.31Å; N34-L55 WeakPolarHBondContact O-CB 3.5Å; N34-L55 PolarHBondContact O-N 3.45Å
35	F	97.4	Very high	91.8	Very high	10 Å²	10	67.5 Å²	67.5	4%	0.044	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	135.9	180	-58.8	-88.6	0	0	0	111.8	Y29 S31 L32 A33 A52 R53 Y54 V61 F102 V111	Y29-F35 AromaticContact CD1-CE1 3.84Å; Y29-F35 HydrophobicContact CD1-CE1 3.84Å; Y29-F35 AromaticContact CD1-CZ 3.67Å; Y29-F35 HydrophobicContact CD1-CZ 3.67Å; Y29-F35 HydrophobicContact CE1-CE1 4.29Å; Y29-F35 HydrophobicContact CG-CZ 4.36Å; S31-F35 WeakPolarHBondContact O-CD2 3.11Å; S31-F35 VanDerWaalsContact O-CE2 3.23Å; S31-F35 WeakPolarHBondContact O-CE2 3.48Å; L32-F35 PolarHBondContact O-N 3.19Å; A33-F35 VanDerWaalsContact C-N 3.31Å; F35-A52 HydrophobicContact CB-CB 4.39Å; F35-R53 CarbonylContact C-O 3.59Å; F35-R53 VanDerWaalsContact CA-O 3.31Å; F35-R53 WeakPolarHBondContact CA-O 3.12Å; F35-Y54 AromaticContact CD1-CD2 3.97Å; F35-Y54 HydrophobicContact CD1-CD2 3.97Å; F35-Y54 HydrophobicContact CD1-CG 4.46Å; F35-Y54 AromaticContact CE1-CD2 3.5Å; F35-Y54 HydrophobicContact CE1-CD2 3.5Å; F35-Y54 HydrophobicContact CE1-CE2 4.4Å; F35-Y54 AromaticContact CE1-CG 3.99Å; F35-Y54 HydrophobicContact CE1-CG 3.99Å; F35-Y54 HydrophobicContact CE2-CD2 4.42Å; F35-Y54 AromaticContact CZ-CD2 3.77Å; F35-Y54 HydrophobicContact CZ-CD2 3.77Å; F35-Y54 HydrophobicContact CZ-CE2 4.24Å; F35-V61 HydrophobicContact CD1-CG2 3.86Å; F35-V61 HydrophobicContact CE1-CG2 3.87Å; F35-F102 HydrophobicContact CE2-CE1 4.46Å; F35-F102 HydrophobicContact CE2-CZ 4.37Å; F35-V111 HydrophobicContact CE1-CG1 3.91Å; F35-V111 HydrophobicContact CE1-CG2 4.35Å; F35-V111 HydrophobicContact CE2-CG2 4.28Å; F35-V111 HydrophobicContact CZ-CG1 4.06Å; F35-V111 HydrophobicContact CZ-CG2 3.79Å
36	Q	97.3	Very high	90.8	Very high	85 Å²	85	66 Å²	66	40%	0.397	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	109.1	163	179.9	178.5	29.8	0	0	108.7	E38 A52 R53 L55	Q36-E38 PolarHBondContact O-N 3.14Å; Q36-A52 CarbonylContact O-C 3.58Å; Q36-A52 VanDerWaalsContact O-CA 3.23Å; Q36-A52 WeakPolarHBondContact O-CA 3.41Å; Q36-A52 WeakPolarHBondContact O-CB 3.39Å; Q36-R53 HydrophobicContact CB-CB 4.43Å; Q36-R53 PolarHBondContact N-O 3.43Å; Q36-R53 PolarHBondContact O-N 2.77Å; Q36-L55 HydrophobicContact CB-CD2 3.86Å; Q36-L55 HydrophobicContact CB-CG 4.38Å
37	I	96.5	Very high	90.2	Very high	72 Å²	72	60.1 Å²	60.1	37%	0.369	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	120.6	175.9	-58.1	178.1	0	0	0	108.4	Y50 L63	I37-Y50 HydrophobicContact CG2-CD1 3.57Å; I37-Y50 HydrophobicContact CG2-CE1 4.34Å; I37-Y50 HydrophobicContact CG2-CG 3.88Å; I37-L63 HydrophobicContact CD1-CD2 3.96Å; I37-L63 HydrophobicContact CG1-CD2 4.07Å
38	E	95.9	Very high	90	Very high	70 Å²	70	58.4 Å²	58.4	33%	0.327	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-60.7	-174.2	-61.8	-177.8	154.6	0	0	111.2	Q36 R51 R53	Q36-E38 PolarHBondContact O-N 3.14Å; E38-R51 HydrophobicContact CB-CG 4.49Å; E38-R51 PolarHBondContact N-O 3.4Å; E38-R51 WeakPolarHBondContact OE2-CD 3.38Å; E38-R51 WeakPolarHBondContact OE2-CG 3.5Å; E38-R51 IonicContact OE2-CZ 2.8Å; E38-R51 IonicContact OE2-NE 2.87Å; E38-R51 PolarHBondContact OE2-NE 2.85Å; E38-R53 IonicContact OE1-CZ 3.56Å; E38-R53 IonicContact OE1-NE 3.2Å; E38-R53 PolarHBondContact OE1-NE 2.82Å; E38-R53 IonicContact OE1-NH2 2.98Å; E38-R53 PolarHBondContact OE1-NH2 2.69Å
39	K	95	Very high	89.8	Confident	146 Å²	146	59 Å²	59	64%	0.635	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.1	140.6	-171.7	-179.9	179.5	175.6	-177.6	0	111.5	I41 Y50 R51	K39-I41 PolarHBondContact O-N 2.83Å; K39-Y50 CarbonylContact O-C 3.55Å; K39-Y50 WeakPolarHBondContact O-CA 3.16Å; K39-R51 PolarHBondContact N-O 2.85Å; K39-R51 PolarHBondContact O-N 2.87Å
40	K	95.1	Very high	89.7	Confident	82 Å²	82	59.2 Å²	59.2	36%	0.357	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	121	167.2	-170.5	169.5	-178.2	164.4	0	110.6	E48 Y50	K40-E48 WeakPolarHBondContact CE-OE2 3.47Å; K40-E48 IonicContact NZ-OE1 3.8Å; K40-E48 PolarHBondContact NZ-OE1 3.22Å; K40-E48 IonicContact NZ-OE2 2.78Å; K40-E48 PolarHBondContact NZ-OE2 3.12Å; K40-Y50 HydrophobicContact CB-CD1 3.91Å; K40-Y50 HydrophobicContact CB-CE1 3.84Å; K40-Y50 HydrophobicContact CD-CE1 4.32Å; K40-Y50 HydrophobicContact CG-CD1 4.4Å; K40-Y50 HydrophobicContact CG-CE1 4.15Å
41	I	90.7	Very high	89.7	Confident	85 Å²	85	59 Å²	59	44%	0.436	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	-15.2	-177.4	61.8	176.6	0	0	0	113.2	K39 V49 R51 A62 L114	K39-I41 PolarHBondContact O-N 2.83Å; I41-V49 HydrophobicContact CD1-CG1 3.91Å; I41-V49 HydrophobicContact CG1-CB 4.15Å; I41-V49 HydrophobicContact CG1-CG1 3.77Å; I41-V49 WeakPolarHBondContact CG1-O 3.23Å; I41-V49 PolarHBondContact N-O 3.39Å; I41-R51 HydrophobicContact CD1-CB 4.36Å; I41-R51 HydrophobicContact CG2-CB 3.76Å; I41-A62 HydrophobicContact CD1-CB 4.43Å; I41-L114 HydrophobicContact CD1-CD1 3.78Å
42	G	84.2	Confident	89.8	Confident	25 Å²	25	58.9 Å²	58.9	26%	0.258	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	151.6	176.8	0	0	0	0	0	112.5	V49	G42-V49 PolarHBondContact N-O 2.97Å; G42-V49 PolarHBondContact O-N 2.84Å
43	R	82.1	Confident	89.9	Confident	201 Å²	201	62 Å²	62	76%	0.758	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.5	111.9	169.5	-171.3	-178.3	-174.4	-168.5	-1.8	107.7	E48	R43-E48 IonicContact NE-OE1 3.26Å
44	G	69.3	Low	90	Very high	37 Å²	37	62.1 Å²	62.1	38%	0.381	29%	0.292	S	S	.	.			trans	-88.9	177.8	164.9	0	0	0	0	0	110.6	F46 S47	G44-F46 PolarHBondContact O-N 2.84Å; G44-S47 WeakPolarHBondContact CA-O 3.36Å; G44-S47 PolarHBondContact N-O 2.91Å
45	Q	66.7	Low	90	Very high	114 Å²	114	64.7 Å²	64.7	53%	0.533	31%	0.306	S	S	.	.	S	Bend	trans	-61.1	-33.1	175.7	-172.8	177.5	4.8	0	0	112.6
46	F	72	Confident	89.9	Confident	49 Å²	49	67.5 Å²	67.5	22%	0.215	32%	0.321	C	S	.	.	S	Bend	trans	-127.9	4.8	-170.3	-55.5	-63.6	0	0	0	113.8	G44 L71 F187	G44-F46 PolarHBondContact O-N 2.84Å; F46-L71 HydrophobicContact CB-CD1 3.71Å; F46-L71 HydrophobicContact CD1-CD1 3.7Å; F46-L71 HydrophobicContact CD1-CD2 3.87Å; F46-L71 HydrophobicContact CD1-CG 4.4Å; F46-L71 HydrophobicContact CE1-CD2 4.27Å; F46-L71 HydrophobicContact CG-CD1 4.11Å; F46-F187 HydrophobicContact CB-CB 3.69Å; F46-F187 HydrophobicContact CB-CD1 4.49Å; F46-F187 HydrophobicContact CB-CD2 4.4Å; F46-F187 HydrophobicContact CB-CG 3.96Å; F46-F187 HydrophobicContact CD1-CB 4.25Å; F46-F187 HydrophobicContact CD2-CB 3.37Å; F46-F187 HydrophobicContact CD2-CG 4.34Å; F46-F187 WeakPolarHBondContact CE1-O 3.35Å; F46-F187 HydrophobicContact CE2-CB 4Å; F46-F187 WeakPolarHBondContact CE2-O 3.31Å; F46-F187 HydrophobicContact CG-CB 3.5Å; F46-F187 HydrophobicContact CG-CG 4.32Å; F46-F187 WeakPolarHBondContact CZ-O 3.38Å
47	S	82.9	Confident	89.8	Confident	16 Å²	16	67.5 Å²	67.5	11%	0.112	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	149.9	-174.7	65.1	0	0	0	0	111.4	G44 K64 K65	G44-S47 WeakPolarHBondContact CA-O 3.36Å; G44-S47 PolarHBondContact N-O 2.91Å; S47-K64 VanDerWaalsContact OG-CE 3.26Å; S47-K64 WeakPolarHBondContact OG-CE 3.47Å; S47-K65 CarbonylContact C-O 3.59Å; S47-K65 WeakPolarHBondContact CA-O 2.9Å; S47-K65 WeakPolarHBondContact CB-O 3.37Å
48	E	90.3	Very high	89.8	Confident	55 Å²	55	68.9 Å²	68.9	26%	0.257	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	136	173.9	-52	-154.6	139.8	0	0	108.8	K40 R43 Y50 K64 K65	K40-E48 WeakPolarHBondContact CE-OE2 3.47Å; K40-E48 IonicContact NZ-OE1 3.8Å; K40-E48 PolarHBondContact NZ-OE1 3.22Å; K40-E48 IonicContact NZ-OE2 2.78Å; K40-E48 PolarHBondContact NZ-OE2 3.12Å; R43-E48 IonicContact NE-OE1 3.26Å; E48-Y50 HydrophobicContact CB-CD2 4.44Å; E48-Y50 HydrophobicContact CB-CE2 3.62Å; E48-Y50 PolarHBondContact OE2-OH 3.14Å; E48-K64 CarbonylContact O-C 3.3Å; E48-K64 WeakPolarHBondContact O-CA 3.45Å; E48-K65 PolarHBondContact N-O 2.96Å; E48-K65 PolarHBondContact O-N 3.35Å
49	V	91.9	Very high	89.9	Confident	32 Å²	32	68 Å²	68	19%	0.194	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	128	-179	-170.3	0	0	0	0	108.6	I41 G42 A62 L63 K64	I41-V49 HydrophobicContact CD1-CG1 3.91Å; I41-V49 HydrophobicContact CG1-CB 4.15Å; I41-V49 HydrophobicContact CG1-CG1 3.77Å; I41-V49 WeakPolarHBondContact CG1-O 3.23Å; I41-V49 PolarHBondContact N-O 3.39Å; G42-V49 PolarHBondContact N-O 2.97Å; G42-V49 PolarHBondContact O-N 2.84Å; V49-A62 HydrophobicContact CG1-CB 4.22Å; V49-L63 WeakPolarHBondContact CA-O 3.23Å; V49-K64 HydrophobicContact CG2-CB 4.25Å; V49-K64 HydrophobicContact CG2-CD 4.31Å; V49-K64 HydrophobicContact CG2-CG 4.01Å
50	Y	95.6	Very high	90	Very high	49 Å²	49	63.2 Å²	63.2	19%	0.192	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	141.4	179	-61	-99	0	0	0	110.2	I37 K39 K40 E48 A62 L63 K65	I37-Y50 HydrophobicContact CG2-CD1 3.57Å; I37-Y50 HydrophobicContact CG2-CE1 4.34Å; I37-Y50 HydrophobicContact CG2-CG 3.88Å; K39-Y50 CarbonylContact O-C 3.55Å; K39-Y50 WeakPolarHBondContact O-CA 3.16Å; K40-Y50 HydrophobicContact CB-CD1 3.91Å; K40-Y50 HydrophobicContact CB-CE1 3.84Å; K40-Y50 HydrophobicContact CD-CE1 4.32Å; K40-Y50 HydrophobicContact CG-CD1 4.4Å; K40-Y50 HydrophobicContact CG-CE1 4.15Å; E48-Y50 HydrophobicContact CB-CD2 4.44Å; E48-Y50 HydrophobicContact CB-CE2 3.62Å; E48-Y50 PolarHBondContact OE2-OH 3.14Å; Y50-A62 CarbonylContact O-C 3.45Å; Y50-A62 WeakPolarHBondContact O-CA 3.4Å; Y50-L63 PolarHBondContact N-O 3.14Å; Y50-L63 PolarHBondContact O-N 3.28Å; Y50-K65 HydrophobicContact CD2-CD 4.04Å; Y50-K65 HydrophobicContact CD2-CG 4.34Å; Y50-K65 HydrophobicContact CE2-CD 3.74Å; Y50-K65 HydrophobicContact CE2-CG 4.31Å
51	R	96.6	Very high	90.1	Very high	77 Å²	77	59.3 Å²	59.3	29%	0.291	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	129.9	156.3	176.8	177.7	173.6	134.7	8	107.6	E38 K39 I41 L114 D116	E38-R51 HydrophobicContact CB-CG 4.49Å; E38-R51 PolarHBondContact N-O 3.4Å; E38-R51 WeakPolarHBondContact OE2-CD 3.38Å; E38-R51 WeakPolarHBondContact OE2-CG 3.5Å; E38-R51 IonicContact OE2-CZ 2.8Å; E38-R51 IonicContact OE2-NE 2.87Å; E38-R51 PolarHBondContact OE2-NE 2.85Å; K39-R51 PolarHBondContact N-O 2.85Å; K39-R51 PolarHBondContact O-N 2.87Å; I41-R51 HydrophobicContact CD1-CB 4.36Å; I41-R51 HydrophobicContact CG2-CB 3.76Å; R51-L114 HydrophobicContact CG-CD2 3.98Å; R51-D116 IonicContact NH1-OD2 3.62Å; R51-D116 PolarHBondContact NH1-OD2 3.44Å
52	A	97.6	Very high	90.3	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	158.6	175.6	0	0	0	0	0	110.4	F35 Q36 V61 L63	F35-A52 HydrophobicContact CB-CB 4.39Å; Q36-A52 CarbonylContact O-C 3.58Å; Q36-A52 VanDerWaalsContact O-CA 3.23Å; Q36-A52 WeakPolarHBondContact O-CA 3.41Å; Q36-A52 WeakPolarHBondContact O-CB 3.39Å; A52-V61 HydrophobicContact CB-CG2 4.07Å; A52-V61 PolarHBondContact N-O 3.16Å; A52-V61 WeakPolarHBondContact O-CG2 3.49Å; A52-V61 PolarHBondContact O-N 3.49Å; A52-L63 HydrophobicContact CB-CB 4.31Å
53	R	97.9	Very high	90.9	Very high	86 Å²	86	54.5 Å²	54.5	33%	0.325	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	124.5	172.5	-174.8	179.2	-53.9	-139.6	-2.4	109.4	F35 Q36 E38 L55	F35-R53 CarbonylContact C-O 3.59Å; F35-R53 VanDerWaalsContact CA-O 3.31Å; F35-R53 WeakPolarHBondContact CA-O 3.12Å; Q36-R53 HydrophobicContact CB-CB 4.43Å; Q36-R53 PolarHBondContact N-O 3.43Å; Q36-R53 PolarHBondContact O-N 2.77Å; E38-R53 IonicContact OE1-CZ 3.56Å; E38-R53 IonicContact OE1-NE 3.2Å; E38-R53 PolarHBondContact OE1-NE 2.82Å; E38-R53 IonicContact OE1-NH2 2.98Å; E38-R53 PolarHBondContact OE1-NH2 2.69Å; R53-L55 PolarHBondContact O-N 3Å
54	Y	97.9	Very high	91.4	Very high	13 Å²	13	45.9 Å²	45.9	5%	0.051	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	118	170.3	-177.5	-133.7	0	0	0	109.2	G28 Y29 N34 F35 L56 D57 N58 T59	G28-Y54 WeakPolarHBondContact CA-OH 3.48Å; G28-Y54 WeakPolarHBondContact O-CE2 3Å; G28-Y54 PolarHBondContact O-OH 2.8Å; Y29-Y54 HydrophobicContact CD1-CD1 4.18Å; Y29-Y54 HydrophobicContact CD1-CD2 4.11Å; Y29-Y54 HydrophobicContact CD1-CE1 4.31Å; Y29-Y54 HydrophobicContact CD1-CE2 4.23Å; Y29-Y54 HydrophobicContact CD1-CG 4.09Å; Y29-Y54 HydrophobicContact CD2-CE1 4.03Å; Y29-Y54 AromaticContact CE1-CD1 3.48Å; Y29-Y54 HydrophobicContact CE1-CD1 3.48Å; Y29-Y54 VanDerWaalsContact CE1-CD1 3.48Å; Y29-Y54 HydrophobicContact CE1-CD2 4.12Å; Y29-Y54 AromaticContact CE1-CE1 3.9Å; Y29-Y54 HydrophobicContact CE1-CE1 3.9Å; Y29-Y54 HydrophobicContact CE1-CE2 4.47Å; Y29-Y54 AromaticContact CE1-CG 3.62Å; Y29-Y54 HydrophobicContact CE1-CG 3.62Å; Y29-Y54 AromaticContact CE2-CD1 3.97Å; Y29-Y54 HydrophobicContact CE2-CD1 3.97Å; Y29-Y54 AromaticContact CE2-CE1 3.61Å; Y29-Y54 HydrophobicContact CE2-CE1 3.61Å; Y29-Y54 HydrophobicContact CG-CE1 4.37Å; Y29-Y54 HydrophobicContact CG-CE2 4.33Å; Y29-Y54 AromaticContact CZ-CD1 3.36Å; Y29-Y54 AromaticContact CZ-CE1 3.53Å; Y29-Y54 WeakPolarHBondContact OH-CD1 3.11Å; N34-Y54 HydrophobicContact CB-CD2 4.21Å; N34-Y54 HydrophobicContact CB-CE2 3.81Å; N34-Y54 WeakPolarHBondContact O-CD2 3.31Å; F35-Y54 AromaticContact CD1-CD2 3.97Å; F35-Y54 HydrophobicContact CD1-CD2 3.97Å; F35-Y54 HydrophobicContact CD1-CG 4.46Å; F35-Y54 AromaticContact CE1-CD2 3.5Å; F35-Y54 HydrophobicContact CE1-CD2 3.5Å; F35-Y54 HydrophobicContact CE1-CE2 4.4Å; F35-Y54 AromaticContact CE1-CG 3.99Å; F35-Y54 HydrophobicContact CE1-CG 3.99Å; F35-Y54 HydrophobicContact CE2-CD2 4.42Å; F35-Y54 AromaticContact CZ-CD2 3.77Å; F35-Y54 HydrophobicContact CZ-CD2 3.77Å; F35-Y54 HydrophobicContact CZ-CE2 4.24Å; Y54-L56 VanDerWaalsContact C-N 3.35Å; Y54-L56 HydrophobicContact CE1-CB 3.88Å; Y54-L56 HydrophobicContact CE1-CG 4.39Å; Y54-L56 HydrophobicContact CE2-CB 4.32Å; Y54-L56 HydrophobicContact CE2-CD1 4.3Å; Y54-L56 HydrophobicContact CE2-CG 4.01Å; Y54-L56 PolarHBondContact O-N 3.39Å; Y54-L56 WeakPolarHBondContact OH-CD1 3.47Å; Y54-D57 WeakPolarHBondContact CD1-OD1 3.26Å; Y54-N58 CarbonylContact O-C 3.58Å; Y54-N58 WeakPolarHBondContact O-CA 3.39Å; Y54-N58 PolarHBondContact O-N 3.03Å; Y54-T59 WeakPolarHBondContact CB-O 3.35Å; Y54-T59 PolarHBondContact N-O 3.21Å
55	L	97.3	Very high	92.5	Very high	55 Å²	55	45.6 Å²	45.6	29%	0.288	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-20.5	-165.8	-68.5	176.1	0	0	0	113.9	L23 N34 Q36 R53	L23-L55 HydrophobicContact CD1-CB 3.88Å; L23-L55 HydrophobicContact CD1-CD1 3.97Å; N34-L55 WeakPolarHBondContact O-CB 3.5Å; N34-L55 PolarHBondContact O-N 3.45Å; Q36-L55 HydrophobicContact CB-CD2 3.86Å; Q36-L55 HydrophobicContact CB-CG 4.38Å; R53-L55 PolarHBondContact O-N 3Å
56	L	95.5	Very high	93.5	Very high	69 Å²	69	40.1 Å²	40.1	36%	0.361	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-32	-177.6	-57.5	-167.5	0	0	0	113	L23 P25 Y54	L23-L56 HydrophobicContact CD1-CD2 4.11Å; L23-L56 HydrophobicContact CD2-CD2 3.79Å; L23-L56 HydrophobicContact CG-CD2 4.07Å; P25-L56 HydrophobicContact CB-CD1 4.23Å; P25-L56 HydrophobicContact CB-CD2 4.17Å; P25-L56 HydrophobicContact CG-CD2 4.33Å; Y54-L56 VanDerWaalsContact C-N 3.35Å; Y54-L56 HydrophobicContact CE1-CB 3.88Å; Y54-L56 HydrophobicContact CE1-CG 4.39Å; Y54-L56 HydrophobicContact CE2-CB 4.32Å; Y54-L56 HydrophobicContact CE2-CD1 4.3Å; Y54-L56 HydrophobicContact CE2-CG 4.01Å; Y54-L56 PolarHBondContact O-N 3.39Å; Y54-L56 WeakPolarHBondContact OH-CD1 3.47Å
57	D	96	Very high	94.1	Very high	84 Å²	84	40.8 Å²	40.8	45%	0.449	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132.7	6.9	-178.8	68.9	14.3	0	0	0	114.2	Y54 T59	Y54-D57 WeakPolarHBondContact CD1-OD1 3.26Å; D57-T59 PolarHBondContact O-N 2.85Å; D57-T59 WeakPolarHBondContact OD1-CB 3.5Å; D57-T59 PolarHBondContact OD1-N 3.4Å; D57-T59 PolarHBondContact OD1-OG1 3.15Å; D57-T59 PolarHBondContact OD2-OG1 3.16Å
58	N	96.1	Very high	93.9	Very high	101 Å²	101	40.2 Å²	40.2	54%	0.54	20%	0.2	S	C	.	.			trans	62.3	14.8	-176.2	-65.8	-66.7	0	0	0	115.9	Y54 S60	Y54-N58 CarbonylContact O-C 3.58Å; Y54-N58 WeakPolarHBondContact O-CA 3.39Å; Y54-N58 PolarHBondContact O-N 3.03Å; N58-S60 PolarHBondContact O-N 3.24Å
59	T	96.8	Very high	93.4	Very high	52 Å²	52	41.2 Å²	41.2	32%	0.319	20%	0.203	S	C	.	.			trans	-63.3	132.1	177.1	-61.5	0	0	0	0	111.1	Y54 D57 V61	Y54-T59 WeakPolarHBondContact CB-O 3.35Å; Y54-T59 PolarHBondContact N-O 3.21Å; D57-T59 PolarHBondContact O-N 2.85Å; D57-T59 WeakPolarHBondContact OD1-CB 3.5Å; D57-T59 PolarHBondContact OD1-N 3.4Å; D57-T59 PolarHBondContact OD1-OG1 3.15Å; D57-T59 PolarHBondContact OD2-OG1 3.16Å; T59-V61 HydrophobicContact CG2-CG1 4.17Å
60	S	96.9	Very high	92.6	Very high	45 Å²	45	46.8 Å²	46.8	32%	0.315	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	131.7	171	-65.4	0	0	0	0	110.7	N58	N58-S60 PolarHBondContact O-N 3.24Å
61	V	97.1	Very high	91.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	159.8	-176.9	-62.4	0	0	0	0	111.7	Y29 F35 A52 T59 V111 L112	Y29-V61 HydrophobicContact CE1-CG1 4.1Å; F35-V61 HydrophobicContact CD1-CG2 3.86Å; F35-V61 HydrophobicContact CE1-CG2 3.87Å; A52-V61 HydrophobicContact CB-CG2 4.07Å; A52-V61 PolarHBondContact N-O 3.16Å; A52-V61 WeakPolarHBondContact O-CG2 3.49Å; A52-V61 PolarHBondContact O-N 3.49Å; T59-V61 HydrophobicContact CG2-CG1 4.17Å; V61-V111 HydrophobicContact CB-CG1 3.81Å; V61-V111 HydrophobicContact CG1-CG1 3.96Å; V61-V111 HydrophobicContact CG2-CG1 3.88Å; V61-L112 WeakPolarHBondContact CA-O 3.31Å; V61-L112 WeakPolarHBondContact CB-O 3.11Å
62	A	95.8	Very high	90.4	Very high	10 Å²	10	44.6 Å²	44.6	8%	0.083	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	118.4	164	0	0	0	0	0	109.2	I41 V49 Y50 L112 L114	I41-A62 HydrophobicContact CD1-CB 4.43Å; V49-A62 HydrophobicContact CG1-CB 4.22Å; Y50-A62 CarbonylContact O-C 3.45Å; Y50-A62 WeakPolarHBondContact O-CA 3.4Å; A62-L112 HydrophobicContact CB-CB 4.29Å; A62-L112 PolarHBondContact N-O 3.03Å; A62-L112 PolarHBondContact O-N 2.84Å; A62-L114 HydrophobicContact CB-CD1 4.07Å
63	L	96	Very high	89.6	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	109.1	175.3	179.8	68.6	0	0	0	109	L32 I37 V49 Y50 A52 K65 N109 V111	L32-L63 HydrophobicContact CD2-CD1 4.18Å; L32-L63 HydrophobicContact CD2-CD2 3.64Å; I37-L63 HydrophobicContact CD1-CD2 3.96Å; I37-L63 HydrophobicContact CG1-CD2 4.07Å; V49-L63 WeakPolarHBondContact CA-O 3.23Å; Y50-L63 PolarHBondContact N-O 3.14Å; Y50-L63 PolarHBondContact O-N 3.28Å; A52-L63 HydrophobicContact CB-CB 4.31Å; L63-K65 HydrophobicContact CD2-CG 4.47Å; L63-K65 HydrophobicContact CG-CG 4.31Å; L63-N109 HydrophobicContact CD1-CB 4.17Å; L63-V111 HydrophobicContact CD1-CG2 3.97Å
64	K	92.8	Very high	88.9	Confident	19 Å²	19	48.6 Å²	48.6	8%	0.083	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	117.9	175.9	-176.1	170.8	-170.6	178.5	0	109.4	S47 E48 V49 I66 I110 D180	S47-K64 VanDerWaalsContact OG-CE 3.26Å; S47-K64 WeakPolarHBondContact OG-CE 3.47Å; E48-K64 CarbonylContact O-C 3.3Å; E48-K64 WeakPolarHBondContact O-CA 3.45Å; V49-K64 HydrophobicContact CG2-CB 4.25Å; V49-K64 HydrophobicContact CG2-CD 4.31Å; V49-K64 HydrophobicContact CG2-CG 4.01Å; K64-I66 HydrophobicContact CD-CD1 4.46Å; K64-I66 HydrophobicContact CG-CD1 4.28Å; K64-I66 HydrophobicContact CG-CG1 4.17Å; K64-I110 HydrophobicContact CB-CB 4.3Å; K64-I110 PolarHBondContact N-O 3.06Å; K64-I110 PolarHBondContact O-N 3.24Å; K64-D180 IonicContact NZ-OD1 2.79Å; K64-D180 PolarHBondContact NZ-OD1 3.27Å
65	K	92.1	Very high	88.2	Confident	31 Å²	31	54.9 Å²	54.9	14%	0.135	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	134.1	179.7	-65	-176	146.9	-122.1	0	110.2	S47 E48 Y50 L63 E107	S47-K65 CarbonylContact C-O 3.59Å; S47-K65 WeakPolarHBondContact CA-O 2.9Å; S47-K65 WeakPolarHBondContact CB-O 3.37Å; E48-K65 PolarHBondContact N-O 2.96Å; E48-K65 PolarHBondContact O-N 3.35Å; Y50-K65 HydrophobicContact CD2-CD 4.04Å; Y50-K65 HydrophobicContact CD2-CG 4.34Å; Y50-K65 HydrophobicContact CE2-CD 3.74Å; Y50-K65 HydrophobicContact CE2-CG 4.31Å; L63-K65 HydrophobicContact CD2-CG 4.47Å; L63-K65 HydrophobicContact CG-CG 4.31Å; K65-E107 WeakPolarHBondContact CD-OE2 3.43Å; K65-E107 IonicContact NZ-OE2 3.85Å; K65-E107 PolarHBondContact NZ-OE2 2.89Å
66	I	87.8	Confident	87.3	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	124.9	-172.2	-51.6	-177.1	0	0	0	109.9	K64 I68 L108 I110 L183 F187	K64-I66 HydrophobicContact CD-CD1 4.46Å; K64-I66 HydrophobicContact CG-CD1 4.28Å; K64-I66 HydrophobicContact CG-CG1 4.17Å; I66-I68 HydrophobicContact CB-CG2 4.19Å; I66-I68 HydrophobicContact CG2-CG2 3.66Å; I66-I68 PolarHBondContact O-N 3.08Å; I66-L108 HydrophobicContact CB-CB 4.24Å; I66-L108 HydrophobicContact CD1-CD2 4.22Å; I66-L108 PolarHBondContact N-O 2.71Å; I66-L108 PolarHBondContact O-N 3.5Å; I66-I110 HydrophobicContact CD1-CD1 3.84Å; I66-L183 HydrophobicContact CD1-CD1 4.41Å; I66-F187 HydrophobicContact CD1-CE1 4.3Å; I66-F187 HydrophobicContact CD1-CE2 4.24Å; I66-F187 HydrophobicContact CD1-CZ 3.63Å; I66-F187 HydrophobicContact CG2-CD1 3.86Å; I66-F187 HydrophobicContact CG2-CE1 3.21Å; I66-F187 HydrophobicContact CG2-CZ 3.64Å
67	Q	85	Confident	86.7	Confident	63 Å²	63	53.5 Å²	53.5	29%	0.294	28%	0.28	S	S	.	.			trans	-78.2	67	178.7	-61.5	-63.2	4.7	0	0	111.8	F69 E70 L71 E107	Q67-F69 VanDerWaalsContact C-N 3.28Å; Q67-F69 PolarHBondContact O-N 2.91Å; Q67-E70 HydrophobicContact CB-CB 4.45Å; Q67-E70 PolarHBondContact O-N 3.26Å; Q67-L71 HydrophobicContact CB-CD1 4.2Å; Q67-L71 HydrophobicContact CB-CG 4.41Å; Q67-L71 WeakPolarHBondContact O-CB 3.3Å; Q67-L71 WeakPolarHBondContact O-CD1 3.27Å; Q67-L71 VanDerWaalsContact O-CG 3.22Å; Q67-L71 WeakPolarHBondContact O-CG 3.43Å; Q67-L71 PolarHBondContact O-N 2.9Å; Q67-E107 PolarHBondContact NE2-OE1 3.1Å; Q67-E107 VanDerWaalsContact OE1-CG 3.31Å
68	I	79.4	Confident	86.2	Confident	4 Å²	4	55 Å²	55	2%	0.021	28%	0.284	C	S	.	.	H	α-helix	trans	-66.5	-24.5	-172.2	56.3	158.2	0	0	0	114.1	I66 M72 I103 L108 F187	I66-I68 HydrophobicContact CB-CG2 4.19Å; I66-I68 HydrophobicContact CG2-CG2 3.66Å; I66-I68 PolarHBondContact O-N 3.08Å; I68-M72 HydrophobicContact CG2-CE 4.28Å; I68-M72 WeakPolarHBondContact O-CB 3.27Å; I68-M72 PolarHBondContact O-N 2.77Å; I68-I103 HydrophobicContact CD1-CD1 3.84Å; I68-I103 HydrophobicContact CD1-CG1 4.17Å; I68-L108 HydrophobicContact CB-CB 4.36Å; I68-L108 HydrophobicContact CD1-CB 3.89Å; I68-L108 HydrophobicContact CG1-CB 3.89Å; I68-L108 HydrophobicContact CG2-CB 3.56Å; I68-L108 HydrophobicContact CG2-CD2 3.81Å; I68-L108 HydrophobicContact CG2-CG 4.35Å; I68-F187 HydrophobicContact CG2-CE1 4.29Å
69	F	78.8	Confident	85.6	Confident	75 Å²	75	52.9 Å²	52.9	33%	0.329	27%	0.272	S	S	.	.	H	α-helix	trans	-83.5	-25.5	-177.9	-67.5	-91.2	0	0	0	113.2	Q67 I103 N106	Q67-F69 VanDerWaalsContact C-N 3.28Å; Q67-F69 PolarHBondContact O-N 2.91Å; F69-I103 HydrophobicContact CE2-CG2 3.76Å; F69-I103 HydrophobicContact CZ-CD1 4.34Å; F69-I103 HydrophobicContact CZ-CG2 4.09Å; F69-N106 HydrophobicContact CD2-CB 4.42Å; F69-N106 WeakPolarHBondContact CD2-O 3.39Å; F69-N106 WeakPolarHBondContact CD2-OD1 3.43Å; F69-N106 WeakPolarHBondContact CE2-OD1 3.44Å; F69-N106 WeakPolarHBondContact CG-OD1 3.48Å
70	E	75.3	Confident	84.9	Confident	149 Å²	149	50.5 Å²	50.5	70%	0.696	26%	0.258	S	S	*	.	H	α-helix	trans	-84.1	-30.7	175.5	-62.2	-176.5	170.5	0	0	111.7	Q67	Q67-E70 HydrophobicContact CB-CB 4.45Å; Q67-E70 PolarHBondContact O-N 3.26Å
71	L	70.6	Confident	84.4	Confident	66 Å²	66	51.8 Å²	51.8	35%	0.346	26%	0.261	S	S	.	.	H	α-helix	trans	-99	-13.4	-168	-62.4	175.1	0	0	0	114.5	F46 Q67	F46-L71 HydrophobicContact CB-CD1 3.71Å; F46-L71 HydrophobicContact CD1-CD1 3.7Å; F46-L71 HydrophobicContact CD1-CD2 3.87Å; F46-L71 HydrophobicContact CD1-CG 4.4Å; F46-L71 HydrophobicContact CE1-CD2 4.27Å; F46-L71 HydrophobicContact CG-CD1 4.11Å; Q67-L71 HydrophobicContact CB-CD1 4.2Å; Q67-L71 HydrophobicContact CB-CG 4.41Å; Q67-L71 WeakPolarHBondContact O-CB 3.3Å; Q67-L71 WeakPolarHBondContact O-CD1 3.27Å; Q67-L71 VanDerWaalsContact O-CG 3.22Å; Q67-L71 WeakPolarHBondContact O-CG 3.43Å; Q67-L71 PolarHBondContact O-N 2.9Å
72	M	75.1	Confident	83.8	Confident	15 Å²	15	57 Å²	57	7%	0.074	28%	0.283	C	S	.	.			trans	-135.1	141.1	-171.2	-63.3	-173.4	-169.3	0	0	113.6	I68 A76 R77 C80 F186 F187	I68-M72 HydrophobicContact CG2-CE 4.28Å; I68-M72 WeakPolarHBondContact O-CB 3.27Å; I68-M72 PolarHBondContact O-N 2.77Å; M72-A76 HydrophobicContact CB-CB 3.96Å; M72-A76 HydrophobicContact CG-CB 4.17Å; M72-A76 HydrophobicContact SD-CB 4.25Å; M72-R77 HydrophobicContact CB-CG 3.51Å; M72-R77 HydrophobicContact CG-CG 4.33Å; M72-R77 HydrophobicContact SD-CB 4.49Å; M72-R77 HydrophobicContact SD-CG 3.91Å; M72-C80 HydrophobicContact CE-CB 4.08Å; M72-C80 HydrophobicContact SD-CB 3.99Å; M72-F186 HydrophobicContact CE-CB 3.48Å; M72-F186 VanDerWaalsContact CE-CB 3.48Å; M72-F186 HydrophobicContact SD-CB 4.29Å; M72-F187 HydrophobicContact CE-CD1 3.03Å; M72-F187 HydrophobicContact CE-CE1 2.95Å; M72-F187 HydrophobicContact CE-CG 4.1Å; M72-F187 HydrophobicContact CE-CZ 4.01Å
73	D	81.4	Confident	83.2	Confident	104 Å²	104	57.4 Å²	57.4	56%	0.556	28%	0.283	S	S	*	.			trans	-68.7	172.9	163.5	68.6	47.1	0	0	0	111.8	K75 A76 R77	D73-K75 VanDerWaalsContact C-N 3.28Å; D73-K75 PolarHBondContact O-N 3.06Å; D73-K75 WeakPolarHBondContact OD1-CA 3.36Å; D73-K75 WeakPolarHBondContact OD1-CB 3.44Å; D73-K75 PolarHBondContact OD1-N 2.97Å; D73-A76 PolarHBondContact OD1-N 3.39Å; D73-R77 WeakPolarHBondContact O-CG 3.22Å; D73-R77 PolarHBondContact O-N 3.17Å; D73-R77 PolarHBondContact O-NE 2.89Å
74	A	82.9	Confident	82.8	Confident	66 Å²	66	57.6 Å²	57.6	55%	0.545	28%	0.284	S	S	.	.	H	α-helix	trans	-60.3	-35.2	-178.5	0	0	0	0	0	113.6	Q78	A74-Q78 PolarHBondContact O-N 3.43Å; A74-Q78 VanDerWaalsContact O-N 3.11Å
75	K	82.7	Confident	82.5	Confident	144 Å²	144	60.1 Å²	60.1	63%	0.626	30%	0.299	S	S	*	.	H	α-helix	trans	-73.4	-47.7	-178.5	-177.8	176.5	179.7	175	0	110.8	D73 R77 Q78 D79	D73-K75 VanDerWaalsContact C-N 3.28Å; D73-K75 PolarHBondContact O-N 3.06Å; D73-K75 WeakPolarHBondContact OD1-CA 3.36Å; D73-K75 WeakPolarHBondContact OD1-CB 3.44Å; D73-K75 PolarHBondContact OD1-N 2.97Å; K75-R77 VanDerWaalsContact C-N 3.28Å; K75-R77 PolarHBondContact O-N 3.03Å; K75-Q78 PolarHBondContact O-N 2.87Å; K75-Q78 VanDerWaalsContact O-N 3.11Å; K75-D79 PolarHBondContact O-N 2.95Å
76	A	79	Confident	82.3	Confident	22 Å²	22	61.7 Å²	61.7	18%	0.182	31%	0.308	C	S	.	.	H	α-helix	trans	-59.7	-38.6	176.2	0	0	0	0	0	111.9	M72 D73 D79 C80	M72-A76 HydrophobicContact CB-CB 3.96Å; M72-A76 HydrophobicContact CG-CB 4.17Å; M72-A76 HydrophobicContact SD-CB 4.25Å; D73-A76 PolarHBondContact OD1-N 3.39Å; A76-D79 PolarHBondContact O-N 3.35Å; A76-C80 VanDerWaalsContact O-CB 3.24Å; A76-C80 WeakPolarHBondContact O-CB 3.4Å; A76-C80 PolarHBondContact O-N 2.78Å
77	R	83.7	Confident	82.3	Confident	74 Å²	74	61.9 Å²	61.9	28%	0.279	31%	0.309	S	S	.	.	H	α-helix	trans	-61.7	-46.8	172.1	-73.4	-177.7	-71.6	159.9	-0.9	112.2	M72 D73 K75 D79 C80 I81	M72-R77 HydrophobicContact CB-CG 3.51Å; M72-R77 HydrophobicContact CG-CG 4.33Å; M72-R77 HydrophobicContact SD-CB 4.49Å; M72-R77 HydrophobicContact SD-CG 3.91Å; D73-R77 WeakPolarHBondContact O-CG 3.22Å; D73-R77 PolarHBondContact O-N 3.17Å; D73-R77 PolarHBondContact O-NE 2.89Å; K75-R77 VanDerWaalsContact C-N 3.28Å; K75-R77 PolarHBondContact O-N 3.03Å; R77-D79 VanDerWaalsContact C-N 3.34Å; R77-D79 PolarHBondContact O-N 2.83Å; R77-C80 WeakPolarHBondContact O-CB 3.4Å; R77-C80 PolarHBondContact O-N 3.37Å; R77-I81 WeakPolarHBondContact O-CG1 3.19Å; R77-I81 PolarHBondContact O-N 2.8Å
78	Q	84.9	Confident	82.5	Confident	114 Å²	114	63 Å²	63	53%	0.533	31%	0.313	S	S	.	.	H	α-helix	trans	-63	-41.7	179.8	-168.2	-179.1	10.2	0	0	111.8	A74 K75 I81 K82	A74-Q78 PolarHBondContact O-N 3.43Å; A74-Q78 VanDerWaalsContact O-N 3.11Å; K75-Q78 PolarHBondContact O-N 2.87Å; K75-Q78 VanDerWaalsContact O-N 3.11Å; Q78-I81 PolarHBondContact O-N 3.03Å; Q78-K82 WeakPolarHBondContact O-CG 3.47Å; Q78-K82 PolarHBondContact O-N 3.22Å; Q78-K82 VanDerWaalsContact O-N 3.09Å
79	D	82.9	Confident	83	Confident	57 Å²	57	68.6 Å²	68.6	31%	0.305	34%	0.339	S	S	.	.	H	α-helix	trans	-70.5	-34.3	178.2	-66.1	-24.9	0	0	0	112.1	K75 A76 R77 K82 E83 F186	K75-D79 PolarHBondContact O-N 2.95Å; A76-D79 PolarHBondContact O-N 3.35Å; R77-D79 VanDerWaalsContact C-N 3.34Å; R77-D79 PolarHBondContact O-N 2.83Å; D79-K82 PolarHBondContact O-N 2.85Å; D79-K82 IonicContact OD1-NZ 3.28Å; D79-K82 PolarHBondContact OD1-NZ 2.76Å; D79-E83 PolarHBondContact O-N 3.23Å; D79-F186 HydrophobicContact CB-CD1 4.29Å; D79-F186 HydrophobicContact CB-CE1 3.6Å; D79-F186 HydrophobicContact CB-CZ 4.38Å; D79-F186 WeakPolarHBondContact O-CZ 3.36Å
80	C	83.8	Confident	83.6	Confident	2 Å²	2	65.4 Å²	65.4	1%	0.014	33%	0.325	C	S	.	.	H	α-helix	trans	-61.6	-45.6	171.9	-176.9	0	0	0	0	111.8	M72 A76 R77 K82 E83 I84 F186	M72-C80 HydrophobicContact CE-CB 4.08Å; M72-C80 HydrophobicContact SD-CB 3.99Å; A76-C80 VanDerWaalsContact O-CB 3.24Å; A76-C80 WeakPolarHBondContact O-CB 3.4Å; A76-C80 PolarHBondContact O-N 2.78Å; R77-C80 WeakPolarHBondContact O-CB 3.4Å; R77-C80 PolarHBondContact O-N 3.37Å; C80-K82 PolarHBondContact O-N 2.82Å; C80-E83 PolarHBondContact O-N 3.18Å; C80-I84 WeakPolarHBondContact O-CG1 3.45Å; C80-I84 PolarHBondContact O-N 3.2Å; C80-F186 HydrophobicContact CB-CB 4.06Å; C80-F186 HydrophobicContact CB-CD1 4.19Å; C80-F186 HydrophobicContact CB-CD2 4.03Å; C80-F186 HydrophobicContact CB-CG 3.83Å
81	I	84.6	Confident	84.6	Confident	73 Å²	73	64.3 Å²	64.3	37%	0.374	32%	0.324	S	S	.	.	H	α-helix	trans	-62.3	-43.3	177.4	-67.8	165.9	0	0	0	111	R77 Q78 E83 I84 D85	R77-I81 WeakPolarHBondContact O-CG1 3.19Å; R77-I81 PolarHBondContact O-N 2.8Å; Q78-I81 PolarHBondContact O-N 3.03Å; I81-E83 VanDerWaalsContact C-N 3.33Å; I81-E83 PolarHBondContact O-N 2.86Å; I81-I84 WeakPolarHBondContact O-CB 3.31Å; I81-I84 PolarHBondContact O-N 3.01Å; I81-D85 PolarHBondContact O-N 3.17Å
82	K	84.9	Confident	85.9	Confident	108 Å²	108	62.7 Å²	62.7	47%	0.47	32%	0.315	S	S	.	.	H	α-helix	trans	-59.8	-41.9	175.4	-71.4	171.7	-172.3	161.1	0	112.5	Q78 D79 C80 I84 D85 L86	Q78-K82 WeakPolarHBondContact O-CG 3.47Å; Q78-K82 PolarHBondContact O-N 3.22Å; Q78-K82 VanDerWaalsContact O-N 3.09Å; D79-K82 PolarHBondContact O-N 2.85Å; D79-K82 IonicContact OD1-NZ 3.28Å; D79-K82 PolarHBondContact OD1-NZ 2.76Å; C80-K82 PolarHBondContact O-N 2.82Å; K82-I84 VanDerWaalsContact C-N 3.33Å; K82-D85 PolarHBondContact O-N 3.39Å; K82-L86 PolarHBondContact O-N 3.03Å
83	E	83.4	Confident	86.9	Confident	19 Å²	19	66 Å²	66	9%	0.089	34%	0.337	C	S	.	.	H	α-helix	trans	-63.7	-42.4	176.4	-168.8	87.8	140.5	0	0	111	D79 C80 I81 D85 L86 L87 R161 L183 R185 F186	D79-E83 PolarHBondContact O-N 3.23Å; C80-E83 PolarHBondContact O-N 3.18Å; I81-E83 VanDerWaalsContact C-N 3.33Å; I81-E83 PolarHBondContact O-N 2.86Å; E83-D85 PolarHBondContact O-N 2.85Å; E83-L86 WeakPolarHBondContact O-CA 3.36Å; E83-L86 WeakPolarHBondContact O-CB 3.32Å; E83-L86 PolarHBondContact O-N 3.21Å; E83-L87 HydrophobicContact CG-CD1 4.5Å; E83-L87 HydrophobicContact CG-CG 4.47Å; E83-L87 WeakPolarHBondContact O-CG 3.11Å; E83-L87 PolarHBondContact O-N 2.98Å; E83-R161 IonicContact OE1-CZ 2.87Å; E83-R161 IonicContact OE1-NE 2.75Å; E83-R161 IonicContact OE1-NH2 3.83Å; E83-L183 HydrophobicContact CB-CD2 4.3Å; E83-L183 HydrophobicContact CG-CD2 4.18Å; E83-R185 IonicContact OE1-CZ 2.61Å; E83-R185 IonicContact OE1-NE 2.69Å; E83-R185 IonicContact OE1-NH2 3.67Å; E83-R185 PolarHBondContact OE1-NH2 3.25Å; E83-R185 IonicContact OE2-NH2 3.75Å; E83-R185 PolarHBondContact OE2-NH2 3.24Å; E83-F186 HydrophobicContact CB-CE2 3.55Å; E83-F186 HydrophobicContact CB-CZ 3.79Å; E83-F186 HydrophobicContact CG-CE2 3.87Å; E83-F186 HydrophobicContact CG-CZ 4.35Å
84	I	87.8	Confident	87.7	Confident	4 Å²	4	61.7 Å²	61.7	2%	0.021	32%	0.315	C	S	.	.	H	α-helix	trans	-57	-40.2	176.8	-76.3	166.4	0	0	0	111.5	C80 I81 K82 L86 L87 K88 Y98 S101 L108 L183	C80-I84 WeakPolarHBondContact O-CG1 3.45Å; C80-I84 PolarHBondContact O-N 3.2Å; I81-I84 WeakPolarHBondContact O-CB 3.31Å; I81-I84 PolarHBondContact O-N 3.01Å; K82-I84 VanDerWaalsContact C-N 3.33Å; I84-L86 VanDerWaalsContact C-N 3.28Å; I84-L86 PolarHBondContact O-N 3.03Å; I84-L87 PolarHBondContact O-N 3.49Å; I84-L87 VanDerWaalsContact O-N 3.17Å; I84-K88 HydrophobicContact CG2-CD 4.35Å; I84-K88 WeakPolarHBondContact O-CG 3.26Å; I84-K88 PolarHBondContact O-N 2.94Å; I84-Y98 WeakPolarHBondContact CG2-OH 3.17Å; I84-S101 WeakPolarHBondContact CG2-OG 3.47Å; I84-L108 HydrophobicContact CD1-CD1 4.08Å; I84-L108 HydrophobicContact CD1-CD2 3.41Å; I84-L108 VanDerWaalsContact CD1-CD2 3.41Å; I84-L108 HydrophobicContact CD1-CG 4.34Å; I84-L183 HydrophobicContact CD1-CD1 4.38Å; I84-L183 HydrophobicContact CG1-CD1 4.09Å; I84-L183 HydrophobicContact CG1-CD2 3.88Å
85	D	87.4	Confident	88.4	Confident	73 Å²	73	58.6 Å²	58.6	39%	0.39	29%	0.289	S	S	.	.	H	α-helix	trans	-67	-29.2	177.8	-67.3	-25.9	0	0	0	112.8	I81 K82 E83 K88 Q89	I81-D85 PolarHBondContact O-N 3.17Å; K82-D85 PolarHBondContact O-N 3.39Å; E83-D85 PolarHBondContact O-N 2.85Å; D85-K88 IonicContact OD1-NZ 2.69Å; D85-Q89 WeakPolarHBondContact O-CG 3.45Å; D85-Q89 PolarHBondContact O-NE2 2.92Å
86	L	87.2	Confident	89	Confident	64 Å²	64	52.1 Å²	52.1	34%	0.335	26%	0.261	S	S	.	.	H	α-helix	trans	-72.4	-41.8	169.5	-62.7	174.3	0	0	0	111.5	K82 E83 I84 K88 Q89 V158	K82-L86 PolarHBondContact O-N 3.03Å; E83-L86 WeakPolarHBondContact O-CA 3.36Å; E83-L86 WeakPolarHBondContact O-CB 3.32Å; E83-L86 PolarHBondContact O-N 3.21Å; I84-L86 VanDerWaalsContact C-N 3.28Å; I84-L86 PolarHBondContact O-N 3.03Å; L86-K88 VanDerWaalsContact C-N 3.32Å; L86-K88 PolarHBondContact O-N 3.09Å; L86-Q89 WeakPolarHBondContact O-CB 3.08Å; L86-Q89 PolarHBondContact O-N 3.08Å; L86-Q89 VanDerWaalsContact O-N 3.15Å; L86-V158 HydrophobicContact CB-CG2 3.99Å
87	L	88.5	Confident	89.7	Confident	3 Å²	3	56.1 Å²	56.1	2%	0.016	27%	0.274	C	S	.	.	H	α-helix	trans	-62.8	-37.7	178.7	-66.1	179.8	0	0	0	112.3	E83 I84 Q89 L90 Y98 V158 L181 L183	E83-L87 HydrophobicContact CG-CD1 4.5Å; E83-L87 HydrophobicContact CG-CG 4.47Å; E83-L87 WeakPolarHBondContact O-CG 3.11Å; E83-L87 PolarHBondContact O-N 2.98Å; I84-L87 PolarHBondContact O-N 3.49Å; I84-L87 VanDerWaalsContact O-N 3.17Å; L87-Q89 PolarHBondContact O-N 3.42Å; L87-L90 HydrophobicContact CD2-CD1 3.96Å; L87-L90 WeakPolarHBondContact O-CB 3.46Å; L87-L90 WeakPolarHBondContact O-CG 3.33Å; L87-L90 PolarHBondContact O-N 2.92Å; L87-L90 VanDerWaalsContact O-N 3.08Å; L87-Y98 HydrophobicContact CB-CD2 4.22Å; L87-Y98 HydrophobicContact CB-CE2 4.2Å; L87-V158 HydrophobicContact CD2-CG1 3.69Å; L87-L181 HydrophobicContact CB-CD1 4.43Å; L87-L181 HydrophobicContact CD1-CB 3.77Å; L87-L181 HydrophobicContact CD2-CB 3.75Å; L87-L181 HydrophobicContact CD2-CD1 4.16Å; L87-L181 HydrophobicContact CD2-CD2 4.32Å; L87-L181 HydrophobicContact CD2-CG 4.29Å; L87-L181 HydrophobicContact CG-CB 4.33Å; L87-L183 HydrophobicContact CD1-CD1 4.49Å; L87-L183 HydrophobicContact CD1-CD2 3.89Å; L87-L183 HydrophobicContact CD1-CG 4.03Å
88	K	89	Confident	90.2	Very high	86 Å²	86	53.4 Å²	53.4	37%	0.374	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-26.9	175.4	-77.8	173.2	-179.1	169.5	0	113.4	I84 D85 L86 L90 Y98 S101	I84-K88 HydrophobicContact CG2-CD 4.35Å; I84-K88 WeakPolarHBondContact O-CG 3.26Å; I84-K88 PolarHBondContact O-N 2.94Å; D85-K88 IonicContact OD1-NZ 2.69Å; L86-K88 VanDerWaalsContact C-N 3.32Å; L86-K88 PolarHBondContact O-N 3.09Å; K88-L90 VanDerWaalsContact C-N 3.27Å; K88-L90 PolarHBondContact O-N 2.94Å; K88-Y98 HydrophobicContact CB-CD1 4.45Å; K88-Y98 HydrophobicContact CD-CE1 4.34Å; K88-Y98 HydrophobicContact CG-CD1 3.57Å; K88-Y98 HydrophobicContact CG-CE1 3.48Å; K88-Y98 VanDerWaalsContact CG-CE1 3.48Å; K88-Y98 HydrophobicContact CG-CG 4.39Å; K88-S101 WeakPolarHBondContact CE-OG 3.32Å; K88-S101 PolarHBondContact NZ-OG 3.46Å; K88-S101 VanDerWaalsContact NZ-OG 3.16Å
89	Q	88.8	Confident	90.7	Very high	123 Å²	123	50.4 Å²	50.4	58%	0.575	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-8.8	-179.6	-62.5	170.2	40.5	0	0	112.7	D85 L86 L87 N91	D85-Q89 WeakPolarHBondContact O-CG 3.45Å; D85-Q89 PolarHBondContact O-NE2 2.92Å; L86-Q89 WeakPolarHBondContact O-CB 3.08Å; L86-Q89 PolarHBondContact O-N 3.08Å; L86-Q89 VanDerWaalsContact O-N 3.15Å; L87-Q89 PolarHBondContact O-N 3.42Å; Q89-N91 PolarHBondContact O-N 3.17Å
90	L	92.7	Very high	91.2	Very high	7 Å²	7	48 Å²	48	4%	0.037	24%	0.238	C	C	.	.			trans	-74.7	111.3	177	-59.7	178.8	0	0	0	110.2	L87 K88 V95 M153 R156 V158 L181	L87-L90 HydrophobicContact CD2-CD1 3.96Å; L87-L90 WeakPolarHBondContact O-CB 3.46Å; L87-L90 WeakPolarHBondContact O-CG 3.33Å; L87-L90 PolarHBondContact O-N 2.92Å; L87-L90 VanDerWaalsContact O-N 3.08Å; K88-L90 VanDerWaalsContact C-N 3.27Å; K88-L90 PolarHBondContact O-N 2.94Å; L90-V95 HydrophobicContact CB-CG1 4.46Å; L90-V95 HydrophobicContact CD1-CG1 4.4Å; L90-M153 HydrophobicContact CD1-CE 4.08Å; L90-M153 HydrophobicContact CD1-CG 4Å; L90-M153 HydrophobicContact CD1-SD 4.49Å; L90-M153 HydrophobicContact CD2-CG 4.13Å; L90-R156 HydrophobicContact CD2-CB 4.33Å; L90-V158 HydrophobicContact CD1-CG1 4.28Å; L90-V158 HydrophobicContact CD2-CB 4.47Å; L90-V158 HydrophobicContact CD2-CG2 4.24Å; L90-L181 HydrophobicContact CD1-CD1 4.39Å; L90-L181 HydrophobicContact CD1-CD2 3.99Å
91	N	94.9	Very high	91.7	Very high	126 Å²	126	48.4 Å²	48.4	67%	0.674	24%	0.241	S	C	*	.			trans	-128.9	102.1	171.1	-177.3	20.1	0	0	0	110	Q89 H152	Q89-N91 PolarHBondContact O-N 3.17Å; N91-H152 PolarHBondContact N-NE2 3.41Å; N91-H152 PolarHBondContact O-CE1 3.18Å; N91-H152 PolarHBondContact O-NE2 3.29Å
92	H	97.5	Very high	92.2	Very high	32 Å²	32	46 Å²	46	15%	0.148	23%	0.228	C	C	.	.			trans	-150.6	142.1	-177	-171.4	-93.8	0	0	0	110.7	N94 V95 S148 H152	H92-N94 PolarHBondContact CE1-OD1 3.41Å; H92-N94 PolarHBondContact ND1-N 3.05Å; H92-N94 PolarHBondContact O-N 3.04Å; H92-N94 VanDerWaalsContact O-N 3.14Å; H92-V95 HydrophobicContact CB-CB 4.17Å; H92-V95 HydrophobicContact CB-CG2 3.91Å; H92-V95 PolarHBondContact O-N 3.31Å; H92-V95 VanDerWaalsContact O-N 3.14Å; H92-S148 PolarHBondContact CE1-OG 3.05Å; H92-S148 VanDerWaalsContact CE1-OG 3.24Å; H92-S148 PolarHBondContact NE2-OG 3.49Å; H92-H152 HydrophobicContact CB-CB 4.27Å; H92-H152 AromaticContact CD2-CG 3.63Å; H92-H152 AromaticContact CD2-ND1 3.55Å; H92-H152 AromaticContact CG-CG 3.78Å; H92-H152 AromaticContact CG-ND1 3.98Å
93	P	97.4	Very high	92.6	Very high	84 Å²	84	45 Å²	45	55%	0.545	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-29.8	-179.6	22.1	-35.2	0	0	0	113.6	K177	P93-K177 VanDerWaalsContact O-CD 3.26Å; P93-K177 WeakPolarHBondContact O-CD 3.45Å; P93-K177 WeakPolarHBondContact O-CE 3.09Å; P93-K177 PolarHBondContact O-NZ 3.32Å; P93-K177 VanDerWaalsContact O-NZ 3.12Å
94	N	98.2	Very high	93	Very high	14 Å²	14	45.6 Å²	45.6	8%	0.075	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	10.8	-179.6	-54.5	113.9	0	0	0	115.5	H92 Q145 A149 V176 K177 L178	H92-N94 PolarHBondContact CE1-OD1 3.41Å; H92-N94 PolarHBondContact ND1-N 3.05Å; H92-N94 PolarHBondContact O-N 3.04Å; H92-N94 VanDerWaalsContact O-N 3.14Å; N94-Q145 VanDerWaalsContact CB-O 3.31Å; N94-Q145 WeakPolarHBondContact CB-O 3.1Å; N94-Q145 PolarHBondContact ND2-OE1 3.18Å; N94-Q145 VanDerWaalsContact ND2-OE1 3.17Å; N94-A149 HydrophobicContact CB-CB 3.78Å; N94-A149 WeakPolarHBondContact O-CB 3.36Å; N94-V176 WeakPolarHBondContact CA-O 3.36Å; N94-V176 WeakPolarHBondContact CB-O 3.48Å; N94-V176 PolarHBondContact ND2-O 2.87Å; N94-K177 CarbonylContact O-C 3.58Å; N94-K177 WeakPolarHBondContact O-CA 3.39Å; N94-L178 PolarHBondContact O-N 3.31Å
95	V	96.9	Very high	93.1	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.012	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-113.1	140.1	170.9	179.6	0	0	0	0	107.9	L90 H92 K97 A149 M153 L181	L90-V95 HydrophobicContact CB-CG1 4.46Å; L90-V95 HydrophobicContact CD1-CG1 4.4Å; H92-V95 HydrophobicContact CB-CB 4.17Å; H92-V95 HydrophobicContact CB-CG2 3.91Å; H92-V95 PolarHBondContact O-N 3.31Å; H92-V95 VanDerWaalsContact O-N 3.14Å; V95-K97 PolarHBondContact O-N 3.31Å; V95-A149 HydrophobicContact CG2-CB 3.81Å; V95-M153 HydrophobicContact CG2-CG 4.35Å; V95-L181 HydrophobicContact CG1-CD2 4.22Å
96	I	95.3	Very high	93.1	Very high	8 Å²	8	50.2 Å²	50.2	4%	0.041	25%	0.254	C	S	.	.			trans	-57.7	122.9	172.1	-73.5	-68.3	0	0	0	108.6	Y98 L112 E113 A115 F169 K177 L178	I96-Y98 PolarHBondContact O-N 3.06Å; I96-L112 HydrophobicContact CG2-CB 3.94Å; I96-E113 HydrophobicContact CD1-CG 4.42Å; I96-E113 HydrophobicContact CG2-CB 4.19Å; I96-A115 HydrophobicContact CD1-CB 3.73Å; I96-F169 HydrophobicContact CD1-CD2 4.06Å; I96-F169 HydrophobicContact CG1-CD2 4.04Å; I96-F169 HydrophobicContact CG1-CE2 4.39Å; I96-K177 HydrophobicContact CD1-CB 3.64Å; I96-K177 HydrophobicContact CD1-CD 4.47Å; I96-K177 HydrophobicContact CD1-CG 4.26Å; I96-K177 HydrophobicContact CG1-CB 4.05Å; I96-L178 PolarHBondContact N-O 3.43Å
97	K	93.9	Very high	93.3	Very high	105 Å²	105	48.7 Å²	48.7	46%	0.457	25%	0.246	S	C	.	.			trans	-63.9	131.9	-177.9	-171.7	174.8	-179.8	176.4	0	111	V95 L112 E113	V95-K97 PolarHBondContact O-N 3.31Å; K97-L112 CarbonylContact O-C 3.52Å; K97-L112 WeakPolarHBondContact O-CA 3.5Å; K97-E113 HydrophobicContact CB-CB 3.83Å; K97-E113 PolarHBondContact N-OE2 3.19Å; K97-E113 PolarHBondContact O-N 3.35Å
98	Y	94.3	Very high	93.4	Very high	18 Å²	18	48.9 Å²	48.9	7%	0.071	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	112.9	171.1	-157.4	-74.4	0	0	0	108.9	I84 L87 K88 I96 A100 S101 I110 L112 L181	I84-Y98 WeakPolarHBondContact CG2-OH 3.17Å; L87-Y98 HydrophobicContact CB-CD2 4.22Å; L87-Y98 HydrophobicContact CB-CE2 4.2Å; K88-Y98 HydrophobicContact CB-CD1 4.45Å; K88-Y98 HydrophobicContact CD-CE1 4.34Å; K88-Y98 HydrophobicContact CG-CD1 3.57Å; K88-Y98 HydrophobicContact CG-CE1 3.48Å; K88-Y98 VanDerWaalsContact CG-CE1 3.48Å; K88-Y98 HydrophobicContact CG-CG 4.39Å; I96-Y98 PolarHBondContact O-N 3.06Å; Y98-A100 VanDerWaalsContact CE1-C 3.48Å; Y98-A100 VanDerWaalsContact CE1-O 3.31Å; Y98-A100 WeakPolarHBondContact CE1-O 3.32Å; Y98-S101 WeakPolarHBondContact OH-CB 3.33Å; Y98-S101 PolarHBondContact OH-OG 2.9Å; Y98-I110 HydrophobicContact CD2-CG2 4.26Å; Y98-I110 HydrophobicContact CE1-CG2 4.18Å; Y98-I110 HydrophobicContact CE2-CG2 3.46Å; Y98-I110 VanDerWaalsContact CE2-CG2 3.46Å; Y98-I110 VanDerWaalsContact CZ-CG2 3.41Å; Y98-I110 WeakPolarHBondContact OH-CG2 3.47Å; Y98-L112 HydrophobicContact CD2-CD2 3.58Å; Y98-L112 HydrophobicContact CE2-CD2 4.07Å; Y98-L112 HydrophobicContact CG-CD2 4.06Å; Y98-L181 HydrophobicContact CD2-CD1 4.26Å
99	H	94.6	Very high	93.6	Very high	51 Å²	51	44.8 Å²	44.8	24%	0.236	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-50	-178.9	-70.8	-86.9	0	0	0	111.9	Y29 V111 E113	Y29-H99 HydrophobicContact CD1-CB 3.93Å; Y29-H99 HydrophobicContact CE1-CB 4.17Å; Y29-H99 AromaticContact CE1-ND1 3.99Å; Y29-H99 HydrophobicContact CG-CB 4.14Å; Y29-H99 AromaticContact CZ-ND1 3.71Å; H99-V111 HydrophobicContact CB-CB 4.13Å; H99-V111 HydrophobicContact CB-CG1 4.03Å; H99-V111 WeakPolarHBondContact CB-O 3.46Å; H99-V111 PolarHBondContact N-O 3.42Å; H99-E113 PolarHBondContact CD2-N 3.38Å
100	A	95	Very high	93.9	Very high	5 Å²	5	39.1 Å²	39.1	4%	0.041	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	164.8	-176.8	0	0	0	0	0	111.8	Y29 Y98 V111	Y29-A100 VanDerWaalsContact CB-CB 3.5Å; Y29-A100 WeakPolarHBondContact O-CB 3.43Å; Y98-A100 VanDerWaalsContact CE1-C 3.48Å; Y98-A100 VanDerWaalsContact CE1-O 3.31Å; Y98-A100 WeakPolarHBondContact CE1-O 3.32Å; A100-V111 HydrophobicContact CB-CB 4.45Å; A100-V111 HydrophobicContact CB-CG2 4.42Å; A100-V111 PolarHBondContact N-O 3.25Å; A100-V111 PolarHBondContact O-N 2.8Å
101	S	94.1	Very high	94	Very high	12 Å²	12	38.8 Å²	38.8	8%	0.084	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	145.2	159.7	57.5	0	0	0	0	111.9	I84 K88 Y98 N109	I84-S101 WeakPolarHBondContact CG2-OG 3.47Å; K88-S101 WeakPolarHBondContact CE-OG 3.32Å; K88-S101 PolarHBondContact NZ-OG 3.46Å; K88-S101 VanDerWaalsContact NZ-OG 3.16Å; Y98-S101 WeakPolarHBondContact OH-CB 3.33Å; Y98-S101 PolarHBondContact OH-OG 2.9Å; S101-N109 CarbonylContact C-O 3.54Å; S101-N109 WeakPolarHBondContact CA-O 3.37Å; S101-N109 VanDerWaalsContact CB-O 3.26Å; S101-N109 WeakPolarHBondContact CB-O 3.49Å
102	F	94.4	Very high	94.1	Very high	23 Å²	23	33.9 Å²	33.9	10%	0.101	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	157.6	-171.8	57.1	-83.1	0	0	0	109.8	Y29 N30 L32 F35 E104 N109 V111	Y29-F102 WeakPolarHBondContact O-CE1 3.35Å; N30-F102 HydrophobicContact CB-CB 4.4Å; N30-F102 HydrophobicContact CB-CD1 4.37Å; N30-F102 HydrophobicContact CB-CG 4.49Å; N30-F102 WeakPolarHBondContact O-CD2 3.26Å; N30-F102 WeakPolarHBondContact O-CG 3.39Å; L32-F102 HydrophobicContact CD2-CE2 4.33Å; L32-F102 HydrophobicContact CD2-CZ 4.07Å; L32-F102 HydrophobicContact CG-CE2 3.87Å; L32-F102 HydrophobicContact CG-CZ 4.09Å; F35-F102 HydrophobicContact CE2-CE1 4.46Å; F35-F102 HydrophobicContact CE2-CZ 4.37Å; F102-E104 HydrophobicContact CD2-CB 3.96Å; F102-E104 HydrophobicContact CE2-CB 3.99Å; F102-E104 WeakPolarHBondContact CE2-OE2 3.11Å; F102-N109 HydrophobicContact CD1-CB 4.34Å; F102-N109 HydrophobicContact CD2-CB 4.17Å; F102-N109 HydrophobicContact CE1-CB 4Å; F102-N109 HydrophobicContact CE2-CB 3.84Å; F102-N109 HydrophobicContact CG-CB 4.42Å; F102-N109 HydrophobicContact CZ-CB 3.75Å; F102-N109 PolarHBondContact N-O 3.16Å; F102-N109 PolarHBondContact O-N 3.47Å; F102-V111 HydrophobicContact CE1-CG2 3.89Å
103	I	92.6	Very high	93.9	Very high	85 Å²	85	34.6 Å²	34.6	44%	0.436	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	122.5	175.7	-63	172.9	0	0	0	107.6	I68 F69 E107 L108	I68-I103 HydrophobicContact CD1-CD1 3.84Å; I68-I103 HydrophobicContact CD1-CG1 4.17Å; F69-I103 HydrophobicContact CE2-CG2 3.76Å; F69-I103 HydrophobicContact CZ-CD1 4.34Å; F69-I103 HydrophobicContact CZ-CG2 4.09Å; I103-E107 VanDerWaalsContact CA-O 3.32Å; I103-E107 WeakPolarHBondContact CA-O 3.41Å; I103-L108 HydrophobicContact CG1-CD1 4.42Å
104	E	93.3	Very high	93.8	Very high	32 Å²	32	32 Å²	32	15%	0.15	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	142.5	175.7	-170.3	175	167.6	0	0	108.6	K21 L32 F102 N106 E107 N109	K21-E104 IonicContact NZ-OE1 2.84Å; K21-E104 PolarHBondContact NZ-OE1 3.43Å; L32-E104 WeakPolarHBondContact CB-OE2 3.05Å; L32-E104 HydrophobicContact CD1-CB 4.32Å; L32-E104 HydrophobicContact CD1-CG 4.34Å; L32-E104 PolarHBondContact N-OE2 3.12Å; F102-E104 HydrophobicContact CD2-CB 3.96Å; F102-E104 HydrophobicContact CE2-CB 3.99Å; F102-E104 WeakPolarHBondContact CE2-OE2 3.11Å; E104-N106 PolarHBondContact O-N 2.96Å; E104-E107 PolarHBondContact N-O 3.48Å; E104-E107 PolarHBondContact O-N 3.04Å; E104-N109 PolarHBondContact O-ND2 3.12Å
105	D	89.6	Confident	93.4	Very high	89 Å²	89	32.3 Å²	32.3	48%	0.476	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	37.4	-178.7	-55.1	-33.5	0	0	0	113.1	K21 E107	K21-D105 IonicContact NZ-OD1 2.82Å; K21-D105 PolarHBondContact NZ-OD1 3.2Å; K21-D105 IonicContact NZ-OD2 2.91Å; K21-D105 PolarHBondContact NZ-OD2 2.65Å; D105-E107 PolarHBondContact O-N 3.02Å
106	N	87.8	Confident	92.9	Very high	86 Å²	86	37.3 Å²	37.3	46%	0.46	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	18.5	-177.4	-153	50.3	0	0	0	114.3	F69 E104	F69-N106 HydrophobicContact CD2-CB 4.42Å; F69-N106 WeakPolarHBondContact CD2-O 3.39Å; F69-N106 WeakPolarHBondContact CD2-OD1 3.43Å; F69-N106 WeakPolarHBondContact CE2-OD1 3.44Å; F69-N106 WeakPolarHBondContact CG-OD1 3.48Å; E104-N106 PolarHBondContact O-N 2.96Å
107	E	90	Very high	92.6	Very high	32 Å²	32	39.2 Å²	39.2	15%	0.15	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	143.4	174.6	-68.8	-179.9	155.9	0	0	110	K65 Q67 I103 E104 D105 N109	K65-E107 WeakPolarHBondContact CD-OE2 3.43Å; K65-E107 IonicContact NZ-OE2 3.85Å; K65-E107 PolarHBondContact NZ-OE2 2.89Å; Q67-E107 PolarHBondContact NE2-OE1 3.1Å; Q67-E107 VanDerWaalsContact OE1-CG 3.31Å; I103-E107 VanDerWaalsContact CA-O 3.32Å; I103-E107 WeakPolarHBondContact CA-O 3.41Å; E104-E107 PolarHBondContact N-O 3.48Å; E104-E107 PolarHBondContact O-N 3.04Å; D105-E107 PolarHBondContact O-N 3.02Å; E107-N109 PolarHBondContact O-ND2 3.36Å
108	L	91.4	Very high	92.5	Very high	7 Å²	7	34.8 Å²	34.8	4%	0.037	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	120	161.2	170.6	67.2	0	0	0	108.2	I66 I68 I84 I103 I110	I66-L108 HydrophobicContact CB-CB 4.24Å; I66-L108 HydrophobicContact CD1-CD2 4.22Å; I66-L108 PolarHBondContact N-O 2.71Å; I66-L108 PolarHBondContact O-N 3.5Å; I68-L108 HydrophobicContact CB-CB 4.36Å; I68-L108 HydrophobicContact CD1-CB 3.89Å; I68-L108 HydrophobicContact CG1-CB 3.89Å; I68-L108 HydrophobicContact CG2-CB 3.56Å; I68-L108 HydrophobicContact CG2-CD2 3.81Å; I68-L108 HydrophobicContact CG2-CG 4.35Å; I84-L108 HydrophobicContact CD1-CD1 4.08Å; I84-L108 HydrophobicContact CD1-CD2 3.41Å; I84-L108 VanDerWaalsContact CD1-CD2 3.41Å; I84-L108 HydrophobicContact CD1-CG 4.34Å; I103-L108 HydrophobicContact CG1-CD1 4.42Å; L108-I110 HydrophobicContact CD1-CG1 4.44Å; L108-I110 HydrophobicContact CD2-CD1 4.18Å; L108-I110 HydrophobicContact CD2-CG1 4.36Å; L108-I110 HydrophobicContact CG-CD1 4.45Å; L108-I110 HydrophobicContact CG-CG1 4.11Å
109	N	94.1	Very high	92.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	127.4	177	-64.1	-81.7	0	0	0	108.7	L63 S101 F102 E104 E107	L63-N109 HydrophobicContact CD1-CB 4.17Å; S101-N109 CarbonylContact C-O 3.54Å; S101-N109 WeakPolarHBondContact CA-O 3.37Å; S101-N109 VanDerWaalsContact CB-O 3.26Å; S101-N109 WeakPolarHBondContact CB-O 3.49Å; F102-N109 HydrophobicContact CD1-CB 4.34Å; F102-N109 HydrophobicContact CD2-CB 4.17Å; F102-N109 HydrophobicContact CE1-CB 4Å; F102-N109 HydrophobicContact CE2-CB 3.84Å; F102-N109 HydrophobicContact CG-CB 4.42Å; F102-N109 HydrophobicContact CZ-CB 3.75Å; F102-N109 PolarHBondContact N-O 3.16Å; F102-N109 PolarHBondContact O-N 3.47Å; E104-N109 PolarHBondContact O-ND2 3.12Å; E107-N109 PolarHBondContact O-ND2 3.36Å
110	I	94.1	Very high	92.7	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.015	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	124.7	176.9	-57	177.3	0	0	0	108.5	K64 I66 Y98 L108 L112 L183	K64-I110 HydrophobicContact CB-CB 4.3Å; K64-I110 PolarHBondContact N-O 3.06Å; K64-I110 PolarHBondContact O-N 3.24Å; I66-I110 HydrophobicContact CD1-CD1 3.84Å; Y98-I110 HydrophobicContact CD2-CG2 4.26Å; Y98-I110 HydrophobicContact CE1-CG2 4.18Å; Y98-I110 HydrophobicContact CE2-CG2 3.46Å; Y98-I110 VanDerWaalsContact CE2-CG2 3.46Å; Y98-I110 VanDerWaalsContact CZ-CG2 3.41Å; Y98-I110 WeakPolarHBondContact OH-CG2 3.47Å; L108-I110 HydrophobicContact CD1-CG1 4.44Å; L108-I110 HydrophobicContact CD2-CD1 4.18Å; L108-I110 HydrophobicContact CD2-CG1 4.36Å; L108-I110 HydrophobicContact CG-CD1 4.45Å; L108-I110 HydrophobicContact CG-CG1 4.11Å; I110-L112 HydrophobicContact CG2-CD1 4.42Å; I110-L112 HydrophobicContact CG2-CD2 3.75Å; I110-L112 HydrophobicContact CG2-CG 3.91Å; I110-L183 HydrophobicContact CD1-CD1 3.25Å
111	V	95.8	Very high	92.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	120.5	-179.5	-168.4	0	0	0	0	109.5	Y29 F35 V61 L63 H99 A100 F102	Y29-V111 HydrophobicContact CD1-CG1 3.93Å; Y29-V111 HydrophobicContact CE1-CG1 4.41Å; F35-V111 HydrophobicContact CE1-CG1 3.91Å; F35-V111 HydrophobicContact CE1-CG2 4.35Å; F35-V111 HydrophobicContact CE2-CG2 4.28Å; F35-V111 HydrophobicContact CZ-CG1 4.06Å; F35-V111 HydrophobicContact CZ-CG2 3.79Å; V61-V111 HydrophobicContact CB-CG1 3.81Å; V61-V111 HydrophobicContact CG1-CG1 3.96Å; V61-V111 HydrophobicContact CG2-CG1 3.88Å; L63-V111 HydrophobicContact CD1-CG2 3.97Å; H99-V111 HydrophobicContact CB-CB 4.13Å; H99-V111 HydrophobicContact CB-CG1 4.03Å; H99-V111 WeakPolarHBondContact CB-O 3.46Å; H99-V111 PolarHBondContact N-O 3.42Å; A100-V111 HydrophobicContact CB-CB 4.45Å; A100-V111 HydrophobicContact CB-CG2 4.42Å; A100-V111 PolarHBondContact N-O 3.25Å; A100-V111 PolarHBondContact O-N 2.8Å; F102-V111 HydrophobicContact CE1-CG2 3.89Å
112	L	95.3	Very high	92.8	Very high	24 Å²	24	41.8 Å²	41.8	13%	0.126	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	155.3	-175.1	-58.5	175.6	0	0	0	111.1	V61 A62 I96 K97 Y98 I110 L114	V61-L112 WeakPolarHBondContact CA-O 3.31Å; V61-L112 WeakPolarHBondContact CB-O 3.11Å; A62-L112 HydrophobicContact CB-CB 4.29Å; A62-L112 PolarHBondContact N-O 3.03Å; A62-L112 PolarHBondContact O-N 2.84Å; I96-L112 HydrophobicContact CG2-CB 3.94Å; K97-L112 CarbonylContact O-C 3.52Å; K97-L112 WeakPolarHBondContact O-CA 3.5Å; Y98-L112 HydrophobicContact CD2-CD2 3.58Å; Y98-L112 HydrophobicContact CE2-CD2 4.07Å; Y98-L112 HydrophobicContact CG-CD2 4.06Å; I110-L112 HydrophobicContact CG2-CD1 4.42Å; I110-L112 HydrophobicContact CG2-CD2 3.75Å; I110-L112 HydrophobicContact CG2-CG 3.91Å; L112-L114 PolarHBondContact O-N 3.38Å
113	E	94.9	Very high	92.9	Very high	46 Å²	46	42.3 Å²	42.3	22%	0.215	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	133.5	165.3	166.3	-176.6	-167.7	0	0	109.7	I96 K97 H99 K177	I96-E113 HydrophobicContact CD1-CG 4.42Å; I96-E113 HydrophobicContact CG2-CB 4.19Å; K97-E113 HydrophobicContact CB-CB 3.83Å; K97-E113 PolarHBondContact N-OE2 3.19Å; K97-E113 PolarHBondContact O-N 3.35Å; H99-E113 PolarHBondContact CD2-N 3.38Å; E113-K177 VanDerWaalsContact CD-NZ 3.29Å; E113-K177 WeakPolarHBondContact OE1-CE 2.99Å; E113-K177 IonicContact OE1-NZ 3.48Å; E113-K177 PolarHBondContact OE1-NZ 3.17Å; E113-K177 IonicContact OE2-NZ 2.83Å; E113-K177 PolarHBondContact OE2-NZ 3.08Å
114	L	94.1	Very high	93.2	Very high	30 Å²	30	38.5 Å²	38.5	16%	0.157	20%	0.203	C	C	.	.			trans	-85.7	122.7	174.4	-176.1	68.1	0	0	0	109.9	I41 R51 A62 L112 D116	I41-L114 HydrophobicContact CD1-CD1 3.78Å; R51-L114 HydrophobicContact CG-CD2 3.98Å; A62-L114 HydrophobicContact CB-CD1 4.07Å; L112-L114 PolarHBondContact O-N 3.38Å; L114-D116 HydrophobicContact CG-CB 4.36Å
115	A	91.3	Very high	93.4	Very high	20 Å²	20	43.6 Å²	43.6	17%	0.165	22%	0.224	C	C	.	.			trans	-115	99.6	170.3	0	0	0	0	0	110.1	I96 F169	I96-A115 HydrophobicContact CD1-CB 3.73Å; A115-F169 HydrophobicContact CB-CB 3.59Å; A115-F169 HydrophobicContact CB-CD1 4.06Å; A115-F169 HydrophobicContact CB-CD2 4.4Å; A115-F169 HydrophobicContact CB-CG 3.76Å
116	D	85.2	Confident	93.8	Very high	108 Å²	108	44.2 Å²	44.2	58%	0.578	22%	0.224	S	C	*	.			trans	-110.7	0.7	-171.7	65.3	-9.3	0	0	0	114.8	R51 L114 G118	R51-D116 IonicContact NH1-OD2 3.62Å; R51-D116 PolarHBondContact NH1-OD2 3.44Å; L114-D116 HydrophobicContact CG-CB 4.36Å; D116-G118 PolarHBondContact O-N 3.25Å
117	A	88.9	Confident	94.2	Very high	48 Å²	48	41.2 Å²	41.2	40%	0.397	21%	0.207	S	C	.	.	S	Bend	trans	-74.4	-9.3	177.5	0	0	0	0	0	114.1	I170 A172	A117-I170 VanDerWaalsContact CB-O 3.27Å; A117-I170 WeakPolarHBondContact CB-O 3.34Å; A117-A172 HydrophobicContact CB-CB 4.38Å
118	G	92.4	Very high	94.6	Very high	12 Å²	12	44.8 Å²	44.8	12%	0.124	22%	0.222	C	C	.	.			trans	119.2	-174.9	177.3	0	0	0	0	0	113	D116 F169 I170	D116-G118 PolarHBondContact O-N 3.25Å; G118-F169 WeakPolarHBondContact O-CA 3.45Å; G118-I170 PolarHBondContact O-N 2.61Å
119	D	95.3	Very high	94.9	Very high	41 Å²	41	52.8 Å²	52.8	22%	0.219	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-138.6	167.8	-172.1	61.6	81.2	0	0	0	111.4	S121 R122 M123 V168 F169	D119-S121 VanDerWaalsContact C-N 3.25Å; D119-S121 PolarHBondContact O-N 2.87Å; D119-S121 VanDerWaalsContact OD1-CA 3.24Å; D119-S121 WeakPolarHBondContact OD1-CA 3.41Å; D119-S121 WeakPolarHBondContact OD1-CB 3.44Å; D119-S121 PolarHBondContact OD1-N 3.43Å; D119-R122 WeakPolarHBondContact O-CB 3.47Å; D119-R122 PolarHBondContact O-N 2.87Å; D119-R122 VanDerWaalsContact O-N 3.13Å; D119-R122 PolarHBondContact OD1-N 3.15Å; D119-M123 PolarHBondContact O-N 3.31Å; D119-M123 VanDerWaalsContact O-N 3.13Å; D119-V168 CarbonylContact C-O 3.5Å; D119-V168 VanDerWaalsContact CA-O 3.3Å; D119-V168 WeakPolarHBondContact CA-O 3.26Å; D119-F169 HydrophobicContact CB-CD1 4.34Å
120	L	96.6	Very high	95.1	Very high	3 Å²	3	58 Å²	58	2%	0.016	28%	0.281	C	S	.	.	H	α-helix	trans	-64.6	-29.5	-178.5	-172.7	65.5	0	0	0	112.1	R122 M123 I124 P165 V168 I170 L226 M230	L120-R122 VanDerWaalsContact C-N 3.35Å; L120-R122 PolarHBondContact O-N 3.03Å; L120-M123 HydrophobicContact CD1-CB 4.42Å; L120-M123 HydrophobicContact CD1-SD 4Å; L120-M123 WeakPolarHBondContact O-CB 3.22Å; L120-M123 PolarHBondContact O-N 3.43Å; L120-I124 HydrophobicContact CG-CD1 4Å; L120-I124 HydrophobicContact CG-CG1 4.48Å; L120-I124 VanDerWaalsContact O-CG1 3.29Å; L120-I124 WeakPolarHBondContact O-CG1 3.19Å; L120-I124 PolarHBondContact O-N 2.88Å; L120-P165 HydrophobicContact CB-CB 4.09Å; L120-P165 WeakPolarHBondContact CB-O 3.41Å; L120-P165 HydrophobicContact CD2-CB 4.37Å; L120-P165 HydrophobicContact CG-CB 4.23Å; L120-P165 PolarHBondContact N-O 2.85Å; L120-V168 HydrophobicContact CB-CB 4.02Å; L120-V168 HydrophobicContact CB-CG1 4.23Å; L120-V168 HydrophobicContact CD2-CB 4.38Å; L120-V168 HydrophobicContact CD2-CG1 4.32Å; L120-V168 PolarHBondContact N-O 2.84Å; L120-I170 HydrophobicContact CB-CD1 4.39Å; L120-I170 HydrophobicContact CD1-CD1 4.09Å; L120-L226 HydrophobicContact CD2-CD1 4.15Å; L120-L226 HydrophobicContact CD2-CD2 3.63Å; L120-L226 HydrophobicContact CD2-CG 4.01Å; L120-M230 HydrophobicContact CD1-CE 3.99Å; L120-M230 HydrophobicContact CD1-CG 4.26Å; L120-M230 HydrophobicContact CD1-SD 4.34Å; L120-M230 HydrophobicContact CD2-CG 3.86Å; L120-M230 HydrophobicContact CD2-SD 3.83Å; L120-M230 HydrophobicContact CG-CG 4.39Å
121	S	96.1	Very high	95.2	Very high	21 Å²	21	69.3 Å²	69.3	15%	0.147	32%	0.323	C	S	.	.	H	α-helix	trans	-63.3	-42.1	173.2	-168.9	0	0	0	0	111.1	D119 M123 I124 K125 P165	D119-S121 VanDerWaalsContact C-N 3.25Å; D119-S121 PolarHBondContact O-N 2.87Å; D119-S121 VanDerWaalsContact OD1-CA 3.24Å; D119-S121 WeakPolarHBondContact OD1-CA 3.41Å; D119-S121 WeakPolarHBondContact OD1-CB 3.44Å; D119-S121 PolarHBondContact OD1-N 3.43Å; S121-M123 VanDerWaalsContact C-N 3.34Å; S121-M123 PolarHBondContact O-N 2.96Å; S121-I124 PolarHBondContact O-N 3.38Å; S121-K125 WeakPolarHBondContact O-CB 3.39Å; S121-K125 VanDerWaalsContact O-CG 3.27Å; S121-K125 WeakPolarHBondContact O-CG 3.37Å; S121-K125 PolarHBondContact O-N 2.87Å; S121-P165 PolarHBondContact N-O 2.96Å
122	R	96.3	Very high	95.3	Very high	167 Å²	167	75.3 Å²	75.3	63%	0.63	35%	0.346	S	S	*	.	H	α-helix	trans	-62.2	-40.9	174.5	-173.1	179.6	179.1	-177.3	-0.3	111.7	D119 L120 H126	D119-R122 WeakPolarHBondContact O-CB 3.47Å; D119-R122 PolarHBondContact O-N 2.87Å; D119-R122 VanDerWaalsContact O-N 3.13Å; D119-R122 PolarHBondContact OD1-N 3.15Å; L120-R122 VanDerWaalsContact C-N 3.35Å; L120-R122 PolarHBondContact O-N 3.03Å; R122-H126 WeakPolarHBondContact O-CB 3.45Å; R122-H126 PolarHBondContact O-N 3.1Å
123	M	97	Very high	95.4	Very high	34 Å²	34	76.6 Å²	76.6	17%	0.167	35%	0.353	C	S	.	.	H	α-helix	trans	-60.9	-50.8	174.4	-179.3	178.8	-74.6	0	0	111.3	D119 L120 S121 K125 H126 F127 I134 Y142 I170	D119-M123 PolarHBondContact O-N 3.31Å; D119-M123 VanDerWaalsContact O-N 3.13Å; L120-M123 HydrophobicContact CD1-CB 4.42Å; L120-M123 HydrophobicContact CD1-SD 4Å; L120-M123 WeakPolarHBondContact O-CB 3.22Å; L120-M123 PolarHBondContact O-N 3.43Å; S121-M123 VanDerWaalsContact C-N 3.34Å; S121-M123 PolarHBondContact O-N 2.96Å; M123-K125 VanDerWaalsContact C-N 3.34Å; M123-K125 PolarHBondContact O-N 3.22Å; M123-H126 WeakPolarHBondContact O-CB 3.22Å; M123-H126 PolarHBondContact O-N 3.38Å; M123-F127 HydrophobicContact CG-CD2 4Å; M123-F127 HydrophobicContact CG-CE2 3.97Å; M123-F127 WeakPolarHBondContact O-CD2 3.4Å; M123-F127 PolarHBondContact O-N 3.18Å; M123-I134 HydrophobicContact CG-CD1 4.41Å; M123-Y142 HydrophobicContact CE-CD2 4.24Å; M123-Y142 HydrophobicContact CE-CE1 4.49Å; M123-Y142 HydrophobicContact CE-CE2 3.48Å; M123-Y142 VanDerWaalsContact CE-CE2 3.48Å; M123-Y142 HydrophobicContact SD-CD2 4.12Å; M123-Y142 HydrophobicContact SD-CE2 3.82Å; M123-I170 HydrophobicContact CE-CD1 3.51Å; M123-I170 HydrophobicContact SD-CD1 4.15Å
124	I	97.8	Very high	95.6	Very high	5 Å²	5	74.4 Å²	74.4	3%	0.026	34%	0.343	C	S	.	.	H	α-helix	trans	-59.4	-45	-180	-70.4	165.8	0	0	0	111	L120 S121 H126 F127 K128 I134 P165 E229 M230 L233	L120-I124 HydrophobicContact CG-CD1 4Å; L120-I124 HydrophobicContact CG-CG1 4.48Å; L120-I124 VanDerWaalsContact O-CG1 3.29Å; L120-I124 WeakPolarHBondContact O-CG1 3.19Å; L120-I124 PolarHBondContact O-N 2.88Å; S121-I124 PolarHBondContact O-N 3.38Å; I124-H126 VanDerWaalsContact C-N 3.31Å; I124-H126 PolarHBondContact O-N 3.05Å; I124-F127 PolarHBondContact O-N 2.92Å; I124-K128 WeakPolarHBondContact O-CB 3.33Å; I124-K128 PolarHBondContact O-N 2.93Å; I124-I134 HydrophobicContact CG1-CD1 4.21Å; I124-P165 HydrophobicContact CD1-CB 4.03Å; I124-P165 HydrophobicContact CD1-CG 3.97Å; I124-E229 HydrophobicContact CD1-CG 4.1Å; I124-M230 HydrophobicContact CD1-CG 4.39Å; I124-L233 HydrophobicContact CG2-CB 4.19Å; I124-L233 HydrophobicContact CG2-CD2 4.14Å
125	K	97.5	Very high	95.8	Very high	140 Å²	140	75.1 Å²	75.1	61%	0.609	35%	0.349	S	S	*	.	H	α-helix	trans	-59.6	-39.4	174.6	-73.9	169.8	-175.9	168.1	0	112.5	S121 M123 K129	S121-K125 WeakPolarHBondContact O-CB 3.39Å; S121-K125 VanDerWaalsContact O-CG 3.27Å; S121-K125 WeakPolarHBondContact O-CG 3.37Å; S121-K125 PolarHBondContact O-N 2.87Å; M123-K125 VanDerWaalsContact C-N 3.34Å; M123-K125 PolarHBondContact O-N 3.22Å; K125-K129 WeakPolarHBondContact O-CB 3.45Å; K125-K129 PolarHBondContact O-N 3.31Å
126	H	97.2	Very high	96.1	Very high	102 Å²	102	75.6 Å²	75.6	47%	0.472	35%	0.348	S	S	.	.	H	α-helix	trans	-61.8	-51.7	176.7	175	87.7	0	0	0	111.2	R122 M123 I124 K128 K129 Q130	R122-H126 WeakPolarHBondContact O-CB 3.45Å; R122-H126 PolarHBondContact O-N 3.1Å; M123-H126 WeakPolarHBondContact O-CB 3.22Å; M123-H126 PolarHBondContact O-N 3.38Å; I124-H126 VanDerWaalsContact C-N 3.31Å; I124-H126 PolarHBondContact O-N 3.05Å; H126-K128 VanDerWaalsContact C-N 3.33Å; H126-K128 PolarHBondContact O-N 3.38Å; H126-K129 PolarHBondContact O-N 2.94Å; H126-Q130 WeakPolarHBondContact O-CG 3.47Å; H126-Q130 PolarHBondContact O-N 2.84Å; H126-Q130 VanDerWaalsContact O-N 3.09Å
127	F	97.9	Very high	96.7	Very high	22 Å²	22	77.8 Å²	77.8	10%	0.096	35%	0.348	C	S	.	.	H	α-helix	trans	-61.4	-40.7	177.9	-85.9	-96.2	0	0	0	112.4	M123 I124 K129 Q130 R131 R132 L133 I134 L233	M123-F127 HydrophobicContact CG-CD2 4Å; M123-F127 HydrophobicContact CG-CE2 3.97Å; M123-F127 WeakPolarHBondContact O-CD2 3.4Å; M123-F127 PolarHBondContact O-N 3.18Å; I124-F127 PolarHBondContact O-N 2.92Å; F127-K129 PolarHBondContact O-N 2.8Å; F127-Q130 CarbonylContact O-C 3.49Å; F127-Q130 PolarHBondContact O-N 2.94Å; F127-Q130 VanDerWaalsContact O-N 3.15Å; F127-R131 PolarHBondContact O-N 3.06Å; F127-R131 VanDerWaalsContact O-N 3.1Å; F127-R132 CarbonylContact C-O 3.51Å; F127-R132 WeakPolarHBondContact CB-O 3.46Å; F127-R132 WeakPolarHBondContact CD1-O 3.39Å; F127-R132 PolarHBondContact O-N 3.5Å; F127-R132 VanDerWaalsContact O-N 3.16Å; F127-L133 WeakPolarHBondContact CD1-O 3.34Å; F127-I134 HydrophobicContact CB-CG1 4.04Å; F127-I134 HydrophobicContact CD1-CB 4.4Å; F127-I134 HydrophobicContact CD1-CG1 3.68Å; F127-I134 HydrophobicContact CD2-CD1 4.24Å; F127-I134 HydrophobicContact CD2-CG1 3.75Å; F127-I134 HydrophobicContact CE1-CB 4.36Å; F127-I134 HydrophobicContact CE1-CG1 3.96Å; F127-I134 HydrophobicContact CE2-CG1 4.05Å; F127-I134 HydrophobicContact CG-CD1 4.38Å; F127-I134 HydrophobicContact CG-CG1 3.55Å; F127-I134 HydrophobicContact CZ-CG1 4.14Å; F127-L233 HydrophobicContact CB-CD1 4.16Å; F127-L233 HydrophobicContact CB-CD2 3.9Å
128	K	97.1	Very high	97.1	Very high	107 Å²	107	77 Å²	77	47%	0.465	34%	0.338	S	S	.	.	H	α-helix	trans	-60.1	-44.5	175	-168.5	170.2	-168.4	155	0	112.2	I124 H126 Q130 R131 L233	I124-K128 WeakPolarHBondContact O-CB 3.33Å; I124-K128 PolarHBondContact O-N 2.93Å; H126-K128 VanDerWaalsContact C-N 3.33Å; H126-K128 PolarHBondContact O-N 3.38Å; K128-Q130 VanDerWaalsContact C-N 3.28Å; K128-Q130 PolarHBondContact O-N 2.74Å; K128-R131 PolarHBondContact O-N 3.35Å; K128-L233 HydrophobicContact CB-CB 4.29Å; K128-L233 HydrophobicContact CB-CD1 4.27Å; K128-L233 PolarHBondContact NZ-O 3.06Å
129	K	97.8	Very high	97.4	Very high	175 Å²	175	76.4 Å²	76.4	76%	0.761	33%	0.332	S	S	*	.	H	α-helix	trans	-62.4	-35.8	176.2	-175.3	177.6	178.5	-179.6	0	112.1	K125 H126 F127 R131	K125-K129 WeakPolarHBondContact O-CB 3.45Å; K125-K129 PolarHBondContact O-N 3.31Å; H126-K129 PolarHBondContact O-N 2.94Å; F127-K129 PolarHBondContact O-N 2.8Å; K129-R131 PolarHBondContact O-N 2.98Å
130	Q	97.6	Very high	97.5	Very high	111 Å²	111	74.5 Å²	74.5	52%	0.519	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-0.7	176.5	-61.7	-58.6	-33.4	0	0	113.5	H126 F127 K128 R132	H126-Q130 WeakPolarHBondContact O-CG 3.47Å; H126-Q130 PolarHBondContact O-N 2.84Å; H126-Q130 VanDerWaalsContact O-N 3.09Å; F127-Q130 CarbonylContact O-C 3.49Å; F127-Q130 PolarHBondContact O-N 2.94Å; F127-Q130 VanDerWaalsContact O-N 3.15Å; K128-Q130 VanDerWaalsContact C-N 3.28Å; K128-Q130 PolarHBondContact O-N 2.74Å; Q130-R132 PolarHBondContact O-N 3.38Å
131	R	97	Very high	97.6	Very high	239 Å²	239	78.4 Å²	78.4	90%	0.902	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	38.9	-176.3	-57.4	-176.9	178.2	-170.4	-1	112.6	F127 K128 K129	F127-R131 PolarHBondContact O-N 3.06Å; F127-R131 VanDerWaalsContact O-N 3.1Å; K128-R131 PolarHBondContact O-N 3.35Å; K129-R131 PolarHBondContact O-N 2.98Å
132	R	97.5	Very high	97.7	Very high	126 Å²	126	79 Å²	79	48%	0.475	34%	0.338	S	S	.	.			trans	-131.4	135.6	-178.5	-174.5	175	64.1	98.4	-2.6	109.7	F127 Q130 L233	F127-R132 CarbonylContact C-O 3.51Å; F127-R132 WeakPolarHBondContact CB-O 3.46Å; F127-R132 WeakPolarHBondContact CD1-O 3.39Å; F127-R132 PolarHBondContact O-N 3.5Å; F127-R132 VanDerWaalsContact O-N 3.16Å; Q130-R132 PolarHBondContact O-N 3.38Å; R132-L233 WeakPolarHBondContact O-CD1 3.38Å
133	L	98.1	Very high	97.8	Very high	52 Å²	52	71 Å²	71	27%	0.272	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-70.8	154.8	174.7	-63.6	-177.8	0	0	0	111.8	F127 P135 L233 P260 H263 Y264	F127-L133 WeakPolarHBondContact CD1-O 3.34Å; L133-P135 WeakPolarHBondContact O-CD 3.42Å; L133-L233 HydrophobicContact CD2-CD1 4.06Å; L133-L233 HydrophobicContact CD2-CG 4.24Å; L133-P260 HydrophobicContact CD1-CG 4.35Å; L133-H263 HydrophobicContact CD1-CB 4.29Å; L133-Y264 HydrophobicContact CD1-CE2 4.11Å
134	I	98.4	Very high	97.9	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-75.3	123.9	173.1	-63.7	175.1	0	0	0	107.4	M123 I124 F127 E136 T138 V139 M230 L233 Y264	M123-I134 HydrophobicContact CG-CD1 4.41Å; I124-I134 HydrophobicContact CG1-CD1 4.21Å; F127-I134 HydrophobicContact CB-CG1 4.04Å; F127-I134 HydrophobicContact CD1-CB 4.4Å; F127-I134 HydrophobicContact CD1-CG1 3.68Å; F127-I134 HydrophobicContact CD2-CD1 4.24Å; F127-I134 HydrophobicContact CD2-CG1 3.75Å; F127-I134 HydrophobicContact CE1-CB 4.36Å; F127-I134 HydrophobicContact CE1-CG1 3.96Å; F127-I134 HydrophobicContact CE2-CG1 4.05Å; F127-I134 HydrophobicContact CG-CD1 4.38Å; F127-I134 HydrophobicContact CG-CG1 3.55Å; F127-I134 HydrophobicContact CZ-CG1 4.14Å; I134-E136 PolarHBondContact O-N 3.07Å; I134-T138 HydrophobicContact CG2-CG2 3.81Å; I134-V139 HydrophobicContact CB-CG2 4.16Å; I134-V139 HydrophobicContact CG2-CG2 3.72Å; I134-M230 WeakPolarHBondContact CD1-O 3.5Å; I134-L233 HydrophobicContact CD1-CD2 4.04Å; I134-L233 HydrophobicContact CG1-CD2 3.96Å; I134-Y264 WeakPolarHBondContact O-CE1 3.3Å; I134-Y264 PolarHBondContact O-OH 3.26Å; I134-Y264 VanDerWaalsContact O-OH 3.12Å
135	P	97.9	Very high	97.9	Very high	45 Å²	45	71.2 Å²	71.2	29%	0.292	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-57.1	139.4	176.7	-25.1	34.1	0	0	0	111.3	L133 R137 T138 V139	L133-P135 WeakPolarHBondContact O-CD 3.42Å; P135-R137 VanDerWaalsContact C-N 3.28Å; P135-R137 HydrophobicContact CB-CG 4.18Å; P135-R137 PolarHBondContact O-N 3.34Å; P135-T138 WeakPolarHBondContact O-CA 3.45Å; P135-T138 VanDerWaalsContact O-CB 3.23Å; P135-T138 WeakPolarHBondContact O-CB 3.37Å; P135-T138 PolarHBondContact O-N 3.49Å; P135-V139 PolarHBondContact O-N 3.03Å; P135-V139 VanDerWaalsContact O-N 3.1Å
136	E	98.3	Very high	98	Very high	29 Å²	29	64.6 Å²	64.6	14%	0.136	28%	0.28	C	S	.	.	H	α-helix	trans	-53.8	-42.2	-176.6	-179.7	171.3	167.5	0	0	113.1	I134 T138 V139 W140 Y264 S265 L268	I134-E136 PolarHBondContact O-N 3.07Å; E136-T138 PolarHBondContact O-N 2.86Å; E136-T138 VanDerWaalsContact O-N 3.13Å; E136-V139 WeakPolarHBondContact O-CA 3.47Å; E136-V139 VanDerWaalsContact O-CB 3.32Å; E136-V139 WeakPolarHBondContact O-CB 3.24Å; E136-V139 PolarHBondContact O-N 3.15Å; E136-W140 PolarHBondContact O-N 3.4Å; E136-W140 PolarHBondContact OE1-NE1 2.88Å; E136-Y264 HydrophobicContact CB-CD1 4.08Å; E136-Y264 HydrophobicContact CB-CE1 4.47Å; E136-Y264 HydrophobicContact CG-CD1 4.48Å; E136-Y264 WeakPolarHBondContact OE2-CA 3.13Å; E136-S265 VanDerWaalsContact OE1-CB 3.25Å; E136-S265 WeakPolarHBondContact OE1-CB 3.03Å; E136-S265 PolarHBondContact OE1-OG 2.91Å; E136-S265 WeakPolarHBondContact OE2-CB 3.22Å; E136-S265 PolarHBondContact OE2-N 3.49Å; E136-S265 PolarHBondContact OE2-OG 3.18Å; E136-L268 HydrophobicContact CG-CD1 3.96Å
137	R	97.5	Very high	98.1	Very high	154 Å²	154	59.8 Å²	59.8	58%	0.581	26%	0.258	S	S	*	.	H	α-helix	trans	-53.6	-35.5	174	69.5	-179.2	-177.1	-173.3	-1.7	113.4	P135 K141	P135-R137 VanDerWaalsContact C-N 3.28Å; P135-R137 HydrophobicContact CB-CG 4.18Å; P135-R137 PolarHBondContact O-N 3.34Å; R137-K141 WeakPolarHBondContact O-CB 3.17Å; R137-K141 PolarHBondContact O-N 2.88Å
138	T	97.7	Very high	98.1	Very high	32 Å²	32	59.4 Å²	59.4	20%	0.196	26%	0.258	C	S	.	.	H	α-helix	trans	-76.5	-36.8	178.1	-56	0	0	0	0	110.4	I134 P135 E136 K141 Y142	I134-T138 HydrophobicContact CG2-CG2 3.81Å; P135-T138 WeakPolarHBondContact O-CA 3.45Å; P135-T138 VanDerWaalsContact O-CB 3.23Å; P135-T138 WeakPolarHBondContact O-CB 3.37Å; P135-T138 PolarHBondContact O-N 3.49Å; E136-T138 PolarHBondContact O-N 2.86Å; E136-T138 VanDerWaalsContact O-N 3.13Å; T138-K141 PolarHBondContact O-N 3.24Å; T138-Y142 HydrophobicContact CG2-CD2 3.88Å; T138-Y142 HydrophobicContact CG2-CE2 3.5Å; T138-Y142 VanDerWaalsContact CG2-CE2 3.5Å; T138-Y142 WeakPolarHBondContact O-CD2 3.33Å; T138-Y142 PolarHBondContact O-N 3.4Å
139	V	98.5	Very high	98.2	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-57.2	-55.2	172.5	-180	0	0	0	0	109.6	I134 P135 E136 K141 Y142 F143 L227 M230 Y264 L268	I134-V139 HydrophobicContact CB-CG2 4.16Å; I134-V139 HydrophobicContact CG2-CG2 3.72Å; P135-V139 PolarHBondContact O-N 3.03Å; P135-V139 VanDerWaalsContact O-N 3.1Å; E136-V139 WeakPolarHBondContact O-CA 3.47Å; E136-V139 VanDerWaalsContact O-CB 3.32Å; E136-V139 WeakPolarHBondContact O-CB 3.24Å; E136-V139 PolarHBondContact O-N 3.15Å; V139-K141 VanDerWaalsContact C-N 3.35Å; V139-K141 PolarHBondContact O-N 2.91Å; V139-Y142 PolarHBondContact O-N 3.18Å; V139-F143 WeakPolarHBondContact O-CB 3.4Å; V139-F143 PolarHBondContact O-N 3.35Å; V139-L227 HydrophobicContact CG1-CD1 3.53Å; V139-M230 HydrophobicContact CB-CE 4.34Å; V139-M230 HydrophobicContact CG1-CB 4.19Å; V139-M230 HydrophobicContact CG1-CE 4.05Å; V139-M230 HydrophobicContact CG1-SD 4.3Å; V139-M230 HydrophobicContact CG2-CB 4.36Å; V139-Y264 HydrophobicContact CG2-CE1 4.4Å; V139-L268 HydrophobicContact CB-CD1 4.49Å; V139-L268 HydrophobicContact CG1-CD1 4.1Å
140	W	98.6	Very high	98.2	Very high	0 Å²	0	46 Å²	46	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.2	-38.3	179.9	-67.3	122.2	0	0	0	113.3	E136 Y142 F143 V144 L268 L271 I292 A293 M296 Q297	E136-W140 PolarHBondContact O-N 3.4Å; E136-W140 PolarHBondContact OE1-NE1 2.88Å; W140-Y142 VanDerWaalsContact C-N 3.27Å; W140-Y142 PolarHBondContact O-N 3.21Å; W140-F143 AromaticContact CE3-CD1 3.92Å; W140-F143 HydrophobicContact CE3-CD1 3.92Å; W140-F143 AromaticContact CZ3-CD1 3.66Å; W140-F143 HydrophobicContact CZ3-CD1 3.66Å; W140-F143 HydrophobicContact CZ3-CE1 4.07Å; W140-F143 PolarHBondContact O-N 2.71Å; W140-V144 WeakPolarHBondContact O-CB 3.44Å; W140-V144 WeakPolarHBondContact O-CG1 3.4Å; W140-V144 PolarHBondContact O-N 2.91Å; W140-L268 HydrophobicContact CH2-CB 4.48Å; W140-L268 HydrophobicContact CZ2-CB 3.7Å; W140-L268 HydrophobicContact CZ2-CD1 4.15Å; W140-L268 HydrophobicContact CZ2-CG 4.02Å; W140-L271 HydrophobicContact CH2-CD2 3.67Å; W140-L271 HydrophobicContact CZ3-CD2 3.9Å; W140-I292 HydrophobicContact CH2-CG2 4.28Å; W140-A293 HydrophobicContact CE3-CB 4.14Å; W140-A293 HydrophobicContact CZ3-CB 4.06Å; W140-M296 HydrophobicContact CD2-CB 3.51Å; W140-M296 HydrophobicContact CD2-CG 4.37Å; W140-M296 VanDerWaalsContact CE2-CB 3.4Å; W140-M296 HydrophobicContact CE3-CB 3.99Å; W140-M296 HydrophobicContact CG-CB 3.85Å; W140-M296 HydrophobicContact CH2-CB 4.25Å; W140-M296 HydrophobicContact CH2-CG 4.11Å; W140-M296 HydrophobicContact CZ2-CB 3.79Å; W140-M296 HydrophobicContact CZ2-CE 4.39Å; W140-M296 HydrophobicContact CZ2-CG 3.71Å; W140-M296 HydrophobicContact CZ3-CB 4.34Å; W140-Q297 HydrophobicContact CB-CB 4.33Å
141	K	97.8	Very high	98.2	Very high	86 Å²	86	43.9 Å²	43.9	37%	0.374	19%	0.19	S	C	.	.	H	α-helix	trans	-53.9	-40.4	176.6	177	-178	176.3	178.9	0	113.3	R137 T138 V139 Q145	R137-K141 WeakPolarHBondContact O-CB 3.17Å; R137-K141 PolarHBondContact O-N 2.88Å; T138-K141 PolarHBondContact O-N 3.24Å; V139-K141 VanDerWaalsContact C-N 3.35Å; V139-K141 PolarHBondContact O-N 2.91Å; K141-Q145 PolarHBondContact O-NE2 3.37Å
142	Y	98.4	Very high	98.3	Very high	32 Å²	32	33.1 Å²	33.1	13%	0.125	15%	0.15	C	C	.	.	H	α-helix	trans	-91.5	-39.8	179.5	-64.2	-62.4	0	0	0	111.9	M123 T138 V139 W140 V144 Q145 L146 I170 V176	M123-Y142 HydrophobicContact CE-CD2 4.24Å; M123-Y142 HydrophobicContact CE-CE1 4.49Å; M123-Y142 HydrophobicContact CE-CE2 3.48Å; M123-Y142 VanDerWaalsContact CE-CE2 3.48Å; M123-Y142 HydrophobicContact SD-CD2 4.12Å; M123-Y142 HydrophobicContact SD-CE2 3.82Å; T138-Y142 HydrophobicContact CG2-CD2 3.88Å; T138-Y142 HydrophobicContact CG2-CE2 3.5Å; T138-Y142 VanDerWaalsContact CG2-CE2 3.5Å; T138-Y142 WeakPolarHBondContact O-CD2 3.33Å; T138-Y142 PolarHBondContact O-N 3.4Å; V139-Y142 PolarHBondContact O-N 3.18Å; W140-Y142 VanDerWaalsContact C-N 3.27Å; W140-Y142 PolarHBondContact O-N 3.21Å; Y142-V144 VanDerWaalsContact C-N 3.34Å; Y142-V144 PolarHBondContact O-N 3.36Å; Y142-Q145 PolarHBondContact O-N 2.98Å; Y142-L146 PolarHBondContact O-N 3.46Å; Y142-I170 HydrophobicContact CD1-CD1 4.42Å; Y142-I170 HydrophobicContact CE1-CD1 4.38Å; Y142-I170 HydrophobicContact CE1-CG2 3.89Å; Y142-V176 HydrophobicContact CD1-CG2 3.63Å; Y142-V176 HydrophobicContact CG-CG2 4.29Å
143	F	98.7	Very high	98.2	Very high	1 Å²	1	27.1 Å²	27.1	0%	0.004	13%	0.127	C	C	.	.	H	α-helix	trans	-62.9	-38.5	-176	-172.1	-108.1	0	0	0	112.7	V139 W140 Q145 L146 C147 L223 L226 L227 L271 V289 A293	V139-F143 WeakPolarHBondContact O-CB 3.4Å; V139-F143 PolarHBondContact O-N 3.35Å; W140-F143 AromaticContact CE3-CD1 3.92Å; W140-F143 HydrophobicContact CE3-CD1 3.92Å; W140-F143 AromaticContact CZ3-CD1 3.66Å; W140-F143 HydrophobicContact CZ3-CD1 3.66Å; W140-F143 HydrophobicContact CZ3-CE1 4.07Å; W140-F143 PolarHBondContact O-N 2.71Å; F143-Q145 VanDerWaalsContact C-N 3.32Å; F143-Q145 PolarHBondContact O-N 3.05Å; F143-L146 WeakPolarHBondContact O-CB 3.35Å; F143-L146 PolarHBondContact O-N 2.89Å; F143-C147 WeakPolarHBondContact CE1-SG 3.47Å; F143-C147 PolarHBondContact O-N 3Å; F143-C147 PolarHBondContact O-SG 2.87Å; F143-L223 HydrophobicContact CD2-CD1 4.35Å; F143-L223 HydrophobicContact CE2-CD1 3.5Å; F143-L223 HydrophobicContact CE2-CD2 4.41Å; F143-L223 HydrophobicContact CE2-CG 3.72Å; F143-L223 HydrophobicContact CZ-CD1 4.03Å; F143-L223 HydrophobicContact CZ-CD2 4.09Å; F143-L223 HydrophobicContact CZ-CG 3.8Å; F143-L226 HydrophobicContact CD2-CD2 4.5Å; F143-L227 HydrophobicContact CB-CD1 4.47Å; F143-L227 HydrophobicContact CD1-CD1 4.1Å; F143-L227 HydrophobicContact CD2-CB 4.17Å; F143-L227 HydrophobicContact CD2-CD1 3.86Å; F143-L227 HydrophobicContact CD2-CG 4.49Å; F143-L227 HydrophobicContact CE1-CD1 4.28Å; F143-L227 HydrophobicContact CE1-CD2 3.94Å; F143-L227 HydrophobicContact CE2-CB 3.64Å; F143-L227 HydrophobicContact CE2-CD1 4.07Å; F143-L227 HydrophobicContact CE2-CD2 4.3Å; F143-L227 HydrophobicContact CE2-CG 4.21Å; F143-L227 HydrophobicContact CG-CD1 3.88Å; F143-L227 HydrophobicContact CZ-CB 3.97Å; F143-L227 HydrophobicContact CZ-CD1 4.27Å; F143-L227 HydrophobicContact CZ-CD2 3.82Å; F143-L227 HydrophobicContact CZ-CG 4.24Å; F143-L271 HydrophobicContact CE1-CD2 4.02Å; F143-V289 HydrophobicContact CE1-CG1 4.06Å; F143-V289 HydrophobicContact CZ-CG1 4.12Å; F143-A293 HydrophobicContact CD1-CB 3.99Å; F143-A293 HydrophobicContact CE1-CB 4.34Å
144	V	98.7	Very high	98	Very high	7 Å²	7	25.9 Å²	25.9	4%	0.042	12%	0.12	C	C	.	.	H	α-helix	trans	-61.9	-37	176.4	68.6	0	0	0	0	113.1	W140 Y142 C147 S148 Y290 A293 K294 Q297	W140-V144 WeakPolarHBondContact O-CB 3.44Å; W140-V144 WeakPolarHBondContact O-CG1 3.4Å; W140-V144 PolarHBondContact O-N 2.91Å; Y142-V144 VanDerWaalsContact C-N 3.34Å; Y142-V144 PolarHBondContact O-N 3.36Å; V144-C147 PolarHBondContact O-N 3.41Å; V144-S148 PolarHBondContact O-N 3.46Å; V144-Y290 HydrophobicContact CG2-CD2 4.2Å; V144-Y290 HydrophobicContact CG2-CE2 3.77Å; V144-Y290 WeakPolarHBondContact O-CE2 3.41Å; V144-A293 HydrophobicContact CB-CB 4.01Å; V144-A293 HydrophobicContact CG2-CB 4.09Å; V144-K294 HydrophobicContact CG2-CB 4.44Å; V144-K294 HydrophobicContact CG2-CG 3.77Å; V144-Q297 HydrophobicContact CG1-CB 4.4Å; V144-Q297 VanDerWaalsContact CG1-CD 3.48Å; V144-Q297 HydrophobicContact CG1-CG 4.23Å
145	Q	98.7	Very high	97.9	Very high	35 Å²	35	29.2 Å²	29.2	16%	0.164	14%	0.144	C	C	.	.	H	α-helix	trans	-70.3	-38	177.1	-67.5	-179	67	0	0	111.3	N94 K141 Y142 F143 S148 A149 G174 V176	N94-Q145 VanDerWaalsContact CB-O 3.31Å; N94-Q145 WeakPolarHBondContact CB-O 3.1Å; N94-Q145 PolarHBondContact ND2-OE1 3.18Å; N94-Q145 VanDerWaalsContact ND2-OE1 3.17Å; K141-Q145 PolarHBondContact O-NE2 3.37Å; Y142-Q145 PolarHBondContact O-N 2.98Å; F143-Q145 VanDerWaalsContact C-N 3.32Å; F143-Q145 PolarHBondContact O-N 3.05Å; Q145-S148 PolarHBondContact O-N 2.94Å; Q145-A149 PolarHBondContact O-N 3.31Å; Q145-G174 PolarHBondContact NE2-O 3.24Å; Q145-V176 HydrophobicContact CB-CB 3.73Å; Q145-V176 HydrophobicContact CB-CG2 3.88Å
146	L	98.5	Very high	97.7	Very high	2 Å²	2	32 Å²	32	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-64	-42.3	172.6	177.6	60.6	0	0	0	111.4	Y142 F143 S148 A149 L150 V168 V176 L178 L223 L226	Y142-L146 PolarHBondContact O-N 3.46Å; F143-L146 WeakPolarHBondContact O-CB 3.35Å; F143-L146 PolarHBondContact O-N 2.89Å; L146-S148 VanDerWaalsContact C-N 3.35Å; L146-S148 PolarHBondContact O-N 2.84Å; L146-A149 WeakPolarHBondContact O-CB 3.48Å; L146-A149 PolarHBondContact O-N 3.43Å; L146-L150 PolarHBondContact O-N 3.42Å; L146-V168 HydrophobicContact CD1-CG1 4.49Å; L146-V168 HydrophobicContact CD1-CG2 3.98Å; L146-V168 HydrophobicContact CD2-CG2 4.19Å; L146-V176 HydrophobicContact CB-CG1 4.41Å; L146-L178 HydrophobicContact CD1-CB 4.16Å; L146-L178 HydrophobicContact CD1-CD1 3.8Å; L146-L178 HydrophobicContact CD1-CD2 4.01Å; L146-L178 HydrophobicContact CD1-CG 4.21Å; L146-L223 HydrophobicContact CD2-CD1 3.46Å; L146-L223 VanDerWaalsContact CD2-CD1 3.46Å; L146-L223 HydrophobicContact CG-CD1 3.73Å; L146-L226 HydrophobicContact CD2-CD1 3.9Å; L146-L226 HydrophobicContact CD2-CD2 3.59Å; L146-L226 HydrophobicContact CD2-CG 4.37Å
147	C	98.8	Very high	97.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.4	-42.9	174.7	-66.5	0	0	0	0	111.5	F143 V144 A149 L150 E151 I286 Y290 A293	F143-C147 WeakPolarHBondContact CE1-SG 3.47Å; F143-C147 PolarHBondContact O-N 3Å; F143-C147 PolarHBondContact O-SG 2.87Å; V144-C147 PolarHBondContact O-N 3.41Å; C147-A149 VanDerWaalsContact C-N 3.3Å; C147-A149 PolarHBondContact O-N 2.99Å; C147-L150 PolarHBondContact O-N 3.18Å; C147-E151 WeakPolarHBondContact O-CB 3.23Å; C147-E151 PolarHBondContact O-N 2.89Å; C147-I286 HydrophobicContact CB-CD1 4.47Å; C147-Y290 HydrophobicContact CB-CD2 3.63Å; C147-Y290 HydrophobicContact CB-CG 4.09Å; C147-A293 HydrophobicContact CB-CB 4.49Å
148	S	98.8	Very high	97	Very high	14 Å²	14	33.4 Å²	33.4	10%	0.098	15%	0.152	C	C	.	.	H	α-helix	trans	-60	-39.5	175.1	-165.8	0	0	0	0	112.1	H92 V144 Q145 L146 H152 Y290	H92-S148 PolarHBondContact CE1-OG 3.05Å; H92-S148 VanDerWaalsContact CE1-OG 3.24Å; H92-S148 PolarHBondContact NE2-OG 3.49Å; V144-S148 PolarHBondContact O-N 3.46Å; Q145-S148 PolarHBondContact O-N 2.94Å; L146-S148 VanDerWaalsContact C-N 3.35Å; L146-S148 PolarHBondContact O-N 2.84Å; S148-H152 WeakPolarHBondContact O-CB 3.37Å; S148-H152 PolarHBondContact O-N 3.26Å; S148-Y290 PolarHBondContact OG-OH 3.36Å
149	A	98.3	Very high	96.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.8	-47.4	175.4	0	0	0	0	0	111.9	N94 V95 Q145 L146 C147 H152 M153 L178	N94-A149 HydrophobicContact CB-CB 3.78Å; N94-A149 WeakPolarHBondContact O-CB 3.36Å; V95-A149 HydrophobicContact CG2-CB 3.81Å; Q145-A149 PolarHBondContact O-N 3.31Å; L146-A149 WeakPolarHBondContact O-CB 3.48Å; L146-A149 PolarHBondContact O-N 3.43Å; C147-A149 VanDerWaalsContact C-N 3.3Å; C147-A149 PolarHBondContact O-N 2.99Å; A149-H152 PolarHBondContact O-N 3.09Å; A149-M153 WeakPolarHBondContact O-CG 3.29Å; A149-M153 PolarHBondContact O-N 2.99Å; A149-M153 VanDerWaalsContact O-N 3.15Å; A149-L178 HydrophobicContact CB-CB 3.92Å; A149-L178 HydrophobicContact CB-CD2 4.12Å
150	L	98.1	Very high	96.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-71	-37	-176.9	-170.3	62.2	0	0	0	112.2	L146 C147 H152 M153 H154 H160 I163 D219 I220 L223 I286	L146-L150 PolarHBondContact O-N 3.42Å; C147-L150 PolarHBondContact O-N 3.18Å; L150-H152 VanDerWaalsContact C-N 3.32Å; L150-H152 PolarHBondContact O-N 3.11Å; L150-M153 PolarHBondContact O-N 3.45Å; L150-H154 WeakPolarHBondContact CD1-NE2 3.03Å; L150-H154 WeakPolarHBondContact O-CB 3.16Å; L150-H154 PolarHBondContact O-N 3.44Å; L150-H160 HydrophobicContact CD1-CB 4.14Å; L150-I163 HydrophobicContact CD1-CD1 3.83Å; L150-I163 HydrophobicContact CD2-CD1 3.74Å; L150-I163 HydrophobicContact CG-CD1 4.41Å; L150-D219 HydrophobicContact CD1-CB 4.19Å; L150-D219 HydrophobicContact CD2-CB 4.14Å; L150-I220 HydrophobicContact CD2-CD1 4.48Å; L150-L223 HydrophobicContact CD2-CB 4.46Å; L150-L223 HydrophobicContact CD2-CD2 3.95Å; L150-I286 HydrophobicContact CB-CD1 4.03Å; L150-I286 HydrophobicContact CB-CG1 4.05Å; L150-I286 HydrophobicContact CD2-CD1 3.79Å; L150-I286 HydrophobicContact CD2-CG1 4.21Å; L150-I286 HydrophobicContact CG-CD1 4.11Å; L150-I286 HydrophobicContact CG-CG1 4.05Å
151	E	98.5	Very high	95.7	Very high	68 Å²	68	35.2 Å²	35.2	32%	0.318	16%	0.157	S	C	.	.	H	α-helix	trans	-59.3	-44.3	173.7	-169.1	-81.3	167.5	0	0	111	C147 M153 H154 S155 I286 Y290	C147-E151 WeakPolarHBondContact O-CB 3.23Å; C147-E151 PolarHBondContact O-N 2.89Å; E151-M153 VanDerWaalsContact C-N 3.3Å; E151-M153 PolarHBondContact O-N 2.93Å; E151-H154 PolarHBondContact O-N 3.1Å; E151-S155 WeakPolarHBondContact O-CB 3.24Å; E151-S155 PolarHBondContact O-N 3.31Å; E151-S155 PolarHBondContact O-OG 2.92Å; E151-I286 HydrophobicContact CB-CG1 3.93Å; E151-I286 HydrophobicContact CB-CG2 4.28Å; E151-I286 HydrophobicContact CG-CG2 4.3Å; E151-Y290 HydrophobicContact CB-CD1 4.24Å; E151-Y290 HydrophobicContact CG-CD1 4.15Å
152	H	97.7	Very high	95.2	Very high	13 Å²	13	33.5 Å²	33.5	6%	0.06	15%	0.152	C	C	.	.	H	α-helix	trans	-62.6	-35.8	176	175.7	96.4	0	0	0	113	N91 H92 S148 A149 L150 S155 R156	N91-H152 PolarHBondContact N-NE2 3.41Å; N91-H152 PolarHBondContact O-CE1 3.18Å; N91-H152 PolarHBondContact O-NE2 3.29Å; H92-H152 HydrophobicContact CB-CB 4.27Å; H92-H152 AromaticContact CD2-CG 3.63Å; H92-H152 AromaticContact CD2-ND1 3.55Å; H92-H152 AromaticContact CG-CG 3.78Å; H92-H152 AromaticContact CG-ND1 3.98Å; S148-H152 WeakPolarHBondContact O-CB 3.37Å; S148-H152 PolarHBondContact O-N 3.26Å; A149-H152 PolarHBondContact O-N 3.09Å; L150-H152 VanDerWaalsContact C-N 3.32Å; L150-H152 PolarHBondContact O-N 3.11Å; H152-S155 WeakPolarHBondContact CA-OG 3.3Å; H152-S155 PolarHBondContact O-OG 3.11Å; H152-R156 PolarHBondContact CE1-NH1 3.47Å; H152-R156 PolarHBondContact CE1-NH2 2.89Å; H152-R156 PolarHBondContact ND1-NH1 2.89Å; H152-R156 PolarHBondContact NE2-NH1 3.49Å; H152-R156 PolarHBondContact O-NH1 3.13Å; H152-R156 VanDerWaalsContact O-NH1 3.09Å
153	M	95.6	Very high	94.9	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-70.5	-48.9	175.6	-69	-179.2	68.9	0	0	111.4	L90 V95 A149 L150 E151 S155 R156 R157 V158 H160 L178 L181	L90-M153 HydrophobicContact CD1-CE 4.08Å; L90-M153 HydrophobicContact CD1-CG 4Å; L90-M153 HydrophobicContact CD1-SD 4.49Å; L90-M153 HydrophobicContact CD2-CG 4.13Å; V95-M153 HydrophobicContact CG2-CG 4.35Å; A149-M153 WeakPolarHBondContact O-CG 3.29Å; A149-M153 PolarHBondContact O-N 2.99Å; A149-M153 VanDerWaalsContact O-N 3.15Å; L150-M153 PolarHBondContact O-N 3.45Å; E151-M153 VanDerWaalsContact C-N 3.3Å; E151-M153 PolarHBondContact O-N 2.93Å; M153-S155 PolarHBondContact O-N 2.99Å; M153-R156 CarbonylContact O-C 3.58Å; M153-R156 WeakPolarHBondContact O-CA 3.25Å; M153-R156 PolarHBondContact O-N 3.3Å; M153-R157 PolarHBondContact O-N 3.09Å; M153-V158 CarbonylContact C-O 3.53Å; M153-V158 VanDerWaalsContact C-O 3.3Å; M153-V158 HydrophobicContact CB-CB 4.37Å; M153-V158 HydrophobicContact CE-CG1 3.72Å; M153-V158 PolarHBondContact O-N 3.19Å; M153-H160 HydrophobicContact CE-CB 3.9Å; M153-H160 HydrophobicContact SD-CB 4.34Å; M153-L178 HydrophobicContact SD-CD2 3.88Å; M153-L181 HydrophobicContact CE-CD2 3.59Å; M153-L181 HydrophobicContact SD-CD2 4.12Å
154	H	95.6	Very high	94.6	Very high	25 Å²	25	34.9 Å²	34.9	12%	0.116	16%	0.159	C	C	.	.	H	α-helix	trans	-65.2	-37.9	-178.3	-76.2	-160.3	0	0	0	112.1	L150 E151 R156 R157 V158 F216 D219 I286	L150-H154 WeakPolarHBondContact CD1-NE2 3.03Å; L150-H154 WeakPolarHBondContact O-CB 3.16Å; L150-H154 PolarHBondContact O-N 3.44Å; E151-H154 PolarHBondContact O-N 3.1Å; H154-R156 PolarHBondContact O-N 3.26Å; H154-R157 WeakPolarHBondContact O-CA 3.32Å; H154-R157 PolarHBondContact O-N 2.95Å; H154-V158 PolarHBondContact CD2-O 3.13Å; H154-F216 HydrophobicContact CB-CD1 4.36Å; H154-F216 AromaticContact CD2-CD1 3.67Å; H154-F216 PolarHBondContact CE1-O 2.83Å; H154-F216 AromaticContact CG-CD1 3.78Å; H154-F216 AromaticContact ND1-CD1 4Å; H154-F216 AromaticContact NE2-CD1 3.8Å; H154-D219 IonicContact CD2-OD2 3.45Å; H154-D219 IonicContact CE1-OD2 2.84Å; H154-D219 IonicContact NE2-OD2 2.76Å; H154-D219 PolarHBondContact NE2-OD2 3.13Å; H154-I286 HydrophobicContact CB-CG2 3.8Å
155	S	95.8	Very high	94.5	Very high	71 Å²	71	34.8 Å²	34.8	50%	0.497	16%	0.158	S	C	.	.	H	α-helix	trans	-61.9	-22.2	173.5	58.4	0	0	0	0	113.3	E151 H152 M153	E151-S155 WeakPolarHBondContact O-CB 3.24Å; E151-S155 PolarHBondContact O-N 3.31Å; E151-S155 PolarHBondContact O-OG 2.92Å; H152-S155 WeakPolarHBondContact CA-OG 3.3Å; H152-S155 PolarHBondContact O-OG 3.11Å; M153-S155 PolarHBondContact O-N 2.99Å
156	R	93.6	Very high	94.1	Very high	102 Å²	102	35.2 Å²	35.2	39%	0.385	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	11.9	172.7	-73.5	167.8	-179.3	69.4	2	113.5	L90 H152 M153 H154 V158	L90-R156 HydrophobicContact CD2-CB 4.33Å; H152-R156 PolarHBondContact CE1-NH1 3.47Å; H152-R156 PolarHBondContact CE1-NH2 2.89Å; H152-R156 PolarHBondContact ND1-NH1 2.89Å; H152-R156 PolarHBondContact NE2-NH1 3.49Å; H152-R156 PolarHBondContact O-NH1 3.13Å; H152-R156 VanDerWaalsContact O-NH1 3.09Å; M153-R156 CarbonylContact O-C 3.58Å; M153-R156 WeakPolarHBondContact O-CA 3.25Å; M153-R156 PolarHBondContact O-N 3.3Å; H154-R156 PolarHBondContact O-N 3.26Å; R156-V158 HydrophobicContact CB-CG2 4.32Å; R156-V158 PolarHBondContact O-N 3.5Å
157	R	91.2	Very high	93.9	Very high	211 Å²	211	35.8 Å²	35.8	80%	0.796	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.5	30	-177.6	-54.7	-178.8	175	-176.5	-2.1	113.3	M153 H154 F216	M153-R157 PolarHBondContact O-N 3.09Å; H154-R157 WeakPolarHBondContact O-CA 3.32Å; H154-R157 PolarHBondContact O-N 2.95Å; R157-F216 HydrophobicContact CB-CZ 4.22Å
158	V	90	Very high	93.8	Very high	2 Å²	2	36 Å²	36	1%	0.012	17%	0.172	C	C	.	.			trans	-103.6	127.1	174.9	-178.6	0	0	0	0	109.4	L86 L87 L90 M153 H154 R156	L86-V158 HydrophobicContact CB-CG2 3.99Å; L87-V158 HydrophobicContact CD2-CG1 3.69Å; L90-V158 HydrophobicContact CD1-CG1 4.28Å; L90-V158 HydrophobicContact CD2-CB 4.47Å; L90-V158 HydrophobicContact CD2-CG2 4.24Å; M153-V158 CarbonylContact C-O 3.53Å; M153-V158 VanDerWaalsContact C-O 3.3Å; M153-V158 HydrophobicContact CB-CB 4.37Å; M153-V158 HydrophobicContact CE-CG1 3.72Å; M153-V158 PolarHBondContact O-N 3.19Å; H154-V158 PolarHBondContact CD2-O 3.13Å; R156-V158 HydrophobicContact CB-CG2 4.32Å; R156-V158 PolarHBondContact O-N 3.5Å
159	M	89.4	Confident	93.7	Very high	28 Å²	28	37.7 Å²	37.7	14%	0.138	18%	0.178	C	C	.	.			trans	-93.4	144.8	170.2	-69	173.6	-85.9	0	0	110.3	R161 Y214 N215 F216 D219	M159-R161 HydrophobicContact CB-CG 3.98Å; M159-Y214 HydrophobicContact CB-CD1 4.46Å; M159-Y214 HydrophobicContact CB-CE1 4.33Å; M159-Y214 HydrophobicContact SD-CD1 3.77Å; M159-Y214 HydrophobicContact SD-CE1 4.34Å; M159-N215 VanDerWaalsContact SD-CA 3.52Å; M159-F216 HydrophobicContact CG-CD1 3.43Å; M159-F216 VanDerWaalsContact CG-CD1 3.43Å; M159-F216 HydrophobicContact CG-CE1 3.5Å; M159-F216 VanDerWaalsContact CG-CE1 3.5Å; M159-F216 HydrophobicContact CG-CG 4Å; M159-F216 HydrophobicContact CG-CZ 4.11Å; M159-F216 HydrophobicContact SD-CD1 4.46Å; M159-F216 HydrophobicContact SD-CG 4.5Å; M159-D219 VanDerWaalsContact CA-OD2 3.28Å; M159-D219 WeakPolarHBondContact CA-OD2 3.49Å
160	H	91.2	Very high	93.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.182	C	C	.	.			trans	-80.4	-44.7	179.3	-173	-82.5	0	0	0	112.6	L150 M153 D162 I163 L178 G179 G182 D219	L150-H160 HydrophobicContact CD1-CB 4.14Å; M153-H160 HydrophobicContact CE-CB 3.9Å; M153-H160 HydrophobicContact SD-CB 4.34Å; H160-D162 PolarHBondContact CE1-O 3.28Å; H160-D162 VanDerWaalsContact ND1-C 3.28Å; H160-D162 PolarHBondContact ND1-N 3.34Å; H160-D162 PolarHBondContact O-N 2.88Å; H160-D162 VanDerWaalsContact O-N 3.08Å; H160-I163 HydrophobicContact CB-CD1 4.05Å; H160-I163 HydrophobicContact CB-CG1 3.73Å; H160-I163 WeakPolarHBondContact ND1-CG1 3.48Å; H160-I163 PolarHBondContact ND1-N 3.24Å; H160-L178 WeakPolarHBondContact NE2-CD1 3.17Å; H160-G179 PolarHBondContact CE1-O 3.26Å; H160-G179 VanDerWaalsContact CE1-O 3.31Å; H160-G179 PolarHBondContact NE2-O 3.42Å; H160-G182 WeakPolarHBondContact O-CA 3.22Å; H160-G182 PolarHBondContact O-N 3.42Å; H160-D219 WeakPolarHBondContact CB-OD1 3.41Å; H160-D219 PolarHBondContact N-OD1 3.44Å; H160-D219 PolarHBondContact N-OD2 3.18Å
161	R	87.3	Confident	93.3	Very high	42 Å²	42	40.2 Å²	40.2	16%	0.158	19%	0.192	C	C	.	.	S	Bend	trans	72	-15	174.3	-49.2	167.8	-176.3	-96.2	-2.9	117.5	E83 M159 R185 Y214 D219	E83-R161 IonicContact OE1-CZ 2.87Å; E83-R161 IonicContact OE1-NE 2.75Å; E83-R161 IonicContact OE1-NH2 3.83Å; M159-R161 HydrophobicContact CB-CG 3.98Å; R161-R185 VanDerWaalsContact NH1-CD 3.3Å; R161-Y214 HydrophobicContact CB-CD1 4.5Å; R161-Y214 HydrophobicContact CB-CE1 4.18Å; R161-Y214 HydrophobicContact CG-CD1 3.88Å; R161-Y214 HydrophobicContact CG-CE1 3.85Å; R161-Y214 HydrophobicContact CG-CG 4.45Å; R161-D219 PolarHBondContact N-OD1 3Å
162	D	86.3	Confident	92.9	Very high	50 Å²	50	41.8 Å²	41.8	27%	0.267	22%	0.217	S	C	.	.			trans	-139.4	45.7	179.5	-164.7	26.1	0	0	0	112.5	H160 K164 N167	H160-D162 PolarHBondContact CE1-O 3.28Å; H160-D162 VanDerWaalsContact ND1-C 3.28Å; H160-D162 PolarHBondContact ND1-N 3.34Å; H160-D162 PolarHBondContact O-N 2.88Å; H160-D162 VanDerWaalsContact O-N 3.08Å; D162-K164 PolarHBondContact O-N 2.85Å; D162-K164 IonicContact OD1-NZ 3.54Å; D162-K164 PolarHBondContact OD1-NZ 2.57Å; D162-K164 IonicContact OD2-NZ 3.8Å; D162-K164 PolarHBondContact OD2-NZ 2.95Å; D162-N167 VanDerWaalsContact CG-ND2 3.31Å; D162-N167 PolarHBondContact O-ND2 2.84Å; D162-N167 PolarHBondContact OD2-ND2 3.08Å
163	I	92.9	Very high	92.6	Very high	1 Å²	1	47 Å²	47	1%	0.005	25%	0.25	C	C	.	.			trans	-70.5	116.5	176.4	-59.5	175.3	0	0	0	108.6	L150 H160 Y203 D219 L226	L150-I163 HydrophobicContact CD1-CD1 3.83Å; L150-I163 HydrophobicContact CD2-CD1 3.74Å; L150-I163 HydrophobicContact CG-CD1 4.41Å; H160-I163 HydrophobicContact CB-CD1 4.05Å; H160-I163 HydrophobicContact CB-CG1 3.73Å; H160-I163 WeakPolarHBondContact ND1-CG1 3.48Å; H160-I163 PolarHBondContact ND1-N 3.24Å; I163-Y203 WeakPolarHBondContact O-CD1 3.4Å; I163-D219 HydrophobicContact CD1-CB 3.89Å; I163-L226 HydrophobicContact CG2-CD1 3.93Å
164	K	92.6	Very high	92.5	Very high	62 Å²	62	47.5 Å²	47.5	27%	0.27	26%	0.256	S	S	.	.			trans	-158.8	158.7	175.1	64.5	-169.5	178	-139.5	0	109.8	D162 A166 N167 Y203	D162-K164 PolarHBondContact O-N 2.85Å; D162-K164 IonicContact OD1-NZ 3.54Å; D162-K164 PolarHBondContact OD1-NZ 2.57Å; D162-K164 IonicContact OD2-NZ 3.8Å; D162-K164 PolarHBondContact OD2-NZ 2.95Å; K164-A166 HydrophobicContact CG-CB 4.44Å; K164-A166 PolarHBondContact O-N 3.31Å; K164-A166 VanDerWaalsContact O-N 3.08Å; K164-N167 VanDerWaalsContact CE-ND2 3.34Å; K164-N167 WeakPolarHBondContact CE-ND2 3.48Å; K164-N167 HydrophobicContact CG-CB 4.15Å; K164-N167 PolarHBondContact O-N 3.34Å; K164-Y203 HydrophobicContact CB-CD1 4.47Å; K164-Y203 HydrophobicContact CB-CD2 4Å; K164-Y203 HydrophobicContact CB-CE2 4.12Å; K164-Y203 HydrophobicContact CB-CG 4.21Å
165	P	95.1	Very high	92.5	Very high	4 Å²	4	48.7 Å²	48.7	3%	0.026	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-55.5	-32.3	-176.1	-29.8	34.9	0	0	0	114.9	L120 S121 I124 N167 V168 Y203 L226	L120-P165 HydrophobicContact CB-CB 4.09Å; L120-P165 WeakPolarHBondContact CB-O 3.41Å; L120-P165 HydrophobicContact CD2-CB 4.37Å; L120-P165 HydrophobicContact CG-CB 4.23Å; L120-P165 PolarHBondContact N-O 2.85Å; S121-P165 PolarHBondContact N-O 2.96Å; I124-P165 HydrophobicContact CD1-CB 4.03Å; I124-P165 HydrophobicContact CD1-CG 3.97Å; P165-N167 PolarHBondContact O-N 2.89Å; P165-V168 PolarHBondContact O-N 2.79Å; P165-Y203 WeakPolarHBondContact CD-OH 3.27Å; P165-Y203 WeakPolarHBondContact CG-OH 3.36Å; P165-L226 HydrophobicContact CG-CD1 4.39Å; P165-L226 HydrophobicContact CG-CG 4.33Å
166	A	91.8	Very high	92.6	Very high	45 Å²	45	45.3 Å²	45.3	37%	0.372	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-69.4	-18.5	177.8	0	0	0	0	0	113.8	K164	K164-A166 HydrophobicContact CG-CB 4.44Å; K164-A166 PolarHBondContact O-N 3.31Å; K164-A166 VanDerWaalsContact O-N 3.08Å
167	N	93.3	Very high	92.8	Very high	13 Å²	13	41.7 Å²	41.7	7%	0.07	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-101.9	4.2	178.8	-71.8	-2.4	0	0	0	112.4	D162 K164 P165 G179 D180	D162-N167 VanDerWaalsContact CG-ND2 3.31Å; D162-N167 PolarHBondContact O-ND2 2.84Å; D162-N167 PolarHBondContact OD2-ND2 3.08Å; K164-N167 VanDerWaalsContact CE-ND2 3.34Å; K164-N167 WeakPolarHBondContact CE-ND2 3.48Å; K164-N167 HydrophobicContact CG-CB 4.15Å; K164-N167 PolarHBondContact O-N 3.34Å; P165-N167 PolarHBondContact O-N 2.89Å; N167-G179 PolarHBondContact O-N 3.11Å; N167-D180 HydrophobicContact CB-CB 4.41Å
168	V	96.8	Very high	93.1	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.024	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	96	176.4	-178.4	0	0	0	0	108.1	D119 L120 L146 P165 V176 L178 L226	D119-V168 CarbonylContact C-O 3.5Å; D119-V168 VanDerWaalsContact CA-O 3.3Å; D119-V168 WeakPolarHBondContact CA-O 3.26Å; L120-V168 HydrophobicContact CB-CB 4.02Å; L120-V168 HydrophobicContact CB-CG1 4.23Å; L120-V168 HydrophobicContact CD2-CB 4.38Å; L120-V168 HydrophobicContact CD2-CG1 4.32Å; L120-V168 PolarHBondContact N-O 2.84Å; L146-V168 HydrophobicContact CD1-CG1 4.49Å; L146-V168 HydrophobicContact CD1-CG2 3.98Å; L146-V168 HydrophobicContact CD2-CG2 4.19Å; P165-V168 PolarHBondContact O-N 2.79Å; V168-V176 HydrophobicContact CG1-CG1 3.5Å; V168-V176 VanDerWaalsContact CG1-CG1 3.5Å; V168-L178 HydrophobicContact CG2-CD1 4.12Å; V168-L226 HydrophobicContact CG2-CD1 3.76Å
169	F	96.5	Very high	93.1	Very high	51 Å²	51	31.6 Å²	31.6	22%	0.224	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	148.9	-178.4	-56	-84.9	0	0	0	111.1	I96 A115 G118 D119 V176 K177	I96-F169 HydrophobicContact CD1-CD2 4.06Å; I96-F169 HydrophobicContact CG1-CD2 4.04Å; I96-F169 HydrophobicContact CG1-CE2 4.39Å; A115-F169 HydrophobicContact CB-CB 3.59Å; A115-F169 HydrophobicContact CB-CD1 4.06Å; A115-F169 HydrophobicContact CB-CD2 4.4Å; A115-F169 HydrophobicContact CB-CG 3.76Å; G118-F169 WeakPolarHBondContact O-CA 3.45Å; D119-F169 HydrophobicContact CB-CD1 4.34Å; F169-V176 CarbonylContact O-C 3.56Å; F169-V176 WeakPolarHBondContact O-CA 3.43Å; F169-K177 HydrophobicContact CB-CB 4.17Å; F169-K177 WeakPolarHBondContact CD2-O 3.39Å; F169-K177 PolarHBondContact N-O 2.75Å; F169-K177 PolarHBondContact O-N 3.29Å
170	I	95.3	Very high	92.5	Very high	18 Å²	18	32.9 Å²	32.9	9%	0.092	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	115.5	178.2	-54.3	176	0	0	0	107.4	A117 G118 L120 M123 Y142	A117-I170 VanDerWaalsContact CB-O 3.27Å; A117-I170 WeakPolarHBondContact CB-O 3.34Å; G118-I170 PolarHBondContact O-N 2.61Å; L120-I170 HydrophobicContact CB-CD1 4.39Å; L120-I170 HydrophobicContact CD1-CD1 4.09Å; M123-I170 HydrophobicContact CE-CD1 3.51Å; M123-I170 HydrophobicContact SD-CD1 4.15Å; Y142-I170 HydrophobicContact CD1-CD1 4.42Å; Y142-I170 HydrophobicContact CE1-CD1 4.38Å; Y142-I170 HydrophobicContact CE1-CG2 3.89Å
171	T	93.1	Very high	91.4	Very high	34 Å²	34	33.6 Å²	33.6	21%	0.209	20%	0.201	C	C	.	.			trans	-68.3	163.8	176.4	62.9	0	0	0	0	111.4	T173 G174 V175 K177	T171-T173 PolarHBondContact O-N 2.85Å; T171-T173 VanDerWaalsContact O-N 3.14Å; T171-T173 PolarHBondContact OG1-OG1 2.9Å; T171-G174 PolarHBondContact O-N 2.69Å; T171-V175 HydrophobicContact CG2-CB 4.33Å; T171-V175 PolarHBondContact N-O 3.25Å; T171-V175 WeakPolarHBondContact OG1-CA 3.49Å; T171-V175 VanDerWaalsContact OG1-CB 3.3Å; T171-V175 WeakPolarHBondContact OG1-CB 3.42Å; T171-V175 PolarHBondContact OG1-N 3.3Å; T171-V175 PolarHBondContact OG1-O 3.34Å; T171-V175 VanDerWaalsContact OG1-O 3.08Å; T171-K177 HydrophobicContact CG2-CG 4.22Å
172	A	90.3	Very high	90.2	Very high	102 Å²	102	31.9 Å²	31.9	84%	0.843	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-25.9	177.5	0	0	0	0	0	113.4	A117 G174	A117-A172 HydrophobicContact CB-CB 4.38Å; A172-G174 VanDerWaalsContact C-N 3.3Å
173	T	91.2	Very high	89.4	Confident	121 Å²	121	29.8 Å²	29.8	74%	0.742	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	1	176	55.3	0	0	0	0	113.2	T171	T171-T173 PolarHBondContact O-N 2.85Å; T171-T173 VanDerWaalsContact O-N 3.14Å; T171-T173 PolarHBondContact OG1-OG1 2.9Å
174	G	92.5	Very high	88	Confident	12 Å²	12	32 Å²	32	12%	0.124	21%	0.208	C	C	.	.	S	Bend	trans	82.5	14.7	178.5	0	0	0	0	0	114.9	Q145 T171 A172	Q145-G174 PolarHBondContact NE2-O 3.24Å; T171-G174 PolarHBondContact O-N 2.69Å; A172-G174 VanDerWaalsContact C-N 3.3Å
175	V	96.7	Very high	86.8	Confident	49 Å²	49	33.6 Å²	33.6	30%	0.297	21%	0.212	S	C	.	.			trans	-78.5	129.6	171.3	-179.4	0	0	0	0	109.7	T171	T171-V175 HydrophobicContact CG2-CB 4.33Å; T171-V175 PolarHBondContact N-O 3.25Å; T171-V175 WeakPolarHBondContact OG1-CA 3.49Å; T171-V175 VanDerWaalsContact OG1-CB 3.3Å; T171-V175 WeakPolarHBondContact OG1-CB 3.42Å; T171-V175 PolarHBondContact OG1-N 3.3Å; T171-V175 PolarHBondContact OG1-O 3.34Å; T171-V175 VanDerWaalsContact OG1-O 3.08Å
176	V	97.9	Very high	85.3	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	139.7	174.4	176.5	0	0	0	0	110.3	N94 Y142 Q145 L146 V168 F169	N94-V176 WeakPolarHBondContact CA-O 3.36Å; N94-V176 WeakPolarHBondContact CB-O 3.48Å; N94-V176 PolarHBondContact ND2-O 2.87Å; Y142-V176 HydrophobicContact CD1-CG2 3.63Å; Y142-V176 HydrophobicContact CG-CG2 4.29Å; Q145-V176 HydrophobicContact CB-CB 3.73Å; Q145-V176 HydrophobicContact CB-CG2 3.88Å; L146-V176 HydrophobicContact CB-CG1 4.41Å; V168-V176 HydrophobicContact CG1-CG1 3.5Å; V168-V176 VanDerWaalsContact CG1-CG1 3.5Å; F169-V176 CarbonylContact O-C 3.56Å; F169-V176 WeakPolarHBondContact O-CA 3.43Å
177	K	97.8	Very high	83.7	Confident	26 Å²	26	32.9 Å²	32.9	11%	0.113	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	111.5	174	-68	-79.8	-174.3	159.9	0	109.5	P93 N94 I96 E113 F169 T171	P93-K177 VanDerWaalsContact O-CD 3.26Å; P93-K177 WeakPolarHBondContact O-CD 3.45Å; P93-K177 WeakPolarHBondContact O-CE 3.09Å; P93-K177 PolarHBondContact O-NZ 3.32Å; P93-K177 VanDerWaalsContact O-NZ 3.12Å; N94-K177 CarbonylContact O-C 3.58Å; N94-K177 WeakPolarHBondContact O-CA 3.39Å; I96-K177 HydrophobicContact CD1-CB 3.64Å; I96-K177 HydrophobicContact CD1-CD 4.47Å; I96-K177 HydrophobicContact CD1-CG 4.26Å; I96-K177 HydrophobicContact CG1-CB 4.05Å; E113-K177 VanDerWaalsContact CD-NZ 3.29Å; E113-K177 WeakPolarHBondContact OE1-CE 2.99Å; E113-K177 IonicContact OE1-NZ 3.48Å; E113-K177 PolarHBondContact OE1-NZ 3.17Å; E113-K177 IonicContact OE2-NZ 2.83Å; E113-K177 PolarHBondContact OE2-NZ 3.08Å; F169-K177 HydrophobicContact CB-CB 4.17Å; F169-K177 WeakPolarHBondContact CD2-O 3.39Å; F169-K177 PolarHBondContact N-O 2.75Å; F169-K177 PolarHBondContact O-N 3.29Å; T171-K177 HydrophobicContact CG2-CG 4.22Å
178	L	96.6	Very high	81.8	Confident	0 Å²	0	33 Å²	33	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	123.2	172.5	-178.5	58.2	0	0	0	109.4	N94 I96 L146 A149 M153 H160 V168	N94-L178 PolarHBondContact O-N 3.31Å; I96-L178 PolarHBondContact N-O 3.43Å; L146-L178 HydrophobicContact CD1-CB 4.16Å; L146-L178 HydrophobicContact CD1-CD1 3.8Å; L146-L178 HydrophobicContact CD1-CD2 4.01Å; L146-L178 HydrophobicContact CD1-CG 4.21Å; A149-L178 HydrophobicContact CB-CB 3.92Å; A149-L178 HydrophobicContact CB-CD2 4.12Å; M153-L178 HydrophobicContact SD-CD2 3.88Å; H160-L178 WeakPolarHBondContact NE2-CD1 3.17Å; V168-L178 HydrophobicContact CG2-CD1 4.12Å
179	G	91.1	Very high	79.3	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	24%	0.242	C	C	.	.			trans	-133.6	-176.2	-177	0	0	0	0	0	114	H160 N167	H160-G179 PolarHBondContact CE1-O 3.26Å; H160-G179 VanDerWaalsContact CE1-O 3.31Å; H160-G179 PolarHBondContact NE2-O 3.42Å; N167-G179 PolarHBondContact O-N 3.11Å
180	D	77	Confident	76.9	Confident	56 Å²	56	43.8 Å²	43.8	30%	0.299	26%	0.264	S	S	.	.	S	Bend	trans	57.3	64.1	-171.4	-157.4	20.1	0	0	0	113.4	K64 N167 G182	K64-D180 IonicContact NZ-OD1 2.79Å; K64-D180 PolarHBondContact NZ-OD1 3.27Å; N167-D180 HydrophobicContact CB-CB 4.41Å; D180-G182 PolarHBondContact O-N 2.8Å
181	L	66.8	Low	74.8	Confident	14 Å²	14	44.5 Å²	44.5	7%	0.073	27%	0.27	C	S	.	.			trans	-67	87.7	-175.7	-60.6	164.3	0	0	0	111.6	L87 L90 V95 Y98 M153 L183	L87-L181 HydrophobicContact CB-CD1 4.43Å; L87-L181 HydrophobicContact CD1-CB 3.77Å; L87-L181 HydrophobicContact CD2-CB 3.75Å; L87-L181 HydrophobicContact CD2-CD1 4.16Å; L87-L181 HydrophobicContact CD2-CD2 4.32Å; L87-L181 HydrophobicContact CD2-CG 4.29Å; L87-L181 HydrophobicContact CG-CB 4.33Å; L90-L181 HydrophobicContact CD1-CD1 4.39Å; L90-L181 HydrophobicContact CD1-CD2 3.99Å; V95-L181 HydrophobicContact CG1-CD2 4.22Å; Y98-L181 HydrophobicContact CD2-CD1 4.26Å; M153-L181 HydrophobicContact CE-CD2 3.59Å; M153-L181 HydrophobicContact SD-CD2 4.12Å; L181-L183 WeakPolarHBondContact O-CG 3.45Å; L181-L183 PolarHBondContact O-N 3.28Å
182	G	63.8	Low	72.5	Confident	7 Å²	7	45.1 Å²	45.1	7%	0.072	27%	0.274	C	S	.	.	S	Bend	trans	55.9	-4.7	146.4	0	0	0	0	0	121.6	H160 D180 G184	H160-G182 WeakPolarHBondContact O-CA 3.22Å; H160-G182 PolarHBondContact O-N 3.42Å; D180-G182 PolarHBondContact O-N 2.8Å; G182-G184 PolarHBondContact O-N 2.88Å; G182-G184 VanDerWaalsContact O-N 3.11Å
183	L	68.3	Low	70.1	Confident	5 Å²	5	43.3 Å²	43.3	3%	0.026	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-67.4	-16.5	-174.3	-66	177.4	0	0	0	113	I66 E83 I84 L87 I110 L181 R185 F186 F187	I66-L183 HydrophobicContact CD1-CD1 4.41Å; E83-L183 HydrophobicContact CB-CD2 4.3Å; E83-L183 HydrophobicContact CG-CD2 4.18Å; I84-L183 HydrophobicContact CD1-CD1 4.38Å; I84-L183 HydrophobicContact CG1-CD1 4.09Å; I84-L183 HydrophobicContact CG1-CD2 3.88Å; L87-L183 HydrophobicContact CD1-CD1 4.49Å; L87-L183 HydrophobicContact CD1-CD2 3.89Å; L87-L183 HydrophobicContact CD1-CG 4.03Å; I110-L183 HydrophobicContact CD1-CD1 3.25Å; L181-L183 WeakPolarHBondContact O-CG 3.45Å; L181-L183 PolarHBondContact O-N 3.28Å; L183-R185 PolarHBondContact O-N 2.87Å; L183-F186 HydrophobicContact CD2-CD2 4.26Å; L183-F186 HydrophobicContact CD2-CE2 4.31Å; L183-F186 PolarHBondContact O-N 3.4Å; L183-F187 HydrophobicContact CB-CE2 3.53Å; L183-F187 HydrophobicContact CB-CZ 3.81Å; L183-F187 WeakPolarHBondContact O-CD2 3.39Å; L183-F187 WeakPolarHBondContact O-CE2 3.47Å
184	G	63.9	Low	67.6	Low	47 Å²	47	38.3 Å²	38.3	49%	0.485	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-42.6	-37	178.8	0	0	0	0	0	115.1	G182 F186 F187	G182-G184 PolarHBondContact O-N 2.88Å; G182-G184 VanDerWaalsContact O-N 3.11Å; G184-F186 VanDerWaalsContact C-N 3.32Å; G184-F186 PolarHBondContact O-N 2.84Å; G184-F187 PolarHBondContact O-N 2.82Å
185	R	66.8	Low	65.3	Low	96 Å²	96	41.1 Å²	41.1	36%	0.362	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-65.1	-28.4	-177.9	57.6	141.7	169.1	171.7	3.1	114.9	E83 R161 L183 F187	E83-R185 IonicContact OE1-CZ 2.61Å; E83-R185 IonicContact OE1-NE 2.69Å; E83-R185 IonicContact OE1-NH2 3.67Å; E83-R185 PolarHBondContact OE1-NH2 3.25Å; E83-R185 IonicContact OE2-NH2 3.75Å; E83-R185 PolarHBondContact OE2-NH2 3.24Å; R161-R185 VanDerWaalsContact NH1-CD 3.3Å; L183-R185 PolarHBondContact O-N 2.87Å; R185-F187 VanDerWaalsContact C-N 3.31Å
186	F	63.6	Low	62.6	Low	22 Å²	22	42 Å²	42	10%	0.096	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-79.8	-20.2	-178.1	-63.8	-71.2	0	0	0	112.3	M72 D79 C80 E83 L183 G184	M72-F186 HydrophobicContact CE-CB 3.48Å; M72-F186 VanDerWaalsContact CE-CB 3.48Å; M72-F186 HydrophobicContact SD-CB 4.29Å; D79-F186 HydrophobicContact CB-CD1 4.29Å; D79-F186 HydrophobicContact CB-CE1 3.6Å; D79-F186 HydrophobicContact CB-CZ 4.38Å; D79-F186 WeakPolarHBondContact O-CZ 3.36Å; C80-F186 HydrophobicContact CB-CB 4.06Å; C80-F186 HydrophobicContact CB-CD1 4.19Å; C80-F186 HydrophobicContact CB-CD2 4.03Å; C80-F186 HydrophobicContact CB-CG 3.83Å; E83-F186 HydrophobicContact CB-CE2 3.55Å; E83-F186 HydrophobicContact CB-CZ 3.79Å; E83-F186 HydrophobicContact CG-CE2 3.87Å; E83-F186 HydrophobicContact CG-CZ 4.35Å; L183-F186 HydrophobicContact CD2-CD2 4.26Å; L183-F186 HydrophobicContact CD2-CE2 4.31Å; L183-F186 PolarHBondContact O-N 3.4Å; G184-F186 VanDerWaalsContact C-N 3.32Å; G184-F186 PolarHBondContact O-N 2.84Å
187	F	59	Low	59.6	Low	12 Å²	12	49.1 Å²	49.1	5%	0.053	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-90.7	-2.2	-175.8	-47.1	-62.3	0	0	0	113.2	F46 I66 I68 M72 L183 G184 R185	F46-F187 HydrophobicContact CB-CB 3.69Å; F46-F187 HydrophobicContact CB-CD1 4.49Å; F46-F187 HydrophobicContact CB-CD2 4.4Å; F46-F187 HydrophobicContact CB-CG 3.96Å; F46-F187 HydrophobicContact CD1-CB 4.25Å; F46-F187 HydrophobicContact CD2-CB 3.37Å; F46-F187 HydrophobicContact CD2-CG 4.34Å; F46-F187 WeakPolarHBondContact CE1-O 3.35Å; F46-F187 HydrophobicContact CE2-CB 4Å; F46-F187 WeakPolarHBondContact CE2-O 3.31Å; F46-F187 HydrophobicContact CG-CB 3.5Å; F46-F187 HydrophobicContact CG-CG 4.32Å; F46-F187 WeakPolarHBondContact CZ-O 3.38Å; I66-F187 HydrophobicContact CD1-CE1 4.3Å; I66-F187 HydrophobicContact CD1-CE2 4.24Å; I66-F187 HydrophobicContact CD1-CZ 3.63Å; I66-F187 HydrophobicContact CG2-CD1 3.86Å; I66-F187 HydrophobicContact CG2-CE1 3.21Å; I66-F187 HydrophobicContact CG2-CZ 3.64Å; I68-F187 HydrophobicContact CG2-CE1 4.29Å; M72-F187 HydrophobicContact CE-CD1 3.03Å; M72-F187 HydrophobicContact CE-CE1 2.95Å; M72-F187 HydrophobicContact CE-CG 4.1Å; M72-F187 HydrophobicContact CE-CZ 4.01Å; L183-F187 HydrophobicContact CB-CE2 3.53Å; L183-F187 HydrophobicContact CB-CZ 3.81Å; L183-F187 WeakPolarHBondContact O-CD2 3.39Å; L183-F187 WeakPolarHBondContact O-CE2 3.47Å; G184-F187 PolarHBondContact O-N 2.82Å; R185-F187 VanDerWaalsContact C-N 3.31Å
188	S	52.5	Low	57.1	Low	15 Å²	15	52.7 Å²	52.7	11%	0.105	31%	0.309	C	S	.	.			trans	-146.1	97.7	178.5	178.6	0	0	0	0	111.1	K190 T191	S188-K190 PolarHBondContact O-N 3.01Å; S188-T191 WeakPolarHBondContact O-CG2 3.37Å; S188-T191 WeakPolarHBondContact OG-CA 3.28Å; S188-T191 PolarHBondContact OG-N 2.96Å
189	S	44	Very low	55.1	Low	124 Å²	124	54.9 Å²	54.9	87%	0.867	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-0.4	167.3	50.7	0	0	0	0	113.2
190	K	46.3	Very low	53.6	Low	158 Å²	158	57.6 Å²	57.6	69%	0.687	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.2	48.7	-179.8	-63.1	-175.1	179.4	-179.4	0	111.5	S188 T192 A193 A194	S188-K190 PolarHBondContact O-N 3.01Å; K190-T192 PolarHBondContact O-N 2.81Å; K190-A193 PolarHBondContact O-N 3.05Å; K190-A194 WeakPolarHBondContact O-CB 3.4Å; K190-A194 PolarHBondContact O-N 3.34Å; K190-A194 VanDerWaalsContact O-N 3.12Å
191	T	51.9	Low	53.5	Low	34 Å²	34	56 Å²	56	21%	0.209	34%	0.341	C	S	.	.	H	α-helix	trans	-64.8	-36.5	-165.8	17.4	0	0	0	0	114.3	S188 H195	S188-T191 WeakPolarHBondContact O-CG2 3.37Å; S188-T191 WeakPolarHBondContact OG-CA 3.28Å; S188-T191 PolarHBondContact OG-N 2.96Å; T191-H195 WeakPolarHBondContact O-CB 3.36Å; T191-H195 PolarHBondContact O-CD2 3.32Å; T191-H195 PolarHBondContact O-N 3.36Å
192	T	44.5	Very low	54.3	Low	47 Å²	47	57.9 Å²	57.9	29%	0.288	35%	0.347	S	S	.	.	H	α-helix	trans	-63.7	-46.4	179.7	27	0	0	0	0	112.1	K190 E211	K190-T192 PolarHBondContact O-N 2.81Å; T192-E211 WeakPolarHBondContact CB-OE1 3.34Å; T192-E211 HydrophobicContact CG2-CG 3.83Å; T192-E211 WeakPolarHBondContact CG2-OE1 3.38Å; T192-E211 PolarHBondContact OG1-OE1 3.37Å
193	A	39.4	Very low	55.5	Low	63 Å²	63	59 Å²	59	52%	0.521	35%	0.35	S	S	.	.	H	α-helix	trans	-72.8	-37.9	178.5	0	0	0	0	0	112.5	K190 S196	K190-A193 PolarHBondContact O-N 3.05Å; A193-S196 PolarHBondContact O-N 2.78Å; A193-S196 PolarHBondContact O-OG 3.49Å
194	A	39.8	Very low	56.3	Low	17 Å²	17	59.9 Å²	59.9	14%	0.14	35%	0.354	C	S	.	.	H	α-helix	trans	-73.8	-32	-177.4	0	0	0	0	0	113.7	K190 S196 L197	K190-A194 WeakPolarHBondContact O-CB 3.4Å; K190-A194 PolarHBondContact O-N 3.34Å; K190-A194 VanDerWaalsContact O-N 3.12Å; A194-S196 VanDerWaalsContact C-N 3.26Å; A194-S196 PolarHBondContact O-N 2.87Å; A194-L197 PolarHBondContact O-N 3.21Å
195	H	43.7	Very low	57.5	Low	70 Å²	70	57.7 Å²	57.7	32%	0.324	33%	0.331	S	S	.	.	H	α-helix	trans	-67.2	-27.9	176	-78.3	-57.9	0	0	0	112.4	T191 L197 V198 G199	T191-H195 WeakPolarHBondContact O-CB 3.36Å; T191-H195 PolarHBondContact O-CD2 3.32Å; T191-H195 PolarHBondContact O-N 3.36Å; H195-L197 PolarHBondContact O-N 3.09Å; H195-V198 PolarHBondContact O-N 3.4Å; H195-G199 PolarHBondContact O-N 3.15Å
196	S	40.5	Very low	58.6	Low	68 Å²	68	53.6 Å²	53.6	48%	0.476	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-20.8	176.4	75.7	0	0	0	0	114	A193 A194	A193-S196 PolarHBondContact O-N 2.78Å; A193-S196 PolarHBondContact O-OG 3.49Å; A194-S196 VanDerWaalsContact C-N 3.26Å; A194-S196 PolarHBondContact O-N 2.87Å
197	L	35.5	Very low	59.7	Low	150 Å²	150	53.2 Å²	53.2	79%	0.785	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-15.8	-178.2	-80.3	153.3	0	0	0	114.2	A194 H195	A194-L197 PolarHBondContact O-N 3.21Å; H195-L197 PolarHBondContact O-N 3.09Å
198	V	44.7	Very low	60.8	Low	101 Å²	101	55.4 Å²	55.4	61%	0.612	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.4	-5.6	-168.5	-172.3	0	0	0	0	113.3	H195	H195-V198 PolarHBondContact O-N 3.4Å
199	G	53.8	Low	62.1	Low	46 Å²	46	56 Å²	56	47%	0.474	33%	0.325	S	S	.	.			trans	151.4	164.5	170.6	0	0	0	0	0	113.2	H195 P201	H195-G199 PolarHBondContact O-N 3.15Å; G199-P201 WeakPolarHBondContact O-CD 3.45Å
200	T	59	Low	63.6	Low	57 Å²	57	54.6 Å²	54.6	35%	0.35	31%	0.305	S	S	.	.			trans	-74.2	117.1	-179.6	-47.7	0	0	0	0	110.5	Y202 L247	T200-Y202 VanDerWaalsContact C-N 3.3Å; T200-Y202 VanDerWaalsContact CB-CZ 3.48Å; T200-Y202 HydrophobicContact CG2-CD1 3.93Å; T200-Y202 HydrophobicContact CG2-CD2 4.49Å; T200-Y202 HydrophobicContact CG2-CE1 3.37Å; T200-Y202 HydrophobicContact CG2-CE2 4.03Å; T200-Y202 HydrophobicContact CG2-CG 4.44Å; T200-Y202 VanDerWaalsContact CG2-CZ 3.43Å; T200-Y202 VanDerWaalsContact O-CD2 3.27Å; T200-Y202 WeakPolarHBondContact O-CD2 3.38Å; T200-Y202 PolarHBondContact O-N 3.43Å; T200-L247 HydrophobicContact CG2-CD2 3.63Å
201	P	75.9	Confident	64.8	Low	24 Å²	24	53.6 Å²	53.6	16%	0.156	30%	0.302	C	S	.	.			trans	-84.2	68.4	-169.9	35.8	-37.8	0	0	0	112.3	G199 Y203 M204 L244 L247	G199-P201 WeakPolarHBondContact O-CD 3.45Å; P201-Y203 PolarHBondContact O-N 3.1Å; P201-M204 HydrophobicContact CB-CB 4.12Å; P201-M204 HydrophobicContact CB-CE 3.68Å; P201-M204 HydrophobicContact CB-SD 4.45Å; P201-M204 HydrophobicContact CG-CB 4.44Å; P201-M204 HydrophobicContact CG-CE 3.79Å; P201-M204 HydrophobicContact CG-SD 4.16Å; P201-M204 VanDerWaalsContact O-CB 3.22Å; P201-M204 WeakPolarHBondContact O-CB 3.43Å; P201-M204 PolarHBondContact O-N 3.24Å; P201-L244 HydrophobicContact CG-CD1 4.05Å; P201-L247 HydrophobicContact CG-CD2 4.11Å
202	Y	84.1	Confident	65.6	Low	53 Å²	53	58.1 Å²	58.1	21%	0.208	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-14.7	-173.4	-69.8	-57.3	0	0	0	117.2	T200 S235 Y238 L247	T200-Y202 VanDerWaalsContact C-N 3.3Å; T200-Y202 VanDerWaalsContact CB-CZ 3.48Å; T200-Y202 HydrophobicContact CG2-CD1 3.93Å; T200-Y202 HydrophobicContact CG2-CD2 4.49Å; T200-Y202 HydrophobicContact CG2-CE1 3.37Å; T200-Y202 HydrophobicContact CG2-CE2 4.03Å; T200-Y202 HydrophobicContact CG2-CG 4.44Å; T200-Y202 VanDerWaalsContact CG2-CZ 3.43Å; T200-Y202 VanDerWaalsContact O-CD2 3.27Å; T200-Y202 WeakPolarHBondContact O-CD2 3.38Å; T200-Y202 PolarHBondContact O-N 3.43Å; Y202-S235 WeakPolarHBondContact CB-OG 3.42Å; Y202-Y238 HydrophobicContact CE1-CD2 4.08Å; Y202-Y238 HydrophobicContact CE2-CD2 4.37Å; Y202-Y238 AromaticContact CZ-CD2 3.75Å; Y202-L247 HydrophobicContact CD1-CD1 4.3Å
203	Y	88.1	Confident	66.8	Low	30 Å²	30	57.9 Å²	57.9	12%	0.118	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	4.5	-177.3	-68	-95.9	0	0	0	112.7	I163 K164 P165 P201 S222 C225 L226 E229	I163-Y203 WeakPolarHBondContact O-CD1 3.4Å; K164-Y203 HydrophobicContact CB-CD1 4.47Å; K164-Y203 HydrophobicContact CB-CD2 4Å; K164-Y203 HydrophobicContact CB-CE2 4.12Å; K164-Y203 HydrophobicContact CB-CG 4.21Å; P165-Y203 WeakPolarHBondContact CD-OH 3.27Å; P165-Y203 WeakPolarHBondContact CG-OH 3.36Å; P201-Y203 PolarHBondContact O-N 3.1Å; Y203-S222 PolarHBondContact O-OG 2.66Å; Y203-C225 HydrophobicContact CD1-CB 3.6Å; Y203-C225 HydrophobicContact CE1-CB 3.77Å; Y203-C225 HydrophobicContact CG-CB 4.46Å; Y203-L226 HydrophobicContact CE1-CB 3.98Å; Y203-E229 PolarHBondContact OH-OE2 2.91Å
204	M	85.9	Confident	68.7	Low	24 Å²	24	56.4 Å²	56.4	12%	0.118	31%	0.314	C	S	.	.			trans	-70.6	131.3	180	-169.9	174.9	-78.2	0	0	110.2	P201 R208 I209 W221	P201-M204 HydrophobicContact CB-CB 4.12Å; P201-M204 HydrophobicContact CB-CE 3.68Å; P201-M204 HydrophobicContact CB-SD 4.45Å; P201-M204 HydrophobicContact CG-CB 4.44Å; P201-M204 HydrophobicContact CG-CE 3.79Å; P201-M204 HydrophobicContact CG-SD 4.16Å; P201-M204 VanDerWaalsContact O-CB 3.22Å; P201-M204 WeakPolarHBondContact O-CB 3.43Å; P201-M204 PolarHBondContact O-N 3.24Å; M204-R208 HydrophobicContact CG-CB 3.63Å; M204-I209 HydrophobicContact CG-CG1 4Å; M204-I209 HydrophobicContact SD-CG1 3.77Å; M204-W221 PolarHBondContact O-NE1 3.29Å
205	S	89.2	Confident	71	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.007	32%	0.321	C	S	.	.			trans	-82.2	159.6	177.2	61.1	0	0	0	0	112.4	E207 R208 I209	S205-E207 VanDerWaalsContact C-N 3.34Å; S205-E207 VanDerWaalsContact CB-CD 3.46Å; S205-E207 WeakPolarHBondContact CB-OE1 3.42Å; S205-E207 WeakPolarHBondContact CB-OE2 3.28Å; S205-E207 PolarHBondContact O-N 3.38Å; S205-E207 PolarHBondContact OG-OE1 3.39Å; S205-E207 PolarHBondContact OG-OE2 2.93Å; S205-R208 VanDerWaalsContact O-CB 3.3Å; S205-R208 WeakPolarHBondContact O-CB 3.45Å; S205-R208 PolarHBondContact O-N 3.26Å; S205-I209 PolarHBondContact O-N 3.12Å
206	P	89.5	Confident	73.3	Confident	10 Å²	10	58.6 Å²	58.6	7%	0.065	32%	0.322	C	S	.	.	H	α-helix	trans	-54.7	-44.6	177.4	-24.8	30.6	0	0	0	113.6	R208 I209 H210 W221 I251 P278	P206-R208 PolarHBondContact O-N 3.05Å; P206-I209 WeakPolarHBondContact O-CB 3.47Å; P206-I209 PolarHBondContact O-N 2.66Å; P206-I209 VanDerWaalsContact O-N 3.08Å; P206-H210 PolarHBondContact O-N 3.32Å; P206-H210 PolarHBondContact O-ND1 3.06Å; P206-W221 HydrophobicContact CG-CE3 4.35Å; P206-W221 HydrophobicContact CG-CH2 3.83Å; P206-W221 HydrophobicContact CG-CZ2 4.32Å; P206-W221 HydrophobicContact CG-CZ3 3.85Å; P206-I251 HydrophobicContact CB-CG2 4.35Å; P206-I251 HydrophobicContact CG-CG2 3.72Å; P206-P278 HydrophobicContact CG-CB 4.49Å
207	E	86.3	Confident	76	Confident	13 Å²	13	57.4 Å²	57.4	6%	0.061	31%	0.308	C	S	.	.	H	α-helix	trans	-64.8	-25.1	179.1	64.4	-80.4	-177.5	0	0	113	S205 E211 N212 S218 R283	S205-E207 VanDerWaalsContact C-N 3.34Å; S205-E207 VanDerWaalsContact CB-CD 3.46Å; S205-E207 WeakPolarHBondContact CB-OE1 3.42Å; S205-E207 WeakPolarHBondContact CB-OE2 3.28Å; S205-E207 PolarHBondContact O-N 3.38Å; S205-E207 PolarHBondContact OG-OE1 3.39Å; S205-E207 PolarHBondContact OG-OE2 2.93Å; E207-E211 PolarHBondContact O-N 3.07Å; E207-N212 HydrophobicContact CB-CB 4.37Å; E207-N212 PolarHBondContact O-N 3.37Å; E207-S218 VanDerWaalsContact OE1-CA 3.23Å; E207-S218 WeakPolarHBondContact OE1-CA 3.49Å; E207-S218 WeakPolarHBondContact OE1-CB 3.37Å; E207-S218 PolarHBondContact OE1-OG 2.94Å; E207-R283 IonicContact OE1-CZ 2.81Å; E207-R283 IonicContact OE1-NH1 2.66Å; E207-R283 PolarHBondContact OE1-NH1 3.03Å; E207-R283 IonicContact OE1-NH2 3.92Å; E207-R283 IonicContact OE2-CZ 3.63Å; E207-R283 IonicContact OE2-NH1 3.58Å; E207-R283 PolarHBondContact OE2-NH1 3.05Å; E207-R283 IonicContact OE2-NH2 3.68Å; E207-R283 PolarHBondContact OE2-NH2 3.41Å
208	R	82.2	Confident	78.8	Confident	58 Å²	58	50.3 Å²	50.3	22%	0.219	27%	0.271	C	S	.	.	H	α-helix	trans	-75	-33.4	173.5	-88.7	-84.7	-91.1	160.5	2.5	113	M204 S205 P206 H210 Y214	M204-R208 HydrophobicContact CG-CB 3.63Å; S205-R208 VanDerWaalsContact O-CB 3.3Å; S205-R208 WeakPolarHBondContact O-CB 3.45Å; S205-R208 PolarHBondContact O-N 3.26Å; P206-R208 PolarHBondContact O-N 3.05Å; R208-H210 VanDerWaalsContact C-N 3.35Å; R208-Y214 VanDerWaalsContact CD-CD2 3.5Å; R208-Y214 HydrophobicContact CG-CD2 3.43Å; R208-Y214 VanDerWaalsContact CG-CD2 3.43Å; R208-Y214 HydrophobicContact CG-CE2 4.07Å; R208-Y214 HydrophobicContact CG-CG 4.38Å
209	I	80.3	Confident	81.2	Confident	29 Å²	29	45.5 Å²	45.5	15%	0.149	24%	0.241	C	C	.	.	H	α-helix	trans	-66	-42.5	175.3	-66.7	166.4	0	0	0	110	M204 S205 P206 E211 C248 I251	M204-I209 HydrophobicContact CG-CG1 4Å; M204-I209 HydrophobicContact SD-CG1 3.77Å; S205-I209 PolarHBondContact O-N 3.12Å; P206-I209 WeakPolarHBondContact O-CB 3.47Å; P206-I209 PolarHBondContact O-N 2.66Å; P206-I209 VanDerWaalsContact O-N 3.08Å; I209-E211 VanDerWaalsContact C-N 3.25Å; I209-E211 PolarHBondContact O-N 2.83Å; I209-C248 HydrophobicContact CD1-CB 4.14Å; I209-C248 HydrophobicContact CG2-CB 4Å; I209-C248 VanDerWaalsContact CG2-SG 3.57Å; I209-I251 HydrophobicContact CD1-CB 3.97Å; I209-I251 HydrophobicContact CD1-CD1 3.81Å; I209-I251 HydrophobicContact CD1-CG2 3.59Å
210	H	76.1	Confident	83.4	Confident	94 Å²	94	43.3 Å²	43.3	44%	0.435	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	5	-178.1	-63.9	93	0	0	0	114.4	P206 R208 N212 E252	P206-H210 PolarHBondContact O-N 3.32Å; P206-H210 PolarHBondContact O-ND1 3.06Å; R208-H210 VanDerWaalsContact C-N 3.35Å; H210-N212 WeakPolarHBondContact CB-ND2 3.19Å; H210-N212 PolarHBondContact O-N 3.49Å; H210-N212 PolarHBondContact O-OD1 3.46Å; H210-E252 IonicContact CE1-OE1 3.25Å; H210-E252 PolarHBondContact CE1-OE1 3.27Å; H210-E252 VanDerWaalsContact CE1-OE1 3.25Å; H210-E252 IonicContact NE2-OE1 3.37Å; H210-E252 PolarHBondContact NE2-OE1 3.09Å
211	E	70.4	Confident	85.2	Confident	136 Å²	136	40.6 Å²	40.6	64%	0.636	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	18.3	-175.7	-56.8	-176.1	174.8	0	0	114.7	T192 E207 I209 G213	T192-E211 WeakPolarHBondContact CB-OE1 3.34Å; T192-E211 HydrophobicContact CG2-CG 3.83Å; T192-E211 WeakPolarHBondContact CG2-OE1 3.38Å; T192-E211 PolarHBondContact OG1-OE1 3.37Å; E207-E211 PolarHBondContact O-N 3.07Å; I209-E211 VanDerWaalsContact C-N 3.25Å; I209-E211 PolarHBondContact O-N 2.83Å; E211-G213 PolarHBondContact O-N 3.15Å
212	N	68.3	Low	86.2	Confident	129 Å²	129	39.7 Å²	39.7	69%	0.69	20%	0.197	S	C	*	.	S	Bend	trans	-72.4	6.9	-179.6	-71.6	-25.2	0	0	0	113.8	E207 H210	E207-N212 HydrophobicContact CB-CB 4.37Å; E207-N212 PolarHBondContact O-N 3.37Å; H210-N212 WeakPolarHBondContact CB-ND2 3.19Å; H210-N212 PolarHBondContact O-N 3.49Å; H210-N212 PolarHBondContact O-OD1 3.46Å
213	G	71.1	Confident	86.9	Confident	42 Å²	42	37.2 Å²	37.2	43%	0.433	19%	0.187	S	C	.	.			trans	90.2	141.1	-179.7	0	0	0	0	0	113.6	E211	E211-G213 PolarHBondContact O-N 3.15Å
214	Y	78.6	Confident	87.4	Confident	33 Å²	33	35.8 Å²	35.8	13%	0.129	18%	0.181	C	C	.	.			trans	-79.2	133.6	173.5	-162.7	-82.8	0	0	0	110	M159 R161 R208 S218 D219	M159-Y214 HydrophobicContact CB-CD1 4.46Å; M159-Y214 HydrophobicContact CB-CE1 4.33Å; M159-Y214 HydrophobicContact SD-CD1 3.77Å; M159-Y214 HydrophobicContact SD-CE1 4.34Å; R161-Y214 HydrophobicContact CB-CD1 4.5Å; R161-Y214 HydrophobicContact CB-CE1 4.18Å; R161-Y214 HydrophobicContact CG-CD1 3.88Å; R161-Y214 HydrophobicContact CG-CE1 3.85Å; R161-Y214 HydrophobicContact CG-CG 4.45Å; R208-Y214 VanDerWaalsContact CD-CD2 3.5Å; R208-Y214 HydrophobicContact CG-CD2 3.43Å; R208-Y214 VanDerWaalsContact CG-CD2 3.43Å; R208-Y214 HydrophobicContact CG-CE2 4.07Å; R208-Y214 HydrophobicContact CG-CG 4.38Å; Y214-S218 VanDerWaalsContact OH-C 3.25Å; Y214-S218 PolarHBondContact OH-O 3.36Å; Y214-D219 VanDerWaalsContact OH-CA 3.32Å; Y214-D219 WeakPolarHBondContact OH-CA 3.27Å; Y214-D219 PolarHBondContact OH-N 3.49Å; Y214-D219 PolarHBondContact OH-OD1 3.07Å
215	N	87.7	Confident	88	Confident	54 Å²	54	34.6 Å²	34.6	29%	0.289	18%	0.176	S	C	.	.			trans	-130.3	-179.4	176.5	70.4	24.1	0	0	0	111.6	M159 K217 S218	M159-N215 VanDerWaalsContact SD-CA 3.52Å; N215-K217 PolarHBondContact O-N 3.36Å; N215-K217 WeakPolarHBondContact OD1-CA 3.32Å; N215-K217 VanDerWaalsContact OD1-CB 3.29Å; N215-K217 WeakPolarHBondContact OD1-CB 3.48Å; N215-K217 PolarHBondContact OD1-N 3.23Å; N215-S218 PolarHBondContact N-OG 3.34Å; N215-S218 WeakPolarHBondContact O-CB 3.12Å; N215-S218 PolarHBondContact O-N 2.8Å; N215-S218 PolarHBondContact O-OG 3.5Å; N215-S218 PolarHBondContact OD1-N 3.26Å; N215-S218 PolarHBondContact OD1-OG 3.2Å
216	F	92.8	Very high	88.4	Confident	79 Å²	79	34.6 Å²	34.6	35%	0.346	18%	0.175	S	C	.	.	H	α-helix	trans	-60.3	-31.6	179.3	-65	-76.9	0	0	0	113.1	H154 R157 M159 S218 D219 I220	H154-F216 HydrophobicContact CB-CD1 4.36Å; H154-F216 AromaticContact CD2-CD1 3.67Å; H154-F216 PolarHBondContact CE1-O 2.83Å; H154-F216 AromaticContact CG-CD1 3.78Å; H154-F216 AromaticContact ND1-CD1 4Å; H154-F216 AromaticContact NE2-CD1 3.8Å; R157-F216 HydrophobicContact CB-CZ 4.22Å; M159-F216 HydrophobicContact CG-CD1 3.43Å; M159-F216 VanDerWaalsContact CG-CD1 3.43Å; M159-F216 HydrophobicContact CG-CE1 3.5Å; M159-F216 VanDerWaalsContact CG-CE1 3.5Å; M159-F216 HydrophobicContact CG-CG 4Å; M159-F216 HydrophobicContact CG-CZ 4.11Å; M159-F216 HydrophobicContact SD-CD1 4.46Å; M159-F216 HydrophobicContact SD-CG 4.5Å; F216-S218 PolarHBondContact O-N 2.98Å; F216-D219 WeakPolarHBondContact O-CB 3.45Å; F216-D219 PolarHBondContact O-N 2.5Å; F216-I220 PolarHBondContact O-N 3.46Å
217	K	96.8	Very high	88.9	Confident	43 Å²	43	34.1 Å²	34.1	19%	0.187	17%	0.172	C	C	.	.	H	α-helix	trans	-71.9	-19.9	176.3	-58.3	-64.3	-164.9	75	0	112.3	N215 I220 W221 P280 R283	N215-K217 PolarHBondContact O-N 3.36Å; N215-K217 WeakPolarHBondContact OD1-CA 3.32Å; N215-K217 VanDerWaalsContact OD1-CB 3.29Å; N215-K217 WeakPolarHBondContact OD1-CB 3.48Å; N215-K217 PolarHBondContact OD1-N 3.23Å; K217-I220 HydrophobicContact CD-CG1 4.47Å; K217-I220 PolarHBondContact O-N 3.34Å; K217-W221 PolarHBondContact O-N 3.18Å; K217-W221 VanDerWaalsContact O-N 3.12Å; K217-P280 HydrophobicContact CB-CB 3.79Å; K217-P280 HydrophobicContact CG-CB 4.37Å; K217-P280 VanDerWaalsContact CG-O 3.31Å; K217-P280 WeakPolarHBondContact CG-O 3.36Å; K217-P280 PolarHBondContact NZ-O 3.43Å; K217-R283 HydrophobicContact CD-CB 4.26Å; K217-R283 WeakPolarHBondContact CE-O 3.4Å; K217-R283 PolarHBondContact NZ-O 2.55Å; K217-R283 WeakPolarHBondContact O-CD 3.4Å; K217-R283 PolarHBondContact O-NH1 3.4Å
218	S	94.4	Very high	89.4	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-67.6	-35.3	169.9	-48.8	0	0	0	0	111.9	E207 Y214 N215 F216 I220 W221 S222	E207-S218 VanDerWaalsContact OE1-CA 3.23Å; E207-S218 WeakPolarHBondContact OE1-CA 3.49Å; E207-S218 WeakPolarHBondContact OE1-CB 3.37Å; E207-S218 PolarHBondContact OE1-OG 2.94Å; Y214-S218 VanDerWaalsContact OH-C 3.25Å; Y214-S218 PolarHBondContact OH-O 3.36Å; N215-S218 PolarHBondContact N-OG 3.34Å; N215-S218 WeakPolarHBondContact O-CB 3.12Å; N215-S218 PolarHBondContact O-N 2.8Å; N215-S218 PolarHBondContact O-OG 3.5Å; N215-S218 PolarHBondContact OD1-N 3.26Å; N215-S218 PolarHBondContact OD1-OG 3.2Å; F216-S218 PolarHBondContact O-N 2.98Å; S218-I220 VanDerWaalsContact C-N 3.32Å; S218-W221 WeakPolarHBondContact O-CB 2.91Å; S218-W221 PolarHBondContact O-N 2.94Å; S218-S222 PolarHBondContact O-N 3.27Å; S218-S222 PolarHBondContact O-OG 2.87Å
219	D	95.4	Very high	90.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-65.7	-38.1	172.3	-78.5	-34.9	0	0	0	110.6	L150 H154 M159 H160 R161 I163 Y214 F216 W221 S222 L223	L150-D219 HydrophobicContact CD1-CB 4.19Å; L150-D219 HydrophobicContact CD2-CB 4.14Å; H154-D219 IonicContact CD2-OD2 3.45Å; H154-D219 IonicContact CE1-OD2 2.84Å; H154-D219 IonicContact NE2-OD2 2.76Å; H154-D219 PolarHBondContact NE2-OD2 3.13Å; M159-D219 VanDerWaalsContact CA-OD2 3.28Å; M159-D219 WeakPolarHBondContact CA-OD2 3.49Å; H160-D219 WeakPolarHBondContact CB-OD1 3.41Å; H160-D219 PolarHBondContact N-OD1 3.44Å; H160-D219 PolarHBondContact N-OD2 3.18Å; R161-D219 PolarHBondContact N-OD1 3Å; I163-D219 HydrophobicContact CD1-CB 3.89Å; Y214-D219 VanDerWaalsContact OH-CA 3.32Å; Y214-D219 WeakPolarHBondContact OH-CA 3.27Å; Y214-D219 PolarHBondContact OH-N 3.49Å; Y214-D219 PolarHBondContact OH-OD1 3.07Å; F216-D219 WeakPolarHBondContact O-CB 3.45Å; F216-D219 PolarHBondContact O-N 2.5Å; D219-W221 VanDerWaalsContact C-N 3.34Å; D219-W221 PolarHBondContact O-N 3.25Å; D219-S222 PolarHBondContact O-N 3.06Å; D219-L223 WeakPolarHBondContact O-CB 3.45Å; D219-L223 PolarHBondContact O-N 3.32Å
220	I	98.5	Very high	91.1	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-62.4	-40.7	177.3	-55.3	-58.5	0	0	0	111.4	L150 F216 K217 S218 L223 G224 C275 R283 P284 I286	L150-I220 HydrophobicContact CD2-CD1 4.48Å; F216-I220 PolarHBondContact O-N 3.46Å; K217-I220 HydrophobicContact CD-CG1 4.47Å; K217-I220 PolarHBondContact O-N 3.34Å; S218-I220 VanDerWaalsContact C-N 3.32Å; I220-L223 PolarHBondContact O-N 2.93Å; I220-G224 PolarHBondContact O-N 2.88Å; I220-C275 HydrophobicContact CG2-CB 4.03Å; I220-R283 HydrophobicContact CG2-CB 4.2Å; I220-P284 HydrophobicContact CG2-CG 4.35Å; I220-I286 HydrophobicContact CD1-CB 3.87Å; I220-I286 HydrophobicContact CD1-CD1 4.17Å
221	W	97.9	Very high	92.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-58	-52.2	172.6	173.3	-83.1	0	0	0	111.7	M204 P206 K217 S218 D219 L223 G224 C225 F237 I251 C275 I276 N277	M204-W221 PolarHBondContact O-NE1 3.29Å; P206-W221 HydrophobicContact CG-CE3 4.35Å; P206-W221 HydrophobicContact CG-CH2 3.83Å; P206-W221 HydrophobicContact CG-CZ2 4.32Å; P206-W221 HydrophobicContact CG-CZ3 3.85Å; K217-W221 PolarHBondContact O-N 3.18Å; K217-W221 VanDerWaalsContact O-N 3.12Å; S218-W221 WeakPolarHBondContact O-CB 2.91Å; S218-W221 PolarHBondContact O-N 2.94Å; D219-W221 VanDerWaalsContact C-N 3.34Å; D219-W221 PolarHBondContact O-N 3.25Å; W221-L223 VanDerWaalsContact C-N 3.26Å; W221-L223 PolarHBondContact O-N 3.16Å; W221-G224 PolarHBondContact O-N 3.11Å; W221-G224 VanDerWaalsContact O-N 3.11Å; W221-C225 PolarHBondContact O-N 2.85Å; W221-F237 AromaticContact CH2-CE2 3.94Å; W221-F237 HydrophobicContact CH2-CE2 3.94Å; W221-F237 AromaticContact CH2-CZ 3.69Å; W221-F237 HydrophobicContact CH2-CZ 3.69Å; W221-F237 HydrophobicContact CZ2-CD2 4.29Å; W221-F237 AromaticContact CZ2-CE2 3.3Å; W221-F237 HydrophobicContact CZ2-CE2 3.3Å; W221-F237 AromaticContact CZ2-CZ 3.56Å; W221-F237 HydrophobicContact CZ2-CZ 3.56Å; W221-I251 HydrophobicContact CH2-CG2 3.92Å; W221-I251 HydrophobicContact CZ2-CB 4.43Å; W221-I251 HydrophobicContact CZ2-CG1 4.4Å; W221-I251 HydrophobicContact CZ2-CG2 3.63Å; W221-C275 WeakPolarHBondContact CA-O 3.43Å; W221-I276 HydrophobicContact CD2-CG2 4.23Å; W221-I276 HydrophobicContact CE3-CB 4.4Å; W221-I276 HydrophobicContact CE3-CG2 3.92Å; W221-I276 HydrophobicContact CH2-CG2 3.49Å; W221-I276 VanDerWaalsContact CH2-CG2 3.49Å; W221-I276 HydrophobicContact CZ2-CG2 3.81Å; W221-I276 HydrophobicContact CZ3-CB 4.32Å; W221-I276 HydrophobicContact CZ3-CG2 3.54Å; W221-N277 WeakPolarHBondContact CZ3-O 3.45Å
222	S	96.7	Very high	93.5	Very high	5 Å²	5	21.6 Å²	21.6	4%	0.035	12%	0.12	C	C	.	.	H	α-helix	trans	-62.5	-34.9	179.6	-57.1	0	0	0	0	112.1	Y203 S218 D219 L226	Y203-S222 PolarHBondContact O-OG 2.66Å; S218-S222 PolarHBondContact O-N 3.27Å; S218-S222 PolarHBondContact O-OG 2.87Å; D219-S222 PolarHBondContact O-N 3.06Å; S222-L226 WeakPolarHBondContact O-CB 3.36Å; S222-L226 PolarHBondContact O-N 3.33Å
223	L	98.4	Very high	94.9	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-64.9	-41.6	173.2	-175.6	66.5	0	0	0	112	F143 L146 L150 D219 I220 W221 L226 L227 I286 V289	F143-L223 HydrophobicContact CD2-CD1 4.35Å; F143-L223 HydrophobicContact CE2-CD1 3.5Å; F143-L223 HydrophobicContact CE2-CD2 4.41Å; F143-L223 HydrophobicContact CE2-CG 3.72Å; F143-L223 HydrophobicContact CZ-CD1 4.03Å; F143-L223 HydrophobicContact CZ-CD2 4.09Å; F143-L223 HydrophobicContact CZ-CG 3.8Å; L146-L223 HydrophobicContact CD2-CD1 3.46Å; L146-L223 VanDerWaalsContact CD2-CD1 3.46Å; L146-L223 HydrophobicContact CG-CD1 3.73Å; L150-L223 HydrophobicContact CD2-CB 4.46Å; L150-L223 HydrophobicContact CD2-CD2 3.95Å; D219-L223 WeakPolarHBondContact O-CB 3.45Å; D219-L223 PolarHBondContact O-N 3.32Å; I220-L223 PolarHBondContact O-N 2.93Å; W221-L223 VanDerWaalsContact C-N 3.26Å; W221-L223 PolarHBondContact O-N 3.16Å; L223-L226 WeakPolarHBondContact O-CB 3.48Å; L223-L226 PolarHBondContact O-N 3.08Å; L223-L227 PolarHBondContact O-N 3.47Å; L223-I286 HydrophobicContact CD2-CD1 3.77Å; L223-V289 HydrophobicContact CD2-CG1 3.95Å
224	G	98.6	Very high	96	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-61.8	-47.6	173.9	0	0	0	0	0	112.6	I220 W221 L226 L227 Y228	I220-G224 PolarHBondContact O-N 2.88Å; W221-G224 PolarHBondContact O-N 3.11Å; W221-G224 VanDerWaalsContact O-N 3.11Å; G224-L226 PolarHBondContact O-N 3.33Å; G224-L227 PolarHBondContact O-N 2.87Å; G224-Y228 PolarHBondContact O-N 3.42Å
225	C	98.4	Very high	96.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-57.4	-37.7	174.1	-71.4	0	0	0	0	112.2	Y203 W221 E229 P236	Y203-C225 HydrophobicContact CD1-CB 3.6Å; Y203-C225 HydrophobicContact CE1-CB 3.77Å; Y203-C225 HydrophobicContact CG-CB 4.46Å; W221-C225 PolarHBondContact O-N 2.85Å; C225-E229 WeakPolarHBondContact O-CB 3.41Å; C225-E229 PolarHBondContact O-N 3.12Å; C225-P236 HydrophobicContact CB-CG 4.1Å
226	L	98.4	Very high	97.1	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-69.4	-43.1	177.6	-175.2	152.9	0	0	0	111.5	L120 F143 L146 I163 P165 V168 Y203 S222 L223 G224 Y228 E229 M230	L120-L226 HydrophobicContact CD2-CD1 4.15Å; L120-L226 HydrophobicContact CD2-CD2 3.63Å; L120-L226 HydrophobicContact CD2-CG 4.01Å; F143-L226 HydrophobicContact CD2-CD2 4.5Å; L146-L226 HydrophobicContact CD2-CD1 3.9Å; L146-L226 HydrophobicContact CD2-CD2 3.59Å; L146-L226 HydrophobicContact CD2-CG 4.37Å; I163-L226 HydrophobicContact CG2-CD1 3.93Å; P165-L226 HydrophobicContact CG-CD1 4.39Å; P165-L226 HydrophobicContact CG-CG 4.33Å; V168-L226 HydrophobicContact CG2-CD1 3.76Å; Y203-L226 HydrophobicContact CE1-CB 3.98Å; S222-L226 WeakPolarHBondContact O-CB 3.36Å; S222-L226 PolarHBondContact O-N 3.33Å; L223-L226 WeakPolarHBondContact O-CB 3.48Å; L223-L226 PolarHBondContact O-N 3.08Å; G224-L226 PolarHBondContact O-N 3.33Å; L226-Y228 VanDerWaalsContact C-N 3.33Å; L226-Y228 PolarHBondContact O-N 3.26Å; L226-E229 PolarHBondContact O-N 3.2Å; L226-M230 HydrophobicContact CD2-CG 4.16Å; L226-M230 HydrophobicContact CD2-SD 3.71Å; L226-M230 WeakPolarHBondContact O-CG 3.23Å; L226-M230 PolarHBondContact O-N 3.2Å
227	L	98.8	Very high	97.1	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-58.9	-46.1	174.5	-179	57.8	0	0	0	111.1	V139 F143 L223 G224 E229 M230 A231 L268 L271 V272	V139-L227 HydrophobicContact CG1-CD1 3.53Å; F143-L227 HydrophobicContact CB-CD1 4.47Å; F143-L227 HydrophobicContact CD1-CD1 4.1Å; F143-L227 HydrophobicContact CD2-CB 4.17Å; F143-L227 HydrophobicContact CD2-CD1 3.86Å; F143-L227 HydrophobicContact CD2-CG 4.49Å; F143-L227 HydrophobicContact CE1-CD1 4.28Å; F143-L227 HydrophobicContact CE1-CD2 3.94Å; F143-L227 HydrophobicContact CE2-CB 3.64Å; F143-L227 HydrophobicContact CE2-CD1 4.07Å; F143-L227 HydrophobicContact CE2-CD2 4.3Å; F143-L227 HydrophobicContact CE2-CG 4.21Å; F143-L227 HydrophobicContact CG-CD1 3.88Å; F143-L227 HydrophobicContact CZ-CB 3.97Å; F143-L227 HydrophobicContact CZ-CD1 4.27Å; F143-L227 HydrophobicContact CZ-CD2 3.82Å; F143-L227 HydrophobicContact CZ-CG 4.24Å; L223-L227 PolarHBondContact O-N 3.47Å; G224-L227 PolarHBondContact O-N 2.87Å; L227-E229 PolarHBondContact O-N 3.33Å; L227-M230 PolarHBondContact O-N 3.18Å; L227-A231 PolarHBondContact O-N 3.41Å; L227-L268 HydrophobicContact CD1-CD1 4.48Å; L227-L268 HydrophobicContact CD1-CG 4.4Å; L227-L271 HydrophobicContact CD2-CB 4.39Å; L227-L271 HydrophobicContact CD2-CD2 3.96Å; L227-L271 HydrophobicContact CD2-CG 4.18Å; L227-V272 HydrophobicContact CB-CG2 4.1Å; L227-V272 HydrophobicContact CD2-CG2 3.66Å; L227-V272 HydrophobicContact CG-CG2 3.66Å
228	Y	98.8	Very high	96.7	Very high	11 Å²	11	11.6 Å²	11.6	4%	0.043	6%	0.058	C	C	.	.	H	α-helix	trans	-58.1	-48.2	173.3	-180	-81	0	0	0	111.3	G224 L226 M230 A231 A232 Q234 P236 Y256 P257 L259 V272	G224-Y228 PolarHBondContact O-N 3.42Å; L226-Y228 VanDerWaalsContact C-N 3.33Å; L226-Y228 PolarHBondContact O-N 3.26Å; Y228-M230 VanDerWaalsContact C-N 3.29Å; Y228-M230 PolarHBondContact O-N 3.32Å; Y228-A231 CarbonylContact O-C 3.58Å; Y228-A231 WeakPolarHBondContact O-CA 3.44Å; Y228-A231 PolarHBondContact O-N 3.02Å; Y228-A232 HydrophobicContact CD1-CB 3.86Å; Y228-A232 HydrophobicContact CE1-CB 3.34Å; Y228-A232 HydrophobicContact CE2-CB 4.48Å; Y228-A232 WeakPolarHBondContact O-CB 3.19Å; Y228-A232 PolarHBondContact O-N 3.01Å; Y228-Q234 WeakPolarHBondContact CD1-O 3.21Å; Y228-Q234 VanDerWaalsContact CE1-O 3.28Å; Y228-Q234 WeakPolarHBondContact CE1-O 3.42Å; Y228-P236 HydrophobicContact CD1-CB 3.71Å; Y228-P236 VanDerWaalsContact CD1-CD 3.47Å; Y228-P236 HydrophobicContact CD1-CG 4.09Å; Y228-P236 HydrophobicContact CD2-CB 4.32Å; Y228-P236 HydrophobicContact CE1-CB 3.88Å; Y228-P236 HydrophobicContact CE2-CB 4.47Å; Y228-P236 HydrophobicContact CG-CB 3.94Å; Y228-P236 HydrophobicContact CG-CG 4.32Å; Y228-Y256 HydrophobicContact CD2-CD2 4.04Å; Y228-Y256 HydrophobicContact CD2-CE2 4.14Å; Y228-Y256 AromaticContact CE2-CD2 3.64Å; Y228-Y256 HydrophobicContact CE2-CD2 3.64Å; Y228-Y256 HydrophobicContact CE2-CE2 4.11Å; Y228-P257 WeakPolarHBondContact CE2-O 3.42Å; Y228-P257 PolarHBondContact OH-O 2.78Å; Y228-L259 HydrophobicContact CD2-CD1 4.19Å; Y228-L259 HydrophobicContact CD2-CD2 3.68Å; Y228-L259 HydrophobicContact CD2-CG 3.83Å; Y228-L259 HydrophobicContact CE2-CD2 3.55Å; Y228-L259 HydrophobicContact CE2-CG 3.82Å; Y228-L259 HydrophobicContact CG-CD2 4.29Å; Y228-V272 HydrophobicContact CD2-CG1 4.03Å; Y228-V272 HydrophobicContact CG-CG1 4.48Å
229	E	98.4	Very high	96.1	Very high	26 Å²	26	12.5 Å²	12.5	12%	0.121	7%	0.067	C	C	.	.	H	α-helix	trans	-65.6	-31.8	-177.2	-169.4	170.1	141.7	0	0	112.5	I124 Y203 C225 L226 L227 A231 L233 Q234 S235	I124-E229 HydrophobicContact CD1-CG 4.1Å; Y203-E229 PolarHBondContact OH-OE2 2.91Å; C225-E229 WeakPolarHBondContact O-CB 3.41Å; C225-E229 PolarHBondContact O-N 3.12Å; L226-E229 PolarHBondContact O-N 3.2Å; L227-E229 PolarHBondContact O-N 3.33Å; E229-A231 VanDerWaalsContact C-N 3.29Å; E229-A231 PolarHBondContact O-N 3.34Å; E229-L233 WeakPolarHBondContact O-CA 3.32Å; E229-L233 PolarHBondContact O-N 3.45Å; E229-Q234 WeakPolarHBondContact CA-O 3.45Å; E229-Q234 VanDerWaalsContact CG-C 3.5Å; E229-S235 WeakPolarHBondContact OE2-CA 3.17Å; E229-S235 WeakPolarHBondContact OE2-CB 3.41Å; E229-S235 PolarHBondContact OE2-N 2.57Å
230	M	98.6	Very high	95.1	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-61.2	-39.3	170.3	-70.3	178.8	74.4	0	0	111.8	L120 I124 I134 V139 L226 L227 Y228	L120-M230 HydrophobicContact CD1-CE 3.99Å; L120-M230 HydrophobicContact CD1-CG 4.26Å; L120-M230 HydrophobicContact CD1-SD 4.34Å; L120-M230 HydrophobicContact CD2-CG 3.86Å; L120-M230 HydrophobicContact CD2-SD 3.83Å; L120-M230 HydrophobicContact CG-CG 4.39Å; I124-M230 HydrophobicContact CD1-CG 4.39Å; I134-M230 WeakPolarHBondContact CD1-O 3.5Å; V139-M230 HydrophobicContact CB-CE 4.34Å; V139-M230 HydrophobicContact CG1-CB 4.19Å; V139-M230 HydrophobicContact CG1-CE 4.05Å; V139-M230 HydrophobicContact CG1-SD 4.3Å; V139-M230 HydrophobicContact CG2-CB 4.36Å; L226-M230 HydrophobicContact CD2-CG 4.16Å; L226-M230 HydrophobicContact CD2-SD 3.71Å; L226-M230 WeakPolarHBondContact O-CG 3.23Å; L226-M230 PolarHBondContact O-N 3.2Å; L227-M230 PolarHBondContact O-N 3.18Å; Y228-M230 VanDerWaalsContact C-N 3.29Å; Y228-M230 PolarHBondContact O-N 3.32Å
231	A	98.5	Very high	93.7	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-80.3	-39	-178.6	0	0	0	0	0	113.2	L227 Y228 E229 L259 Y264 L268	L227-A231 PolarHBondContact O-N 3.41Å; Y228-A231 CarbonylContact O-C 3.58Å; Y228-A231 WeakPolarHBondContact O-CA 3.44Å; Y228-A231 PolarHBondContact O-N 3.02Å; E229-A231 VanDerWaalsContact C-N 3.29Å; E229-A231 PolarHBondContact O-N 3.34Å; A231-L259 HydrophobicContact CB-CD1 3.78Å; A231-L259 HydrophobicContact CB-CD2 3.67Å; A231-L259 HydrophobicContact CB-CG 4.35Å; A231-Y264 VanDerWaalsContact CA-OH 3.28Å; A231-Y264 WeakPolarHBondContact CA-OH 3.43Å; A231-Y264 HydrophobicContact CB-CD1 4.25Å; A231-Y264 HydrophobicContact CB-CD2 4.12Å; A231-Y264 HydrophobicContact CB-CE1 3.91Å; A231-Y264 HydrophobicContact CB-CE2 3.74Å; A231-Y264 HydrophobicContact CB-CG 4.35Å; A231-Y264 VanDerWaalsContact O-CE2 3.29Å; A231-Y264 WeakPolarHBondContact O-CE2 3.45Å; A231-Y264 VanDerWaalsContact O-CZ 3.28Å; A231-Y264 PolarHBondContact O-OH 2.79Å; A231-L268 HydrophobicContact CB-CD2 4.27Å
232	A	98	Very high	92.6	Very high	29 Å²	29	30.6 Å²	30.6	24%	0.24	15%	0.153	C	C	.	.	H	α-helix	trans	-97.4	-12.1	-174.9	0	0	0	0	0	114.5	Y228 Q234 L259	Y228-A232 HydrophobicContact CD1-CB 3.86Å; Y228-A232 HydrophobicContact CE1-CB 3.34Å; Y228-A232 HydrophobicContact CE2-CB 4.48Å; Y228-A232 WeakPolarHBondContact O-CB 3.19Å; Y228-A232 PolarHBondContact O-N 3.01Å; A232-Q234 PolarHBondContact O-N 2.89Å; A232-L259 HydrophobicContact CB-CD2 3.78Å
233	L	97.5	Very high	91.9	Very high	13 Å²	13	35 Å²	35	7%	0.068	18%	0.176	C	C	.	.	S	Bend	trans	59.5	22.6	-173	-46.3	176.1	0	0	0	114.2	I124 F127 K128 R132 L133 I134 E229	I124-L233 HydrophobicContact CG2-CB 4.19Å; I124-L233 HydrophobicContact CG2-CD2 4.14Å; F127-L233 HydrophobicContact CB-CD1 4.16Å; F127-L233 HydrophobicContact CB-CD2 3.9Å; K128-L233 HydrophobicContact CB-CB 4.29Å; K128-L233 HydrophobicContact CB-CD1 4.27Å; K128-L233 PolarHBondContact NZ-O 3.06Å; R132-L233 WeakPolarHBondContact O-CD1 3.38Å; L133-L233 HydrophobicContact CD2-CD1 4.06Å; L133-L233 HydrophobicContact CD2-CG 4.24Å; I134-L233 HydrophobicContact CD1-CD2 4.04Å; I134-L233 HydrophobicContact CG1-CD2 3.96Å; E229-L233 WeakPolarHBondContact O-CA 3.32Å; E229-L233 PolarHBondContact O-N 3.45Å
234	Q	94.8	Very high	91.1	Very high	69 Å²	69	38.2 Å²	38.2	32%	0.322	19%	0.193	S	C	.	.	S	Bend	trans	-160.5	143.7	-178.9	-173.7	160.4	31.9	0	0	109.7	Y228 E229 A232 Y238	Y228-Q234 WeakPolarHBondContact CD1-O 3.21Å; Y228-Q234 VanDerWaalsContact CE1-O 3.28Å; Y228-Q234 WeakPolarHBondContact CE1-O 3.42Å; E229-Q234 WeakPolarHBondContact CA-O 3.45Å; E229-Q234 VanDerWaalsContact CG-C 3.5Å; A232-Q234 PolarHBondContact O-N 2.89Å; Q234-Y238 HydrophobicContact CG-CD1 4.1Å; Q234-Y238 HydrophobicContact CG-CD2 4.42Å; Q234-Y238 HydrophobicContact CG-CG 3.8Å; Q234-Y238 VanDerWaalsContact NE2-CG 3.27Å
235	S	94.6	Very high	90.4	Very high	7 Å²	7	46.9 Å²	46.9	5%	0.049	23%	0.227	C	C	.	.			trans	-58.5	145.4	175.6	165.5	0	0	0	0	111.2	Y202 E229 F237 Y238	Y202-S235 WeakPolarHBondContact CB-OG 3.42Å; E229-S235 WeakPolarHBondContact OE2-CA 3.17Å; E229-S235 WeakPolarHBondContact OE2-CB 3.41Å; E229-S235 PolarHBondContact OE2-N 2.57Å; S235-F237 VanDerWaalsContact C-N 3.27Å; S235-F237 PolarHBondContact O-N 3.31Å; S235-F237 PolarHBondContact OG-N 3.32Å; S235-Y238 WeakPolarHBondContact O-CB 3.31Å; S235-Y238 PolarHBondContact O-N 3.36Å
236	P	94.6	Very high	89.8	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.006	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-40.2	179.7	21.3	-32.8	0	0	0	113	C225 Y228 Y256 I276	C225-P236 HydrophobicContact CB-CG 4.1Å; Y228-P236 HydrophobicContact CD1-CB 3.71Å; Y228-P236 VanDerWaalsContact CD1-CD 3.47Å; Y228-P236 HydrophobicContact CD1-CG 4.09Å; Y228-P236 HydrophobicContact CD2-CB 4.32Å; Y228-P236 HydrophobicContact CE1-CB 3.88Å; Y228-P236 HydrophobicContact CE2-CB 4.47Å; Y228-P236 HydrophobicContact CG-CB 3.94Å; Y228-P236 HydrophobicContact CG-CG 4.32Å; P236-Y256 HydrophobicContact CB-CD1 4.37Å; P236-Y256 HydrophobicContact CB-CD2 4.14Å; P236-Y256 HydrophobicContact CB-CG 3.83Å; P236-Y256 WeakPolarHBondContact O-CB 3.5Å; P236-I276 HydrophobicContact CB-CD1 4.45Å; P236-I276 HydrophobicContact CG-CD1 4.11Å
237	F	93.5	Very high	89.2	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	15.6	-175.7	-52.1	-68.3	0	0	0	113.3	W221 S235 L247 K250 I251 Y256 I276	W221-F237 AromaticContact CH2-CE2 3.94Å; W221-F237 HydrophobicContact CH2-CE2 3.94Å; W221-F237 AromaticContact CH2-CZ 3.69Å; W221-F237 HydrophobicContact CH2-CZ 3.69Å; W221-F237 HydrophobicContact CZ2-CD2 4.29Å; W221-F237 AromaticContact CZ2-CE2 3.3Å; W221-F237 HydrophobicContact CZ2-CE2 3.3Å; W221-F237 AromaticContact CZ2-CZ 3.56Å; W221-F237 HydrophobicContact CZ2-CZ 3.56Å; S235-F237 VanDerWaalsContact C-N 3.27Å; S235-F237 PolarHBondContact O-N 3.31Å; S235-F237 PolarHBondContact OG-N 3.32Å; F237-L247 HydrophobicContact CB-CD1 3.65Å; F237-L247 WeakPolarHBondContact O-CD1 3.28Å; F237-K250 HydrophobicContact CD1-CB 4.1Å; F237-I251 HydrophobicContact CB-CG1 4.15Å; F237-I251 HydrophobicContact CD1-CG1 4.05Å; F237-I251 HydrophobicContact CD2-CG1 3.71Å; F237-I251 HydrophobicContact CE1-CG1 4.38Å; F237-I251 HydrophobicContact CE2-CG1 4.1Å; F237-I251 HydrophobicContact CG-CG1 3.68Å; F237-I251 HydrophobicContact CZ-CG1 4.4Å; F237-Y256 AromaticContact CE1-CD1 3.76Å; F237-Y256 HydrophobicContact CE1-CD1 3.76Å; F237-Y256 AromaticContact CZ-CD1 3.99Å; F237-Y256 HydrophobicContact CZ-CD1 3.99Å; F237-Y256 HydrophobicContact CZ-CE1 4.47Å; F237-I276 HydrophobicContact CE2-CG2 3.79Å; F237-I276 HydrophobicContact CZ-CG2 3.52Å
238	Y	88.2	Confident	88.7	Confident	80 Å²	80	49.5 Å²	49.5	31%	0.314	25%	0.245	S	C	.	.			trans	-61.6	141.7	173.3	-179.9	-80.9	0	0	0	111	Y202 Q234 S235 D240	Y202-Y238 HydrophobicContact CE1-CD2 4.08Å; Y202-Y238 HydrophobicContact CE2-CD2 4.37Å; Y202-Y238 AromaticContact CZ-CD2 3.75Å; Q234-Y238 HydrophobicContact CG-CD1 4.1Å; Q234-Y238 HydrophobicContact CG-CD2 4.42Å; Q234-Y238 HydrophobicContact CG-CG 3.8Å; Q234-Y238 VanDerWaalsContact NE2-CG 3.27Å; S235-Y238 WeakPolarHBondContact O-CB 3.31Å; S235-Y238 PolarHBondContact O-N 3.36Å; Y238-D240 VanDerWaalsContact CE1-OD1 3.23Å; Y238-D240 WeakPolarHBondContact CE1-OD1 3.29Å; Y238-D240 PolarHBondContact OH-OD1 3.32Å
239	G	81.1	Confident	88.1	Confident	19 Å²	19	53.7 Å²	53.7	20%	0.196	26%	0.263	C	S	.	.			trans	-147.3	139.1	167.6	0	0	0	0	0	110.5	K241 M242	G239-K241 PolarHBondContact O-N 2.79Å; G239-M242 VanDerWaalsContact O-CB 3.31Å; G239-M242 WeakPolarHBondContact O-CB 3.34Å; G239-M242 PolarHBondContact O-N 2.9Å
240	D	73.9	Confident	87.8	Confident	129 Å²	129	54.4 Å²	54.4	69%	0.69	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	130.4	174.8	-74.7	-32.9	0	0	0	110	Y238 M242	Y238-D240 VanDerWaalsContact CE1-OD1 3.23Å; Y238-D240 WeakPolarHBondContact CE1-OD1 3.29Å; Y238-D240 PolarHBondContact OH-OD1 3.32Å; D240-M242 PolarHBondContact O-N 2.88Å
241	K	71	Confident	87.4	Confident	218 Å²	218	54.4 Å²	54.4	95%	0.948	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	31	179.4	-55.1	179	-179.6	177.4	0	114.1	G239	G239-K241 PolarHBondContact O-N 2.79Å
242	M	74.9	Confident	86.9	Confident	35 Å²	35	58.5 Å²	58.5	17%	0.172	29%	0.285	C	S	.	.			trans	-76.7	133.6	-179.6	-161.9	175.6	-154.6	0	0	111.8	G239 D240 S246 L247 K250	G239-M242 VanDerWaalsContact O-CB 3.31Å; G239-M242 WeakPolarHBondContact O-CB 3.34Å; G239-M242 PolarHBondContact O-N 2.9Å; D240-M242 PolarHBondContact O-N 2.88Å; M242-S246 WeakPolarHBondContact CE-O 3.45Å; M242-S246 WeakPolarHBondContact CG-OG 3.2Å; M242-L247 VanDerWaalsContact CE-CA 3.44Å; M242-L247 HydrophobicContact CE-CB 4.33Å; M242-L247 VanDerWaalsContact CE-N 3.32Å; M242-L247 HydrophobicContact CG-CB 4.48Å; M242-L247 HydrophobicContact SD-CB 4.05Å; M242-L247 HydrophobicContact SD-CD1 4.13Å; M242-K250 HydrophobicContact CE-CB 4.12Å; M242-K250 HydrophobicContact CE-CD 3.2Å; M242-K250 HydrophobicContact CE-CG 3.5Å; M242-K250 VanDerWaalsContact CE-CG 3.5Å; M242-K250 HydrophobicContact SD-CD 4.26Å
243	N	81.9	Confident	86.5	Confident	97 Å²	97	62.8 Å²	62.8	52%	0.519	30%	0.3	S	S	.	.			trans	-91.3	166.3	170.4	69.5	37.9	0	0	0	110.8	Y245 S246 L247	N243-Y245 VanDerWaalsContact C-N 3.3Å; N243-Y245 PolarHBondContact O-N 3.27Å; N243-Y245 WeakPolarHBondContact OD1-CB 3.29Å; N243-Y245 PolarHBondContact OD1-N 3.43Å; N243-S246 PolarHBondContact N-OG 3.32Å; N243-S246 PolarHBondContact O-N 3.16Å; N243-S246 PolarHBondContact O-OG 3.1Å; N243-S246 PolarHBondContact OD1-N 3.06Å; N243-S246 PolarHBondContact OD1-OG 3.18Å; N243-S246 VanDerWaalsContact OD1-OG 3.05Å; N243-L247 PolarHBondContact O-N 3.18Å
244	L	80.2	Confident	86.2	Confident	68 Å²	68	63.6 Å²	63.6	36%	0.356	31%	0.307	S	S	.	.	H	α-helix	trans	-58.5	-39.9	-176.6	-176.5	60.8	0	0	0	112.9	P201 S246 L247 C248	P201-L244 HydrophobicContact CG-CD1 4.05Å; L244-S246 PolarHBondContact O-N 2.96Å; L244-L247 HydrophobicContact CD1-CD2 4.3Å; L244-L247 WeakPolarHBondContact O-CB 3.49Å; L244-L247 PolarHBondContact O-N 3.21Å; L244-C248 PolarHBondContact O-N 3.21Å; L244-C248 PolarHBondContact O-SG 2.92Å
245	Y	83.6	Confident	86	Confident	181 Å²	181	64.5 Å²	64.5	71%	0.71	31%	0.314	S	S	*	.	H	α-helix	trans	-60.6	-47.7	178.5	175.6	-99.8	0	0	0	111.9	N243 L247 C248 K249	N243-Y245 VanDerWaalsContact C-N 3.3Å; N243-Y245 PolarHBondContact O-N 3.27Å; N243-Y245 WeakPolarHBondContact OD1-CB 3.29Å; N243-Y245 PolarHBondContact OD1-N 3.43Å; Y245-L247 VanDerWaalsContact C-N 3.29Å; Y245-L247 PolarHBondContact O-N 2.8Å; Y245-C248 PolarHBondContact O-N 3.1Å; Y245-K249 PolarHBondContact O-N 3.32Å; Y245-K249 VanDerWaalsContact O-N 3.1Å
246	S	86.6	Confident	86	Confident	35 Å²	35	65.9 Å²	65.9	25%	0.245	32%	0.318	C	S	.	.	H	α-helix	trans	-62.7	-37.2	176.5	53.8	0	0	0	0	112.1	M242 N243 L244 K249 K250	M242-S246 WeakPolarHBondContact CE-O 3.45Å; M242-S246 WeakPolarHBondContact CG-OG 3.2Å; N243-S246 PolarHBondContact N-OG 3.32Å; N243-S246 PolarHBondContact O-N 3.16Å; N243-S246 PolarHBondContact O-OG 3.1Å; N243-S246 PolarHBondContact OD1-N 3.06Å; N243-S246 PolarHBondContact OD1-OG 3.18Å; N243-S246 VanDerWaalsContact OD1-OG 3.05Å; L244-S246 PolarHBondContact O-N 2.96Å; S246-K249 PolarHBondContact O-N 3.45Å; S246-K250 PolarHBondContact O-N 3.47Å; S246-K250 VanDerWaalsContact O-N 3.11Å
247	L	86.5	Confident	86.1	Confident	1 Å²	1	69.2 Å²	69.2	1%	0.005	34%	0.34	C	S	.	.	H	α-helix	trans	-61.5	-48.9	176.3	176.5	67	0	0	0	111.1	T200 P201 Y202 F237 M242 N243 L244 Y245 K249 K250 I251	T200-L247 HydrophobicContact CG2-CD2 3.63Å; P201-L247 HydrophobicContact CG-CD2 4.11Å; Y202-L247 HydrophobicContact CD1-CD1 4.3Å; F237-L247 HydrophobicContact CB-CD1 3.65Å; F237-L247 WeakPolarHBondContact O-CD1 3.28Å; M242-L247 VanDerWaalsContact CE-CA 3.44Å; M242-L247 HydrophobicContact CE-CB 4.33Å; M242-L247 VanDerWaalsContact CE-N 3.32Å; M242-L247 HydrophobicContact CG-CB 4.48Å; M242-L247 HydrophobicContact SD-CB 4.05Å; M242-L247 HydrophobicContact SD-CD1 4.13Å; N243-L247 PolarHBondContact O-N 3.18Å; L244-L247 HydrophobicContact CD1-CD2 4.3Å; L244-L247 WeakPolarHBondContact O-CB 3.49Å; L244-L247 PolarHBondContact O-N 3.21Å; Y245-L247 VanDerWaalsContact C-N 3.29Å; Y245-L247 PolarHBondContact O-N 2.8Å; L247-K249 VanDerWaalsContact C-N 3.26Å; L247-K249 PolarHBondContact O-N 3.04Å; L247-K250 PolarHBondContact O-N 2.78Å; L247-K250 VanDerWaalsContact O-N 3.17Å; L247-I251 HydrophobicContact CD1-CD1 4Å; L247-I251 HydrophobicContact CD1-CG1 4.39Å; L247-I251 HydrophobicContact CD2-CD1 4.39Å; L247-I251 HydrophobicContact CG-CD1 3.8Å; L247-I251 WeakPolarHBondContact O-CG1 3.36Å; L247-I251 PolarHBondContact O-N 3Å
248	C	86.6	Confident	86.2	Confident	19 Å²	19	75 Å²	75	13%	0.128	38%	0.377	C	S	.	.	H	α-helix	trans	-56.8	-43.6	177.7	-64	0	0	0	0	111.2	I209 L244 Y245 K250 I251 E252	I209-C248 HydrophobicContact CD1-CB 4.14Å; I209-C248 HydrophobicContact CG2-CB 4Å; I209-C248 VanDerWaalsContact CG2-SG 3.57Å; L244-C248 PolarHBondContact O-N 3.21Å; L244-C248 PolarHBondContact O-SG 2.92Å; Y245-C248 PolarHBondContact O-N 3.1Å; C248-K250 PolarHBondContact O-N 3.4Å; C248-I251 WeakPolarHBondContact O-CB 3.24Å; C248-I251 PolarHBondContact O-N 3.48Å; C248-E252 WeakPolarHBondContact O-CB 3.37Å; C248-E252 WeakPolarHBondContact O-CG 3.43Å; C248-E252 PolarHBondContact O-N 2.92Å
249	K	88.2	Confident	86.7	Confident	100 Å²	100	72 Å²	72	44%	0.435	37%	0.366	S	S	.	.	H	α-helix	trans	-59.9	-44.1	177.1	-169.1	-179	175.6	-178.7	0	112.7	Y245 S246 L247 I251 E252 Q253	Y245-K249 PolarHBondContact O-N 3.32Å; Y245-K249 VanDerWaalsContact O-N 3.1Å; S246-K249 PolarHBondContact O-N 3.45Å; L247-K249 VanDerWaalsContact C-N 3.26Å; L247-K249 PolarHBondContact O-N 3.04Å; K249-I251 VanDerWaalsContact C-N 3.35Å; K249-E252 PolarHBondContact O-N 2.89Å; K249-Q253 VanDerWaalsContact CE-NE2 3.34Å; K249-Q253 WeakPolarHBondContact O-CB 3.41Å; K249-Q253 VanDerWaalsContact O-CG 3.22Å; K249-Q253 WeakPolarHBondContact O-CG 3.44Å; K249-Q253 PolarHBondContact O-N 3.31Å
250	K	90.6	Very high	87.5	Confident	41 Å²	41	73.5 Å²	73.5	18%	0.178	37%	0.373	C	S	.	.	H	α-helix	trans	-64.1	-40	176	-74.1	-167.4	73.7	172.8	0	112.3	F237 M242 S246 L247 C248 Q253 C254 D255	F237-K250 HydrophobicContact CD1-CB 4.1Å; M242-K250 HydrophobicContact CE-CB 4.12Å; M242-K250 HydrophobicContact CE-CD 3.2Å; M242-K250 HydrophobicContact CE-CG 3.5Å; M242-K250 VanDerWaalsContact CE-CG 3.5Å; M242-K250 HydrophobicContact SD-CD 4.26Å; S246-K250 PolarHBondContact O-N 3.47Å; S246-K250 VanDerWaalsContact O-N 3.11Å; L247-K250 PolarHBondContact O-N 2.78Å; L247-K250 VanDerWaalsContact O-N 3.17Å; C248-K250 PolarHBondContact O-N 3.4Å; K250-Q253 PolarHBondContact O-N 2.89Å; K250-C254 WeakPolarHBondContact O-CA 3.24Å; K250-C254 PolarHBondContact O-N 3.3Å; K250-D255 WeakPolarHBondContact CE-O 3.32Å; K250-D255 WeakPolarHBondContact CE-OD2 3.39Å; K250-D255 PolarHBondContact O-N 3Å
251	I	90.6	Very high	88.6	Confident	1 Å²	1	70.6 Å²	70.6	1%	0.005	37%	0.367	C	S	.	.	H	α-helix	trans	-62.9	-47.6	177.4	-73.5	168.2	0	0	0	110.8	P206 I209 W221 F237 L247 C248 K249 Q253 C254	P206-I251 HydrophobicContact CB-CG2 4.35Å; P206-I251 HydrophobicContact CG-CG2 3.72Å; I209-I251 HydrophobicContact CD1-CB 3.97Å; I209-I251 HydrophobicContact CD1-CD1 3.81Å; I209-I251 HydrophobicContact CD1-CG2 3.59Å; W221-I251 HydrophobicContact CH2-CG2 3.92Å; W221-I251 HydrophobicContact CZ2-CB 4.43Å; W221-I251 HydrophobicContact CZ2-CG1 4.4Å; W221-I251 HydrophobicContact CZ2-CG2 3.63Å; F237-I251 HydrophobicContact CB-CG1 4.15Å; F237-I251 HydrophobicContact CD1-CG1 4.05Å; F237-I251 HydrophobicContact CD2-CG1 3.71Å; F237-I251 HydrophobicContact CE1-CG1 4.38Å; F237-I251 HydrophobicContact CE2-CG1 4.1Å; F237-I251 HydrophobicContact CG-CG1 3.68Å; F237-I251 HydrophobicContact CZ-CG1 4.4Å; L247-I251 HydrophobicContact CD1-CD1 4Å; L247-I251 HydrophobicContact CD1-CG1 4.39Å; L247-I251 HydrophobicContact CD2-CD1 4.39Å; L247-I251 HydrophobicContact CG-CD1 3.8Å; L247-I251 WeakPolarHBondContact O-CG1 3.36Å; L247-I251 PolarHBondContact O-N 3Å; C248-I251 WeakPolarHBondContact O-CB 3.24Å; C248-I251 PolarHBondContact O-N 3.48Å; K249-I251 VanDerWaalsContact C-N 3.35Å; I251-Q253 VanDerWaalsContact C-N 3.3Å; I251-Q253 PolarHBondContact O-N 2.94Å; I251-C254 PolarHBondContact O-N 2.95Å
252	E	88.1	Confident	89.8	Confident	86 Å²	86	66.4 Å²	66.4	40%	0.402	36%	0.355	S	S	.	.	H	α-helix	trans	-64.2	-35.1	179.2	-73.6	166.7	-174.9	0	0	112.8	H210 C248 K249 C254	H210-E252 IonicContact CE1-OE1 3.25Å; H210-E252 PolarHBondContact CE1-OE1 3.27Å; H210-E252 VanDerWaalsContact CE1-OE1 3.25Å; H210-E252 IonicContact NE2-OE1 3.37Å; H210-E252 PolarHBondContact NE2-OE1 3.09Å; C248-E252 WeakPolarHBondContact O-CB 3.37Å; C248-E252 WeakPolarHBondContact O-CG 3.43Å; C248-E252 PolarHBondContact O-N 2.92Å; K249-E252 PolarHBondContact O-N 2.89Å; E252-C254 VanDerWaalsContact C-N 3.32Å
253	Q	89.7	Confident	90.9	Very high	118 Å²	118	69.6 Å²	69.6	55%	0.551	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-5.7	179.3	-66.4	178.9	-21.3	0	0	113.2	K249 K250 I251 D255	K249-Q253 VanDerWaalsContact CE-NE2 3.34Å; K249-Q253 WeakPolarHBondContact O-CB 3.41Å; K249-Q253 VanDerWaalsContact O-CG 3.22Å; K249-Q253 WeakPolarHBondContact O-CG 3.44Å; K249-Q253 PolarHBondContact O-N 3.31Å; K250-Q253 PolarHBondContact O-N 2.89Å; I251-Q253 VanDerWaalsContact C-N 3.3Å; I251-Q253 PolarHBondContact O-N 2.94Å; Q253-D255 HydrophobicContact CB-CB 4.33Å; Q253-D255 PolarHBondContact O-N 2.97Å
254	C	90	Very high	91.7	Very high	31 Å²	31	65.1 Å²	65.1	21%	0.209	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	44.3	44.2	-167.2	-86.5	0	0	0	0	113.3	K250 I251 E252 Y256 I276 P278	K250-C254 WeakPolarHBondContact O-CA 3.24Å; K250-C254 PolarHBondContact O-N 3.3Å; I251-C254 PolarHBondContact O-N 2.95Å; E252-C254 VanDerWaalsContact C-N 3.32Å; C254-Y256 HydrophobicContact CB-CE1 4.31Å; C254-Y256 WeakPolarHBondContact O-CD1 3.4Å; C254-Y256 PolarHBondContact O-N 3.03Å; C254-I276 PolarHBondContact SG-O 3.05Å; C254-P278 HydrophobicContact CB-CG 4.09Å; C254-P278 WeakPolarHBondContact SG-CD 3.41Å; C254-P278 WeakPolarHBondContact SG-CG 3.43Å
255	D	91.3	Very high	92.5	Very high	87 Å²	87	63.2 Å²	63.2	47%	0.465	34%	0.337	S	S	.	.			trans	-88.9	100	178.7	174.7	33.7	0	0	0	110.1	K250 Q253	K250-D255 WeakPolarHBondContact CE-O 3.32Å; K250-D255 WeakPolarHBondContact CE-OD2 3.39Å; K250-D255 PolarHBondContact O-N 3Å; Q253-D255 HydrophobicContact CB-CB 4.33Å; Q253-D255 PolarHBondContact O-N 2.97Å
256	Y	94.7	Very high	93.2	Very high	37 Å²	37	60 Å²	60	15%	0.145	33%	0.329	C	S	.	.			trans	-143.7	152.7	173.1	58.4	-88.6	0	0	0	111.4	Y228 P236 F237 C254 V272 D273 I276	Y228-Y256 HydrophobicContact CD2-CD2 4.04Å; Y228-Y256 HydrophobicContact CD2-CE2 4.14Å; Y228-Y256 AromaticContact CE2-CD2 3.64Å; Y228-Y256 HydrophobicContact CE2-CD2 3.64Å; Y228-Y256 HydrophobicContact CE2-CE2 4.11Å; P236-Y256 HydrophobicContact CB-CD1 4.37Å; P236-Y256 HydrophobicContact CB-CD2 4.14Å; P236-Y256 HydrophobicContact CB-CG 3.83Å; P236-Y256 WeakPolarHBondContact O-CB 3.5Å; F237-Y256 AromaticContact CE1-CD1 3.76Å; F237-Y256 HydrophobicContact CE1-CD1 3.76Å; F237-Y256 AromaticContact CZ-CD1 3.99Å; F237-Y256 HydrophobicContact CZ-CD1 3.99Å; F237-Y256 HydrophobicContact CZ-CE1 4.47Å; C254-Y256 HydrophobicContact CB-CE1 4.31Å; C254-Y256 WeakPolarHBondContact O-CD1 3.4Å; C254-Y256 PolarHBondContact O-N 3.03Å; Y256-V272 HydrophobicContact CE2-CG1 4.4Å; Y256-D273 PolarHBondContact OH-OD1 3.42Å; Y256-I276 HydrophobicContact CE1-CB 4.44Å; Y256-I276 HydrophobicContact CE1-CG2 4.07Å
257	P	96.3	Very high	93.8	Very high	71 Å²	71	63.2 Å²	63.2	46%	0.461	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-62.2	142.4	-179.7	-21	32.7	0	0	0	112	Y228	Y228-P257 WeakPolarHBondContact CE2-O 3.42Å; Y228-P257 PolarHBondContact OH-O 2.78Å
258	P	97.1	Very high	94.4	Very high	122 Å²	122	63.2 Å²	63.2	79%	0.792	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-68.7	148.6	174.2	29	-34.5	0	0	0	111.2
259	L	98.2	Very high	94.9	Very high	15 Å²	15	65.4 Å²	65.4	8%	0.079	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-72.4	146.7	172.9	-65.7	175.9	0	0	0	111.3	Y228 A231 A232 A261 Y264 L268 R269 V272	Y228-L259 HydrophobicContact CD2-CD1 4.19Å; Y228-L259 HydrophobicContact CD2-CD2 3.68Å; Y228-L259 HydrophobicContact CD2-CG 3.83Å; Y228-L259 HydrophobicContact CE2-CD2 3.55Å; Y228-L259 HydrophobicContact CE2-CG 3.82Å; Y228-L259 HydrophobicContact CG-CD2 4.29Å; A231-L259 HydrophobicContact CB-CD1 3.78Å; A231-L259 HydrophobicContact CB-CD2 3.67Å; A231-L259 HydrophobicContact CB-CG 4.35Å; A232-L259 HydrophobicContact CB-CD2 3.78Å; L259-A261 PolarHBondContact O-N 3.24Å; L259-Y264 HydrophobicContact CB-CD2 4.34Å; L259-L268 HydrophobicContact CD1-CD2 3.52Å; L259-R269 HydrophobicContact CB-CG 3.96Å; L259-R269 HydrophobicContact CD1-CG 4.27Å; L259-V272 HydrophobicContact CD1-CG2 4.2Å
260	P	97.2	Very high	95.4	Very high	52 Å²	52	63.7 Å²	63.7	34%	0.338	34%	0.341	S	S	.	.			trans	-62.8	115.1	179.5	-20.2	31	0	0	0	112.8	L133 D262 H263 Y264	L133-P260 HydrophobicContact CD1-CG 4.35Å; P260-D262 WeakPolarHBondContact CB-OD1 3.47Å; P260-D262 PolarHBondContact O-N 3.2Å; P260-H263 HydrophobicContact CB-CB 4.38Å; P260-H263 PolarHBondContact O-N 2.78Å; P260-Y264 PolarHBondContact O-N 3.09Å
261	A	97.3	Very high	95.8	Very high	67 Å²	67	62 Å²	62	55%	0.554	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-16.6	-175.7	0	0	0	0	0	114.3	L259 H263	L259-A261 PolarHBondContact O-N 3.24Å; A261-H263 VanDerWaalsContact C-N 3.34Å
262	D	96.8	Very high	96.2	Very high	130 Å²	130	62 Å²	62	70%	0.695	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-16.9	174.1	62.7	-30.1	0	0	0	113	P260	P260-D262 WeakPolarHBondContact CB-OD1 3.47Å; P260-D262 PolarHBondContact O-N 3.2Å
263	H	97.1	Very high	96.7	Very high	103 Å²	103	61.7 Å²	61.7	48%	0.477	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-27	-179.7	-69.9	77.2	0	0	0	113.8	L133 P260 A261	L133-H263 HydrophobicContact CD1-CB 4.29Å; P260-H263 HydrophobicContact CB-CB 4.38Å; P260-H263 PolarHBondContact O-N 2.78Å; A261-H263 VanDerWaalsContact C-N 3.34Å
264	Y	98.4	Very high	97.1	Very high	3 Å²	3	59.3 Å²	59.3	1%	0.012	32%	0.324	C	S	.	.	S	Bend	trans	-128.9	129.1	-174.9	-57.3	-68.8	0	0	0	111.8	L133 I134 E136 V139 A231 L259 P260 L268 R269	L133-Y264 HydrophobicContact CD1-CE2 4.11Å; I134-Y264 WeakPolarHBondContact O-CE1 3.3Å; I134-Y264 PolarHBondContact O-OH 3.26Å; I134-Y264 VanDerWaalsContact O-OH 3.12Å; E136-Y264 HydrophobicContact CB-CD1 4.08Å; E136-Y264 HydrophobicContact CB-CE1 4.47Å; E136-Y264 HydrophobicContact CG-CD1 4.48Å; E136-Y264 WeakPolarHBondContact OE2-CA 3.13Å; V139-Y264 HydrophobicContact CG2-CE1 4.4Å; A231-Y264 VanDerWaalsContact CA-OH 3.28Å; A231-Y264 WeakPolarHBondContact CA-OH 3.43Å; A231-Y264 HydrophobicContact CB-CD1 4.25Å; A231-Y264 HydrophobicContact CB-CD2 4.12Å; A231-Y264 HydrophobicContact CB-CE1 3.91Å; A231-Y264 HydrophobicContact CB-CE2 3.74Å; A231-Y264 HydrophobicContact CB-CG 4.35Å; A231-Y264 VanDerWaalsContact O-CE2 3.29Å; A231-Y264 WeakPolarHBondContact O-CE2 3.45Å; A231-Y264 VanDerWaalsContact O-CZ 3.28Å; A231-Y264 PolarHBondContact O-OH 2.79Å; L259-Y264 HydrophobicContact CB-CD2 4.34Å; P260-Y264 PolarHBondContact O-N 3.09Å; Y264-L268 HydrophobicContact CD1-CD1 3.97Å; Y264-L268 HydrophobicContact CG-CD2 4.49Å; Y264-R269 PolarHBondContact O-NE 2.93Å; Y264-R269 VanDerWaalsContact O-NE 3.1Å
265	S	98.3	Very high	97.5	Very high	28 Å²	28	57.8 Å²	57.8	20%	0.196	31%	0.314	C	S	.	.			trans	-53.2	158	178.9	67.8	0	0	0	0	113.2	E136 E267 L268 R269	E136-S265 VanDerWaalsContact OE1-CB 3.25Å; E136-S265 WeakPolarHBondContact OE1-CB 3.03Å; E136-S265 PolarHBondContact OE1-OG 2.91Å; E136-S265 WeakPolarHBondContact OE2-CB 3.22Å; E136-S265 PolarHBondContact OE2-N 3.49Å; E136-S265 PolarHBondContact OE2-OG 3.18Å; S265-E267 VanDerWaalsContact CB-OE2 3.32Å; S265-E267 WeakPolarHBondContact CB-OE2 3.37Å; S265-E267 PolarHBondContact O-N 2.71Å; S265-L268 PolarHBondContact O-N 3.23Å; S265-L268 PolarHBondContact OG-N 3.34Å; S265-L268 VanDerWaalsContact OG-N 3.15Å; S265-R269 WeakPolarHBondContact O-CG 3.27Å; S265-R269 PolarHBondContact O-N 3.06Å; S265-R269 PolarHBondContact O-NE 3.35Å
266	E	98.3	Very high	97.8	Very high	113 Å²	113	53.8 Å²	53.8	53%	0.528	29%	0.293	S	S	.	.	H	α-helix	trans	-62.6	-36	173.7	-157.8	-167.9	137.3	0	0	110.9	L268 R269 N270	E266-L268 PolarHBondContact O-N 2.99Å; E266-R269 PolarHBondContact O-N 2.94Å; E266-N270 VanDerWaalsContact O-CB 3.24Å; E266-N270 WeakPolarHBondContact O-CB 3.43Å; E266-N270 PolarHBondContact O-N 3.49Å; E266-N270 PolarHBondContact O-ND2 3.14Å; E266-N270 PolarHBondContact OE1-ND2 3.21Å
267	E	98.4	Very high	97.9	Very high	103 Å²	103	54 Å²	54	48%	0.481	30%	0.297	S	S	.	.	H	α-helix	trans	-59.8	-44.5	177.6	-66.2	80	179.6	0	0	112.1	S265 L271 M296	S265-E267 VanDerWaalsContact CB-OE2 3.32Å; S265-E267 WeakPolarHBondContact CB-OE2 3.37Å; S265-E267 PolarHBondContact O-N 2.71Å; E267-L271 VanDerWaalsContact O-CB 3.27Å; E267-L271 WeakPolarHBondContact O-CB 3.16Å; E267-L271 PolarHBondContact O-N 2.99Å; E267-M296 HydrophobicContact CB-CE 3.8Å; E267-M296 HydrophobicContact CB-CG 4.42Å; E267-M296 HydrophobicContact CB-SD 3.81Å; E267-M296 HydrophobicContact CG-CE 4.2Å; E267-M296 HydrophobicContact CG-SD 3.9Å
268	L	98.8	Very high	97.8	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63.8	-47.8	176.1	-172.1	153.3	0	0	0	111	E136 V139 W140 L227 A231 L259 Y264 S265 E266 L271 V272	E136-L268 HydrophobicContact CG-CD1 3.96Å; V139-L268 HydrophobicContact CB-CD1 4.49Å; V139-L268 HydrophobicContact CG1-CD1 4.1Å; W140-L268 HydrophobicContact CH2-CB 4.48Å; W140-L268 HydrophobicContact CZ2-CB 3.7Å; W140-L268 HydrophobicContact CZ2-CD1 4.15Å; W140-L268 HydrophobicContact CZ2-CG 4.02Å; L227-L268 HydrophobicContact CD1-CD1 4.48Å; L227-L268 HydrophobicContact CD1-CG 4.4Å; A231-L268 HydrophobicContact CB-CD2 4.27Å; L259-L268 HydrophobicContact CD1-CD2 3.52Å; Y264-L268 HydrophobicContact CD1-CD1 3.97Å; Y264-L268 HydrophobicContact CG-CD2 4.49Å; S265-L268 PolarHBondContact O-N 3.23Å; S265-L268 PolarHBondContact OG-N 3.34Å; S265-L268 VanDerWaalsContact OG-N 3.15Å; E266-L268 PolarHBondContact O-N 2.99Å; L268-L271 PolarHBondContact O-N 2.63Å; L268-V272 HydrophobicContact CD2-CG2 4.25Å; L268-V272 WeakPolarHBondContact O-CG2 3.38Å; L268-V272 PolarHBondContact O-N 3.23Å
269	R	98.6	Very high	97.6	Very high	66 Å²	66	50.1 Å²	50.1	25%	0.249	27%	0.268	C	S	.	.	H	α-helix	trans	-63.8	-47.4	-177.6	-67.4	-175.6	-73.8	107.8	-1	111.4	L259 Y264 S265 E266 L271 V272 D273	L259-R269 HydrophobicContact CB-CG 3.96Å; L259-R269 HydrophobicContact CD1-CG 4.27Å; Y264-R269 PolarHBondContact O-NE 2.93Å; Y264-R269 VanDerWaalsContact O-NE 3.1Å; S265-R269 WeakPolarHBondContact O-CG 3.27Å; S265-R269 PolarHBondContact O-N 3.06Å; S265-R269 PolarHBondContact O-NE 3.35Å; E266-R269 PolarHBondContact O-N 2.94Å; R269-L271 VanDerWaalsContact C-N 3.32Å; R269-L271 PolarHBondContact O-N 3.19Å; R269-V272 WeakPolarHBondContact O-CB 3.22Å; R269-V272 PolarHBondContact O-N 3.28Å; R269-D273 PolarHBondContact O-N 3.29Å
270	N	98.5	Very high	97.5	Very high	64 Å²	64	50.7 Å²	50.7	34%	0.342	27%	0.273	S	S	.	.	H	α-helix	trans	-62.2	-39.3	176.8	-69.4	-10.4	0	0	0	111.3	E266 V272 D273 M274	E266-N270 VanDerWaalsContact O-CB 3.24Å; E266-N270 WeakPolarHBondContact O-CB 3.43Å; E266-N270 PolarHBondContact O-N 3.49Å; E266-N270 PolarHBondContact O-ND2 3.14Å; E266-N270 PolarHBondContact OE1-ND2 3.21Å; N270-V272 VanDerWaalsContact C-N 3.33Å; N270-V272 PolarHBondContact O-N 3.07Å; N270-D273 PolarHBondContact O-N 3.03Å; N270-M274 WeakPolarHBondContact O-CB 3.37Å; N270-M274 VanDerWaalsContact O-CG 3.24Å; N270-M274 WeakPolarHBondContact O-CG 3.38Å; N270-M274 PolarHBondContact O-N 3.48Å
271	L	98.8	Very high	97.4	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-64.6	-38	177	-173	63.6	0	0	0	112.1	W140 F143 L227 E267 L268 R269 C275 V289 I292	W140-L271 HydrophobicContact CH2-CD2 3.67Å; W140-L271 HydrophobicContact CZ3-CD2 3.9Å; F143-L271 HydrophobicContact CE1-CD2 4.02Å; L227-L271 HydrophobicContact CD2-CB 4.39Å; L227-L271 HydrophobicContact CD2-CD2 3.96Å; L227-L271 HydrophobicContact CD2-CG 4.18Å; E267-L271 VanDerWaalsContact O-CB 3.27Å; E267-L271 WeakPolarHBondContact O-CB 3.16Å; E267-L271 PolarHBondContact O-N 2.99Å; L268-L271 PolarHBondContact O-N 2.63Å; R269-L271 VanDerWaalsContact C-N 3.32Å; R269-L271 PolarHBondContact O-N 3.19Å; L271-C275 WeakPolarHBondContact O-CB 3.39Å; L271-C275 PolarHBondContact O-N 3.36Å; L271-C275 VanDerWaalsContact O-N 3.08Å; L271-C275 PolarHBondContact O-SG 3.12Å; L271-V289 HydrophobicContact CD1-CG1 4.3Å; L271-V289 HydrophobicContact CD1-CG2 4.2Å; L271-V289 HydrophobicContact CD2-CG1 4.25Å; L271-I292 HydrophobicContact CD2-CB 4.31Å; L271-I292 HydrophobicContact CD2-CG2 3.96Å
272	V	98.8	Very high	97.4	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.006	29%	0.29	C	S	.	.	H	α-helix	trans	-60.1	-52.2	171.6	169.7	0	0	0	0	110.2	L227 Y228 Y256 L259 L268 R269 N270 M274 C275 I276	L227-V272 HydrophobicContact CB-CG2 4.1Å; L227-V272 HydrophobicContact CD2-CG2 3.66Å; L227-V272 HydrophobicContact CG-CG2 3.66Å; Y228-V272 HydrophobicContact CD2-CG1 4.03Å; Y228-V272 HydrophobicContact CG-CG1 4.48Å; Y256-V272 HydrophobicContact CE2-CG1 4.4Å; L259-V272 HydrophobicContact CD1-CG2 4.2Å; L268-V272 HydrophobicContact CD2-CG2 4.25Å; L268-V272 WeakPolarHBondContact O-CG2 3.38Å; L268-V272 PolarHBondContact O-N 3.23Å; R269-V272 WeakPolarHBondContact O-CB 3.22Å; R269-V272 PolarHBondContact O-N 3.28Å; N270-V272 VanDerWaalsContact C-N 3.33Å; N270-V272 PolarHBondContact O-N 3.07Å; V272-M274 VanDerWaalsContact C-N 3.28Å; V272-M274 PolarHBondContact O-N 3.4Å; V272-C275 PolarHBondContact O-N 3.45Å; V272-C275 VanDerWaalsContact O-N 3.09Å; V272-I276 HydrophobicContact CG1-CD1 3.63Å; V272-I276 HydrophobicContact CG1-CG1 4.27Å; V272-I276 WeakPolarHBondContact O-CG1 3.44Å; V272-I276 PolarHBondContact O-N 3.22Å
273	D	98	Very high	97.5	Very high	81 Å²	81	52.3 Å²	52.3	43%	0.433	26%	0.258	S	S	.	.	H	α-helix	trans	-59.6	-39.5	-178.1	-64.9	-12.4	0	0	0	112	Y256 R269 N270	Y256-D273 PolarHBondContact OH-OD1 3.42Å; R269-D273 PolarHBondContact O-N 3.29Å; N270-D273 PolarHBondContact O-N 3.03Å
274	M	98.3	Very high	97.6	Very high	67 Å²	67	48.1 Å²	48.1	33%	0.33	24%	0.24	S	C	.	.	H	α-helix	trans	-64.3	-42.4	175.2	-74	179.7	71.2	0	0	112.5	N270 V272 P284 Y288	N270-M274 WeakPolarHBondContact O-CB 3.37Å; N270-M274 VanDerWaalsContact O-CG 3.24Å; N270-M274 WeakPolarHBondContact O-CG 3.38Å; N270-M274 PolarHBondContact O-N 3.48Å; V272-M274 VanDerWaalsContact C-N 3.28Å; V272-M274 PolarHBondContact O-N 3.4Å; M274-P284 HydrophobicContact CB-CG 4.36Å; M274-P284 HydrophobicContact CE-CB 4.28Å; M274-P284 HydrophobicContact CE-CG 4.3Å; M274-P284 WeakPolarHBondContact O-CD 3.35Å; M274-Y288 HydrophobicContact CE-CD1 4.28Å; M274-Y288 HydrophobicContact CE-CE1 3.55Å; M274-Y288 HydrophobicContact SD-CE1 4.16Å
275	C	98.6	Very high	97.6	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-74.3	-36.6	-178.7	-67	0	0	0	0	112.4	I220 W221 L271 V272 N277 R283	I220-C275 HydrophobicContact CG2-CB 4.03Å; W221-C275 WeakPolarHBondContact CA-O 3.43Å; L271-C275 WeakPolarHBondContact O-CB 3.39Å; L271-C275 PolarHBondContact O-N 3.36Å; L271-C275 VanDerWaalsContact O-N 3.08Å; L271-C275 PolarHBondContact O-SG 3.12Å; V272-C275 PolarHBondContact O-N 3.45Å; V272-C275 VanDerWaalsContact O-N 3.09Å; C275-N277 PolarHBondContact O-N 2.67Å; C275-R283 WeakPolarHBondContact O-CD 3.5Å
276	I	97.5	Very high	97.6	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.01	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	44.1	-179.9	-46	178.5	0	0	0	110	W221 P236 F237 C254 Y256 V272	W221-I276 HydrophobicContact CD2-CG2 4.23Å; W221-I276 HydrophobicContact CE3-CB 4.4Å; W221-I276 HydrophobicContact CE3-CG2 3.92Å; W221-I276 HydrophobicContact CH2-CG2 3.49Å; W221-I276 VanDerWaalsContact CH2-CG2 3.49Å; W221-I276 HydrophobicContact CZ2-CG2 3.81Å; W221-I276 HydrophobicContact CZ3-CB 4.32Å; W221-I276 HydrophobicContact CZ3-CG2 3.54Å; P236-I276 HydrophobicContact CB-CD1 4.45Å; P236-I276 HydrophobicContact CG-CD1 4.11Å; F237-I276 HydrophobicContact CE2-CG2 3.79Å; F237-I276 HydrophobicContact CZ-CG2 3.52Å; C254-I276 PolarHBondContact SG-O 3.05Å; Y256-I276 HydrophobicContact CE1-CB 4.44Å; Y256-I276 HydrophobicContact CE1-CG2 4.07Å; V272-I276 HydrophobicContact CG1-CD1 3.63Å; V272-I276 HydrophobicContact CG1-CG1 4.27Å; V272-I276 WeakPolarHBondContact O-CG1 3.44Å; V272-I276 PolarHBondContact O-N 3.22Å
277	N	96.9	Very high	97.6	Very high	42 Å²	42	48.9 Å²	48.9	23%	0.225	25%	0.253	C	S	.	.			trans	-84.9	133.8	171.5	-160.9	-68.7	0	0	0	110.1	W221 C275 D279 K282 R283	W221-N277 WeakPolarHBondContact CZ3-O 3.45Å; C275-N277 PolarHBondContact O-N 2.67Å; N277-D279 PolarHBondContact O-N 3.08Å; N277-D279 WeakPolarHBondContact OD1-CB 3.47Å; N277-D279 PolarHBondContact OD1-N 3.36Å; N277-K282 HydrophobicContact CB-CB 4.29Å; N277-R283 HydrophobicContact CB-CG 3.98Å; N277-R283 PolarHBondContact O-NE 3.41Å; N277-R283 PolarHBondContact O-NH2 3.21Å
278	P	93.5	Very high	97.6	Very high	50 Å²	50	49.4 Å²	49.4	33%	0.325	25%	0.251	S	S	.	.	S	Bend	trans	-57.2	-38	178	-22.8	30.9	0	0	0	112.5	P206 C254 P280 R283	P206-P278 HydrophobicContact CG-CB 4.49Å; C254-P278 HydrophobicContact CB-CG 4.09Å; C254-P278 WeakPolarHBondContact SG-CD 3.41Å; C254-P278 WeakPolarHBondContact SG-CG 3.43Å; P278-P280 WeakPolarHBondContact O-CD 3.42Å; P278-R283 PolarHBondContact O-NH2 3.46Å; P278-R283 VanDerWaalsContact O-NH2 3.09Å
279	D	94.2	Very high	97.6	Very high	61 Å²	61	49.4 Å²	49.4	33%	0.326	25%	0.251	S	S	.	.	S	Bend	trans	-82.4	113.4	179.5	-177	-8.8	0	0	0	110.3	N277 E281 K282	N277-D279 PolarHBondContact O-N 3.08Å; N277-D279 WeakPolarHBondContact OD1-CB 3.47Å; N277-D279 PolarHBondContact OD1-N 3.36Å; D279-E281 PolarHBondContact O-N 2.79Å; D279-E281 WeakPolarHBondContact OD1-CB 3.4Å; D279-E281 PolarHBondContact OD1-N 3.19Å; D279-K282 HydrophobicContact CB-CB 4.3Å; D279-K282 HydrophobicContact CB-CD 4Å; D279-K282 HydrophobicContact CB-CG 4.05Å; D279-K282 PolarHBondContact O-N 3.34Å; D279-K282 VanDerWaalsContact O-N 3.14Å; D279-K282 WeakPolarHBondContact OD2-CE 3.39Å
280	P	95.3	Very high	97.6	Very high	28 Å²	28	48.5 Å²	48.5	18%	0.182	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-24.7	-179.3	26.4	-34.5	0	0	0	113.4	K217 P278 K282 R283	K217-P280 HydrophobicContact CB-CB 3.79Å; K217-P280 HydrophobicContact CG-CB 4.37Å; K217-P280 VanDerWaalsContact CG-O 3.31Å; K217-P280 WeakPolarHBondContact CG-O 3.36Å; K217-P280 PolarHBondContact NZ-O 3.43Å; P278-P280 WeakPolarHBondContact O-CD 3.42Å; P280-K282 VanDerWaalsContact C-N 3.31Å; P280-R283 PolarHBondContact O-N 3.48Å
281	E	95.9	Very high	97.6	Very high	140 Å²	140	47 Å²	47	65%	0.654	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-27	178.9	-64.2	-51.9	125.6	0	0	112	D279	D279-E281 PolarHBondContact O-N 2.79Å; D279-E281 WeakPolarHBondContact OD1-CB 3.4Å; D279-E281 PolarHBondContact OD1-N 3.19Å
282	K	97.5	Very high	97.6	Very high	139 Å²	139	49 Å²	49	60%	0.604	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-15.1	174.9	-65.2	-177.7	-173.3	173	0	113.6	N277 D279 P280	N277-K282 HydrophobicContact CB-CB 4.29Å; D279-K282 HydrophobicContact CB-CB 4.3Å; D279-K282 HydrophobicContact CB-CD 4Å; D279-K282 HydrophobicContact CB-CG 4.05Å; D279-K282 PolarHBondContact O-N 3.34Å; D279-K282 VanDerWaalsContact O-N 3.14Å; D279-K282 WeakPolarHBondContact OD2-CE 3.39Å; P280-K282 VanDerWaalsContact C-N 3.31Å
283	R	98.4	Very high	97.6	Very high	4 Å²	4	49 Å²	49	2%	0.015	26%	0.258	C	S	.	.	S	Bend	trans	-71.3	139.8	174.9	-58.7	177.6	-157	148.5	11.1	109.6	E207 K217 I220 C275 N277 P278 P280	E207-R283 IonicContact OE1-CZ 2.81Å; E207-R283 IonicContact OE1-NH1 2.66Å; E207-R283 PolarHBondContact OE1-NH1 3.03Å; E207-R283 IonicContact OE1-NH2 3.92Å; E207-R283 IonicContact OE2-CZ 3.63Å; E207-R283 IonicContact OE2-NH1 3.58Å; E207-R283 PolarHBondContact OE2-NH1 3.05Å; E207-R283 IonicContact OE2-NH2 3.68Å; E207-R283 PolarHBondContact OE2-NH2 3.41Å; K217-R283 HydrophobicContact CD-CB 4.26Å; K217-R283 WeakPolarHBondContact CE-O 3.4Å; K217-R283 PolarHBondContact NZ-O 2.55Å; K217-R283 WeakPolarHBondContact O-CD 3.4Å; K217-R283 PolarHBondContact O-NH1 3.4Å; I220-R283 HydrophobicContact CG2-CB 4.2Å; C275-R283 WeakPolarHBondContact O-CD 3.5Å; N277-R283 HydrophobicContact CB-CG 3.98Å; N277-R283 PolarHBondContact O-NE 3.41Å; N277-R283 PolarHBondContact O-NH2 3.21Å; P278-R283 PolarHBondContact O-NH2 3.46Å; P278-R283 VanDerWaalsContact O-NH2 3.09Å; P280-R283 PolarHBondContact O-N 3.48Å
284	P	98.4	Very high	97.6	Very high	14 Å²	14	50 Å²	50	9%	0.091	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-64.9	164.1	175.2	28.6	-35	0	0	0	111.3	I220 M274 Y288 V289	I220-P284 HydrophobicContact CG2-CG 4.35Å; M274-P284 HydrophobicContact CB-CG 4.36Å; M274-P284 HydrophobicContact CE-CB 4.28Å; M274-P284 HydrophobicContact CE-CG 4.3Å; M274-P284 WeakPolarHBondContact O-CD 3.35Å; P284-Y288 HydrophobicContact CB-CD1 3.58Å; P284-Y288 HydrophobicContact CB-CE1 4.37Å; P284-Y288 HydrophobicContact CB-CG 4.09Å; P284-Y288 HydrophobicContact CG-CD1 4.26Å; P284-V289 HydrophobicContact CB-CG2 4.11Å; P284-V289 HydrophobicContact CG-CG2 3.57Å
285	D	98.2	Very high	97.6	Very high	92 Å²	92	52.4 Å²	52.4	49%	0.492	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-77.7	167.4	163.8	66.7	39.9	0	0	0	111.2	A287 Y288 V289	D285-A287 VanDerWaalsContact C-N 3.26Å; D285-A287 PolarHBondContact O-N 3.4Å; D285-A287 WeakPolarHBondContact OD1-CA 3.47Å; D285-A287 WeakPolarHBondContact OD1-CB 3.44Å; D285-A287 PolarHBondContact OD1-N 3.44Å; D285-Y288 PolarHBondContact O-N 3.23Å; D285-Y288 PolarHBondContact OD1-N 3.41Å; D285-V289 WeakPolarHBondContact O-CG2 3.23Å; D285-V289 PolarHBondContact O-N 3.4Å
286	I	98.5	Very high	97.6	Very high	12 Å²	12	52.9 Å²	52.9	6%	0.062	27%	0.271	C	S	.	.	H	α-helix	trans	-66.9	-26.9	-179.3	-171.5	51.1	0	0	0	113	C147 L150 E151 H154 I220 L223 V289 Y290	C147-I286 HydrophobicContact CB-CD1 4.47Å; L150-I286 HydrophobicContact CB-CD1 4.03Å; L150-I286 HydrophobicContact CB-CG1 4.05Å; L150-I286 HydrophobicContact CD2-CD1 3.79Å; L150-I286 HydrophobicContact CD2-CG1 4.21Å; L150-I286 HydrophobicContact CG-CD1 4.11Å; L150-I286 HydrophobicContact CG-CG1 4.05Å; E151-I286 HydrophobicContact CB-CG1 3.93Å; E151-I286 HydrophobicContact CB-CG2 4.28Å; E151-I286 HydrophobicContact CG-CG2 4.3Å; H154-I286 HydrophobicContact CB-CG2 3.8Å; I220-I286 HydrophobicContact CD1-CB 3.87Å; I220-I286 HydrophobicContact CD1-CD1 4.17Å; L223-I286 HydrophobicContact CD2-CD1 3.77Å; I286-V289 HydrophobicContact CD1-CB 4.32Å; I286-V289 PolarHBondContact O-N 3.3Å; I286-Y290 WeakPolarHBondContact O-CB 3.31Å; I286-Y290 PolarHBondContact O-N 3.2Å
287	A	98.5	Very high	97.5	Very high	56 Å²	56	55.1 Å²	55.1	46%	0.463	28%	0.282	S	S	.	.	H	α-helix	trans	-67.8	-41	179.9	0	0	0	0	0	110.8	D285 G291	D285-A287 VanDerWaalsContact C-N 3.26Å; D285-A287 PolarHBondContact O-N 3.4Å; D285-A287 WeakPolarHBondContact OD1-CA 3.47Å; D285-A287 WeakPolarHBondContact OD1-CB 3.44Å; D285-A287 PolarHBondContact OD1-N 3.44Å; A287-G291 PolarHBondContact O-N 3.11Å
288	Y	98.6	Very high	97.4	Very high	115 Å²	115	57.2 Å²	57.2	45%	0.451	30%	0.299	S	S	.	.	H	α-helix	trans	-62	-51.6	173	-179	-88.9	0	0	0	111.6	M274 P284 D285 Y290 G291 I292	M274-Y288 HydrophobicContact CE-CD1 4.28Å; M274-Y288 HydrophobicContact CE-CE1 3.55Å; M274-Y288 HydrophobicContact SD-CE1 4.16Å; P284-Y288 HydrophobicContact CB-CD1 3.58Å; P284-Y288 HydrophobicContact CB-CE1 4.37Å; P284-Y288 HydrophobicContact CB-CG 4.09Å; P284-Y288 HydrophobicContact CG-CD1 4.26Å; D285-Y288 PolarHBondContact O-N 3.23Å; D285-Y288 PolarHBondContact OD1-N 3.41Å; Y288-Y290 VanDerWaalsContact C-N 3.29Å; Y288-Y290 PolarHBondContact O-N 3.05Å; Y288-G291 WeakPolarHBondContact O-CA 2.91Å; Y288-G291 PolarHBondContact O-N 3.29Å; Y288-I292 HydrophobicContact CD1-CG1 4.35Å; Y288-I292 HydrophobicContact CE1-CD1 4.48Å; Y288-I292 HydrophobicContact CE1-CG1 3.91Å; Y288-I292 PolarHBondContact O-N 3.23Å
289	V	98.8	Very high	97.4	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-58	-43.6	179.2	178.4	0	0	0	0	110.8	F143 L223 L271 P284 D285 I286 G291 I292 A293	F143-V289 HydrophobicContact CE1-CG1 4.06Å; F143-V289 HydrophobicContact CZ-CG1 4.12Å; L223-V289 HydrophobicContact CD2-CG1 3.95Å; L271-V289 HydrophobicContact CD1-CG1 4.3Å; L271-V289 HydrophobicContact CD1-CG2 4.2Å; L271-V289 HydrophobicContact CD2-CG1 4.25Å; P284-V289 HydrophobicContact CB-CG2 4.11Å; P284-V289 HydrophobicContact CG-CG2 3.57Å; D285-V289 WeakPolarHBondContact O-CG2 3.23Å; D285-V289 PolarHBondContact O-N 3.4Å; I286-V289 HydrophobicContact CD1-CB 4.32Å; I286-V289 PolarHBondContact O-N 3.3Å; V289-G291 PolarHBondContact O-N 2.73Å; V289-I292 PolarHBondContact O-N 3.24Å; V289-A293 PolarHBondContact O-N 3Å
290	Y	98.8	Very high	97.3	Very high	47 Å²	47	56.4 Å²	56.4	18%	0.184	30%	0.296	C	S	.	.	H	α-helix	trans	-66.2	-36.5	177.1	-176.5	-148	0	0	0	112.6	V144 C147 S148 E151 I286 Y288 A293 K294	V144-Y290 HydrophobicContact CG2-CD2 4.2Å; V144-Y290 HydrophobicContact CG2-CE2 3.77Å; V144-Y290 WeakPolarHBondContact O-CE2 3.41Å; C147-Y290 HydrophobicContact CB-CD2 3.63Å; C147-Y290 HydrophobicContact CB-CG 4.09Å; S148-Y290 PolarHBondContact OG-OH 3.36Å; E151-Y290 HydrophobicContact CB-CD1 4.24Å; E151-Y290 HydrophobicContact CG-CD1 4.15Å; I286-Y290 WeakPolarHBondContact O-CB 3.31Å; I286-Y290 PolarHBondContact O-N 3.2Å; Y288-Y290 VanDerWaalsContact C-N 3.29Å; Y288-Y290 PolarHBondContact O-N 3.05Å; Y290-A293 PolarHBondContact O-N 3.03Å; Y290-K294 HydrophobicContact CD2-CD 4.26Å; Y290-K294 HydrophobicContact CD2-CG 3.92Å; Y290-K294 HydrophobicContact CE1-CD 4.12Å; Y290-K294 HydrophobicContact CE2-CD 3.75Å; Y290-K294 HydrophobicContact CE2-CG 3.53Å; Y290-K294 WeakPolarHBondContact O-CG 3.04Å; Y290-K294 PolarHBondContact O-N 3.45Å
291	G	98.6	Very high	96.5	Very high	33 Å²	33	60.7 Å²	60.7	34%	0.34	31%	0.314	S	S	.	.	H	α-helix	trans	-56.6	-50.2	172.9	0	0	0	0	0	112.2	A287 Y288 V289 K294 H295	A287-G291 PolarHBondContact O-N 3.11Å; Y288-G291 WeakPolarHBondContact O-CA 2.91Å; Y288-G291 PolarHBondContact O-N 3.29Å; V289-G291 PolarHBondContact O-N 2.73Å; G291-K294 PolarHBondContact O-N 3.05Å; G291-H295 PolarHBondContact O-N 2.89Å; G291-H295 VanDerWaalsContact O-N 3.1Å
292	I	98.6	Very high	94.8	Very high	45 Å²	45	57.6 Å²	57.6	23%	0.231	32%	0.319	C	S	.	.	H	α-helix	trans	-61.7	-47.1	175.9	-59.8	-60.7	0	0	0	110.8	W140 L271 Y288 V289 K294 H295 M296	W140-I292 HydrophobicContact CH2-CG2 4.28Å; L271-I292 HydrophobicContact CD2-CB 4.31Å; L271-I292 HydrophobicContact CD2-CG2 3.96Å; Y288-I292 HydrophobicContact CD1-CG1 4.35Å; Y288-I292 HydrophobicContact CE1-CD1 4.48Å; Y288-I292 HydrophobicContact CE1-CG1 3.91Å; Y288-I292 PolarHBondContact O-N 3.23Å; V289-I292 PolarHBondContact O-N 3.24Å; I292-K294 VanDerWaalsContact C-N 3.31Å; I292-K294 PolarHBondContact O-N 3.47Å; I292-H295 PolarHBondContact O-N 3.2Å; I292-H295 VanDerWaalsContact O-N 3.15Å; I292-M296 HydrophobicContact CG2-CG 4.01Å; I292-M296 WeakPolarHBondContact O-CB 3.49Å; I292-M296 WeakPolarHBondContact O-CG 3.43Å; I292-M296 PolarHBondContact O-N 3.43Å
293	A	98.6	Very high	92.3	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-60.2	-39.2	-178.8	0	0	0	0	0	112.9	W140 F143 V144 C147 V289 Y290 Q297	W140-A293 HydrophobicContact CE3-CB 4.14Å; W140-A293 HydrophobicContact CZ3-CB 4.06Å; F143-A293 HydrophobicContact CD1-CB 3.99Å; F143-A293 HydrophobicContact CE1-CB 4.34Å; V144-A293 HydrophobicContact CB-CB 4.01Å; V144-A293 HydrophobicContact CG2-CB 4.09Å; C147-A293 HydrophobicContact CB-CB 4.49Å; V289-A293 PolarHBondContact O-N 3Å; Y290-A293 PolarHBondContact O-N 3.03Å; A293-Q297 VanDerWaalsContact O-CB 3.26Å; A293-Q297 WeakPolarHBondContact O-CB 3.47Å; A293-Q297 PolarHBondContact O-N 3.17Å
294	K	98.3	Very high	92	Very high	104 Å²	104	61.3 Å²	61.3	45%	0.452	36%	0.357	S	S	.	.	H	α-helix	trans	-65.1	-45.8	174.2	-76.5	-176	-66.1	-175.6	0	112.1	V144 Y290 G291 I292 S298	V144-K294 HydrophobicContact CG2-CB 4.44Å; V144-K294 HydrophobicContact CG2-CG 3.77Å; Y290-K294 HydrophobicContact CD2-CD 4.26Å; Y290-K294 HydrophobicContact CD2-CG 3.92Å; Y290-K294 HydrophobicContact CE1-CD 4.12Å; Y290-K294 HydrophobicContact CE2-CD 3.75Å; Y290-K294 HydrophobicContact CE2-CG 3.53Å; Y290-K294 WeakPolarHBondContact O-CG 3.04Å; Y290-K294 PolarHBondContact O-N 3.45Å; G291-K294 PolarHBondContact O-N 3.05Å; I292-K294 VanDerWaalsContact C-N 3.31Å; I292-K294 PolarHBondContact O-N 3.47Å; K294-S298 PolarHBondContact O-N 3.35Å; K294-S298 VanDerWaalsContact O-N 3.16Å
295	H	98	Very high	91.7	Very high	116 Å²	116	63.7 Å²	63.7	54%	0.537	37%	0.371	S	S	.	.	H	α-helix	trans	-59.7	-51.9	178.4	178.1	66.8	0	0	0	110.8	G291 I292 Q297 S298 V299	G291-H295 PolarHBondContact O-N 2.89Å; G291-H295 VanDerWaalsContact O-N 3.1Å; I292-H295 PolarHBondContact O-N 3.2Å; I292-H295 VanDerWaalsContact O-N 3.15Å; H295-Q297 PolarHBondContact O-N 3Å; H295-S298 WeakPolarHBondContact O-CB 3.22Å; H295-S298 PolarHBondContact O-N 3.1Å; H295-S298 VanDerWaalsContact O-N 3.12Å; H295-V299 WeakPolarHBondContact O-CG2 3.34Å; H295-V299 PolarHBondContact O-N 3.37Å
296	M	98.1	Very high	91.3	Very high	10 Å²	10	62.2 Å²	62.2	5%	0.049	37%	0.365	C	S	.	.	H	α-helix	trans	-66.9	-34.9	-178	-65.8	-55.9	-66.9	0	0	113	W140 E267 I292 S298 V299 T300	W140-M296 HydrophobicContact CD2-CB 3.51Å; W140-M296 HydrophobicContact CD2-CG 4.37Å; W140-M296 VanDerWaalsContact CE2-CB 3.4Å; W140-M296 HydrophobicContact CE3-CB 3.99Å; W140-M296 HydrophobicContact CG-CB 3.85Å; W140-M296 HydrophobicContact CH2-CB 4.25Å; W140-M296 HydrophobicContact CH2-CG 4.11Å; W140-M296 HydrophobicContact CZ2-CB 3.79Å; W140-M296 HydrophobicContact CZ2-CE 4.39Å; W140-M296 HydrophobicContact CZ2-CG 3.71Å; W140-M296 HydrophobicContact CZ3-CB 4.34Å; E267-M296 HydrophobicContact CB-CE 3.8Å; E267-M296 HydrophobicContact CB-CG 4.42Å; E267-M296 HydrophobicContact CB-SD 3.81Å; E267-M296 HydrophobicContact CG-CE 4.2Å; E267-M296 HydrophobicContact CG-SD 3.9Å; I292-M296 HydrophobicContact CG2-CG 4.01Å; I292-M296 WeakPolarHBondContact O-CB 3.49Å; I292-M296 WeakPolarHBondContact O-CG 3.43Å; I292-M296 PolarHBondContact O-N 3.43Å; M296-S298 VanDerWaalsContact C-N 3.33Å; M296-S298 PolarHBondContact O-N 3.24Å; M296-V299 PolarHBondContact O-N 3.25Å; M296-T300 WeakPolarHBondContact O-CB 3.34Å; M296-T300 WeakPolarHBondContact O-CG2 3Å; M296-T300 PolarHBondContact O-N 3.05Å; M296-T300 PolarHBondContact O-OG1 3.07Å
297	Q	96.6	Very high	90.9	Very high	49 Å²	49	65.1 Å²	65.1	23%	0.229	38%	0.383	C	S	.	.	H	α-helix	trans	-59.7	-44.4	171.6	-174.9	-165.7	31.1	0	0	111.3	W140 V144 A293 H295 T300 Q301	W140-Q297 HydrophobicContact CB-CB 4.33Å; V144-Q297 HydrophobicContact CG1-CB 4.4Å; V144-Q297 VanDerWaalsContact CG1-CD 3.48Å; V144-Q297 HydrophobicContact CG1-CG 4.23Å; A293-Q297 VanDerWaalsContact O-CB 3.26Å; A293-Q297 WeakPolarHBondContact O-CB 3.47Å; A293-Q297 PolarHBondContact O-N 3.17Å; H295-Q297 PolarHBondContact O-N 3Å; Q297-T300 PolarHBondContact O-OG1 3.49Å; Q297-Q301 HydrophobicContact CG-CG 4.46Å; Q297-Q301 VanDerWaalsContact CG-NE2 3.35Å; Q297-Q301 WeakPolarHBondContact O-CB 3.5Å; Q297-Q301 VanDerWaalsContact O-CG 3.27Å; Q297-Q301 WeakPolarHBondContact O-CG 3.47Å; Q297-Q301 PolarHBondContact O-N 2.87Å; Q297-Q301 VanDerWaalsContact O-N 3.1Å
298	S	94.6	Very high	90.4	Very high	86 Å²	86	65.7 Å²	65.7	60%	0.601	38%	0.377	S	S	*	.	H	α-helix	trans	-63.5	-48.9	178.8	-173.8	0	0	0	0	111.5	K294 H295 M296 T300 Q301 G302	K294-S298 PolarHBondContact O-N 3.35Å; K294-S298 VanDerWaalsContact O-N 3.16Å; H295-S298 WeakPolarHBondContact O-CB 3.22Å; H295-S298 PolarHBondContact O-N 3.1Å; H295-S298 VanDerWaalsContact O-N 3.12Å; M296-S298 VanDerWaalsContact C-N 3.33Å; M296-S298 PolarHBondContact O-N 3.24Å; S298-T300 VanDerWaalsContact C-N 3.34Å; S298-T300 PolarHBondContact O-N 3.32Å; S298-Q301 PolarHBondContact O-N 2.98Å; S298-G302 PolarHBondContact O-N 3.18Å
299	V	93.8	Very high	89.9	Confident	69 Å²	69	62.4 Å²	62.4	42%	0.418	37%	0.373	S	S	.	.	H	α-helix	trans	-60.4	-42.7	-180	173.5	0	0	0	0	111.5	H295 M296	H295-V299 WeakPolarHBondContact O-CG2 3.34Å; H295-V299 PolarHBondContact O-N 3.37Å; M296-V299 PolarHBondContact O-N 3.25Å
300	T	90.9	Very high	89.2	Confident	25 Å²	25	66.9 Å²	66.9	15%	0.153	40%	0.399	C	S	.	.	H	α-helix	trans	-84.4	-10.5	-176.1	58.3	0	0	0	0	114.8	M296 Q297 S298	M296-T300 WeakPolarHBondContact O-CB 3.34Å; M296-T300 WeakPolarHBondContact O-CG2 3Å; M296-T300 PolarHBondContact O-N 3.05Å; M296-T300 PolarHBondContact O-OG1 3.07Å; Q297-T300 PolarHBondContact O-OG1 3.49Å; S298-T300 VanDerWaalsContact C-N 3.34Å; S298-T300 PolarHBondContact O-N 3.32Å
301	Q	79	Confident	88.5	Confident	119 Å²	119	68.4 Å²	68.4	56%	0.556	42%	0.416	S	S	*	.	H	α-helix	trans	-91.6	-21.6	171.8	-75.9	-175.6	14.3	0	0	113.3	Q297 S298 C303	Q297-Q301 HydrophobicContact CG-CG 4.46Å; Q297-Q301 VanDerWaalsContact CG-NE2 3.35Å; Q297-Q301 WeakPolarHBondContact O-CB 3.5Å; Q297-Q301 VanDerWaalsContact O-CG 3.27Å; Q297-Q301 WeakPolarHBondContact O-CG 3.47Å; Q297-Q301 PolarHBondContact O-N 2.87Å; Q297-Q301 VanDerWaalsContact O-N 3.1Å; S298-Q301 PolarHBondContact O-N 2.98Å; Q301-C303 VanDerWaalsContact C-N 3.28Å
302	G	59	Low	87.6	Confident	74 Å²	74	71.3 Å²	71.3	76%	0.763	42%	0.422	S	S	*	.			trans	-79.1	-4.9	174.9	0	0	0	0	0	114.9	S298	S298-G302 PolarHBondContact O-N 3.18Å
303	C	46.2	Very low	86.6	Confident	159 Å²	159	73.7 Å²	73.7	100%	1.074	44%	0.439	S	S	*	.			trans	-109.3	0	-177.9	-68.7	0	0	0	0	112.9	Q301	Q301-C303 VanDerWaalsContact C-N 3.28Å

Retrieved 303 of 303 residues in 254.5 ms (Link to these results)

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