A0A5K4F102_SCHMA Loading...

Glycoprotein endo-alpha-1,2-mannosidase-like

AlphaFold DB , UniProt , Accession A0A5K4F102, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 442 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	28.9	Very low	28.4	Very low	253 Å²	253	169.7 Å²	169.7	100%	1.246	86%	0.859	S	S	*	*				0	39.6	0	-152.8	172.9	-177.8	0	0	111.8
2	A	32.7	Very low	28.2	Very low	96 Å²	96	170.7 Å²	170.7	79%	0.793	85%	0.854	S	S	*	*			trans	-161.6	77.7	176.3	0	0	0	0	0	109.1
3	L	29.6	Very low	28.1	Very low	178 Å²	178	172.2 Å²	172.2	93%	0.932	85%	0.846	S	S	*	*			trans	-160.4	51.5	172.9	-111.1	145.2	0	0	0	109.4
4	M	26.9	Very low	28	Very low	169 Å²	169	172.3 Å²	172.3	83%	0.833	84%	0.843	S	S	*	*			trans	-155.5	106.9	169.9	-89.4	-178	73	0	0	106.1
5	F	31.9	Very low	28.4	Very low	204 Å²	204	165.5 Å²	165.5	90%	0.895	82%	0.82	S	S	*	*			trans	168.7	86.4	145.5	-93.8	-67.1	0	0	0	107.9
6	L	32.5	Very low	28.4	Very low	185 Å²	185	165.1 Å²	165.1	97%	0.969	82%	0.822	S	S	*	*			trans	-165.8	67.5	151.8	-99.2	148.2	0	0	0	106.5
7	R	25.5	Very low	28.3	Very low	219 Å²	219	164.1 Å²	164.1	83%	0.826	82%	0.817	S	S	*	*			trans	-101.1	124.8	165.6	-95.3	-169.1	177.1	-158.2	0.9	108.4
8	Q	26.3	Very low	28.2	Very low	149 Å²	149	161.7 Å²	161.7	70%	0.696	81%	0.812	S	S	*	*			trans	68.7	87.1	141	-67.4	173.7	-36.2	0	0	118.1
9	L	28.2	Very low	28	Very low	172 Å²	172	158 Å²	158	90%	0.901	80%	0.8	S	S	*	*			trans	-119.2	76.6	134.5	-96.3	152.8	0	0	0	107.2	M11	L9-M11 VanDerWaalsContact C-N 3.32Å; L9-M11 PolarHBondContact O-N 3.15Å
10	S	24.4	Very low	28.1	Very low	83 Å²	83	154.7 Å²	154.7	58%	0.58	78%	0.784	S	S	*	*			trans	-81.6	80.2	168.5	54.3	0	0	0	0	108.5	F12	S10-F12 PolarHBondContact O-N 3.02Å
11	M	25.9	Very low	28.1	Very low	159 Å²	159	151.4 Å²	151.4	78%	0.783	78%	0.775	S	S	*	*			trans	-80.7	106.3	153.8	-92.8	-178.6	174.3	0	0	106.3	L9 Y13	L9-M11 VanDerWaalsContact C-N 3.32Å; L9-M11 PolarHBondContact O-N 3.15Å; M11-Y13 PolarHBondContact O-N 3.27Å
12	F	25.8	Very low	28.1	Very low	181 Å²	181	141.1 Å²	141.1	79%	0.794	73%	0.725	S	S	*	*			trans	-63.4	85.9	168.6	-76.4	-94.6	0	0	0	108.7	S10 Q14	S10-F12 PolarHBondContact O-N 3.02Å; F12-Q14 VanDerWaalsContact C-N 3.32Å; F12-Q14 PolarHBondContact O-N 3.24Å
13	Y	27.2	Very low	27.7	Very low	191 Å²	191	142 Å²	142	75%	0.749	72%	0.716	S	S	*	*			trans	-80.2	94.3	147.2	-97.2	-92.2	0	0	0	105.6	M11 S15	M11-Y13 PolarHBondContact O-N 3.27Å; Y13-S15 PolarHBondContact O-N 3.41Å
14	Q	25.5	Very low	27.8	Very low	173 Å²	173	140.9 Å²	140.9	81%	0.808	70%	0.704	S	S	*	*			trans	-63.9	84.7	149.1	-81.4	176.4	-49.2	0	0	105	F12 D16	F12-Q14 VanDerWaalsContact C-N 3.32Å; F12-Q14 PolarHBondContact O-N 3.24Å; Q14-D16 PolarHBondContact O-N 2.87Å
15	S	34.2	Very low	27.8	Very low	71 Å²	71	138 Å²	138	50%	0.497	69%	0.692	S	S	.	*			trans	-61	127.9	155.5	50.6	0	0	0	0	105	Y13 M17	Y13-S15 PolarHBondContact O-N 3.41Å; S15-M17 PolarHBondContact O-N 3.44Å
16	D	28.1	Very low	27.8	Very low	158 Å²	158	137.9 Å²	137.9	85%	0.845	69%	0.694	S	S	*	*			trans	-64.1	63	158.9	-65.3	-44.8	0	0	0	108.1	Q14 V18	Q14-D16 PolarHBondContact O-N 2.87Å; D16-V18 PolarHBondContact O-N 2.84Å
17	M	26.8	Very low	27.9	Very low	149 Å²	149	133.6 Å²	133.6	73%	0.734	68%	0.679	S	S	*	*			trans	-57.4	96.1	143.4	-69.9	-172	-177.5	0	0	103	S15 P19	S15-M17 PolarHBondContact O-N 3.44Å; M17-P19 WeakPolarHBondContact O-CD 3.46Å
18	V	26.3	Very low	28.1	Very low	120 Å²	120	124.7 Å²	124.7	73%	0.727	66%	0.655	S	S	*	*			trans	-59.6	100.9	140.5	178.3	0	0	0	0	102	D16 I20	D16-V18 PolarHBondContact O-N 2.84Å; V18-I20 VanDerWaalsContact C-N 3.28Å; V18-I20 PolarHBondContact O-N 2.94Å
19	P	25.8	Very low	28.7	Very low	92 Å²	92	118.6 Å²	118.6	60%	0.597	63%	0.627	S	S	*	*			trans	-65.7	112.5	165.7	1.2	20.6	0	0	0	100.8	M17 S21	M17-P19 WeakPolarHBondContact O-CD 3.46Å; P19-S21 PolarHBondContact O-N 3.44Å
20	I	28.5	Very low	28.9	Very low	92 Å²	92	117.2 Å²	117.2	47%	0.472	62%	0.621	S	S	.	*			trans	-63.4	83.6	143.1	-56.1	176.6	0	0	0	102.4	V18 I22 I378	V18-I20 VanDerWaalsContact C-N 3.28Å; V18-I20 PolarHBondContact O-N 2.94Å; I20-I22 HydrophobicContact CG2-CG1 4.08Å; I20-I22 PolarHBondContact O-N 3.28Å; I20-I378 HydrophobicContact CD1-CD1 3.64Å
21	S	28.1	Very low	29.6	Very low	85 Å²	85	116.4 Å²	116.4	59%	0.594	61%	0.605	S	S	*	*			trans	-63	92.1	159.7	54.6	0	0	0	0	102.4	P19 N23	P19-S21 PolarHBondContact O-N 3.44Å; S21-N23 PolarHBondContact O-N 2.85Å
22	I	30.4	Very low	30	Very low	37 Å²	37	115.8 Å²	115.8	19%	0.19	61%	0.605	C	S	.	*			trans	-55.5	95.1	155	-68.1	171.5	0	0	0	103.2	I20 F24 L29 F380	I20-I22 HydrophobicContact CG2-CG1 4.08Å; I20-I22 PolarHBondContact O-N 3.28Å; I22-F24 VanDerWaalsContact C-N 3.33Å; I22-F24 HydrophobicContact CG2-CD1 4.49Å; I22-F24 HydrophobicContact CG2-CD2 4.27Å; I22-F24 HydrophobicContact CG2-CE1 4.35Å; I22-F24 HydrophobicContact CG2-CE2 4.12Å; I22-F24 HydrophobicContact CG2-CG 4.45Å; I22-F24 HydrophobicContact CG2-CZ 4.17Å; I22-F24 WeakPolarHBondContact O-CD2 3.5Å; I22-F24 PolarHBondContact O-N 3.12Å; I22-L29 HydrophobicContact CB-CD2 4.15Å; I22-L29 HydrophobicContact CD1-CD2 3.93Å; I22-L29 HydrophobicContact CG1-CD2 3.79Å; I22-L29 HydrophobicContact CG2-CD2 3.37Å; I22-L29 HydrophobicContact CG2-CG 4.35Å; I22-F380 HydrophobicContact CD1-CE2 3.92Å; I22-F380 HydrophobicContact CD1-CZ 4.15Å
23	N	24.7	Very low	30.6	Very low	114 Å²	114	110.4 Å²	110.4	61%	0.61	58%	0.584	S	S	*	*			trans	-68.7	103.4	174	-127.1	-21.4	0	0	0	104.1	S21 N25	S21-N23 PolarHBondContact O-N 2.85Å; N23-N25 PolarHBondContact O-N 3.08Å
24	F	31.2	Very low	31	Very low	156 Å²	156	105.4 Å²	105.4	68%	0.684	58%	0.577	S	S	*	*			trans	-69.7	60.6	169.4	-70.5	-85.3	0	0	0	108.9	I22	I22-F24 VanDerWaalsContact C-N 3.33Å; I22-F24 HydrophobicContact CG2-CD1 4.49Å; I22-F24 HydrophobicContact CG2-CD2 4.27Å; I22-F24 HydrophobicContact CG2-CE1 4.35Å; I22-F24 HydrophobicContact CG2-CE2 4.12Å; I22-F24 HydrophobicContact CG2-CG 4.45Å; I22-F24 HydrophobicContact CG2-CZ 4.17Å; I22-F24 WeakPolarHBondContact O-CD2 3.5Å; I22-F24 PolarHBondContact O-N 3.12Å
25	N	26.3	Very low	31.7	Very low	107 Å²	107	100.5 Å²	100.5	57%	0.572	56%	0.556	S	S	*	*			trans	-73.2	141.6	156.8	-80.2	-16.3	0	0	0	106.4	N23 S27	N23-N25 PolarHBondContact O-N 3.08Å; N25-S27 PolarHBondContact O-N 3.23Å
26	H	32.6	Very low	32.2	Very low	202 Å²	202	103 Å²	103	94%	0.935	56%	0.564	S	S	*	*	S	Bend	trans	-57.8	9.9	179.5	-80.6	-74.2	0	0	0	114.8
27	S	34.7	Very low	33.2	Very low	96 Å²	96	97 Å²	97	67%	0.671	54%	0.539	S	S	*	.	S	Bend	trans	-126	64.1	-180	61.8	0	0	0	0	111.8	N25	N25-S27 PolarHBondContact O-N 3.23Å
28	G	29.9	Very low	34.2	Very low	31 Å²	31	90.7 Å²	90.7	32%	0.32	51%	0.508	S	S	.	.			trans	77.6	155.3	160.9	0	0	0	0	0	117.2	D30	G28-D30 PolarHBondContact O-N 3.16Å
29	L	37.1	Very low	35.4	Very low	21 Å²	21	90.2 Å²	90.2	11%	0.11	50%	0.498	C	S	.	.			trans	-76	109.8	168.2	-85.4	155.6	0	0	0	108.3	I22 L67 P105 Y106	I22-L29 HydrophobicContact CB-CD2 4.15Å; I22-L29 HydrophobicContact CD1-CD2 3.93Å; I22-L29 HydrophobicContact CG1-CD2 3.79Å; I22-L29 HydrophobicContact CG2-CD2 3.37Å; I22-L29 HydrophobicContact CG2-CG 4.35Å; L29-L67 HydrophobicContact CB-CD1 4.43Å; L29-P105 HydrophobicContact CD1-CG 3.58Å; L29-Y106 HydrophobicContact CD1-CE1 3.82Å; L29-Y106 WeakPolarHBondContact CD1-OH 3.47Å
30	D	33.2	Very low	36.7	Very low	144 Å²	144	87.7 Å²	87.7	77%	0.77	48%	0.482	S	S	*	.			trans	-94.8	101.4	174.7	-141.8	8.6	0	0	0	109.2	G28 N32	G28-D30 PolarHBondContact O-N 3.16Å; D30-N32 VanDerWaalsContact C-N 3.33Å; D30-N32 PolarHBondContact O-N 3.11Å
31	W	39.4	Very low	37.9	Very low	66 Å²	66	85.4 Å²	85.4	25%	0.25	47%	0.473	C	S	.	.			trans	-78.6	81.5	174.7	-66.4	101.2	0	0	0	109.5	I33 L67 Y113	W31-I33 HydrophobicContact CB-CG1 4.23Å; W31-I33 PolarHBondContact O-N 3.13Å; W31-L67 VanDerWaalsContact NE1-CD1 3.26Å; W31-Y113 AromaticContact CH2-CE1 3.93Å; W31-Y113 HydrophobicContact CH2-CE1 3.93Å; W31-Y113 WeakPolarHBondContact CH2-OH 3.33Å
32	N	33.5	Very low	39.3	Very low	145 Å²	145	85.7 Å²	85.7	78%	0.775	48%	0.475	S	S	*	.			trans	-77.4	82.7	160.5	-83.2	-31.7	0	0	0	108.2	D30 S34	D30-N32 VanDerWaalsContact C-N 3.33Å; D30-N32 PolarHBondContact O-N 3.11Å; N32-S34 PolarHBondContact O-N 3.25Å; N32-S34 VanDerWaalsContact O-N 3.08Å
33	I	38.3	Very low	40.5	Very low	69 Å²	69	88.6 Å²	88.6	35%	0.354	49%	0.49	S	S	.	.			trans	-70.4	99.4	171.1	-58.3	172.2	0	0	0	107	W31 L35 L116	W31-I33 HydrophobicContact CB-CG1 4.23Å; W31-I33 PolarHBondContact O-N 3.13Å; I33-L35 HydrophobicContact CG2-CD2 4.1Å; I33-L116 WeakPolarHBondContact CD1-O 3.46Å; I33-L116 HydrophobicContact CG2-CD2 4.45Å
34	S	36.2	Very low	42	Very low	85 Å²	85	83.8 Å²	83.8	59%	0.594	47%	0.465	S	S	*	.			trans	-74.7	125	165.1	80	0	0	0	0	108.9	N32 D36	N32-S34 PolarHBondContact O-N 3.25Å; N32-S34 VanDerWaalsContact O-N 3.08Å; S34-D36 WeakPolarHBondContact CB-OD2 3.35Å; S34-D36 PolarHBondContact O-N 2.91Å; S34-D36 PolarHBondContact OG-OD2 3Å
35	L	40.3	Very low	43.4	Very low	71 Å²	71	80 Å²	80	37%	0.372	45%	0.451	S	S	.	.			trans	-84.1	26.9	-174.3	-67.3	171.4	0	0	0	113.4	I33 G37 I129	I33-L35 HydrophobicContact CG2-CD2 4.1Å; L35-G37 PolarHBondContact O-N 3.29Å; L35-I129 HydrophobicContact CD2-CD1 3.42Å; L35-I129 VanDerWaalsContact CD2-CD1 3.42Å; L35-I129 HydrophobicContact CD2-CG1 3.92Å
36	D	45.8	Very low	45.4	Very low	123 Å²	123	83 Å²	83	66%	0.658	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-19.8	-166.6	-60	-36.5	0	0	0	112.9	S34 K423	S34-D36 WeakPolarHBondContact CB-OD2 3.35Å; S34-D36 PolarHBondContact O-N 2.91Å; S34-D36 PolarHBondContact OG-OD2 3Å; D36-K423 PolarHBondContact O-NZ 3.39Å
37	G	48	Very low	47.6	Very low	31 Å²	31	74.4 Å²	74.4	32%	0.32	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-43.6	-173.7	0	0	0	0	0	117.1	L35 K423	L35-G37 PolarHBondContact O-N 3.29Å; G37-K423 WeakPolarHBondContact O-CD 3.46Å
38	I	47.8	Very low	50.2	Low	18 Å²	18	73.3 Å²	73.3	9%	0.092	41%	0.407	C	S	.	.			trans	-150.1	55.6	-167.2	-42.8	172.5	0	0	0	112.2	E132 M133 F136 E401 L404	I38-E132 HydrophobicContact CG2-CB 4.26Å; I38-E132 VanDerWaalsContact O-OE2 3.14Å; I38-M133 HydrophobicContact CD1-CE 4.19Å; I38-M133 HydrophobicContact CD1-CG 3.65Å; I38-F136 HydrophobicContact CG2-CB 4.26Å; I38-F136 HydrophobicContact CG2-CD2 4.47Å; I38-E401 HydrophobicContact CD1-CG 3.73Å; I38-E401 HydrophobicContact CG1-CG 4.18Å; I38-L404 HydrophobicContact CD1-CD1 3.75Å
39	Q	51.5	Low	53.4	Low	109 Å²	109	72.7 Å²	72.7	51%	0.509	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-77.9	126.5	159.2	-70.7	-178.3	6.6	0	0	109.7
40	S	52.5	Low	56.3	Low	40 Å²	40	71.7 Å²	71.7	28%	0.28	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-68.4	134.5	172.3	57.4	0	0	0	0	110.6	E132	S40-E132 WeakPolarHBondContact CB-OE1 3.2Å; S40-E132 PolarHBondContact N-OE1 2.83Å; S40-E132 PolarHBondContact OG-OE1 2.93Å
41	T	55.4	Low	59.3	Low	43 Å²	43	69.1 Å²	69.1	26%	0.264	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-93.4	164.2	170.2	64.6	0	0	0	0	110.4	D43 D44 L45	T41-D43 PolarHBondContact O-N 3.3Å; T41-D43 VanDerWaalsContact O-N 3.15Å; T41-D44 PolarHBondContact N-OD2 2.71Å; T41-D44 WeakPolarHBondContact O-CB 3.24Å; T41-D44 PolarHBondContact O-N 3.45Å; T41-D44 PolarHBondContact OG1-N 3.08Å; T41-D44 PolarHBondContact OG1-OD2 3.21Å; T41-L45 PolarHBondContact O-N 3.48Å
42	S	56.5	Low	62.1	Low	91 Å²	91	70.7 Å²	70.7	64%	0.636	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-25.2	174.6	51.4	0	0	0	0	113.2
43	D	55.1	Low	65.2	Low	98 Å²	98	63.8 Å²	63.8	52%	0.524	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-34.7	173.5	-69.2	-33	0	0	0	111.9	T41 L45 K46	T41-D43 PolarHBondContact O-N 3.3Å; T41-D43 VanDerWaalsContact O-N 3.15Å; D43-L45 PolarHBondContact O-N 2.85Å; D43-K46 WeakPolarHBondContact O-CB 3.38Å; D43-K46 PolarHBondContact O-N 3.38Å; D43-K46 VanDerWaalsContact O-N 3.08Å
44	D	56.9	Low	68.1	Low	13 Å²	13	60.5 Å²	60.5	7%	0.07	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-68.7	-20.7	177.2	-61.3	-52.7	0	0	0	112.2	T41 K46 L47 R135 R422	T41-D44 PolarHBondContact N-OD2 2.71Å; T41-D44 WeakPolarHBondContact O-CB 3.24Å; T41-D44 PolarHBondContact O-N 3.45Å; T41-D44 PolarHBondContact OG1-N 3.08Å; T41-D44 PolarHBondContact OG1-OD2 3.21Å; D44-K46 PolarHBondContact O-N 3.12Å; D44-L47 HydrophobicContact CB-CD1 3.77Å; D44-L47 WeakPolarHBondContact O-CB 3.13Å; D44-L47 WeakPolarHBondContact O-CD1 3.31Å; D44-L47 WeakPolarHBondContact O-CG 3.37Å; D44-L47 PolarHBondContact O-N 2.86Å; D44-L47 VanDerWaalsContact O-N 3.15Å; D44-R135 PolarHBondContact O-NE 3.15Å; D44-R135 PolarHBondContact O-NH2 3.15Å; D44-R135 VanDerWaalsContact O-NH2 3.12Å; D44-R422 PolarHBondContact OD1-N 3.17Å
45	L	60	Low	71.1	Confident	77 Å²	77	56.5 Å²	56.5	40%	0.403	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-66.5	-11.8	171.6	-65.8	175	0	0	0	113.2	T41 D43 R135	T41-L45 PolarHBondContact O-N 3.48Å; D43-L45 PolarHBondContact O-N 2.85Å; L45-R135 PolarHBondContact O-NH2 3.27Å
46	K	67.8	Low	73.9	Confident	170 Å²	170	53.2 Å²	53.2	74%	0.739	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-95.5	0.1	173.6	-61.6	177.3	-176.3	166	0	113.9	D43 D44	D43-K46 WeakPolarHBondContact O-CB 3.38Å; D43-K46 PolarHBondContact O-N 3.38Å; D43-K46 VanDerWaalsContact O-N 3.08Å; D44-K46 PolarHBondContact O-N 3.12Å
47	L	78.7	Confident	76.4	Confident	21 Å²	21	47.3 Å²	47.3	11%	0.11	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-67.2	140.7	-179.3	-71.5	164.9	0	0	0	111.6	D44 L49 R135 P421	D44-L47 HydrophobicContact CB-CD1 3.77Å; D44-L47 WeakPolarHBondContact O-CB 3.13Å; D44-L47 WeakPolarHBondContact O-CD1 3.31Å; D44-L47 WeakPolarHBondContact O-CG 3.37Å; D44-L47 PolarHBondContact O-N 2.86Å; D44-L47 VanDerWaalsContact O-N 3.15Å; L47-L49 PolarHBondContact O-N 2.96Å; L47-R135 PolarHBondContact O-NH2 2.76Å; L47-P421 HydrophobicContact CD1-CB 3.73Å; L47-P421 HydrophobicContact CD1-CG 3.87Å
48	N	89.9	Confident	78.8	Confident	73 Å²	73	46 Å²	46	39%	0.39	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-68.6	129.4	175.3	-63.5	-40.5	0	0	0	110.7	R408 F417	N48-R408 PolarHBondContact O-NH1 2.88Å; N48-F417 HydrophobicContact CB-CD1 3.82Å; N48-F417 HydrophobicContact CB-CD2 3.65Å; N48-F417 HydrophobicContact CB-CE1 3.66Å; N48-F417 HydrophobicContact CB-CE2 3.5Å; N48-F417 VanDerWaalsContact CB-CE2 3.5Å; N48-F417 HydrophobicContact CB-CG 3.82Å; N48-F417 HydrophobicContact CB-CZ 3.51Å
49	L	96.6	Very high	81.1	Confident	18 Å²	18	45.3 Å²	45.3	9%	0.094	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-102	145.8	168	-64.6	-178.4	0	0	0	109.3	L47 R135 D174 I175	L47-L49 PolarHBondContact O-N 2.96Å; L49-R135 HydrophobicContact CD2-CB 4.39Å; L49-R135 HydrophobicContact CD2-CG 4.05Å; L49-D174 HydrophobicContact CD1-CB 4.26Å; L49-D174 WeakPolarHBondContact CD1-O 3.27Å; L49-I175 HydrophobicContact CD1-CG1 4.02Å
50	S	97.9	Very high	83.3	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.007	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	110.5	167.2	177	0	0	0	0	110.1	R52 V53 G138 G140 E415	S50-R52 PolarHBondContact O-N 2.76Å; S50-R52 PolarHBondContact OG-N 3.21Å; S50-R52 VanDerWaalsContact OG-N 3.15Å; S50-V53 PolarHBondContact O-N 2.84Å; S50-V53 VanDerWaalsContact O-N 3.15Å; S50-V53 WeakPolarHBondContact OG-CG2 3.45Å; S50-V53 PolarHBondContact OG-N 3.05Å; S50-G138 PolarHBondContact N-O 3.2Å; S50-G140 VanDerWaalsContact O-CA 3.24Å; S50-G140 WeakPolarHBondContact O-CA 3.5Å; S50-G140 PolarHBondContact O-N 3.32Å; S50-E415 WeakPolarHBondContact CB-OE1 3.45Å; S50-E415 PolarHBondContact OG-OE1 2.78Å
51	Y	97.5	Very high	85.3	Confident	89 Å²	89	39.9 Å²	39.9	35%	0.349	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	-3.2	168.3	-62	-65.7	0	0	0	113.2	H54 G140 V141 D174 K176 Y211	Y51-H54 PolarHBondContact O-CD2 2.67Å; Y51-H54 PolarHBondContact O-NE2 2.99Å; Y51-G140 VanDerWaalsContact CD1-O 3.31Å; Y51-G140 WeakPolarHBondContact CD1-O 3.34Å; Y51-G140 WeakPolarHBondContact CE1-O 3.37Å; Y51-V141 HydrophobicContact CD1-CG2 4.12Å; Y51-V141 WeakPolarHBondContact O-CG2 3.43Å; Y51-D174 WeakPolarHBondContact CE1-O 3.42Å; Y51-D174 PolarHBondContact OH-O 3.27Å; Y51-K176 HydrophobicContact CD1-CG 3.91Å; Y51-K176 HydrophobicContact CE1-CG 3.66Å; Y51-Y211 PolarHBondContact O-OH 2.89Å
52	R	98	Very high	87.1	Confident	99 Å²	99	38.9 Å²	38.9	37%	0.374	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-3.3	169.1	-59.3	-169.5	-64.3	168.2	-2.5	112.6	S50 T358 G359 I360 F414 E415	S50-R52 PolarHBondContact O-N 2.76Å; S50-R52 PolarHBondContact OG-N 3.21Å; S50-R52 VanDerWaalsContact OG-N 3.15Å; R52-T358 WeakPolarHBondContact CD-O 3.19Å; R52-G359 CarbonylContact O-C 3.23Å; R52-G359 WeakPolarHBondContact O-CA 3.1Å; R52-I360 PolarHBondContact O-N 3.47Å; R52-F414 HydrophobicContact CB-CE1 3.79Å; R52-F414 HydrophobicContact CB-CZ 4.28Å; R52-E415 IonicContact CZ-OE1 3.48Å; R52-E415 IonicContact CZ-OE2 3.31Å; R52-E415 IonicContact NE-OE1 3.57Å; R52-E415 PolarHBondContact NE-OE1 2.96Å; R52-E415 IonicContact NE-OE2 3.95Å; R52-E415 PolarHBondContact NE-OE2 2.88Å; R52-E415 IonicContact NH2-OE1 2.73Å; R52-E415 PolarHBondContact NH2-OE1 3.47Å; R52-E415 IonicContact NH2-OE2 3.8Å; R52-E415 PolarHBondContact NH2-OE2 2.98Å
53	V	98.8	Very high	88.8	Confident	0 Å²	0	35 Å²	35	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	121.3	174.8	177.4	0	0	0	0	109.6	S50 I139 V141 F349 I360 I362 V411 F414	S50-V53 PolarHBondContact O-N 2.84Å; S50-V53 VanDerWaalsContact O-N 3.15Å; S50-V53 WeakPolarHBondContact OG-CG2 3.45Å; S50-V53 PolarHBondContact OG-N 3.05Å; V53-I139 HydrophobicContact CG1-CG1 4.08Å; V53-V141 PolarHBondContact O-N 2.91Å; V53-F349 HydrophobicContact CG2-CZ 4.32Å; V53-I360 WeakPolarHBondContact CA-O 3.48Å; V53-I362 HydrophobicContact CG1-CD1 3.48Å; V53-I362 VanDerWaalsContact CG1-CD1 3.48Å; V53-I362 HydrophobicContact CG1-CG1 4.1Å; V53-V411 HydrophobicContact CB-CG2 4.41Å; V53-V411 HydrophobicContact CG1-CG2 4.1Å; V53-V411 HydrophobicContact CG2-CG2 4.16Å; V53-F414 HydrophobicContact CG2-CD1 3.65Å; V53-F414 HydrophobicContact CG2-CE1 3.96Å
54	H	98.9	Very high	90	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	110.4	-167.8	-72	-148.4	0	0	0	109.4	Y51 V141 V143 Y211 Y228 Y316 I360 G361 I362	Y51-H54 PolarHBondContact O-CD2 2.67Å; Y51-H54 PolarHBondContact O-NE2 2.99Å; H54-V141 CarbonylContact C-O 3.57Å; H54-V141 VanDerWaalsContact CA-O 3.31Å; H54-V141 WeakPolarHBondContact CA-O 3.32Å; H54-V141 HydrophobicContact CB-CB 4.5Å; H54-V143 HydrophobicContact CB-CG2 3.81Å; H54-Y211 AromaticContact CE1-CE1 3.46Å; H54-Y211 VanDerWaalsContact CE1-CE1 3.46Å; H54-Y211 WeakPolarHBondContact CE1-CE1 3.16Å; H54-Y211 AromaticContact CE1-CZ 3.99Å; H54-Y211 AromaticContact NE2-CE1 3.8Å; H54-Y211 AromaticContact NE2-CZ 3.85Å; H54-Y228 PolarHBondContact CE1-OH 3.37Å; H54-Y228 AromaticContact ND1-CE2 3.88Å; H54-Y228 AromaticContact ND1-CZ 3.73Å; H54-Y228 PolarHBondContact ND1-OH 3.24Å; H54-Y316 AromaticContact CE1-CE1 3.78Å; H54-I360 PolarHBondContact N-O 3.48Å; H54-G361 CarbonylContact O-C 3.6Å; H54-G361 VanDerWaalsContact O-CA 3.31Å; H54-G361 WeakPolarHBondContact O-CA 3.43Å; H54-I362 PolarHBondContact O-N 3.25Å
55	G	98.9	Very high	90.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	121.6	177.4	0	0	0	0	0	111.7	Y57 V141 L142 V143	G55-Y57 PolarHBondContact O-N 3.24Å; G55-V141 PolarHBondContact N-O 2.88Å; G55-L142 CarbonylContact O-C 3.53Å; G55-L142 VanDerWaalsContact O-CA 3.28Å; G55-L142 WeakPolarHBondContact O-CA 3.2Å; G55-V143 PolarHBondContact O-N 2.91Å
56	F	98.9	Very high	90.3	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.009	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	129.7	171.6	-72.9	-92.8	0	0	0	109.8	Y58 V143 H180 Y228 Y284 Y286 S318 I362 V363 F365	F56-Y58 HydrophobicContact CB-CE2 3.97Å; F56-V143 WeakPolarHBondContact CA-O 3.5Å; F56-V143 HydrophobicContact CD1-CB 4.01Å; F56-V143 HydrophobicContact CD1-CG1 4.38Å; F56-V143 HydrophobicContact CE1-CB 4.12Å; F56-V143 HydrophobicContact CE1-CG1 4.13Å; F56-V143 HydrophobicContact CE1-CG2 4.48Å; F56-V143 HydrophobicContact CG-CB 4.47Å; F56-H180 AromaticContact CD1-CE1 3.88Å; F56-H180 AromaticContact CD1-ND1 3.59Å; F56-H180 AromaticContact CE1-CE1 3.57Å; F56-H180 AromaticContact CE1-ND1 3.61Å; F56-Y228 HydrophobicContact CZ-CD1 4.47Å; F56-Y284 HydrophobicContact CE1-CD2 4.4Å; F56-Y284 HydrophobicContact CE1-CE2 4.03Å; F56-Y284 AromaticContact CZ-CD2 3.7Å; F56-Y284 HydrophobicContact CZ-CD2 3.7Å; F56-Y284 AromaticContact CZ-CE2 3.78Å; F56-Y284 HydrophobicContact CZ-CE2 3.78Å; F56-Y286 HydrophobicContact CD1-CD2 4.22Å; F56-Y286 AromaticContact CD1-CE2 3.93Å; F56-Y286 HydrophobicContact CD1-CE2 3.93Å; F56-Y286 AromaticContact CE1-CD2 3.96Å; F56-Y286 HydrophobicContact CE1-CD2 3.96Å; F56-Y286 HydrophobicContact CE1-CE2 4.11Å; F56-Y286 HydrophobicContact CG-CE2 4.29Å; F56-Y286 HydrophobicContact CZ-CD2 4.13Å; F56-S318 WeakPolarHBondContact CE2-OG 3.47Å; F56-I362 WeakPolarHBondContact CD2-O 3.49Å; F56-I362 PolarHBondContact N-O 3.06Å; F56-V363 HydrophobicContact CB-CG2 4.49Å; F56-V363 HydrophobicContact CD2-CB 4.48Å; F56-V363 HydrophobicContact CD2-CG2 3.39Å; F56-V363 HydrophobicContact CE2-CG2 3.73Å; F56-V363 HydrophobicContact CG-CG2 3.99Å; F56-F365 PolarHBondContact O-N 2.97Å
57	Y	98.9	Very high	89.4	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	133.1	-170.3	-176.2	-84.9	0	0	0	111.5	G55 A59 H130 I134 L142 V143 V144 S145 L166 F365	G55-Y57 PolarHBondContact O-N 3.24Å; Y57-A59 HydrophobicContact CD1-CB 4.35Å; Y57-A59 HydrophobicContact CE1-CB 3.89Å; Y57-H130 HydrophobicContact CE2-CB 4.18Å; Y57-H130 AromaticContact CE2-ND1 3.55Å; Y57-H130 AromaticContact CZ-ND1 3.65Å; Y57-H130 PolarHBondContact OH-ND1 2.79Å; Y57-I134 HydrophobicContact CD2-CD1 4.29Å; Y57-I134 HydrophobicContact CE2-CD1 4.37Å; Y57-L142 HydrophobicContact CD2-CD1 4.01Å; Y57-L142 HydrophobicContact CD2-CD2 4.47Å; Y57-L142 HydrophobicContact CG-CD1 4.16Å; Y57-V143 PolarHBondContact N-O 3.19Å; Y57-V144 HydrophobicContact CD1-CG1 4.43Å; Y57-V144 HydrophobicContact CD1-CG2 4.05Å; Y57-V144 HydrophobicContact CG-CG2 4.46Å; Y57-V144 WeakPolarHBondContact O-CA 3.45Å; Y57-S145 PolarHBondContact O-N 3.02Å; Y57-L166 HydrophobicContact CE1-CD1 4.35Å; Y57-L166 HydrophobicContact CE1-CD2 3.79Å; Y57-F365 HydrophobicContact CD2-CB 4.33Å; Y57-F365 AromaticContact CD2-CD1 3.46Å; Y57-F365 HydrophobicContact CD2-CD1 3.46Å; Y57-F365 VanDerWaalsContact CD2-CD1 3.46Å; Y57-F365 HydrophobicContact CD2-CE1 4.17Å; Y57-F365 HydrophobicContact CD2-CG 4.17Å; Y57-F365 AromaticContact CE2-CD1 3.59Å; Y57-F365 HydrophobicContact CE2-CD1 3.59Å; Y57-F365 AromaticContact CE2-CE1 3.82Å; Y57-F365 HydrophobicContact CE2-CE1 3.82Å
58	Y	98.3	Very high	87.8	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.008	19%	0.185	C	C	.	.			trans	-119.6	109.4	-173.4	-59.1	-92.4	0	0	0	110.2	F56 W60 Y286 N366 E367	F56-Y58 HydrophobicContact CB-CE2 3.97Å; Y58-W60 VanDerWaalsContact C-N 3.3Å; Y58-W60 HydrophobicContact CD1-CD2 4.15Å; Y58-W60 AromaticContact CD1-CE2 3.6Å; Y58-W60 HydrophobicContact CD1-CE3 4.33Å; Y58-W60 AromaticContact CD1-CH2 3.53Å; Y58-W60 HydrophobicContact CD1-CH2 3.53Å; Y58-W60 AromaticContact CD1-CZ2 3.32Å; Y58-W60 HydrophobicContact CD1-CZ2 3.32Å; Y58-W60 HydrophobicContact CD1-CZ3 4.03Å; Y58-W60 AromaticContact CE1-CH2 3.85Å; Y58-W60 HydrophobicContact CE1-CH2 3.85Å; Y58-W60 AromaticContact CE1-CZ2 3.93Å; Y58-W60 HydrophobicContact CE1-CZ2 3.93Å; Y58-W60 HydrophobicContact CG-CZ2 4.08Å; Y58-W60 PolarHBondContact O-N 3.09Å; Y58-Y286 WeakPolarHBondContact OH-CE2 3.38Å; Y58-Y286 PolarHBondContact OH-OH 3Å; Y58-N366 PolarHBondContact N-OD1 3.41Å; Y58-N366 PolarHBondContact O-ND2 3.13Å; Y58-E367 VanDerWaalsContact CD1-OE2 3.3Å; Y58-E367 WeakPolarHBondContact CD1-OE2 3.36Å; Y58-E367 HydrophobicContact CD2-CB 3.63Å; Y58-E367 HydrophobicContact CD2-CG 4.4Å; Y58-E367 HydrophobicContact CE2-CB 3.55Å; Y58-E367 HydrophobicContact CE2-CG 4.26Å; Y58-E367 HydrophobicContact CG-CB 4.34Å
59	A	96.9	Very high	85.5	Confident	5 Å²	5	38.7 Å²	38.7	4%	0.041	19%	0.187	C	C	.	.			trans	-94.1	25.8	-176.2	0	0	0	0	0	113	Y57 S121 L166	Y57-A59 HydrophobicContact CD1-CB 4.35Å; Y57-A59 HydrophobicContact CE1-CB 3.89Å; A59-S121 VanDerWaalsContact C-CB 3.44Å; A59-S121 VanDerWaalsContact O-CB 3.3Å; A59-S121 WeakPolarHBondContact O-CB 3.36Å; A59-L166 HydrophobicContact CB-CD1 3.88Å
60	W	96	Very high	83.2	Confident	33 Å²	33	45 Å²	45	13%	0.125	22%	0.216	C	C	.	.			trans	-106.7	-9.6	-166.2	57.6	23	0	0	0	115.6	Y58 H80 S145 Y147 V159 E367	Y58-W60 VanDerWaalsContact C-N 3.3Å; Y58-W60 HydrophobicContact CD1-CD2 4.15Å; Y58-W60 AromaticContact CD1-CE2 3.6Å; Y58-W60 HydrophobicContact CD1-CE3 4.33Å; Y58-W60 AromaticContact CD1-CH2 3.53Å; Y58-W60 HydrophobicContact CD1-CH2 3.53Å; Y58-W60 AromaticContact CD1-CZ2 3.32Å; Y58-W60 HydrophobicContact CD1-CZ2 3.32Å; Y58-W60 HydrophobicContact CD1-CZ3 4.03Å; Y58-W60 AromaticContact CE1-CH2 3.85Å; Y58-W60 HydrophobicContact CE1-CH2 3.85Å; Y58-W60 AromaticContact CE1-CZ2 3.93Å; Y58-W60 HydrophobicContact CE1-CZ2 3.93Å; Y58-W60 HydrophobicContact CG-CZ2 4.08Å; Y58-W60 PolarHBondContact O-N 3.09Å; W60-H80 AromaticContact CD1-CD2 3.89Å; W60-H80 AromaticContact CD1-CE1 3.99Å; W60-H80 AromaticContact CD1-CG 3.65Å; W60-H80 AromaticContact CD1-ND1 3.68Å; W60-H80 AromaticContact CD2-CE1 3.37Å; W60-H80 AromaticContact CD2-ND1 3.76Å; W60-H80 AromaticContact CD2-NE2 3.71Å; W60-H80 AromaticContact CE2-CE1 3.64Å; W60-H80 AromaticContact CE2-ND1 3.62Å; W60-H80 AromaticContact CE3-CE1 3.72Å; W60-H80 AromaticContact CG-CD2 3.64Å; W60-H80 AromaticContact CG-CE1 3.6Å; W60-H80 AromaticContact CG-CG 3.83Å; W60-H80 AromaticContact CG-ND1 3.77Å; W60-H80 AromaticContact CG-NE2 3.52Å; W60-H80 AromaticContact NE1-ND1 3.61Å; W60-H80 PolarHBondContact O-CD2 2.92Å; W60-S145 WeakPolarHBondContact CZ3-OG 3.44Å; W60-Y147 HydrophobicContact CE3-CE2 4.36Å; W60-Y147 HydrophobicContact CZ3-CE2 4.23Å; W60-V159 HydrophobicContact CB-CG1 4.03Å; W60-E367 WeakPolarHBondContact CZ2-OE2 3.27Å; W60-E367 PolarHBondContact NE1-OE2 2.94Å
61	Y	96	Very high	80.8	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.008	25%	0.247	C	C	.	.			trans	-71.2	135.5	176.6	-59.8	-80	0	0	0	110.4	H80 W81 Y119 S121 N366 E367 W368 H369	Y61-H80 HydrophobicContact CD1-CB 3.52Å; Y61-H80 HydrophobicContact CE1-CB 3.73Å; Y61-H80 HydrophobicContact CG-CB 4.32Å; Y61-W81 AromaticContact CD1-CD2 3.83Å; Y61-W81 HydrophobicContact CD1-CD2 3.83Å; Y61-W81 AromaticContact CD1-CE2 3.77Å; Y61-W81 AromaticContact CD1-CE3 3.99Å; Y61-W81 HydrophobicContact CD1-CE3 3.99Å; Y61-W81 HydrophobicContact CD1-CG 4.42Å; Y61-W81 HydrophobicContact CD1-CH2 4Å; Y61-W81 AromaticContact CD1-CZ2 3.87Å; Y61-W81 HydrophobicContact CD1-CZ2 3.87Å; Y61-W81 HydrophobicContact CD1-CZ3 4.08Å; Y61-W81 HydrophobicContact CE1-CE3 4.36Å; Y61-W81 HydrophobicContact CE1-CH2 4.42Å; Y61-W81 HydrophobicContact CE1-CZ3 4.26Å; Y61-W81 HydrophobicContact CG-CD2 4.49Å; Y61-W81 AromaticContact CG-CE2 3.96Å; Y61-W81 HydrophobicContact CG-CH2 4.22Å; Y61-W81 AromaticContact CG-CZ2 3.81Å; Y61-W81 HydrophobicContact CG-CZ2 3.81Å; Y61-Y119 HydrophobicContact CD2-CE2 4.38Å; Y61-S121 PolarHBondContact N-OG 2.88Å; Y61-S121 VanDerWaalsContact N-OG 3.1Å; Y61-S121 VanDerWaalsContact O-CB 3.27Å; Y61-S121 WeakPolarHBondContact O-CB 3.24Å; Y61-S121 PolarHBondContact O-N 3.42Å; Y61-S121 PolarHBondContact O-OG 3.25Å; Y61-N366 VanDerWaalsContact CE2-O 3.27Å; Y61-N366 WeakPolarHBondContact CE2-O 3.31Å; Y61-N366 PolarHBondContact OH-O 3.4Å; Y61-E367 VanDerWaalsContact OH-CD 3.28Å; Y61-E367 PolarHBondContact OH-OE1 2.78Å; Y61-E367 PolarHBondContact OH-OE2 3.35Å; Y61-W368 HydrophobicContact CE1-CB 4.1Å; Y61-W368 AromaticContact CE2-CD1 3.72Å; Y61-W368 AromaticContact CZ-CD1 3.71Å; Y61-W368 WeakPolarHBondContact OH-CB 3.4Å; Y61-W368 PolarHBondContact OH-N 3.4Å; Y61-H369 AromaticContact CE1-CD2 3.97Å; Y61-H369 AromaticContact CE1-NE2 3.71Å
62	D	93.4	Very high	78.5	Confident	22 Å²	22	47.4 Å²	47.4	12%	0.118	24%	0.236	C	C	.	.			trans	-133.7	137.9	176.9	-161	20.8	0	0	0	110.3	N77 W78 T79 W81 S120 K157	D62-N77 CarbonylContact C-O 3.52Å; D62-N77 VanDerWaalsContact O-O 3.09Å; D62-W78 CarbonylContact O-C 3.52Å; D62-W78 VanDerWaalsContact O-C 3.23Å; D62-W78 WeakPolarHBondContact O-CA 3.18Å; D62-T79 PolarHBondContact N-O 2.91Å; D62-T79 PolarHBondContact O-N 2.85Å; D62-W81 VanDerWaalsContact O-CD1 3.23Å; D62-S120 WeakPolarHBondContact OD1-CB 3.39Å; D62-S120 PolarHBondContact OD1-OG 3.25Å; D62-K157 IonicContact OD2-NZ 3.98Å; D62-K157 PolarHBondContact OD2-NZ 3.05Å
63	A	90.4	Very high	76.3	Confident	8 Å²	8	45.1 Å²	45.1	7%	0.066	23%	0.231	C	C	.	.			trans	-136.9	154.4	177.2	0	0	0	0	0	109.8	Q65 N77 W78 P118	A63-Q65 PolarHBondContact O-N 2.92Å; A63-N77 CarbonylContact C-O 3.29Å; A63-N77 WeakPolarHBondContact CA-O 3.14Å; A63-N77 PolarHBondContact N-O 3.01Å; A63-W78 HydrophobicContact CB-CE3 3.9Å; A63-W78 HydrophobicContact CB-CZ3 3.64Å; A63-P118 WeakPolarHBondContact CB-O 3.46Å
64	P	82.4	Confident	74.1	Confident	22 Å²	22	51.2 Å²	51.2	14%	0.143	26%	0.263	C	S	.	.			trans	-65.4	126	177.1	-17.6	32.6	0	0	0	110.8	K66 S75 N77 W78	P64-K66 PolarHBondContact O-N 2.98Å; P64-S75 WeakPolarHBondContact CG-OG 3.39Å; P64-N77 WeakPolarHBondContact CD-O 3.49Å; P64-N77 HydrophobicContact CG-CB 4.4Å; P64-W78 HydrophobicContact CG-CD2 4.28Å; P64-W78 HydrophobicContact CG-CH2 4.42Å; P64-W78 HydrophobicContact CG-CZ2 3.9Å
65	Q	65.1	Low	72	Confident	169 Å²	169	52.7 Å²	52.7	79%	0.79	27%	0.274	S	S	*	.	S	Bend	trans	-59.3	-19.5	-176.1	-80.1	-179.8	-5.2	0	0	115.4	A63	A63-Q65 PolarHBondContact O-N 2.92Å
66	K	56.1	Low	70.3	Confident	159 Å²	159	59.8 Å²	59.8	69%	0.691	31%	0.312	S	S	*	.			trans	-137.7	118.2	174.4	-72.1	-172.9	179.1	-177.7	0	109.9	P64 S68 S72	P64-K66 PolarHBondContact O-N 2.98Å; K66-S68 PolarHBondContact O-N 3.45Å; K66-S72 WeakPolarHBondContact O-CB 3.32Å; K66-S72 PolarHBondContact O-OG 3.48Å
67	L	50.6	Low	69.4	Low	21 Å²	21	63.1 Å²	63.1	11%	0.11	33%	0.33	C	S	.	.			trans	-86.9	37.2	167.2	-66.7	170.2	0	0	0	111.6	L29 W31 N69 S72 L73 W78	L29-L67 HydrophobicContact CB-CD1 4.43Å; W31-L67 VanDerWaalsContact NE1-CD1 3.26Å; L67-N69 PolarHBondContact O-N 3.14Å; L67-S72 VanDerWaalsContact CA-OG 3.3Å; L67-S72 WeakPolarHBondContact CA-OG 3.36Å; L67-L73 HydrophobicContact CD2-CD2 3.75Å; L67-L73 HydrophobicContact CD2-CG 4.42Å; L67-W78 HydrophobicContact CD1-CH2 4.3Å; L67-W78 HydrophobicContact CD2-CH2 3.91Å; L67-W78 HydrophobicContact CD2-CZ2 3.73Å
68	S	44.2	Very low	69.1	Low	81 Å²	81	63.7 Å²	63.7	57%	0.566	33%	0.332	S	S	*	.			trans	-76.7	-7.2	-170	60	0	0	0	0	114.1	K66	K66-S68 PolarHBondContact O-N 3.45Å
69	N	42.6	Very low	68.8	Low	78 Å²	78	64 Å²	64	42%	0.417	33%	0.334	S	S	.	.	S	Bend	trans	-158.2	158.2	178.5	51.9	23.8	0	0	0	111.9	L67 N71 S72	L67-N69 PolarHBondContact O-N 3.14Å; N69-N71 PolarHBondContact O-N 3.35Å; N69-S72 WeakPolarHBondContact O-CB 3.32Å; N69-S72 PolarHBondContact O-N 3.1Å; N69-S72 PolarHBondContact O-OG 3.43Å; N69-S72 PolarHBondContact OD1-N 3.27Å; N69-S72 VanDerWaalsContact OD1-N 3.16Å
70	Q	48.3	Very low	68.8	Low	151 Å²	151	63.8 Å²	63.8	71%	0.706	33%	0.332	S	S	*	.	H	α-helix	trans	-54.1	-26.4	177	-75.7	-172.9	-21.7	0	0	113.3	S72 L73	Q70-S72 VanDerWaalsContact C-N 3.34Å; Q70-S72 PolarHBondContact O-N 3.2Å; Q70-L73 WeakPolarHBondContact O-CB 3.39Å; Q70-L73 PolarHBondContact O-N 3.32Å
71	N	46.3	Very low	68.7	Low	125 Å²	125	62.3 Å²	62.3	67%	0.668	33%	0.327	S	S	*	.	H	α-helix	trans	-67.3	-30.2	177	-70.1	-17.9	0	0	0	113.4	N69 L73 N74	N69-N71 PolarHBondContact O-N 3.35Å; N71-L73 VanDerWaalsContact C-N 3.34Å; N71-N74 PolarHBondContact O-N 2.63Å
72	S	49.5	Very low	68.6	Low	15 Å²	15	65.2 Å²	65.2	11%	0.105	34%	0.342	C	S	.	.	H	α-helix	trans	-68.4	-32	174.3	67.9	0	0	0	0	112.9	K66 L67 N69 Q70 N74 S75	K66-S72 WeakPolarHBondContact O-CB 3.32Å; K66-S72 PolarHBondContact O-OG 3.48Å; L67-S72 VanDerWaalsContact CA-OG 3.3Å; L67-S72 WeakPolarHBondContact CA-OG 3.36Å; N69-S72 WeakPolarHBondContact O-CB 3.32Å; N69-S72 PolarHBondContact O-N 3.1Å; N69-S72 PolarHBondContact O-OG 3.43Å; N69-S72 PolarHBondContact OD1-N 3.27Å; N69-S72 VanDerWaalsContact OD1-N 3.16Å; Q70-S72 VanDerWaalsContact C-N 3.34Å; Q70-S72 PolarHBondContact O-N 3.2Å; S72-N74 PolarHBondContact O-N 3.29Å; S72-S75 WeakPolarHBondContact O-CB 3.5Å; S72-S75 PolarHBondContact O-N 2.85Å; S72-S75 VanDerWaalsContact O-N 3.09Å; S72-S75 PolarHBondContact O-OG 2.86Å
73	L	52.9	Low	68.7	Low	52 Å²	52	64.9 Å²	64.9	27%	0.272	34%	0.34	S	S	.	.	H	α-helix	trans	-63.9	-32.7	174.9	-66.3	168.9	0	0	0	111.4	L67 Q70 N71 S75 W78 P105	L67-L73 HydrophobicContact CD2-CD2 3.75Å; L67-L73 HydrophobicContact CD2-CG 4.42Å; Q70-L73 WeakPolarHBondContact O-CB 3.39Å; Q70-L73 PolarHBondContact O-N 3.32Å; N71-L73 VanDerWaalsContact C-N 3.34Å; L73-S75 VanDerWaalsContact C-N 3.28Å; L73-S75 PolarHBondContact O-N 3.23Å; L73-W78 HydrophobicContact CD2-CZ2 4.42Å; L73-W78 PolarHBondContact O-NE1 3.33Å; L73-P105 VanDerWaalsContact CD2-CD 3.49Å; L73-P105 HydrophobicContact CD2-CG 4.07Å
74	N	50.8	Low	68.8	Low	127 Å²	127	70.8 Å²	70.8	68%	0.679	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-1.1	176.3	-68.2	-17.7	0	0	0	113.8	N71 S72	N71-N74 PolarHBondContact O-N 2.63Å; S72-N74 PolarHBondContact O-N 3.29Å
75	S	56.3	Low	69.3	Low	33 Å²	33	71.7 Å²	71.7	23%	0.231	36%	0.361	C	S	.	.	S	Bend	trans	-72.7	134.5	176.3	72.9	0	0	0	0	110.4	P64 S72 L73 N77 W78	P64-S75 WeakPolarHBondContact CG-OG 3.39Å; S72-S75 WeakPolarHBondContact O-CB 3.5Å; S72-S75 PolarHBondContact O-N 2.85Å; S72-S75 VanDerWaalsContact O-N 3.09Å; S72-S75 PolarHBondContact O-OG 2.86Å; L73-S75 VanDerWaalsContact C-N 3.28Å; L73-S75 PolarHBondContact O-N 3.23Å; S75-N77 PolarHBondContact O-N 3.08Å; S75-W78 VanDerWaalsContact O-CD1 3.24Å
76	N	61.8	Low	70.7	Confident	148 Å²	148	65.3 Å²	65.3	79%	0.791	33%	0.332	S	S	*	.	S	Bend	trans	-69.4	17.6	177.9	-73	-16.2	0	0	0	113.7	W78	N76-W78 VanDerWaalsContact C-N 3.32Å; N76-W78 PolarHBondContact O-N 3.34Å
77	N	81.4	Confident	72.4	Confident	73 Å²	73	65.1 Å²	65.1	39%	0.39	33%	0.331	S	S	.	.			trans	-96.8	49	-175.6	-73.3	-20.1	0	0	0	111.6	D62 A63 P64 S75 K157	D62-N77 CarbonylContact C-O 3.52Å; D62-N77 VanDerWaalsContact O-O 3.09Å; A63-N77 CarbonylContact C-O 3.29Å; A63-N77 WeakPolarHBondContact CA-O 3.14Å; A63-N77 PolarHBondContact N-O 3.01Å; P64-N77 WeakPolarHBondContact CD-O 3.49Å; P64-N77 HydrophobicContact CG-CB 4.4Å; S75-N77 PolarHBondContact O-N 3.08Å; N77-K157 PolarHBondContact OD1-NZ 3.18Å
78	W	91.4	Very high	74.4	Confident	11 Å²	11	65.4 Å²	65.4	4%	0.042	33%	0.332	C	S	.	.			trans	-113.2	31.4	175	-68.8	110.2	0	0	0	111.9	D62 A63 P64 L67 L73 S75 N76 H80 W81 N82 P104 P105 P118	D62-W78 CarbonylContact O-C 3.52Å; D62-W78 VanDerWaalsContact O-C 3.23Å; D62-W78 WeakPolarHBondContact O-CA 3.18Å; A63-W78 HydrophobicContact CB-CE3 3.9Å; A63-W78 HydrophobicContact CB-CZ3 3.64Å; P64-W78 HydrophobicContact CG-CD2 4.28Å; P64-W78 HydrophobicContact CG-CH2 4.42Å; P64-W78 HydrophobicContact CG-CZ2 3.9Å; L67-W78 HydrophobicContact CD1-CH2 4.3Å; L67-W78 HydrophobicContact CD2-CH2 3.91Å; L67-W78 HydrophobicContact CD2-CZ2 3.73Å; L73-W78 HydrophobicContact CD2-CZ2 4.42Å; L73-W78 PolarHBondContact O-NE1 3.33Å; S75-W78 VanDerWaalsContact O-CD1 3.24Å; N76-W78 VanDerWaalsContact C-N 3.32Å; N76-W78 PolarHBondContact O-N 3.34Å; W78-H80 PolarHBondContact O-N 3.31Å; W78-W81 HydrophobicContact CB-CB 4.5Å; W78-W81 HydrophobicContact CE3-CB 4.4Å; W78-W81 CarbonylContact O-C 3.52Å; W78-W81 WeakPolarHBondContact O-CA 3.32Å; W78-W81 WeakPolarHBondContact O-CB 3.39Å; W78-W81 PolarHBondContact O-N 3.26Å; W78-N82 HydrophobicContact CB-CB 4.04Å; W78-N82 VanDerWaalsContact O-CG 3.24Å; W78-N82 PolarHBondContact O-N 3.34Å; W78-N82 PolarHBondContact O-OD1 3.08Å; W78-P104 HydrophobicContact CB-CB 4.26Å; W78-P104 HydrophobicContact CB-CG 4.09Å; W78-P104 HydrophobicContact CD2-CB 3.51Å; W78-P104 HydrophobicContact CD2-CG 4.31Å; W78-P104 HydrophobicContact CE3-CB 3.45Å; W78-P104 VanDerWaalsContact CE3-CB 3.45Å; W78-P104 HydrophobicContact CE3-CG 4.36Å; W78-P104 HydrophobicContact CG-CB 3.9Å; W78-P104 HydrophobicContact CG-CG 4.24Å; W78-P104 HydrophobicContact CH2-CB 4.41Å; W78-P104 HydrophobicContact CZ2-CB 4.46Å; W78-P104 HydrophobicContact CZ3-CB 3.94Å; W78-P105 HydrophobicContact CH2-CB 3.81Å; W78-P105 HydrophobicContact CH2-CG 4.27Å; W78-P105 HydrophobicContact CZ2-CB 4.49Å; W78-P105 HydrophobicContact CZ3-CB 4.32Å; W78-P118 HydrophobicContact CH2-CG 4.39Å; W78-P118 HydrophobicContact CZ3-CB 3.92Å; W78-P118 HydrophobicContact CZ3-CG 3.81Å
79	T	93	Very high	76.7	Confident	9 Å²	9	71.4 Å²	71.4	6%	0.055	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	135.5	-172.6	-52.6	0	0	0	0	111.1	D62 W81 N155 G156 K157	D62-T79 PolarHBondContact N-O 2.91Å; D62-T79 PolarHBondContact O-N 2.85Å; T79-W81 PolarHBondContact O-N 3.33Å; T79-N155 WeakPolarHBondContact CG2-O 3.38Å; T79-G156 VanDerWaalsContact CG2-CA 3.41Å; T79-K157 HydrophobicContact CG2-CG 4.08Å; T79-K157 VanDerWaalsContact OG1-CE 3.24Å; T79-K157 WeakPolarHBondContact OG1-CE 3.48Å
80	H	95.7	Very high	79.2	Confident	1 Å²	1	71.2 Å²	71.2	1%	0.005	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	-39.5	-165.8	-70.3	-97.5	0	0	0	115.5	W60 Y61 W78 N82 H83 D153 G156 H369	W60-H80 AromaticContact CD1-CD2 3.89Å; W60-H80 AromaticContact CD1-CE1 3.99Å; W60-H80 AromaticContact CD1-CG 3.65Å; W60-H80 AromaticContact CD1-ND1 3.68Å; W60-H80 AromaticContact CD2-CE1 3.37Å; W60-H80 AromaticContact CD2-ND1 3.76Å; W60-H80 AromaticContact CD2-NE2 3.71Å; W60-H80 AromaticContact CE2-CE1 3.64Å; W60-H80 AromaticContact CE2-ND1 3.62Å; W60-H80 AromaticContact CE3-CE1 3.72Å; W60-H80 AromaticContact CG-CD2 3.64Å; W60-H80 AromaticContact CG-CE1 3.6Å; W60-H80 AromaticContact CG-CG 3.83Å; W60-H80 AromaticContact CG-ND1 3.77Å; W60-H80 AromaticContact CG-NE2 3.52Å; W60-H80 AromaticContact NE1-ND1 3.61Å; W60-H80 PolarHBondContact O-CD2 2.92Å; Y61-H80 HydrophobicContact CD1-CB 3.52Å; Y61-H80 HydrophobicContact CE1-CB 3.73Å; Y61-H80 HydrophobicContact CG-CB 4.32Å; W78-H80 PolarHBondContact O-N 3.31Å; H80-N82 PolarHBondContact O-N 2.87Å; H80-H83 VanDerWaalsContact O-CB 3.29Å; H80-H83 WeakPolarHBondContact O-CB 3.35Å; H80-H83 PolarHBondContact O-N 3.2Å; H80-D153 IonicContact CE1-OD1 3.66Å; H80-D153 IonicContact CE1-OD2 3.28Å; H80-D153 IonicContact NE2-OD1 3.51Å; H80-D153 PolarHBondContact NE2-OD1 2.83Å; H80-G156 WeakPolarHBondContact NE2-CA 3.05Å; H80-H369 AromaticContact CG-CE1 3.8Å; H80-H369 AromaticContact ND1-CE1 3.26Å; H80-H369 PolarHBondContact ND1-CE1 3.4Å; H80-H369 VanDerWaalsContact ND1-CE1 3.26Å; H80-H369 AromaticContact ND1-ND1 3.99Å; H80-H369 PolarHBondContact O-CE1 3.34Å; H80-H369 PolarHBondContact O-NE2 3.49Å
81	W	95.5	Very high	81.3	Confident	1 Å²	1	67.7 Å²	67.7	0%	0.004	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-30.6	175.7	-66.5	124	0	0	0	113.1	Y61 D62 W78 T79 P104 L108 A109 P114 P118 Y119 W368	Y61-W81 AromaticContact CD1-CD2 3.83Å; Y61-W81 HydrophobicContact CD1-CD2 3.83Å; Y61-W81 AromaticContact CD1-CE2 3.77Å; Y61-W81 AromaticContact CD1-CE3 3.99Å; Y61-W81 HydrophobicContact CD1-CE3 3.99Å; Y61-W81 HydrophobicContact CD1-CG 4.42Å; Y61-W81 HydrophobicContact CD1-CH2 4Å; Y61-W81 AromaticContact CD1-CZ2 3.87Å; Y61-W81 HydrophobicContact CD1-CZ2 3.87Å; Y61-W81 HydrophobicContact CD1-CZ3 4.08Å; Y61-W81 HydrophobicContact CE1-CE3 4.36Å; Y61-W81 HydrophobicContact CE1-CH2 4.42Å; Y61-W81 HydrophobicContact CE1-CZ3 4.26Å; Y61-W81 HydrophobicContact CG-CD2 4.49Å; Y61-W81 AromaticContact CG-CE2 3.96Å; Y61-W81 HydrophobicContact CG-CH2 4.22Å; Y61-W81 AromaticContact CG-CZ2 3.81Å; Y61-W81 HydrophobicContact CG-CZ2 3.81Å; D62-W81 VanDerWaalsContact O-CD1 3.23Å; W78-W81 HydrophobicContact CB-CB 4.5Å; W78-W81 HydrophobicContact CE3-CB 4.4Å; W78-W81 CarbonylContact O-C 3.52Å; W78-W81 WeakPolarHBondContact O-CA 3.32Å; W78-W81 WeakPolarHBondContact O-CB 3.39Å; W78-W81 PolarHBondContact O-N 3.26Å; T79-W81 PolarHBondContact O-N 3.33Å; W81-P104 HydrophobicContact CB-CB 4.23Å; W81-P104 HydrophobicContact CB-CG 3.74Å; W81-P104 WeakPolarHBondContact O-CG 3.32Å; W81-L108 HydrophobicContact CB-CD2 4.38Å; W81-L108 HydrophobicContact CE3-CB 4.36Å; W81-L108 HydrophobicContact CE3-CD1 4.03Å; W81-L108 HydrophobicContact CE3-CD2 4.36Å; W81-L108 HydrophobicContact CE3-CG 4.48Å; W81-L108 HydrophobicContact CZ3-CD1 4.16Å; W81-A109 WeakPolarHBondContact O-CB 3.47Å; W81-A109 PolarHBondContact O-N 3.06Å; W81-P114 HydrophobicContact CH2-CG 3.44Å; W81-P114 VanDerWaalsContact CH2-CG 3.44Å; W81-P114 HydrophobicContact CZ2-CG 4.37Å; W81-P114 HydrophobicContact CZ3-CG 3.73Å; W81-P118 HydrophobicContact CD2-CB 3.72Å; W81-P118 HydrophobicContact CE3-CB 4.29Å; W81-P118 HydrophobicContact CG-CB 3.87Å; W81-P118 HydrophobicContact CZ2-CB 4.3Å; W81-Y119 HydrophobicContact CH2-CE1 4.26Å; W81-Y119 HydrophobicContact CZ2-CD1 4.11Å; W81-Y119 HydrophobicContact CZ2-CD2 4.35Å; W81-Y119 HydrophobicContact CZ2-CE1 4.01Å; W81-Y119 HydrophobicContact CZ2-CE2 4.23Å; W81-Y119 HydrophobicContact CZ2-CG 4.28Å; W81-Y119 PolarHBondContact NE1-O 3.31Å; W81-W368 HydrophobicContact CH2-CB 4.5Å; W81-W368 AromaticContact CH2-CD1 3.54Å; W81-W368 HydrophobicContact CH2-CD2 4.34Å; W81-W368 AromaticContact CH2-CG 3.88Å; W81-W368 HydrophobicContact CH2-CG 3.88Å; W81-W368 AromaticContact CH2-NE1 3.82Å; W81-W368 HydrophobicContact CZ3-CB 4.06Å; W81-W368 AromaticContact CZ3-CD1 3.98Å; W81-W368 HydrophobicContact CZ3-CD2 4.42Å; W81-W368 AromaticContact CZ3-CG 3.87Å; W81-W368 HydrophobicContact CZ3-CG 3.87Å
82	N	93.3	Very high	83.5	Confident	63 Å²	63	70.5 Å²	70.5	34%	0.337	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	20	176.3	71.4	-11.1	0	0	0	113.9	W78 H80 R84 P104	W78-N82 HydrophobicContact CB-CB 4.04Å; W78-N82 VanDerWaalsContact O-CG 3.24Å; W78-N82 PolarHBondContact O-N 3.34Å; W78-N82 PolarHBondContact O-OD1 3.08Å; H80-N82 PolarHBondContact O-N 2.87Å; N82-R84 PolarHBondContact O-N 2.86Å; N82-P104 HydrophobicContact CB-CG 3.94Å
83	H	94.5	Very high	85.5	Confident	16 Å²	16	72.3 Å²	72.3	7%	0.074	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-47.4	134.2	-176.7	-178.3	-66.6	0	0	0	111.8	H80 H102 A109 N155 V328 H369	H80-H83 VanDerWaalsContact O-CB 3.29Å; H80-H83 WeakPolarHBondContact O-CB 3.35Å; H80-H83 PolarHBondContact O-N 3.2Å; H83-H102 PolarHBondContact O-CE1 2.99Å; H83-H102 PolarHBondContact O-ND1 3.04Å; H83-A109 HydrophobicContact CB-CB 3.7Å; H83-N155 PolarHBondContact CD2-ND2 3.02Å; H83-N155 PolarHBondContact NE2-ND2 3.21Å; H83-V328 WeakPolarHBondContact CE1-CG1 3.38Å; H83-V328 WeakPolarHBondContact ND1-CG1 3.47Å; H83-H369 VanDerWaalsContact CB-CE1 3.5Å; H83-H369 WeakPolarHBondContact CB-CE1 3.28Å; H83-H369 AromaticContact CD2-CE1 3.49Å; H83-H369 PolarHBondContact CD2-CE1 2.73Å; H83-H369 VanDerWaalsContact CD2-CE1 3.49Å; H83-H369 AromaticContact CD2-ND1 3.68Å; H83-H369 AromaticContact CG-CE1 3.69Å; H83-H369 AromaticContact CG-ND1 4Å
84	R	92.8	Very high	87.4	Confident	131 Å²	131	70.6 Å²	70.6	49%	0.494	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-63.8	147.2	-176.5	67.4	-174	177.3	-166.7	-7.4	112.1	N82 L86 D154	N82-R84 PolarHBondContact O-N 2.86Å; R84-L86 HydrophobicContact CG-CD2 4.1Å; R84-L86 PolarHBondContact O-N 2.73Å; R84-D154 IonicContact CZ-OD2 3.97Å; R84-D154 IonicContact NH2-OD2 2.92Å; R84-D154 PolarHBondContact NH2-OD2 2.93Å
85	R	93.6	Very high	89.3	Confident	41 Å²	41	69.4 Å²	69.4	16%	0.155	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-68	127.6	167.7	-69.5	-175	170.1	104	-10.6	109.8	S98 E100 S327 V328 P330	R85-S98 WeakPolarHBondContact CD-O 3.14Å; R85-E100 WeakPolarHBondContact CD-O 3.09Å; R85-E100 VanDerWaalsContact NH1-C 3.27Å; R85-E100 PolarHBondContact NH1-O 3.31Å; R85-S327 WeakPolarHBondContact CG-O 3.07Å; R85-S327 PolarHBondContact NE-O 3.13Å; R85-V328 WeakPolarHBondContact CA-O 3.37Å; R85-P330 HydrophobicContact CG-CG 4.42Å
86	L	93.2	Very high	91	Very high	35 Å²	35	70.9 Å²	70.9	18%	0.183	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-85.6	130	-178	-62.5	178.6	0	0	0	110.2	R84 V328 R329 W331	R84-L86 HydrophobicContact CG-CD2 4.1Å; R84-L86 PolarHBondContact O-N 2.73Å; L86-V328 HydrophobicContact CD1-CG1 4.07Å; L86-V328 HydrophobicContact CG-CG1 4.11Å; L86-V328 PolarHBondContact N-O 2.81Å; L86-R329 HydrophobicContact CB-CG 4.48Å; L86-R329 HydrophobicContact CD1-CG 4.36Å; L86-R329 VanDerWaalsContact CD1-NH1 3.25Å; L86-W331 PolarHBondContact O-NE1 3.14Å
87	K	93.2	Very high	92.4	Very high	155 Å²	155	68.2 Å²	68.2	67%	0.674	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-73.3	142.8	177.9	-63.8	-178.3	-178.8	-178.8	0	110.2	A94 T99	K87-A94 HydrophobicContact CB-CB 4.3Å; K87-T99 HydrophobicContact CG-CG2 4.45Å
88	H	92.9	Very high	92.5	Very high	28 Å²	28	67.3 Å²	67.3	13%	0.13	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-62.1	143.6	168.2	-171.7	-81.8	0	0	0	109.7	N90 V93 A94 W331	H88-N90 VanDerWaalsContact C-N 3.31Å; H88-N90 WeakPolarHBondContact ND1-CB 3.24Å; H88-N90 PolarHBondContact ND1-N 3.43Å; H88-N90 PolarHBondContact ND1-O 2.58Å; H88-N90 PolarHBondContact O-N 2.9Å; H88-V93 HydrophobicContact CB-CB 4.3Å; H88-V93 HydrophobicContact CB-CG1 4.04Å; H88-A94 HydrophobicContact CB-CB 4.17Å; H88-W331 HydrophobicContact CB-CB 4.37Å; H88-W331 HydrophobicContact CB-CD2 4.14Å; H88-W331 HydrophobicContact CB-CG 3.82Å; H88-W331 AromaticContact CD2-CD2 3.65Å; H88-W331 AromaticContact CD2-CE3 3.69Å; H88-W331 AromaticContact CD2-CG 3.82Å
89	W	92.6	Very high	92.3	Very high	206 Å²	206	71.1 Å²	71.1	78%	0.78	37%	0.374	S	S	*	.	S	Bend	trans	-63.9	-35.8	-176.9	59.3	90.3	0	0	0	112.7	A91 W331	W89-A91 PolarHBondContact O-N 2.85Å; W89-W331 HydrophobicContact CE3-CH2 4.27Å; W89-W331 HydrophobicContact CE3-CZ3 4.48Å; W89-W331 HydrophobicContact CH2-CZ3 4.33Å; W89-W331 HydrophobicContact CZ3-CE3 4.31Å; W89-W331 AromaticContact CZ3-CH2 3.74Å; W89-W331 HydrophobicContact CZ3-CH2 3.74Å; W89-W331 AromaticContact CZ3-CZ3 3.61Å; W89-W331 HydrophobicContact CZ3-CZ3 3.61Å
90	N	93.4	Very high	92	Very high	74 Å²	74	73 Å²	73	40%	0.396	38%	0.382	S	S	.	.	S	Bend	trans	-75.7	111.6	168.3	-174.9	-26.6	0	0	0	110.3	H88 K92 V93 A94	H88-N90 VanDerWaalsContact C-N 3.31Å; H88-N90 WeakPolarHBondContact ND1-CB 3.24Å; H88-N90 PolarHBondContact ND1-N 3.43Å; H88-N90 PolarHBondContact ND1-O 2.58Å; H88-N90 PolarHBondContact O-N 2.9Å; N90-K92 VanDerWaalsContact C-N 3.25Å; N90-K92 PolarHBondContact O-N 3.18Å; N90-K92 WeakPolarHBondContact OD1-CB 3.45Å; N90-K92 PolarHBondContact OD1-N 3.15Å; N90-V93 HydrophobicContact CB-CB 4.24Å; N90-V93 HydrophobicContact CB-CG2 4Å; N90-V93 WeakPolarHBondContact O-CB 3.49Å; N90-V93 PolarHBondContact O-N 2.68Å; N90-A94 PolarHBondContact O-N 3.04Å
91	A	92.5	Very high	91.6	Very high	78 Å²	78	76.5 Å²	76.5	65%	0.645	41%	0.407	S	S	*	.	H	α-helix	trans	-57	-33.7	-179.2	0	0	0	0	0	114	W89 V93 A94 S95	W89-A91 PolarHBondContact O-N 2.85Å; A91-V93 VanDerWaalsContact C-N 3.32Å; A91-V93 PolarHBondContact O-N 3.17Å; A91-A94 PolarHBondContact O-N 3.38Å; A91-S95 PolarHBondContact O-N 2.88Å; A91-S95 VanDerWaalsContact O-N 3.16Å
92	K	93.3	Very high	91.4	Very high	184 Å²	184	76.8 Å²	76.8	80%	0.8	41%	0.408	S	S	*	.	H	α-helix	trans	-68.9	-32.2	178.2	-168.1	-177.4	-178.5	-176.6	0	112.1	N90 S95	N90-K92 VanDerWaalsContact C-N 3.25Å; N90-K92 PolarHBondContact O-N 3.18Å; N90-K92 WeakPolarHBondContact OD1-CB 3.45Å; N90-K92 PolarHBondContact OD1-N 3.15Å; K92-S95 PolarHBondContact O-OG 3.38Å
93	V	91.8	Very high	91.2	Very high	52 Å²	52	78.1 Å²	78.1	32%	0.315	41%	0.412	S	S	.	.	H	α-helix	trans	-76.6	-42.8	173.1	177.7	0	0	0	0	109.4	H88 N90 A91 S95 G96 Y97	H88-V93 HydrophobicContact CB-CB 4.3Å; H88-V93 HydrophobicContact CB-CG1 4.04Å; N90-V93 HydrophobicContact CB-CB 4.24Å; N90-V93 HydrophobicContact CB-CG2 4Å; N90-V93 WeakPolarHBondContact O-CB 3.49Å; N90-V93 PolarHBondContact O-N 2.68Å; A91-V93 VanDerWaalsContact C-N 3.32Å; A91-V93 PolarHBondContact O-N 3.17Å; V93-S95 PolarHBondContact O-N 2.97Å; V93-G96 PolarHBondContact O-N 2.88Å; V93-Y97 HydrophobicContact CG1-CD2 4.29Å; V93-Y97 HydrophobicContact CG1-CE2 3.67Å; V93-Y97 VanDerWaalsContact O-CD2 3.28Å; V93-Y97 WeakPolarHBondContact O-CD2 3.03Å
94	A	92	Very high	91	Very high	16 Å²	16	78.1 Å²	78.1	13%	0.132	41%	0.414	C	S	.	.	H	α-helix	trans	-57.2	-34	-178.8	0	0	0	0	0	113.6	K87 H88 N90 A91 G96 Y97	K87-A94 HydrophobicContact CB-CB 4.3Å; H88-A94 HydrophobicContact CB-CB 4.17Å; N90-A94 PolarHBondContact O-N 3.04Å; A91-A94 PolarHBondContact O-N 3.38Å; A94-G96 PolarHBondContact O-N 3.28Å; A94-Y97 PolarHBondContact O-N 3.15Å
95	S	90.7	Very high	90.9	Very high	103 Å²	103	71.9 Å²	71.9	72%	0.72	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-16.8	176.7	58.1	0	0	0	0	114.2	A91 K92 V93	A91-S95 PolarHBondContact O-N 2.88Å; A91-S95 VanDerWaalsContact O-N 3.16Å; K92-S95 PolarHBondContact O-OG 3.38Å; V93-S95 PolarHBondContact O-N 2.97Å
96	G	92	Very high	90.6	Very high	64 Å²	64	72.1 Å²	72.1	66%	0.66	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-3.3	177.5	0	0	0	0	0	114.6	V93 A94	V93-G96 PolarHBondContact O-N 2.88Å; A94-G96 PolarHBondContact O-N 3.28Å
97	Y	90.6	Very high	90.4	Very high	91 Å²	91	70.7 Å²	70.7	36%	0.357	38%	0.384	S	S	.	.	S	Bend	trans	-122.9	145.1	-174.4	-66.3	-79.9	0	0	0	112.1	V93 A94 P330 W331	V93-Y97 HydrophobicContact CG1-CD2 4.29Å; V93-Y97 HydrophobicContact CG1-CE2 3.67Å; V93-Y97 VanDerWaalsContact O-CD2 3.28Å; V93-Y97 WeakPolarHBondContact O-CD2 3.03Å; A94-Y97 PolarHBondContact O-N 3.15Å; Y97-P330 HydrophobicContact CD1-CB 3.74Å; Y97-P330 WeakPolarHBondContact CD1-O 3.34Å; Y97-P330 WeakPolarHBondContact CE1-O 3.21Å; Y97-P330 HydrophobicContact CG-CB 4.26Å; Y97-W331 HydrophobicContact CD1-CB 4.27Å; Y97-W331 HydrophobicContact CD2-CB 3.78Å; Y97-W331 HydrophobicContact CE1-CB 4Å; Y97-W331 HydrophobicContact CE2-CB 3.48Å; Y97-W331 VanDerWaalsContact CE2-CB 3.48Å; Y97-W331 HydrophobicContact CG-CB 4.17Å
98	S	84.9	Confident	90.5	Very high	55 Å²	55	63.3 Å²	63.3	39%	0.385	35%	0.352	S	S	.	.			trans	-61.7	136.1	178.3	179.6	0	0	0	0	111.8	R85 E100	R85-S98 WeakPolarHBondContact CD-O 3.14Å; S98-E100 VanDerWaalsContact OG-CB 3.24Å; S98-E100 WeakPolarHBondContact OG-CB 2.9Å; S98-E100 PolarHBondContact OG-N 3.37Å; S98-E100 VanDerWaalsContact OG-N 3.09Å
99	T	87	Confident	90.6	Very high	91 Å²	91	62 Å²	62	56%	0.558	35%	0.346	S	S	*	.			trans	-108.3	14.6	168.8	65.2	0	0	0	0	111.7	K87	K87-T99 HydrophobicContact CG-CG2 4.45Å
100	E	86.2	Confident	90.8	Very high	48 Å²	48	52.1 Å²	52.1	22%	0.224	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-54.1	146.7	178.4	-172.3	-174.1	-172.8	0	0	109.7	R85 S98 T387	R85-E100 WeakPolarHBondContact CD-O 3.09Å; R85-E100 VanDerWaalsContact NH1-C 3.27Å; R85-E100 PolarHBondContact NH1-O 3.31Å; S98-E100 VanDerWaalsContact OG-CB 3.24Å; S98-E100 WeakPolarHBondContact OG-CB 2.9Å; S98-E100 PolarHBondContact OG-N 3.37Å; S98-E100 VanDerWaalsContact OG-N 3.09Å; E100-T387 WeakPolarHBondContact OE1-CB 3.5Å; E100-T387 WeakPolarHBondContact OE1-CG2 3.39Å
101	S	88.6	Confident	91	Very high	75 Å²	75	48.9 Å²	48.9	52%	0.524	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-74.9	154.3	174.5	-62.7	0	0	0	0	110.8	H103	S101-H103 PolarHBondContact O-CD2 3.48Å
102	H	91.1	Very high	91.2	Very high	7 Å²	7	45.3 Å²	45.3	3%	0.032	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-76.2	145.3	163.9	-67.4	106.7	0	0	0	108.8	H83 L107 L108 A109 S327	H83-H102 PolarHBondContact O-CE1 2.99Å; H83-H102 PolarHBondContact O-ND1 3.04Å; H102-L107 CarbonylContact C-O 3.56Å; H102-L107 WeakPolarHBondContact CA-O 3.29Å; H102-L107 VanDerWaalsContact CB-O 3.28Å; H102-L107 WeakPolarHBondContact CB-O 3.22Å; H102-L108 VanDerWaalsContact CD2-C 3.46Å; H102-L108 PolarHBondContact CD2-O 2.83Å; H102-A109 HydrophobicContact CB-CB 4.49Å; H102-S327 PolarHBondContact CE1-O 2.73Å; H102-S327 PolarHBondContact NE2-O 2.9Å; H102-S327 PolarHBondContact NE2-OG 3.48Å
103	H	89.2	Confident	91.4	Very high	91 Å²	91	36.7 Å²	36.7	42%	0.421	22%	0.224	S	C	.	.	B	Isolated β-bridge	trans	-127.4	73.1	-178	-64.1	-70.7	0	0	0	111	S101 Y106 L107	S101-H103 PolarHBondContact O-CD2 3.48Å; H103-Y106 PolarHBondContact O-N 2.92Å; H103-Y106 VanDerWaalsContact O-N 3.13Å; H103-L107 CarbonylContact C-O 3.56Å; H103-L107 VanDerWaalsContact C-O 3.29Å; H103-L107 HydrophobicContact CB-CB 4.19Å; H103-L107 PolarHBondContact N-O 2.88Å; H103-L107 PolarHBondContact O-N 3.09Å
104	P	90.5	Very high	91.7	Very high	15 Å²	15	34.2 Å²	34.2	10%	0.097	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	151.7	171.8	-26.5	37.8	0	0	0	112.5	W78 W81 N82 Y106 L108	W78-P104 HydrophobicContact CB-CB 4.26Å; W78-P104 HydrophobicContact CB-CG 4.09Å; W78-P104 HydrophobicContact CD2-CB 3.51Å; W78-P104 HydrophobicContact CD2-CG 4.31Å; W78-P104 HydrophobicContact CE3-CB 3.45Å; W78-P104 VanDerWaalsContact CE3-CB 3.45Å; W78-P104 HydrophobicContact CE3-CG 4.36Å; W78-P104 HydrophobicContact CG-CB 3.9Å; W78-P104 HydrophobicContact CG-CG 4.24Å; W78-P104 HydrophobicContact CH2-CB 4.41Å; W78-P104 HydrophobicContact CZ2-CB 4.46Å; W78-P104 HydrophobicContact CZ3-CB 3.94Å; W81-P104 HydrophobicContact CB-CB 4.23Å; W81-P104 HydrophobicContact CB-CG 3.74Å; W81-P104 WeakPolarHBondContact O-CG 3.32Å; N82-P104 HydrophobicContact CB-CG 3.94Å; P104-Y106 VanDerWaalsContact C-N 3.3Å; P104-L108 HydrophobicContact CB-CD2 3.72Å; P104-L108 HydrophobicContact CG-CD2 3.96Å
105	P	88.8	Confident	91.9	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	cis	-82.3	3.6	3.2	33.4	-35.5	0	0	0	114.3	L29 L73 W78 Y113 P118	L29-P105 HydrophobicContact CD1-CG 3.58Å; L73-P105 VanDerWaalsContact CD2-CD 3.49Å; L73-P105 HydrophobicContact CD2-CG 4.07Å; W78-P105 HydrophobicContact CH2-CB 3.81Å; W78-P105 HydrophobicContact CH2-CG 4.27Å; W78-P105 HydrophobicContact CZ2-CB 4.49Å; W78-P105 HydrophobicContact CZ3-CB 4.32Å; P105-Y113 VanDerWaalsContact O-CE2 3.31Å; P105-Y113 WeakPolarHBondContact O-CE2 2.81Å; P105-Y113 PolarHBondContact O-OH 2.73Å; P105-P118 HydrophobicContact CB-CG 3.63Å
106	Y	87.8	Confident	92.1	Very high	46 Å²	46	32.1 Å²	32.1	18%	0.18	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-44.5	-170	-49.6	-70.2	0	0	0	113.7	L29 H103 P104 W382 Y392	L29-Y106 HydrophobicContact CD1-CE1 3.82Å; L29-Y106 WeakPolarHBondContact CD1-OH 3.47Å; H103-Y106 PolarHBondContact O-N 2.92Å; H103-Y106 VanDerWaalsContact O-N 3.13Å; P104-Y106 VanDerWaalsContact C-N 3.3Å; Y106-W382 AromaticContact CD1-CE3 3.8Å; Y106-W382 HydrophobicContact CD1-CE3 3.8Å; Y106-W382 HydrophobicContact CD1-CH2 4.44Å; Y106-W382 AromaticContact CD1-CZ3 3.63Å; Y106-W382 HydrophobicContact CD1-CZ3 3.63Å; Y106-W382 HydrophobicContact CD2-CH2 4.19Å; Y106-W382 HydrophobicContact CD2-CZ3 4.17Å; Y106-W382 HydrophobicContact CE1-CZ3 4.17Å; Y106-W382 HydrophobicContact CG-CD2 4.29Å; Y106-W382 AromaticContact CG-CE3 3.75Å; Y106-W382 HydrophobicContact CG-CE3 3.75Å; Y106-W382 HydrophobicContact CG-CH2 4.07Å; Y106-W382 AromaticContact CG-CZ3 3.63Å; Y106-W382 HydrophobicContact CG-CZ3 3.63Å; Y106-Y392 PolarHBondContact O-OH 3.19Å
107	L	89.9	Confident	92.2	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.021	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-114.1	88.6	179.1	-177.8	62.7	0	0	0	108.9	H102 H103 R390 Y392	H102-L107 CarbonylContact C-O 3.56Å; H102-L107 WeakPolarHBondContact CA-O 3.29Å; H102-L107 VanDerWaalsContact CB-O 3.28Å; H102-L107 WeakPolarHBondContact CB-O 3.22Å; H103-L107 CarbonylContact C-O 3.56Å; H103-L107 VanDerWaalsContact C-O 3.29Å; H103-L107 HydrophobicContact CB-CB 4.19Å; H103-L107 PolarHBondContact N-O 2.88Å; H103-L107 PolarHBondContact O-N 3.09Å; L107-R390 HydrophobicContact CD1-CB 4.3Å; L107-R390 VanDerWaalsContact CD1-CD 3.47Å; L107-Y392 VanDerWaalsContact CA-OH 3.28Å; L107-Y392 WeakPolarHBondContact CA-OH 3.37Å
108	L	94.1	Very high	92.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.14	C	C	.	.			trans	-82.8	154.8	179.4	-51.6	-176.7	0	0	0	110.8	W81 H102 P104 S110 Y113 P114 P118 S327 R390 Y392	W81-L108 HydrophobicContact CB-CD2 4.38Å; W81-L108 HydrophobicContact CE3-CB 4.36Å; W81-L108 HydrophobicContact CE3-CD1 4.03Å; W81-L108 HydrophobicContact CE3-CD2 4.36Å; W81-L108 HydrophobicContact CE3-CG 4.48Å; W81-L108 HydrophobicContact CZ3-CD1 4.16Å; H102-L108 VanDerWaalsContact CD2-C 3.46Å; H102-L108 PolarHBondContact CD2-O 2.83Å; P104-L108 HydrophobicContact CB-CD2 3.72Å; P104-L108 HydrophobicContact CG-CD2 3.96Å; L108-S110 PolarHBondContact O-N 2.99Å; L108-Y113 HydrophobicContact CD1-CD2 3.74Å; L108-Y113 HydrophobicContact CD1-CE2 3.63Å; L108-Y113 HydrophobicContact CD1-CG 4.47Å; L108-Y113 HydrophobicContact CG-CD2 4.32Å; L108-Y113 HydrophobicContact CG-CE2 4.02Å; L108-P114 HydrophobicContact CD1-CG 4.44Å; L108-P118 HydrophobicContact CD1-CB 4.26Å; L108-P118 HydrophobicContact CD2-CB 3.86Å; L108-P118 HydrophobicContact CD2-CG 4.09Å; L108-S327 PolarHBondContact O-OG 2.86Å; L108-R390 PolarHBondContact O-NH1 3.49Å; L108-Y392 HydrophobicContact CB-CE1 4.34Å; L108-Y392 PolarHBondContact N-OH 3.46Å
109	A	95.7	Very high	92.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	-73.8	44.8	168.3	0	0	0	0	0	112.7	W81 H83 H102 V328 H369	W81-A109 WeakPolarHBondContact O-CB 3.47Å; W81-A109 PolarHBondContact O-N 3.06Å; H83-A109 HydrophobicContact CB-CB 3.7Å; H102-A109 HydrophobicContact CB-CB 4.49Å; A109-V328 HydrophobicContact CB-CG2 4Å; A109-H369 WeakPolarHBondContact O-CA 3.43Å; A109-H369 PolarHBondContact O-CD2 2.84Å
110	S	97	Very high	93.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	-144.3	148.6	178.8	-175.8	0	0	0	0	110.8	L108 F112 S327 W368 R390 Y392	L108-S110 PolarHBondContact O-N 2.99Å; S110-F112 VanDerWaalsContact C-N 3.32Å; S110-F112 WeakPolarHBondContact CB-O 3.33Å; S110-F112 PolarHBondContact OG-N 2.87Å; S110-F112 PolarHBondContact OG-O 2.79Å; S110-F112 VanDerWaalsContact OG-O 3.1Å; S110-S327 PolarHBondContact N-OG 3.34Å; S110-W368 WeakPolarHBondContact CA-O 3.13Å; S110-W368 WeakPolarHBondContact CB-O 3.39Å; S110-W368 PolarHBondContact OG-O 3.36Å; S110-R390 PolarHBondContact O-NH1 2.83Å; S110-R390 PolarHBondContact O-NH2 2.81Å; S110-Y392 VanDerWaalsContact O-CE1 3.27Å; S110-Y392 WeakPolarHBondContact O-CE1 3.47Å
111	S	96.7	Very high	93.5	Very high	6 Å²	6	17 Å²	17	4%	0.042	9%	0.09	C	C	.	.	S	Bend	trans	-75.9	-18.5	170.9	-72.8	0	0	0	0	114.3	H324 M393	S111-H324 PolarHBondContact OG-CE1 2.75Å; S111-H324 VanDerWaalsContact OG-CE1 3.27Å; S111-H324 PolarHBondContact OG-ND1 3.48Å; S111-H324 PolarHBondContact OG-O 2.85Å; S111-M393 PolarHBondContact O-N 3.28Å
112	F	98.1	Very high	93.7	Very high	3 Å²	3	17.9 Å²	17.9	1%	0.013	8%	0.084	C	C	.	.	B	Isolated β-bridge	trans	-114.8	156.3	179.2	-66.2	-94.3	0	0	0	109.9	S110 W368 Q373 A377 Y392 M393 Y395	S110-F112 VanDerWaalsContact C-N 3.32Å; S110-F112 WeakPolarHBondContact CB-O 3.33Å; S110-F112 PolarHBondContact OG-N 2.87Å; S110-F112 PolarHBondContact OG-O 2.79Å; S110-F112 VanDerWaalsContact OG-O 3.1Å; F112-W368 HydrophobicContact CB-CE3 4.06Å; F112-W368 HydrophobicContact CB-CZ3 3.68Å; F112-Q373 VanDerWaalsContact CB-NE2 3.3Å; F112-A377 HydrophobicContact CB-CB 4.06Å; F112-A377 HydrophobicContact CD1-CB 4.18Å; F112-Y392 VanDerWaalsContact C-CD1 3.5Å; F112-M393 HydrophobicContact CD1-CB 3.68Å; F112-M393 VanDerWaalsContact CD1-O 3.24Å; F112-M393 WeakPolarHBondContact CD1-O 3.39Å; F112-M393 HydrophobicContact CD2-CB 4.38Å; F112-M393 HydrophobicContact CE1-CB 3.38Å; F112-M393 HydrophobicContact CE2-CB 4.13Å; F112-M393 HydrophobicContact CE2-CE 4.44Å; F112-M393 HydrophobicContact CE2-SD 4Å; F112-M393 HydrophobicContact CG-CB 4.17Å; F112-M393 HydrophobicContact CZ-CB 3.63Å; F112-M393 HydrophobicContact CZ-CE 3.91Å; F112-M393 HydrophobicContact CZ-CG 4.42Å; F112-M393 HydrophobicContact CZ-SD 3.96Å; F112-Y395 HydrophobicContact CD1-CD1 4.39Å; F112-Y395 AromaticContact CD1-CE1 3.8Å; F112-Y395 HydrophobicContact CD1-CE1 3.8Å; F112-Y395 HydrophobicContact CE1-CD1 4.1Å; F112-Y395 AromaticContact CE1-CE1 3.69Å; F112-Y395 HydrophobicContact CE1-CE1 3.69Å
113	Y	97.5	Very high	93.7	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.008	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	121.9	176.9	-158.5	-86.2	0	0	0	110.2	W31 P105 L108 K115 P118 A377 I378 F380 Y392	W31-Y113 AromaticContact CH2-CE1 3.93Å; W31-Y113 HydrophobicContact CH2-CE1 3.93Å; W31-Y113 WeakPolarHBondContact CH2-OH 3.33Å; P105-Y113 VanDerWaalsContact O-CE2 3.31Å; P105-Y113 WeakPolarHBondContact O-CE2 2.81Å; P105-Y113 PolarHBondContact O-OH 2.73Å; L108-Y113 HydrophobicContact CD1-CD2 3.74Å; L108-Y113 HydrophobicContact CD1-CE2 3.63Å; L108-Y113 HydrophobicContact CD1-CG 4.47Å; L108-Y113 HydrophobicContact CG-CD2 4.32Å; L108-Y113 HydrophobicContact CG-CE2 4.02Å; Y113-K115 PolarHBondContact O-N 3Å; Y113-P118 WeakPolarHBondContact OH-CD 3.35Å; Y113-A377 CarbonylContact O-C 3.56Å; Y113-A377 VanDerWaalsContact O-CA 3.22Å; Y113-A377 WeakPolarHBondContact O-CA 3.36Å; Y113-A377 WeakPolarHBondContact O-CB 3.21Å; Y113-I378 HydrophobicContact CD1-CD1 4.06Å; Y113-I378 HydrophobicContact CD1-CG1 3.99Å; Y113-I378 PolarHBondContact O-N 2.78Å; Y113-F380 VanDerWaalsContact CB-CB 3.48Å; Y113-F380 HydrophobicContact CD1-CB 4.17Å; Y113-F380 AromaticContact CD1-CD2 3.98Å; Y113-F380 HydrophobicContact CD1-CD2 3.98Å; Y113-F380 HydrophobicContact CD1-CG 4.05Å; Y113-F380 HydrophobicContact CD2-CB 3.93Å; Y113-F380 AromaticContact CD2-CD1 3.49Å; Y113-F380 HydrophobicContact CD2-CD1 3.49Å; Y113-F380 VanDerWaalsContact CD2-CD1 3.49Å; Y113-F380 HydrophobicContact CD2-CD2 4.15Å; Y113-F380 AromaticContact CD2-CE1 3.98Å; Y113-F380 HydrophobicContact CD2-CE1 3.98Å; Y113-F380 AromaticContact CD2-CG 3.58Å; Y113-F380 HydrophobicContact CD2-CG 3.58Å; Y113-F380 HydrophobicContact CD2-CZ 4.49Å; Y113-F380 HydrophobicContact CE1-CD2 4.01Å; Y113-F380 HydrophobicContact CE1-CE2 4.17Å; Y113-F380 HydrophobicContact CE1-CG 4.39Å; Y113-F380 AromaticContact CE2-CD1 3.7Å; Y113-F380 HydrophobicContact CE2-CD1 3.7Å; Y113-F380 HydrophobicContact CE2-CD2 4.18Å; Y113-F380 AromaticContact CE2-CE1 3.68Å; Y113-F380 HydrophobicContact CE2-CE1 3.68Å; Y113-F380 HydrophobicContact CE2-CE2 4.15Å; Y113-F380 AromaticContact CE2-CG 3.96Å; Y113-F380 HydrophobicContact CE2-CG 3.96Å; Y113-F380 AromaticContact CE2-CZ 3.91Å; Y113-F380 HydrophobicContact CE2-CZ 3.91Å; Y113-F380 HydrophobicContact CG-CB 3.58Å; Y113-F380 HydrophobicContact CG-CD1 4.04Å; Y113-F380 HydrophobicContact CG-CD2 4.04Å; Y113-F380 AromaticContact CG-CG 3.62Å; Y113-F380 HydrophobicContact CG-CG 3.62Å; Y113-F380 AromaticContact CZ-CE2 3.93Å; Y113-Y392 HydrophobicContact CD2-CD1 4.34Å; Y113-Y392 HydrophobicContact CD2-CD2 4.45Å; Y113-Y392 HydrophobicContact CD2-CE1 4.08Å; Y113-Y392 HydrophobicContact CD2-CE2 4.18Å; Y113-Y392 AromaticContact CD2-CZ 3.97Å
114	P	97.7	Very high	94	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	135.7	-179.4	-17.3	26.7	0	0	0	112	W81 L108 L116 G117 W368	W81-P114 HydrophobicContact CH2-CG 3.44Å; W81-P114 VanDerWaalsContact CH2-CG 3.44Å; W81-P114 HydrophobicContact CZ2-CG 4.37Å; W81-P114 HydrophobicContact CZ3-CG 3.73Å; L108-P114 HydrophobicContact CD1-CG 4.44Å; P114-L116 PolarHBondContact O-N 2.84Å; P114-G117 WeakPolarHBondContact CB-O 3.19Å; P114-G117 WeakPolarHBondContact O-CA 3.48Å; P114-G117 PolarHBondContact O-N 2.93Å; P114-W368 HydrophobicContact CB-CH2 3.71Å; P114-W368 HydrophobicContact CB-CZ2 3.49Å; P114-W368 VanDerWaalsContact CB-CZ2 3.49Å; P114-W368 HydrophobicContact CB-CZ3 4.33Å; P114-W368 HydrophobicContact CG-CD2 3.91Å; P114-W368 HydrophobicContact CG-CE3 4.06Å; P114-W368 HydrophobicContact CG-CH2 3.87Å; P114-W368 HydrophobicContact CG-CZ2 3.67Å; P114-W368 HydrophobicContact CG-CZ3 4.03Å
115	K	96	Very high	94.1	Very high	64 Å²	64	24.9 Å²	24.9	28%	0.278	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-34.3	173	-179.6	173.1	176.9	174.6	0	111.8	Y113 G117 S376 I378 P400 E401	Y113-K115 PolarHBondContact O-N 3Å; K115-G117 PolarHBondContact O-N 3.23Å; K115-S376 WeakPolarHBondContact CB-O 3.43Å; K115-S376 PolarHBondContact N-O 3.13Å; K115-I378 HydrophobicContact CB-CG2 3.86Å; K115-I378 HydrophobicContact CD-CG2 4.44Å; K115-I378 HydrophobicContact CG-CG2 3.88Å; K115-P400 HydrophobicContact CD-CB 3.78Å; K115-P400 HydrophobicContact CD-CG 4.14Å; K115-E401 WeakPolarHBondContact CD-OE1 3.32Å; K115-E401 IonicContact NZ-OE1 2.69Å; K115-E401 PolarHBondContact NZ-OE1 3.09Å; K115-E401 IonicContact NZ-OE2 3.99Å
116	L	94.8	Very high	94.4	Very high	11 Å²	11	25.4 Å²	25.4	6%	0.058	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	1.6	176.8	-58.2	180	0	0	0	113.1	I33 P114 Y119 I126 I129 M133	I33-L116 WeakPolarHBondContact CD1-O 3.46Å; I33-L116 HydrophobicContact CG2-CD2 4.45Å; P114-L116 PolarHBondContact O-N 2.84Å; L116-Y119 HydrophobicContact CB-CD1 4.02Å; L116-I126 HydrophobicContact CB-CD1 4.3Å; L116-I126 HydrophobicContact CD1-CD1 4.13Å; L116-I129 HydrophobicContact CD1-CG2 3.9Å; L116-I129 HydrophobicContact CD2-CD1 4.4Å; L116-I129 HydrophobicContact CD2-CG2 4.05Å; L116-M133 HydrophobicContact CD1-CE 4.37Å
117	G	93.4	Very high	94.8	Very high	2 Å²	2	23.2 Å²	23.2	2%	0.021	12%	0.117	C	C	.	.			trans	67.4	175.5	-167	0	0	0	0	0	112	P114 K115 Y119	P114-G117 WeakPolarHBondContact CB-O 3.19Å; P114-G117 WeakPolarHBondContact O-CA 3.48Å; P114-G117 PolarHBondContact O-N 2.93Å; K115-G117 PolarHBondContact O-N 3.23Å; G117-Y119 WeakPolarHBondContact O-CD1 3.44Å; G117-Y119 PolarHBondContact O-N 2.83Å
118	P	93.6	Very high	95.1	Very high	11 Å²	11	25.2 Å²	25.2	7%	0.071	13%	0.127	C	C	.	.	S	Bend	trans	-65.8	101	171.3	28.3	-33.8	0	0	0	109.4	A63 W78 W81 P105 L108 Y113	A63-P118 WeakPolarHBondContact CB-O 3.46Å; W78-P118 HydrophobicContact CH2-CG 4.39Å; W78-P118 HydrophobicContact CZ3-CB 3.92Å; W78-P118 HydrophobicContact CZ3-CG 3.81Å; W81-P118 HydrophobicContact CD2-CB 3.72Å; W81-P118 HydrophobicContact CE3-CB 4.29Å; W81-P118 HydrophobicContact CG-CB 3.87Å; W81-P118 HydrophobicContact CZ2-CB 4.3Å; P105-P118 HydrophobicContact CB-CG 3.63Å; L108-P118 HydrophobicContact CD1-CB 4.26Å; L108-P118 HydrophobicContact CD2-CB 3.86Å; L108-P118 HydrophobicContact CD2-CG 4.09Å; Y113-P118 WeakPolarHBondContact OH-CD 3.35Å
119	Y	94.8	Very high	95.2	Very high	10 Å²	10	26.1 Å²	26.1	4%	0.039	13%	0.131	C	C	.	.			trans	-94.1	168.4	-173.6	56.3	-105.9	0	0	0	112.7	Y61 W81 L116 G117 I126 H130 N366 W368 E375	Y61-Y119 HydrophobicContact CD2-CE2 4.38Å; W81-Y119 HydrophobicContact CH2-CE1 4.26Å; W81-Y119 HydrophobicContact CZ2-CD1 4.11Å; W81-Y119 HydrophobicContact CZ2-CD2 4.35Å; W81-Y119 HydrophobicContact CZ2-CE1 4.01Å; W81-Y119 HydrophobicContact CZ2-CE2 4.23Å; W81-Y119 HydrophobicContact CZ2-CG 4.28Å; W81-Y119 PolarHBondContact NE1-O 3.31Å; L116-Y119 HydrophobicContact CB-CD1 4.02Å; G117-Y119 WeakPolarHBondContact O-CD1 3.44Å; G117-Y119 PolarHBondContact O-N 2.83Å; Y119-I126 HydrophobicContact CD1-CG2 4.4Å; Y119-I126 HydrophobicContact CD2-CG2 3.78Å; Y119-I126 HydrophobicContact CE2-CG2 4.26Å; Y119-I126 HydrophobicContact CG-CD1 4.41Å; Y119-I126 HydrophobicContact CG-CG2 3.89Å; Y119-H130 AromaticContact CE1-NE2 3.94Å; Y119-H130 AromaticContact CE2-CE1 3.89Å; Y119-H130 AromaticContact CZ-CE1 3.63Å; Y119-H130 AromaticContact CZ-NE2 3.91Å; Y119-N366 PolarHBondContact OH-ND2 2.88Å; Y119-W368 PolarHBondContact OH-NE1 2.7Å; Y119-E375 WeakPolarHBondContact CE1-OE1 3.42Å; Y119-E375 PolarHBondContact OH-OE2 2.72Å
120	S	93.2	Very high	95.3	Very high	10 Å²	10	26.1 Å²	26.1	7%	0.07	13%	0.131	C	C	.	.			trans	-93.4	125.1	161.8	-177	0	0	0	0	109.6	D62 K122 D123	D62-S120 WeakPolarHBondContact OD1-CB 3.39Å; D62-S120 PolarHBondContact OD1-OG 3.25Å; S120-K122 PolarHBondContact O-N 2.65Å; S120-K122 PolarHBondContact OG-N 3.43Å; S120-D123 WeakPolarHBondContact O-CB 3.44Å; S120-D123 PolarHBondContact O-N 2.84Å
121	S	94.8	Very high	95.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-13.6	175.4	-53.1	0	0	0	0	112.2	A59 Y61 M162	A59-S121 VanDerWaalsContact C-CB 3.44Å; A59-S121 VanDerWaalsContact O-CB 3.3Å; A59-S121 WeakPolarHBondContact O-CB 3.36Å; Y61-S121 PolarHBondContact N-OG 2.88Å; Y61-S121 VanDerWaalsContact N-OG 3.1Å; Y61-S121 VanDerWaalsContact O-CB 3.27Å; Y61-S121 WeakPolarHBondContact O-CB 3.24Å; Y61-S121 PolarHBondContact O-N 3.42Å; Y61-S121 PolarHBondContact O-OG 3.25Å; S121-M162 WeakPolarHBondContact O-CE 3.39Å
122	K	92.2	Very high	95.3	Very high	93 Å²	93	27 Å²	27	40%	0.404	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-13.1	175.6	-50.7	-160.2	171.2	-177.7	0	113.7	S120 L124 M162	S120-K122 PolarHBondContact O-N 2.65Å; S120-K122 PolarHBondContact OG-N 3.43Å; K122-L124 PolarHBondContact O-N 2.84Å; K122-M162 HydrophobicContact CB-CE 4.28Å; K122-M162 HydrophobicContact CB-SD 3.77Å; K122-M162 HydrophobicContact CD-SD 3.97Å; K122-M162 HydrophobicContact CG-CE 4.42Å; K122-M162 HydrophobicContact CG-CG 4.24Å; K122-M162 HydrophobicContact CG-SD 3.51Å; K122-M162 VanDerWaalsContact CG-SD 3.51Å
123	D	92.7	Very high	95.3	Very high	54 Å²	54	27.1 Å²	27.1	29%	0.289	14%	0.135	S	C	.	.			trans	-70.6	117.7	177.3	-171.3	-27.9	0	0	0	109.8	S120 N125 I126 I127	S120-D123 WeakPolarHBondContact O-CB 3.44Å; S120-D123 PolarHBondContact O-N 2.84Å; D123-N125 PolarHBondContact O-N 2.89Å; D123-N125 WeakPolarHBondContact OD1-CB 3.21Å; D123-N125 PolarHBondContact OD1-N 3.28Å; D123-I126 HydrophobicContact CB-CB 4.05Å; D123-I126 HydrophobicContact CB-CG1 3.71Å; D123-I126 WeakPolarHBondContact O-CB 3.3Å; D123-I126 PolarHBondContact O-N 3.31Å; D123-I126 VanDerWaalsContact O-N 3.12Å; D123-I127 WeakPolarHBondContact O-CG1 3.35Å; D123-I127 PolarHBondContact O-N 3.48Å
124	L	93.7	Very high	95.3	Very high	92 Å²	92	27 Å²	27	48%	0.482	14%	0.135	S	C	.	.	H	α-helix	trans	-62.9	-30.7	-178.6	-58.1	-176.4	0	0	0	112.3	K122 I127 H128 P165 I169	K122-L124 PolarHBondContact O-N 2.84Å; L124-I127 HydrophobicContact CD2-CD1 4.17Å; L124-I127 PolarHBondContact O-N 2.59Å; L124-H128 PolarHBondContact O-CD2 3.15Å; L124-H128 VanDerWaalsContact O-CD2 3.25Å; L124-H128 PolarHBondContact O-N 2.78Å; L124-P165 HydrophobicContact CD2-CB 4Å; L124-I169 HydrophobicContact CB-CD1 4.19Å; L124-I169 HydrophobicContact CD2-CD1 4.05Å
125	N	94	Very high	95.3	Very high	114 Å²	114	27.4 Å²	27.4	61%	0.61	14%	0.136	S	C	*	.	H	α-helix	trans	-68.1	-39.8	176	-66.3	-36.7	0	0	0	110.8	D123 I127 H128 I129	D123-N125 PolarHBondContact O-N 2.89Å; D123-N125 WeakPolarHBondContact OD1-CB 3.21Å; D123-N125 PolarHBondContact OD1-N 3.28Å; N125-I127 VanDerWaalsContact C-N 3.35Å; N125-H128 WeakPolarHBondContact O-CB 3.32Å; N125-H128 PolarHBondContact O-N 3.42Å; N125-I129 WeakPolarHBondContact O-CD1 3.42Å; N125-I129 VanDerWaalsContact O-CG1 3.25Å; N125-I129 WeakPolarHBondContact O-CG1 3.36Å; N125-I129 PolarHBondContact O-N 3.29Å
126	I	94.9	Very high	95.3	Very high	11 Å²	11	25.1 Å²	25.1	6%	0.056	13%	0.126	C	C	.	.	H	α-helix	trans	-62.9	-43.4	174.8	-63.1	-68	0	0	0	110.4	L116 Y119 D123 H128 I129 H130	L116-I126 HydrophobicContact CB-CD1 4.3Å; L116-I126 HydrophobicContact CD1-CD1 4.13Å; Y119-I126 HydrophobicContact CD1-CG2 4.4Å; Y119-I126 HydrophobicContact CD2-CG2 3.78Å; Y119-I126 HydrophobicContact CE2-CG2 4.26Å; Y119-I126 HydrophobicContact CG-CD1 4.41Å; Y119-I126 HydrophobicContact CG-CG2 3.89Å; D123-I126 HydrophobicContact CB-CB 4.05Å; D123-I126 HydrophobicContact CB-CG1 3.71Å; D123-I126 WeakPolarHBondContact O-CB 3.3Å; D123-I126 PolarHBondContact O-N 3.31Å; D123-I126 VanDerWaalsContact O-N 3.12Å; I126-H128 VanDerWaalsContact C-N 3.32Å; I126-H128 PolarHBondContact O-N 2.99Å; I126-I129 HydrophobicContact CD1-CD1 4.49Å; I126-I129 PolarHBondContact O-N 3.18Å; I126-H130 WeakPolarHBondContact CG2-NE2 3.43Å; I126-H130 PolarHBondContact O-CD2 2.98Å; I126-H130 VanDerWaalsContact O-CG 3.28Å; I126-H130 PolarHBondContact O-N 3.09Å
127	I	96.1	Very high	95.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.2	-42.9	175.7	-59.7	169.9	0	0	0	110.9	D123 L124 N125 I129 H130 M131 M162 P165 L166 I169	D123-I127 WeakPolarHBondContact O-CG1 3.35Å; D123-I127 PolarHBondContact O-N 3.48Å; L124-I127 HydrophobicContact CD2-CD1 4.17Å; L124-I127 PolarHBondContact O-N 2.59Å; N125-I127 VanDerWaalsContact C-N 3.35Å; I127-I129 PolarHBondContact O-N 2.77Å; I127-H130 PolarHBondContact O-N 2.98Å; I127-M131 HydrophobicContact CG2-CE 3.91Å; I127-M131 HydrophobicContact CG2-CG 4.47Å; I127-M131 WeakPolarHBondContact O-CG 3.41Å; I127-M131 PolarHBondContact O-N 2.95Å; I127-M162 HydrophobicContact CD1-CE 3.59Å; I127-P165 HydrophobicContact CD1-CB 4.42Å; I127-L166 HydrophobicContact CD1-CD2 4.05Å; I127-L166 HydrophobicContact CG1-CD2 4.12Å; I127-L166 HydrophobicContact CG2-CD2 3.82Å; I127-I169 HydrophobicContact CB-CD1 3.78Å; I127-I169 HydrophobicContact CD1-CD1 4.32Å; I127-I169 HydrophobicContact CG2-CB 3.87Å; I127-I169 HydrophobicContact CG2-CD1 3.66Å; I127-I169 HydrophobicContact CG2-CG1 4.34Å; I127-I169 HydrophobicContact CG2-CG2 3.88Å
128	H	96.9	Very high	95.6	Very high	47 Å²	47	24.5 Å²	24.5	22%	0.218	12%	0.123	C	C	.	.	H	α-helix	trans	-57.5	-48.6	175	-92.1	-76.3	0	0	0	111.8	L124 N125 I126 H130 M131 E132 Y173	L124-H128 PolarHBondContact O-CD2 3.15Å; L124-H128 VanDerWaalsContact O-CD2 3.25Å; L124-H128 PolarHBondContact O-N 2.78Å; N125-H128 WeakPolarHBondContact O-CB 3.32Å; N125-H128 PolarHBondContact O-N 3.42Å; I126-H128 VanDerWaalsContact C-N 3.32Å; I126-H128 PolarHBondContact O-N 2.99Å; H128-H130 VanDerWaalsContact C-N 3.33Å; H128-H130 PolarHBondContact O-N 3.44Å; H128-M131 PolarHBondContact O-N 3.14Å; H128-E132 WeakPolarHBondContact O-CG 3.47Å; H128-E132 PolarHBondContact O-N 3.48Å; H128-Y173 AromaticContact CE1-CE2 4Å; H128-Y173 AromaticContact ND1-CE2 3.41Å; H128-Y173 WeakPolarHBondContact ND1-CE2 3.04Å; H128-Y173 AromaticContact ND1-CZ 3.59Å; H128-Y173 PolarHBondContact ND1-OH 2.94Å
129	I	95.9	Very high	95.8	Very high	18 Å²	18	24 Å²	24	9%	0.092	12%	0.119	C	C	.	.	H	α-helix	trans	-61.4	-42.4	177.9	-66.1	159.4	0	0	0	111.1	L35 L116 N125 I126 I127 M131 E132 M133	L35-I129 HydrophobicContact CD2-CD1 3.42Å; L35-I129 VanDerWaalsContact CD2-CD1 3.42Å; L35-I129 HydrophobicContact CD2-CG1 3.92Å; L116-I129 HydrophobicContact CD1-CG2 3.9Å; L116-I129 HydrophobicContact CD2-CD1 4.4Å; L116-I129 HydrophobicContact CD2-CG2 4.05Å; N125-I129 WeakPolarHBondContact O-CD1 3.42Å; N125-I129 VanDerWaalsContact O-CG1 3.25Å; N125-I129 WeakPolarHBondContact O-CG1 3.36Å; N125-I129 PolarHBondContact O-N 3.29Å; I126-I129 HydrophobicContact CD1-CD1 4.49Å; I126-I129 PolarHBondContact O-N 3.18Å; I127-I129 PolarHBondContact O-N 2.77Å; I129-M131 PolarHBondContact O-N 2.84Å; I129-E132 WeakPolarHBondContact O-CB 3.29Å; I129-E132 PolarHBondContact O-N 3.5Å; I129-M133 HydrophobicContact CG2-CE 3.72Å; I129-M133 HydrophobicContact CG2-SD 4.3Å; I129-M133 WeakPolarHBondContact O-CG 3.46Å; I129-M133 PolarHBondContact O-N 3.1Å
130	H	98.1	Very high	96	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60	-46.8	175.8	-70.5	-177.5	0	0	0	111.1	Y57 Y119 I126 I127 H128 E132 M133 I134 F365 E375	Y57-H130 HydrophobicContact CE2-CB 4.18Å; Y57-H130 AromaticContact CE2-ND1 3.55Å; Y57-H130 AromaticContact CZ-ND1 3.65Å; Y57-H130 PolarHBondContact OH-ND1 2.79Å; Y119-H130 AromaticContact CE1-NE2 3.94Å; Y119-H130 AromaticContact CE2-CE1 3.89Å; Y119-H130 AromaticContact CZ-CE1 3.63Å; Y119-H130 AromaticContact CZ-NE2 3.91Å; I126-H130 WeakPolarHBondContact CG2-NE2 3.43Å; I126-H130 PolarHBondContact O-CD2 2.98Å; I126-H130 VanDerWaalsContact O-CG 3.28Å; I126-H130 PolarHBondContact O-N 3.09Å; I127-H130 PolarHBondContact O-N 2.98Å; H128-H130 VanDerWaalsContact C-N 3.33Å; H128-H130 PolarHBondContact O-N 3.44Å; H130-E132 VanDerWaalsContact C-N 3.26Å; H130-E132 PolarHBondContact O-N 2.97Å; H130-M133 WeakPolarHBondContact O-CB 3.33Å; H130-M133 PolarHBondContact O-N 3.06Å; H130-M133 VanDerWaalsContact O-N 3.12Å; H130-I134 HydrophobicContact CB-CD1 4.28Å; H130-I134 WeakPolarHBondContact O-CB 3.17Å; H130-I134 VanDerWaalsContact O-CD1 3.25Å; H130-I134 WeakPolarHBondContact O-CD1 3.23Å; H130-I134 WeakPolarHBondContact O-CG1 3.47Å; H130-I134 PolarHBondContact O-N 3.37Å; H130-F365 HydrophobicContact CB-CE1 3.76Å; H130-F365 HydrophobicContact CB-CZ 3.85Å; H130-F365 AromaticContact CD2-CE1 3.8Å; H130-F365 AromaticContact CD2-CZ 3.89Å; H130-F365 AromaticContact CG-CE1 3.48Å; H130-F365 VanDerWaalsContact CG-CE1 3.48Å; H130-F365 AromaticContact CG-CZ 3.82Å; H130-F365 AromaticContact ND1-CE1 3.66Å; H130-E375 IonicContact NE2-OE1 2.82Å; H130-E375 IonicContact NE2-OE2 3.33Å
131	M	97.7	Very high	96.3	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62.8	-33.4	178.1	-63.5	-54.5	152.9	0	0	112.3	I127 H128 I129 I134 R135 L142 L166 I169 A170 Y173 I175	I127-M131 HydrophobicContact CG2-CE 3.91Å; I127-M131 HydrophobicContact CG2-CG 4.47Å; I127-M131 WeakPolarHBondContact O-CG 3.41Å; I127-M131 PolarHBondContact O-N 2.95Å; H128-M131 PolarHBondContact O-N 3.14Å; I129-M131 PolarHBondContact O-N 2.84Å; M131-I134 HydrophobicContact SD-CD1 4.18Å; M131-R135 WeakPolarHBondContact O-CB 3.38Å; M131-R135 PolarHBondContact O-N 2.55Å; M131-L142 HydrophobicContact CE-CD1 3.64Å; M131-L142 HydrophobicContact SD-CD1 3.93Å; M131-L166 HydrophobicContact CE-CD2 4.28Å; M131-I169 HydrophobicContact CG-CG2 3.91Å; M131-A170 HydrophobicContact CE-CB 4.17Å; M131-A170 HydrophobicContact SD-CB 3.93Å; M131-Y173 HydrophobicContact CB-CD1 4.24Å; M131-Y173 HydrophobicContact CB-CD2 3.34Å; M131-Y173 HydrophobicContact CB-CE2 3.7Å; M131-Y173 HydrophobicContact CB-CG 3.65Å; M131-Y173 HydrophobicContact CG-CD2 3.96Å; M131-Y173 HydrophobicContact CG-CE2 4.37Å; M131-I175 HydrophobicContact CB-CD1 4.04Å; M131-I175 HydrophobicContact CG-CD1 4.44Å; M131-I175 WeakPolarHBondContact O-CD1 3.46Å; M131-I175 HydrophobicContact SD-CB 4.45Å; M131-I175 HydrophobicContact SD-CD1 3.77Å; M131-I175 HydrophobicContact SD-CG2 4.28Å
132	E	95.9	Very high	96.5	Very high	25 Å²	25	23 Å²	23	12%	0.117	11%	0.114	C	C	.	.	H	α-helix	trans	-64.5	-45	171.7	-69.8	-178	132.3	0	0	112.1	I38 S40 H128 I129 H130 R135 F136 Y173	I38-E132 HydrophobicContact CG2-CB 4.26Å; I38-E132 VanDerWaalsContact O-OE2 3.14Å; S40-E132 WeakPolarHBondContact CB-OE1 3.2Å; S40-E132 PolarHBondContact N-OE1 2.83Å; S40-E132 PolarHBondContact OG-OE1 2.93Å; H128-E132 WeakPolarHBondContact O-CG 3.47Å; H128-E132 PolarHBondContact O-N 3.48Å; I129-E132 WeakPolarHBondContact O-CB 3.29Å; I129-E132 PolarHBondContact O-N 3.5Å; H130-E132 VanDerWaalsContact C-N 3.26Å; H130-E132 PolarHBondContact O-N 2.97Å; E132-R135 PolarHBondContact O-N 2.92Å; E132-F136 VanDerWaalsContact O-CB 3.24Å; E132-F136 WeakPolarHBondContact O-CB 3.46Å; E132-F136 PolarHBondContact O-N 2.91Å; E132-Y173 HydrophobicContact CG-CD1 4.4Å; E132-Y173 HydrophobicContact CG-CE1 3.48Å; E132-Y173 VanDerWaalsContact CG-CE1 3.48Å
133	M	97.4	Very high	96.8	Very high	6 Å²	6	18.6 Å²	18.6	3%	0.03	10%	0.095	C	C	.	.	H	α-helix	trans	-62.1	-45.1	175	-70.2	174.9	175.8	0	0	112.2	I38 L116 I129 H130 F136 A137 F365 E375 L404	I38-M133 HydrophobicContact CD1-CE 4.19Å; I38-M133 HydrophobicContact CD1-CG 3.65Å; L116-M133 HydrophobicContact CD1-CE 4.37Å; I129-M133 HydrophobicContact CG2-CE 3.72Å; I129-M133 HydrophobicContact CG2-SD 4.3Å; I129-M133 WeakPolarHBondContact O-CG 3.46Å; I129-M133 PolarHBondContact O-N 3.1Å; H130-M133 WeakPolarHBondContact O-CB 3.33Å; H130-M133 PolarHBondContact O-N 3.06Å; H130-M133 VanDerWaalsContact O-N 3.12Å; M133-F136 WeakPolarHBondContact O-CB 3.36Å; M133-F136 PolarHBondContact O-N 3.46Å; M133-A137 WeakPolarHBondContact O-CB 3.35Å; M133-A137 PolarHBondContact O-N 2.74Å; M133-F365 HydrophobicContact CB-CE2 3.87Å; M133-F365 HydrophobicContact CB-CZ 4.11Å; M133-F365 HydrophobicContact SD-CE2 4.5Å; M133-F365 HydrophobicContact SD-CZ 4.1Å; M133-E375 HydrophobicContact SD-CG 4.08Å; M133-L404 HydrophobicContact CB-CD1 3.87Å; M133-L404 HydrophobicContact CB-CD2 4.1Å; M133-L404 HydrophobicContact CG-CD1 3.75Å; M133-L404 HydrophobicContact SD-CD1 4.28Å
134	I	98.2	Very high	97.1	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-64.9	-44.7	-179.6	-68.8	158.2	0	0	0	110	Y57 H130 M131 A137 G138 I139 L142 I175 F365	Y57-I134 HydrophobicContact CD2-CD1 4.29Å; Y57-I134 HydrophobicContact CE2-CD1 4.37Å; H130-I134 HydrophobicContact CB-CD1 4.28Å; H130-I134 WeakPolarHBondContact O-CB 3.17Å; H130-I134 VanDerWaalsContact O-CD1 3.25Å; H130-I134 WeakPolarHBondContact O-CD1 3.23Å; H130-I134 WeakPolarHBondContact O-CG1 3.47Å; H130-I134 PolarHBondContact O-N 3.37Å; M131-I134 HydrophobicContact SD-CD1 4.18Å; I134-A137 PolarHBondContact O-N 2.93Å; I134-G138 PolarHBondContact O-N 3.38Å; I134-I139 HydrophobicContact CG2-CB 3.76Å; I134-I139 HydrophobicContact CG2-CG2 3.99Å; I134-I139 PolarHBondContact O-N 3.1Å; I134-I139 VanDerWaalsContact O-N 3.15Å; I134-L142 HydrophobicContact CD1-CD1 3.64Å; I134-L142 HydrophobicContact CD1-CD2 3.63Å; I134-L142 HydrophobicContact CD1-CG 4.15Å; I134-L142 HydrophobicContact CG1-CD2 4.11Å; I134-L142 HydrophobicContact CG2-CD2 3.9Å; I134-L142 HydrophobicContact CG2-CG 4.46Å; I134-I175 HydrophobicContact CB-CD1 3.98Å; I134-I175 HydrophobicContact CG2-CD1 3.62Å; I134-I175 HydrophobicContact CG2-CG1 4.27Å; I134-I175 HydrophobicContact CG2-CG2 4.46Å; I134-F365 HydrophobicContact CD1-CD1 4.25Å; I134-F365 HydrophobicContact CD1-CD2 4.14Å; I134-F365 HydrophobicContact CD1-CE1 4.28Å; I134-F365 HydrophobicContact CD1-CE2 4.15Å; I134-F365 HydrophobicContact CD1-CG 4.19Å; I134-F365 HydrophobicContact CD1-CZ 4.22Å; I134-F365 HydrophobicContact CG1-CD2 3.54Å; I134-F365 HydrophobicContact CG1-CE2 3.54Å; I134-F365 HydrophobicContact CG1-CG 4.06Å; I134-F365 HydrophobicContact CG1-CZ 4.08Å
135	R	96	Very high	97.3	Very high	8 Å²	8	11.7 Å²	11.7	3%	0.03	6%	0.059	C	C	.	.	H	α-helix	trans	-63.6	-43.1	173.5	-179.9	168.6	-169.4	81.5	11.3	111.2	D44 L45 L47 L49 M131 E132 A137 G138 Y173 I175 R408	D44-R135 PolarHBondContact O-NE 3.15Å; D44-R135 PolarHBondContact O-NH2 3.15Å; D44-R135 VanDerWaalsContact O-NH2 3.12Å; L45-R135 PolarHBondContact O-NH2 3.27Å; L47-R135 PolarHBondContact O-NH2 2.76Å; L49-R135 HydrophobicContact CD2-CB 4.39Å; L49-R135 HydrophobicContact CD2-CG 4.05Å; M131-R135 WeakPolarHBondContact O-CB 3.38Å; M131-R135 PolarHBondContact O-N 2.55Å; E132-R135 PolarHBondContact O-N 2.92Å; R135-A137 VanDerWaalsContact C-N 3.28Å; R135-A137 PolarHBondContact O-N 3.16Å; R135-G138 PolarHBondContact O-N 2.92Å; R135-Y173 PolarHBondContact NH1-O 3.44Å; R135-I175 HydrophobicContact CB-CD1 4.32Å; R135-R408 PolarHBondContact O-NH2 3.43Å
136	F	96.2	Very high	97.5	Very high	15 Å²	15	6.5 Å²	6.5	7%	0.066	3%	0.03	C	C	.	.	H	α-helix	trans	-57.9	-42.6	175	177.8	-84.6	0	0	0	111.3	I38 E132 M133 G138 L404 R405 R408 P421 K423 F424	I38-F136 HydrophobicContact CG2-CB 4.26Å; I38-F136 HydrophobicContact CG2-CD2 4.47Å; E132-F136 VanDerWaalsContact O-CB 3.24Å; E132-F136 WeakPolarHBondContact O-CB 3.46Å; E132-F136 PolarHBondContact O-N 2.91Å; M133-F136 WeakPolarHBondContact O-CB 3.36Å; M133-F136 PolarHBondContact O-N 3.46Å; F136-G138 VanDerWaalsContact C-N 3.25Å; F136-G138 PolarHBondContact O-N 3.25Å; F136-L404 HydrophobicContact CD1-CB 3.9Å; F136-L404 HydrophobicContact CE1-CB 4.08Å; F136-R405 HydrophobicContact CE1-CB 4.47Å; F136-R405 HydrophobicContact CE1-CG 3.71Å; F136-R405 HydrophobicContact CZ-CG 3.76Å; F136-R408 PolarHBondContact O-NE 2.9Å; F136-R408 PolarHBondContact O-NH2 2.77Å; F136-R408 VanDerWaalsContact O-NH2 3.17Å; F136-P421 HydrophobicContact CD2-CB 3.66Å; F136-P421 HydrophobicContact CD2-CG 3.79Å; F136-P421 HydrophobicContact CE2-CB 3.75Å; F136-P421 HydrophobicContact CE2-CG 3.96Å; F136-P421 HydrophobicContact CG-CG 4.27Å; F136-K423 HydrophobicContact CE2-CB 4.24Å; F136-F424 HydrophobicContact CZ-CB 4.49Å; F136-F424 HydrophobicContact CZ-CD2 4.18Å
137	A	97.8	Very high	97.7	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-69.6	-16.8	176.1	0	0	0	0	0	114	M133 I134 R135 I139 I374 L404 T407 R408 V411	M133-A137 WeakPolarHBondContact O-CB 3.35Å; M133-A137 PolarHBondContact O-N 2.74Å; I134-A137 PolarHBondContact O-N 2.93Å; R135-A137 VanDerWaalsContact C-N 3.28Å; R135-A137 PolarHBondContact O-N 3.16Å; A137-I139 HydrophobicContact CB-CD1 4.1Å; A137-I139 HydrophobicContact CB-CG1 4.16Å; A137-I374 HydrophobicContact CB-CD1 4.44Å; A137-L404 HydrophobicContact CB-CD2 4.26Å; A137-T407 HydrophobicContact CB-CG2 3.89Å; A137-R408 VanDerWaalsContact O-CA 3.26Å; A137-R408 WeakPolarHBondContact O-CA 3.09Å; A137-R408 PolarHBondContact O-N 3.48Å; A137-V411 WeakPolarHBondContact O-CG2 3.24Å
138	G	97.5	Very high	97.7	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	11	178.7	0	0	0	0	0	114.9	S50 I134 R135 F136	S50-G138 PolarHBondContact N-O 3.2Å; I134-G138 PolarHBondContact O-N 3.38Å; R135-G138 PolarHBondContact O-N 2.92Å; F136-G138 VanDerWaalsContact C-N 3.25Å; F136-G138 PolarHBondContact O-N 3.25Å
139	I	98.6	Very high	97.5	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	126.2	179.7	-60.1	170.8	0	0	0	108.8	V53 I134 A137 V141 L142 I362 I374 T407	V53-I139 HydrophobicContact CG1-CG1 4.08Å; I134-I139 HydrophobicContact CG2-CB 3.76Å; I134-I139 HydrophobicContact CG2-CG2 3.99Å; I134-I139 PolarHBondContact O-N 3.1Å; I134-I139 VanDerWaalsContact O-N 3.15Å; A137-I139 HydrophobicContact CB-CD1 4.1Å; A137-I139 HydrophobicContact CB-CG1 4.16Å; I139-V141 VanDerWaalsContact CG2-O 3.26Å; I139-V141 WeakPolarHBondContact CG2-O 3.29Å; I139-L142 HydrophobicContact CG2-CD2 4.45Å; I139-I362 HydrophobicContact CD1-CD1 3.77Å; I139-I362 HydrophobicContact CG1-CD1 3.95Å; I139-I374 HydrophobicContact CD1-CD1 3.75Å; I139-T407 HydrophobicContact CD1-CG2 4.23Å; I139-T407 HydrophobicContact CG1-CG2 4.23Å
140	G	98.3	Very high	97.4	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-20.3	-178.5	0	0	0	0	0	114.6	S50 Y51 K176	S50-G140 VanDerWaalsContact O-CA 3.24Å; S50-G140 WeakPolarHBondContact O-CA 3.5Å; S50-G140 PolarHBondContact O-N 3.32Å; Y51-G140 VanDerWaalsContact CD1-O 3.31Å; Y51-G140 WeakPolarHBondContact CD1-O 3.34Å; Y51-G140 WeakPolarHBondContact CE1-O 3.37Å; G140-K176 PolarHBondContact O-N 2.88Å
141	V	98.9	Very high	97.3	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	134.6	-178.6	-172.8	0	0	0	0	110.3	Y51 V53 H54 G55 I139 K176 Y211	Y51-V141 HydrophobicContact CD1-CG2 4.12Å; Y51-V141 WeakPolarHBondContact O-CG2 3.43Å; V53-V141 PolarHBondContact O-N 2.91Å; H54-V141 CarbonylContact C-O 3.57Å; H54-V141 VanDerWaalsContact CA-O 3.31Å; H54-V141 WeakPolarHBondContact CA-O 3.32Å; H54-V141 HydrophobicContact CB-CB 4.5Å; G55-V141 PolarHBondContact N-O 2.88Å; I139-V141 VanDerWaalsContact CG2-O 3.26Å; I139-V141 WeakPolarHBondContact CG2-O 3.29Å; V141-K176 CarbonylContact C-O 3.35Å; V141-K176 VanDerWaalsContact CA-O 3.32Å; V141-K176 WeakPolarHBondContact CA-O 3.4Å; V141-K176 HydrophobicContact CG2-CB 4.35Å; V141-Y211 HydrophobicContact CG1-CD1 3.95Å; V141-Y211 HydrophobicContact CG1-CD2 4.28Å; V141-Y211 HydrophobicContact CG1-CG 3.81Å; V141-Y211 HydrophobicContact CG2-CD1 4.33Å; V141-Y211 HydrophobicContact CG2-CD2 3.56Å; V141-Y211 HydrophobicContact CG2-CE1 4.37Å; V141-Y211 HydrophobicContact CG2-CE2 3.59Å; V141-Y211 HydrophobicContact CG2-CG 3.96Å
142	L	98.9	Very high	97.1	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	133.3	163.8	-60.4	177.4	0	0	0	110.5	G55 Y57 M131 I134 I139 V144 I175 K176 I177 C178	G55-L142 CarbonylContact O-C 3.53Å; G55-L142 VanDerWaalsContact O-CA 3.28Å; G55-L142 WeakPolarHBondContact O-CA 3.2Å; Y57-L142 HydrophobicContact CD2-CD1 4.01Å; Y57-L142 HydrophobicContact CD2-CD2 4.47Å; Y57-L142 HydrophobicContact CG-CD1 4.16Å; M131-L142 HydrophobicContact CE-CD1 3.64Å; M131-L142 HydrophobicContact SD-CD1 3.93Å; I134-L142 HydrophobicContact CD1-CD1 3.64Å; I134-L142 HydrophobicContact CD1-CD2 3.63Å; I134-L142 HydrophobicContact CD1-CG 4.15Å; I134-L142 HydrophobicContact CG1-CD2 4.11Å; I134-L142 HydrophobicContact CG2-CD2 3.9Å; I134-L142 HydrophobicContact CG2-CG 4.46Å; I139-L142 HydrophobicContact CG2-CD2 4.45Å; L142-V144 HydrophobicContact CB-CG2 4.14Å; L142-I175 HydrophobicContact CD1-CG2 4.31Å; L142-I175 HydrophobicContact CG-CG2 4.02Å; L142-K176 PolarHBondContact N-O 3.44Å; L142-I177 HydrophobicContact CB-CG1 4.35Å; L142-I177 WeakPolarHBondContact O-CA 3.34Å; L142-C178 PolarHBondContact O-N 2.83Å
143	V	98.9	Very high	97	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	99.8	169.3	-156.8	0	0	0	0	106.9	H54 G55 F56 Y57 H180 Y228	H54-V143 HydrophobicContact CB-CG2 3.81Å; G55-V143 PolarHBondContact O-N 2.91Å; F56-V143 WeakPolarHBondContact CA-O 3.5Å; F56-V143 HydrophobicContact CD1-CB 4.01Å; F56-V143 HydrophobicContact CD1-CG1 4.38Å; F56-V143 HydrophobicContact CE1-CB 4.12Å; F56-V143 HydrophobicContact CE1-CG1 4.13Å; F56-V143 HydrophobicContact CE1-CG2 4.48Å; F56-V143 HydrophobicContact CG-CB 4.47Å; Y57-V143 PolarHBondContact N-O 3.19Å; V143-H180 HydrophobicContact CG1-CB 3.73Å; V143-Y228 HydrophobicContact CG1-CD1 4.21Å; V143-Y228 HydrophobicContact CG1-CD2 3.58Å; V143-Y228 HydrophobicContact CG1-CE2 4.21Å; V143-Y228 HydrophobicContact CG1-CG 3.59Å; V143-Y228 HydrophobicContact CG2-CD2 4.45Å; V143-Y228 HydrophobicContact CG2-CE2 4.27Å
144	V	98.9	Very high	96.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	119.8	-170.4	174.8	0	0	0	0	110.1	Y57 L142 W146 I163 L166 I177 C178 H180	Y57-V144 HydrophobicContact CD1-CG1 4.43Å; Y57-V144 HydrophobicContact CD1-CG2 4.05Å; Y57-V144 HydrophobicContact CG-CG2 4.46Å; Y57-V144 WeakPolarHBondContact O-CA 3.45Å; L142-V144 HydrophobicContact CB-CG2 4.14Å; V144-W146 PolarHBondContact O-N 2.92Å; V144-I163 HydrophobicContact CG1-CD1 4.01Å; V144-L166 HydrophobicContact CG1-CD1 3.96Å; V144-L166 HydrophobicContact CG2-CD1 4.5Å; V144-I177 HydrophobicContact CB-CG2 4.22Å; V144-I177 HydrophobicContact CG2-CD1 4.44Å; V144-I177 HydrophobicContact CG2-CG2 3.63Å; V144-C178 PolarHBondContact N-O 2.84Å; V144-H180 PolarHBondContact O-N 3.45Å
145	S	98.5	Very high	96.2	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.014	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.3	123.1	170.2	178.6	0	0	0	0	110.3	Y57 W60 E182	Y57-S145 PolarHBondContact O-N 3.02Å; W60-S145 WeakPolarHBondContact CZ3-OG 3.44Å; S145-E182 WeakPolarHBondContact CB-OE1 3.32Å; S145-E182 VanDerWaalsContact OG-CD 3.29Å; S145-E182 VanDerWaalsContact OG-CG 3.23Å; S145-E182 WeakPolarHBondContact OG-CG 3.38Å; S145-E182 PolarHBondContact OG-OE1 3.34Å
146	W	98.5	Very high	95.8	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.015	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	134.9	-172.7	-178.9	79.7	0	0	0	112.4	V144 P148 D160 I163 L179 H180 L181 E182 D195 Y198 I199	V144-W146 PolarHBondContact O-N 2.92Å; W146-P148 HydrophobicContact CH2-CB 4.13Å; W146-P148 HydrophobicContact CH2-CG 4.08Å; W146-P148 HydrophobicContact CZ3-CG 4.01Å; W146-D160 PolarHBondContact NE1-OD1 2.74Å; W146-I163 HydrophobicContact CG-CD1 4.48Å; W146-L179 HydrophobicContact CB-CB 4.2Å; W146-L179 HydrophobicContact CB-CD2 3.99Å; W146-L179 HydrophobicContact CB-CG 4.46Å; W146-L179 HydrophobicContact CD2-CD1 3.92Å; W146-L179 HydrophobicContact CE3-CD1 4.27Å; W146-L179 HydrophobicContact CG-CD1 4.06Å; W146-L179 HydrophobicContact CG-CD2 4.04Å; W146-L179 HydrophobicContact CG-CG 4.43Å; W146-H180 PolarHBondContact N-O 3.27Å; W146-L181 HydrophobicContact CE3-CD1 3.67Å; W146-L181 HydrophobicContact CZ3-CD1 3.61Å; W146-E182 PolarHBondContact O-N 2.89Å; W146-D195 HydrophobicContact CH2-CB 4.23Å; W146-D195 HydrophobicContact CZ3-CB 4.22Å; W146-Y198 HydrophobicContact CH2-CD1 4.23Å; W146-Y198 AromaticContact CZ2-CD1 3.95Å; W146-Y198 HydrophobicContact CZ2-CD1 3.95Å; W146-Y198 HydrophobicContact CZ2-CE1 4.05Å; W146-I199 HydrophobicContact CH2-CG2 3.49Å; W146-I199 VanDerWaalsContact CH2-CG2 3.49Å; W146-I199 HydrophobicContact CZ2-CG2 3.53Å; W146-I199 HydrophobicContact CZ3-CG2 4.09Å
147	Y	97.9	Very high	95.6	Very high	14 Å²	14	30.3 Å²	30.3	6%	0.055	17%	0.171	C	C	.	.			trans	-112	146.8	169.5	-70.3	-91.1	0	0	0	109.6	W60 M151 V159 E182 P183	W60-Y147 HydrophobicContact CE3-CE2 4.36Å; W60-Y147 HydrophobicContact CZ3-CE2 4.23Å; Y147-M151 WeakPolarHBondContact CB-O 3.28Å; Y147-V159 HydrophobicContact CD2-CG2 4.3Å; Y147-E182 HydrophobicContact CD1-CB 3.95Å; Y147-E182 HydrophobicContact CD2-CB 4.17Å; Y147-E182 HydrophobicContact CD2-CG 4.14Å; Y147-E182 HydrophobicContact CE1-CB 3.48Å; Y147-E182 VanDerWaalsContact CE1-CB 3.48Å; Y147-E182 HydrophobicContact CE1-CG 4.31Å; Y147-E182 HydrophobicContact CE2-CB 3.73Å; Y147-E182 HydrophobicContact CE2-CG 3.61Å; Y147-E182 HydrophobicContact CG-CB 4.26Å; Y147-P183 WeakPolarHBondContact CE1-O 3.43Å
148	P	96.1	Very high	95.4	Very high	6 Å²	6	32.8 Å²	32.8	4%	0.039	19%	0.187	C	C	.	.			trans	-54.5	159.1	172.1	-26.6	36.2	0	0	0	113.2	W146 G150 M151 L181 Y184 D195	W146-P148 HydrophobicContact CH2-CB 4.13Å; W146-P148 HydrophobicContact CH2-CG 4.08Å; W146-P148 HydrophobicContact CZ3-CG 4.01Å; P148-G150 PolarHBondContact O-N 3.49Å; P148-M151 HydrophobicContact CB-CG 4.43Å; P148-M151 HydrophobicContact CB-SD 4.08Å; P148-M151 HydrophobicContact CG-SD 4.23Å; P148-M151 WeakPolarHBondContact O-CB 3.25Å; P148-M151 PolarHBondContact O-N 3.33Å; P148-L181 HydrophobicContact CG-CD1 4.46Å; P148-Y184 HydrophobicContact CG-CD1 3.98Å; P148-Y184 HydrophobicContact CG-CE1 3.62Å; P148-D195 WeakPolarHBondContact CB-OD1 3.42Å; P148-D195 HydrophobicContact CG-CB 4.48Å; P148-D195 VanDerWaalsContact CG-CG 3.4Å; P148-D195 WeakPolarHBondContact CG-OD1 3.47Å; P148-D195 WeakPolarHBondContact CG-OD2 3.26Å
149	K	93.3	Very high	95.2	Very high	138 Å²	138	33.1 Å²	33.1	60%	0.6	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.6	125.4	-175.9	-172.3	-171.5	-178.7	-179.2	0	112.3	M151 Y198	K149-M151 PolarHBondContact O-N 2.9Å; K149-Y198 HydrophobicContact CB-CE1 4.1Å; K149-Y198 HydrophobicContact CB-CE2 4.2Å; K149-Y198 HydrophobicContact CD-CE2 4.11Å; K149-Y198 WeakPolarHBondContact CD-OH 3.37Å
150	G	93.3	Very high	95.2	Very high	58 Å²	58	33.2 Å²	33.2	60%	0.598	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.3	0.8	177.8	0	0	0	0	0	114.7	P148	P148-G150 PolarHBondContact O-N 3.49Å
151	M	95.9	Very high	95	Very high	82 Å²	82	38.6 Å²	38.6	40%	0.404	22%	0.219	S	C	.	.			trans	-102.7	158.8	175.4	-55.6	-170.1	-174.4	0	0	111.6	Y147 P148 K149 P158 Y184	Y147-M151 WeakPolarHBondContact CB-O 3.28Å; P148-M151 HydrophobicContact CB-CG 4.43Å; P148-M151 HydrophobicContact CB-SD 4.08Å; P148-M151 HydrophobicContact CG-SD 4.23Å; P148-M151 WeakPolarHBondContact O-CB 3.25Å; P148-M151 PolarHBondContact O-N 3.33Å; K149-M151 PolarHBondContact O-N 2.9Å; M151-P158 WeakPolarHBondContact O-CA 3.07Å; M151-Y184 HydrophobicContact SD-CD2 3.7Å; M151-Y184 HydrophobicContact SD-CE2 4.22Å; M151-Y184 HydrophobicContact SD-CG 3.95Å
152	S	94.6	Very high	94.8	Very high	43 Å²	43	39.1 Å²	39.1	30%	0.301	22%	0.221	S	C	.	.			trans	-159.9	176.6	173.2	61.2	0	0	0	0	109.1
153	D	93.3	Very high	94.8	Very high	38 Å²	38	39.3 Å²	39.3	20%	0.203	22%	0.222	C	C	.	.			trans	-70.8	179.1	162.4	81.1	-32.3	0	0	0	111.4	H80 N155 G156	H80-D153 IonicContact CE1-OD1 3.66Å; H80-D153 IonicContact CE1-OD2 3.28Å; H80-D153 IonicContact NE2-OD1 3.51Å; H80-D153 PolarHBondContact NE2-OD1 2.83Å; D153-N155 PolarHBondContact O-N 3.5Å; D153-N155 PolarHBondContact OD1-N 2.78Å; D153-N155 PolarHBondContact OD2-N 3Å; D153-N155 PolarHBondContact OD2-ND2 2.84Å; D153-G156 PolarHBondContact O-N 3.14Å; D153-G156 WeakPolarHBondContact OD1-CA 3.28Å; D153-G156 PolarHBondContact OD1-N 3.42Å
154	D	90.1	Very high	94.8	Very high	133 Å²	133	42.8 Å²	42.8	71%	0.711	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-20.2	179.9	-82.7	3	0	0	0	114.2	R84	R84-D154 IonicContact CZ-OD2 3.97Å; R84-D154 IonicContact NH2-OD2 2.92Å; R84-D154 PolarHBondContact NH2-OD2 2.93Å
155	N	88.1	Confident	94.7	Very high	33 Å²	33	44.5 Å²	44.5	18%	0.176	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-5.1	-173.8	-52.4	-90	0	0	0	113.2	T79 H83 D153	T79-N155 WeakPolarHBondContact CG2-O 3.38Å; H83-N155 PolarHBondContact CD2-ND2 3.02Å; H83-N155 PolarHBondContact NE2-ND2 3.21Å; D153-N155 PolarHBondContact O-N 3.5Å; D153-N155 PolarHBondContact OD1-N 2.78Å; D153-N155 PolarHBondContact OD2-N 3Å; D153-N155 PolarHBondContact OD2-ND2 2.84Å
156	G	89.1	Confident	94.7	Very high	18 Å²	18	44.4 Å²	44.4	19%	0.186	25%	0.248	C	C	.	.			trans	-103.5	-174.6	-168.2	0	0	0	0	0	114.1	T79 H80 D153	T79-G156 VanDerWaalsContact CG2-CA 3.41Å; H80-G156 WeakPolarHBondContact NE2-CA 3.05Å; D153-G156 PolarHBondContact O-N 3.14Å; D153-G156 WeakPolarHBondContact OD1-CA 3.28Å; D153-G156 PolarHBondContact OD1-N 3.42Å
157	K	91.1	Very high	94.7	Very high	67 Å²	67	44.2 Å²	44.2	29%	0.291	25%	0.247	S	C	.	.			trans	-129	160.1	167.2	-68	174.3	-176.5	167.8	0	107.6	D62 N77 T79 V159	D62-K157 IonicContact OD2-NZ 3.98Å; D62-K157 PolarHBondContact OD2-NZ 3.05Å; N77-K157 PolarHBondContact OD1-NZ 3.18Å; T79-K157 HydrophobicContact CG2-CG 4.08Å; T79-K157 VanDerWaalsContact OG1-CE 3.24Å; T79-K157 WeakPolarHBondContact OG1-CE 3.48Å; K157-V159 PolarHBondContact O-N 3.23Å
158	P	93.7	Very high	94.8	Very high	52 Å²	52	47.4 Å²	47.4	34%	0.338	27%	0.265	S	S	.	.			trans	-54.5	129	176.4	-28	36.1	0	0	0	112.8	M151	M151-P158 WeakPolarHBondContact O-CA 3.07Å
159	V	94	Very high	94.9	Very high	7 Å²	7	47.6 Å²	47.6	4%	0.042	27%	0.266	C	S	.	.			trans	-102.3	-7.4	-178	-63.7	0	0	0	0	113.2	W60 Y147 K157 D161 M162	W60-V159 HydrophobicContact CB-CG1 4.03Å; Y147-V159 HydrophobicContact CD2-CG2 4.3Å; K157-V159 PolarHBondContact O-N 3.23Å; V159-D161 VanDerWaalsContact C-N 3.3Å; V159-D161 PolarHBondContact O-N 2.97Å; V159-M162 VanDerWaalsContact O-CB 3.25Å; V159-M162 WeakPolarHBondContact O-CB 3.26Å; V159-M162 PolarHBondContact O-N 3.09Å
160	D	97	Very high	95.1	Very high	2 Å²	2	41 Å²	41	1%	0.011	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-55.8	-40.3	-175.5	-176.3	52.9	0	0	0	113.6	W146 M162 I163 Y198 Y204	W146-D160 PolarHBondContact NE1-OD1 2.74Å; D160-M162 PolarHBondContact O-N 3.24Å; D160-M162 VanDerWaalsContact O-N 3.09Å; D160-I163 WeakPolarHBondContact O-CG1 3.29Å; D160-I163 PolarHBondContact O-N 3.35Å; D160-I163 VanDerWaalsContact O-N 3.15Å; D160-Y198 PolarHBondContact OD2-OH 3.25Å; D160-Y204 PolarHBondContact O-OH 2.78Å; D160-Y204 VanDerWaalsContact OD1-CE2 3.24Å; D160-Y204 WeakPolarHBondContact OD1-CE2 3.26Å; D160-Y204 PolarHBondContact OD1-OH 2.84Å; D160-Y204 PolarHBondContact OD2-OH 3.2Å
161	D	94.4	Very high	95.3	Very high	114 Å²	114	41.2 Å²	41.2	61%	0.61	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-67.2	-10.2	178.7	-68	-30.5	0	0	0	113.5	V159 P165	V159-D161 VanDerWaalsContact C-N 3.3Å; V159-D161 PolarHBondContact O-N 2.97Å; D161-P165 VanDerWaalsContact O-CD 3.3Å; D161-P165 WeakPolarHBondContact O-CD 3.3Å
162	M	95.2	Very high	95.3	Very high	11 Å²	11	43.5 Å²	43.5	5%	0.054	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-85	-15.2	175.7	-68.1	-54.1	-52.4	0	0	113.9	S121 K122 I127 V159 D160 F164 P165 L166	S121-M162 WeakPolarHBondContact O-CE 3.39Å; K122-M162 HydrophobicContact CB-CE 4.28Å; K122-M162 HydrophobicContact CB-SD 3.77Å; K122-M162 HydrophobicContact CD-SD 3.97Å; K122-M162 HydrophobicContact CG-CE 4.42Å; K122-M162 HydrophobicContact CG-CG 4.24Å; K122-M162 HydrophobicContact CG-SD 3.51Å; K122-M162 VanDerWaalsContact CG-SD 3.51Å; I127-M162 HydrophobicContact CD1-CE 3.59Å; V159-M162 VanDerWaalsContact O-CB 3.25Å; V159-M162 WeakPolarHBondContact O-CB 3.26Å; V159-M162 PolarHBondContact O-N 3.09Å; D160-M162 PolarHBondContact O-N 3.24Å; D160-M162 VanDerWaalsContact O-N 3.09Å; M162-F164 PolarHBondContact O-N 3.06Å; M162-P165 HydrophobicContact CE-CB 4.07Å; M162-P165 HydrophobicContact CE-CG 4.44Å; M162-P165 WeakPolarHBondContact O-CD 3.23Å; M162-L166 HydrophobicContact CB-CD1 4.31Å; M162-L166 WeakPolarHBondContact O-CB 3.46Å; M162-L166 VanDerWaalsContact O-CG 3.26Å; M162-L166 WeakPolarHBondContact O-CG 3.24Å; M162-L166 PolarHBondContact O-N 3.27Å
163	I	98.5	Very high	95.4	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.015	22%	0.221	C	C	.	.	H	α-helix	trans	-63.5	-44.3	-173.6	-63.2	-52	0	0	0	112	V144 W146 D160 L166 L167 L179 Y204	V144-I163 HydrophobicContact CG1-CD1 4.01Å; W146-I163 HydrophobicContact CG-CD1 4.48Å; D160-I163 WeakPolarHBondContact O-CG1 3.29Å; D160-I163 PolarHBondContact O-N 3.35Å; D160-I163 VanDerWaalsContact O-N 3.15Å; I163-L166 PolarHBondContact O-N 3.15Å; I163-L167 HydrophobicContact CG2-CD1 3.67Å; I163-L167 HydrophobicContact CG2-CG 4.28Å; I163-L167 WeakPolarHBondContact O-CB 3.37Å; I163-L167 VanDerWaalsContact O-CG 3.28Å; I163-L167 WeakPolarHBondContact O-CG 3.31Å; I163-L167 PolarHBondContact O-N 3.38Å; I163-L179 HydrophobicContact CD1-CD2 3.59Å; I163-L179 HydrophobicContact CG1-CD2 4.21Å; I163-L179 HydrophobicContact CG2-CD2 4.35Å; I163-Y204 HydrophobicContact CB-CD1 4.43Å; I163-Y204 HydrophobicContact CB-CD2 4.33Å; I163-Y204 HydrophobicContact CB-CE1 4.16Å; I163-Y204 HydrophobicContact CB-CE2 4.05Å; I163-Y204 HydrophobicContact CG1-CE2 4.22Å; I163-Y204 HydrophobicContact CG2-CD1 3.8Å; I163-Y204 HydrophobicContact CG2-CD2 3.71Å; I163-Y204 HydrophobicContact CG2-CE1 4.04Å; I163-Y204 HydrophobicContact CG2-CE2 3.95Å; I163-Y204 HydrophobicContact CG2-CG 3.64Å
164	F	98.4	Very high	95.5	Very high	74 Å²	74	44.2 Å²	44.2	33%	0.325	23%	0.231	S	C	.	.	H	α-helix	trans	-66	-48.3	176	-87.5	-56.2	0	0	0	113.8	M162 L166 L167 N168 K202 Y204	M162-F164 PolarHBondContact O-N 3.06Å; F164-L166 VanDerWaalsContact C-N 3.28Å; F164-L166 PolarHBondContact O-N 2.87Å; F164-L167 HydrophobicContact CD1-CD1 4.47Å; F164-L167 PolarHBondContact O-N 2.87Å; F164-N168 VanDerWaalsContact O-CB 3.29Å; F164-N168 WeakPolarHBondContact O-CB 3.4Å; F164-N168 PolarHBondContact O-N 3.32Å; F164-N168 PolarHBondContact O-ND2 2.95Å; F164-K202 WeakPolarHBondContact CZ-O 3.33Å; F164-Y204 HydrophobicContact CD2-CD1 4.1Å; F164-Y204 AromaticContact CD2-CE1 3.62Å; F164-Y204 HydrophobicContact CD2-CE1 3.62Å; F164-Y204 HydrophobicContact CE1-CD1 4.2Å; F164-Y204 AromaticContact CE2-CD1 3.75Å; F164-Y204 HydrophobicContact CE2-CD1 3.75Å; F164-Y204 AromaticContact CE2-CE1 3.47Å; F164-Y204 HydrophobicContact CE2-CE1 3.47Å; F164-Y204 VanDerWaalsContact CE2-CE1 3.47Å; F164-Y204 HydrophobicContact CG-CD1 4.48Å; F164-Y204 HydrophobicContact CG-CE1 4.29Å; F164-Y204 AromaticContact CZ-CD1 3.8Å; F164-Y204 HydrophobicContact CZ-CD1 3.8Å; F164-Y204 HydrophobicContact CZ-CE1 4.03Å
165	P	98	Very high	95.9	Very high	35 Å²	35	37.9 Å²	37.9	23%	0.227	20%	0.198	C	C	.	.	H	α-helix	trans	-51.1	-45.2	171.6	-30.5	34.7	0	0	0	113.6	L124 I127 D161 M162 I169	L124-P165 HydrophobicContact CD2-CB 4Å; I127-P165 HydrophobicContact CD1-CB 4.42Å; D161-P165 VanDerWaalsContact O-CD 3.3Å; D161-P165 WeakPolarHBondContact O-CD 3.3Å; M162-P165 HydrophobicContact CE-CB 4.07Å; M162-P165 HydrophobicContact CE-CG 4.44Å; M162-P165 WeakPolarHBondContact O-CD 3.23Å; P165-I169 WeakPolarHBondContact O-CG1 3.27Å; P165-I169 PolarHBondContact O-N 3.28Å; P165-I169 VanDerWaalsContact O-N 3.1Å
166	L	98.7	Very high	96.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.6	-50.4	177	-71.1	168.4	0	0	0	111.8	Y57 A59 I127 M131 V144 M162 I163 F164 N168 I169 A170 I177	Y57-L166 HydrophobicContact CE1-CD1 4.35Å; Y57-L166 HydrophobicContact CE1-CD2 3.79Å; A59-L166 HydrophobicContact CB-CD1 3.88Å; I127-L166 HydrophobicContact CD1-CD2 4.05Å; I127-L166 HydrophobicContact CG1-CD2 4.12Å; I127-L166 HydrophobicContact CG2-CD2 3.82Å; M131-L166 HydrophobicContact CE-CD2 4.28Å; V144-L166 HydrophobicContact CG1-CD1 3.96Å; V144-L166 HydrophobicContact CG2-CD1 4.5Å; M162-L166 HydrophobicContact CB-CD1 4.31Å; M162-L166 WeakPolarHBondContact O-CB 3.46Å; M162-L166 VanDerWaalsContact O-CG 3.26Å; M162-L166 WeakPolarHBondContact O-CG 3.24Å; M162-L166 PolarHBondContact O-N 3.27Å; I163-L166 PolarHBondContact O-N 3.15Å; F164-L166 VanDerWaalsContact C-N 3.28Å; F164-L166 PolarHBondContact O-N 2.87Å; L166-N168 PolarHBondContact O-N 2.83Å; L166-I169 PolarHBondContact O-N 2.91Å; L166-A170 WeakPolarHBondContact O-CB 3.47Å; L166-A170 PolarHBondContact O-N 3.44Å; L166-I177 HydrophobicContact CB-CD1 3.71Å
167	L	98.8	Very high	96.9	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58.2	-45.4	178.2	-79.9	168.5	0	0	0	112.2	I163 F164 N171 I177 H207 A209 Y210	I163-L167 HydrophobicContact CG2-CD1 3.67Å; I163-L167 HydrophobicContact CG2-CG 4.28Å; I163-L167 WeakPolarHBondContact O-CB 3.37Å; I163-L167 VanDerWaalsContact O-CG 3.28Å; I163-L167 WeakPolarHBondContact O-CG 3.31Å; I163-L167 PolarHBondContact O-N 3.38Å; F164-L167 HydrophobicContact CD1-CD1 4.47Å; F164-L167 PolarHBondContact O-N 2.87Å; L167-N171 WeakPolarHBondContact O-CB 3.3Å; L167-N171 PolarHBondContact O-N 2.88Å; L167-I177 HydrophobicContact CD2-CB 3.87Å; L167-I177 HydrophobicContact CD2-CD1 4.42Å; L167-I177 HydrophobicContact CD2-CG2 4.35Å; L167-H207 HydrophobicContact CD1-CB 3.97Å; L167-H207 HydrophobicContact CD2-CB 4.31Å; L167-H207 PolarHBondContact O-CE1 2.74Å; L167-H207 VanDerWaalsContact O-CE1 3.29Å; L167-A209 HydrophobicContact CD2-CB 4.12Å; L167-A209 WeakPolarHBondContact O-CB 3.34Å; L167-Y210 HydrophobicContact CD2-CD2 4.17Å
168	N	98.7	Very high	97.3	Very high	82 Å²	82	34.9 Å²	34.9	44%	0.439	18%	0.178	S	C	.	.	H	α-helix	trans	-63.3	-42.8	-179.6	-75.7	-30.2	0	0	0	112	F164 L166 H207	F164-N168 VanDerWaalsContact O-CB 3.29Å; F164-N168 WeakPolarHBondContact O-CB 3.4Å; F164-N168 PolarHBondContact O-N 3.32Å; F164-N168 PolarHBondContact O-ND2 2.95Å; L166-N168 PolarHBondContact O-N 2.83Å; N168-H207 PolarHBondContact OD1-NE2 3.24Å
169	I	98.2	Very high	97.5	Very high	9 Å²	9	32.4 Å²	32.4	5%	0.046	16%	0.162	C	C	.	.	H	α-helix	trans	-74.9	-46.5	179.8	-64.3	172.7	0	0	0	109.9	L124 I127 M131 P165 L166 N171 K172 Y173	L124-I169 HydrophobicContact CB-CD1 4.19Å; L124-I169 HydrophobicContact CD2-CD1 4.05Å; I127-I169 HydrophobicContact CB-CD1 3.78Å; I127-I169 HydrophobicContact CD1-CD1 4.32Å; I127-I169 HydrophobicContact CG2-CB 3.87Å; I127-I169 HydrophobicContact CG2-CD1 3.66Å; I127-I169 HydrophobicContact CG2-CG1 4.34Å; I127-I169 HydrophobicContact CG2-CG2 3.88Å; M131-I169 HydrophobicContact CG-CG2 3.91Å; P165-I169 WeakPolarHBondContact O-CG1 3.27Å; P165-I169 PolarHBondContact O-N 3.28Å; P165-I169 VanDerWaalsContact O-N 3.1Å; L166-I169 PolarHBondContact O-N 2.91Å; I169-N171 PolarHBondContact O-N 2.92Å; I169-K172 VanDerWaalsContact O-CB 3.32Å; I169-K172 WeakPolarHBondContact O-CB 3.49Å; I169-K172 PolarHBondContact O-N 3.19Å; I169-Y173 HydrophobicContact CG2-CD2 4.18Å; I169-Y173 HydrophobicContact CG2-CE2 3.83Å; I169-Y173 VanDerWaalsContact O-CD2 3.29Å; I169-Y173 WeakPolarHBondContact O-CD2 3.5Å
170	A	98.4	Very high	97.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-54.7	-37.8	177.2	0	0	0	0	0	112.6	M131 L166 K172 Y173 D174 I175 I177	M131-A170 HydrophobicContact CE-CB 4.17Å; M131-A170 HydrophobicContact SD-CB 3.93Å; L166-A170 WeakPolarHBondContact O-CB 3.47Å; L166-A170 PolarHBondContact O-N 3.44Å; A170-K172 PolarHBondContact O-N 3.31Å; A170-Y173 CarbonylContact O-C 3.58Å; A170-Y173 PolarHBondContact O-N 3.05Å; A170-D174 PolarHBondContact O-N 3.02Å; A170-I175 CarbonylContact C-O 3.52Å; A170-I175 HydrophobicContact CB-CB 4.14Å; A170-I175 HydrophobicContact CB-CG2 4.25Å; A170-I175 PolarHBondContact O-N 2.81Å; A170-I177 HydrophobicContact CB-CD1 3.74Å; A170-I177 HydrophobicContact CB-CG1 3.98Å
171	N	97.6	Very high	97.8	Very high	63 Å²	63	32.1 Å²	32.1	34%	0.337	16%	0.16	S	C	.	.	H	α-helix	trans	-57.6	-33.6	175.1	-162.7	56.7	0	0	0	113.5	L167 I169 Y173 D174 A209	L167-N171 WeakPolarHBondContact O-CB 3.3Å; L167-N171 PolarHBondContact O-N 2.88Å; I169-N171 PolarHBondContact O-N 2.92Å; N171-Y173 PolarHBondContact O-N 3.24Å; N171-D174 PolarHBondContact O-N 3.06Å; N171-A209 HydrophobicContact CB-CB 3.78Å
172	K	96.3	Very high	98	Very high	129 Å²	129	27.1 Å²	27.1	56%	0.561	13%	0.133	S	C	*	.	H	α-helix	trans	-70.5	-18.8	178.2	-59.4	175.1	-176.8	177.4	0	112.8	I169 A170	I169-K172 VanDerWaalsContact O-CB 3.32Å; I169-K172 WeakPolarHBondContact O-CB 3.49Å; I169-K172 PolarHBondContact O-N 3.19Å; A170-K172 PolarHBondContact O-N 3.31Å
173	Y	95.8	Very high	98	Very high	20 Å²	20	28.7 Å²	28.7	8%	0.078	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	9.8	-178.1	-65.8	-87.7	0	0	0	112.9	H128 M131 E132 R135 I169 A170 N171 I175	H128-Y173 AromaticContact CE1-CE2 4Å; H128-Y173 AromaticContact ND1-CE2 3.41Å; H128-Y173 WeakPolarHBondContact ND1-CE2 3.04Å; H128-Y173 AromaticContact ND1-CZ 3.59Å; H128-Y173 PolarHBondContact ND1-OH 2.94Å; M131-Y173 HydrophobicContact CB-CD1 4.24Å; M131-Y173 HydrophobicContact CB-CD2 3.34Å; M131-Y173 HydrophobicContact CB-CE2 3.7Å; M131-Y173 HydrophobicContact CB-CG 3.65Å; M131-Y173 HydrophobicContact CG-CD2 3.96Å; M131-Y173 HydrophobicContact CG-CE2 4.37Å; E132-Y173 HydrophobicContact CG-CD1 4.4Å; E132-Y173 HydrophobicContact CG-CE1 3.48Å; E132-Y173 VanDerWaalsContact CG-CE1 3.48Å; R135-Y173 PolarHBondContact NH1-O 3.44Å; I169-Y173 HydrophobicContact CG2-CD2 4.18Å; I169-Y173 HydrophobicContact CG2-CE2 3.83Å; I169-Y173 VanDerWaalsContact O-CD2 3.29Å; I169-Y173 WeakPolarHBondContact O-CD2 3.5Å; A170-Y173 CarbonylContact O-C 3.58Å; A170-Y173 PolarHBondContact O-N 3.05Å; N171-Y173 PolarHBondContact O-N 3.24Å; Y173-I175 PolarHBondContact O-N 3.5Å
174	D	95.9	Very high	97.9	Very high	77 Å²	77	29.8 Å²	29.8	41%	0.412	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	21.3	-173.9	-58.2	-52.5	0	0	0	114.5	L49 Y51 A170 N171	L49-D174 HydrophobicContact CD1-CB 4.26Å; L49-D174 WeakPolarHBondContact CD1-O 3.27Å; Y51-D174 WeakPolarHBondContact CE1-O 3.42Å; Y51-D174 PolarHBondContact OH-O 3.27Å; A170-D174 PolarHBondContact O-N 3.02Å; N171-D174 PolarHBondContact O-N 3.06Å
175	I	98.2	Very high	97.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.169	C	C	.	.			trans	-87.1	138.2	176.5	-67.3	162.5	0	0	0	108.8	L49 M131 I134 R135 L142 A170 Y173	L49-I175 HydrophobicContact CD1-CG1 4.02Å; M131-I175 HydrophobicContact CB-CD1 4.04Å; M131-I175 HydrophobicContact CG-CD1 4.44Å; M131-I175 WeakPolarHBondContact O-CD1 3.46Å; M131-I175 HydrophobicContact SD-CB 4.45Å; M131-I175 HydrophobicContact SD-CD1 3.77Å; M131-I175 HydrophobicContact SD-CG2 4.28Å; I134-I175 HydrophobicContact CB-CD1 3.98Å; I134-I175 HydrophobicContact CG2-CD1 3.62Å; I134-I175 HydrophobicContact CG2-CG1 4.27Å; I134-I175 HydrophobicContact CG2-CG2 4.46Å; R135-I175 HydrophobicContact CB-CD1 4.32Å; L142-I175 HydrophobicContact CD1-CG2 4.31Å; L142-I175 HydrophobicContact CG-CG2 4.02Å; A170-I175 CarbonylContact C-O 3.52Å; A170-I175 HydrophobicContact CB-CB 4.14Å; A170-I175 HydrophobicContact CB-CG2 4.25Å; A170-I175 PolarHBondContact O-N 2.81Å; Y173-I175 PolarHBondContact O-N 3.5Å
176	K	98.7	Very high	97.4	Very high	53 Å²	53	39.1 Å²	39.1	23%	0.23	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	155.8	173.2	-55.1	-58.2	-177.1	-172.1	0	111.4	Y51 G140 V141 L142 P208 A209 Y211	Y51-K176 HydrophobicContact CD1-CG 3.91Å; Y51-K176 HydrophobicContact CE1-CG 3.66Å; G140-K176 PolarHBondContact O-N 2.88Å; V141-K176 CarbonylContact C-O 3.35Å; V141-K176 VanDerWaalsContact CA-O 3.32Å; V141-K176 WeakPolarHBondContact CA-O 3.4Å; V141-K176 HydrophobicContact CG2-CB 4.35Å; L142-K176 PolarHBondContact N-O 3.44Å; K176-P208 PolarHBondContact NZ-O 2.83Å; K176-A209 CarbonylContact C-O 3.59Å; K176-A209 WeakPolarHBondContact CA-O 3.33Å; K176-Y211 HydrophobicContact CB-CD2 3.85Å; K176-Y211 HydrophobicContact CB-CG 4.24Å; K176-Y211 HydrophobicContact CG-CD2 4.12Å
177	I	98.9	Very high	97.2	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	131.8	177.9	-65.4	-175.5	0	0	0	109.3	L142 V144 L166 L167 A170 A209 Y210 Y211	L142-I177 HydrophobicContact CB-CG1 4.35Å; L142-I177 WeakPolarHBondContact O-CA 3.34Å; V144-I177 HydrophobicContact CB-CG2 4.22Å; V144-I177 HydrophobicContact CG2-CD1 4.44Å; V144-I177 HydrophobicContact CG2-CG2 3.63Å; L166-I177 HydrophobicContact CB-CD1 3.71Å; L167-I177 HydrophobicContact CD2-CB 3.87Å; L167-I177 HydrophobicContact CD2-CD1 4.42Å; L167-I177 HydrophobicContact CD2-CG2 4.35Å; A170-I177 HydrophobicContact CB-CD1 3.74Å; A170-I177 HydrophobicContact CB-CG1 3.98Å; I177-A209 PolarHBondContact N-O 3.41Å; I177-Y210 CarbonylContact O-C 3.49Å; I177-Y210 VanDerWaalsContact O-CA 3.32Å; I177-Y210 WeakPolarHBondContact O-CA 3.45Å; I177-Y211 PolarHBondContact O-N 3.22Å
178	C	98.8	Very high	97.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	164.3	159.1	51.3	0	0	0	0	109.9	L142 V144 V226	L142-C178 PolarHBondContact O-N 2.83Å; V144-C178 PolarHBondContact N-O 2.84Å; C178-V226 HydrophobicContact CB-CB 4.12Å; C178-V226 HydrophobicContact CB-CG1 4.27Å; C178-V226 WeakPolarHBondContact CB-O 3.11Å
179	L	98.9	Very high	96.8	Very high	1 Å²	1	40 Å²	40	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	141.1	178.7	-57.7	178.5	0	0	0	110.8	W146 I163 I199 Y204 Y210 Y228	W146-L179 HydrophobicContact CB-CB 4.2Å; W146-L179 HydrophobicContact CB-CD2 3.99Å; W146-L179 HydrophobicContact CB-CG 4.46Å; W146-L179 HydrophobicContact CD2-CD1 3.92Å; W146-L179 HydrophobicContact CE3-CD1 4.27Å; W146-L179 HydrophobicContact CG-CD1 4.06Å; W146-L179 HydrophobicContact CG-CD2 4.04Å; W146-L179 HydrophobicContact CG-CG 4.43Å; I163-L179 HydrophobicContact CD1-CD2 3.59Å; I163-L179 HydrophobicContact CG1-CD2 4.21Å; I163-L179 HydrophobicContact CG2-CD2 4.35Å; L179-I199 HydrophobicContact CD1-CB 4.24Å; L179-I199 HydrophobicContact CD1-CD1 4.07Å; L179-I199 HydrophobicContact CD1-CG2 3.69Å; L179-Y204 HydrophobicContact CD1-CD2 4.41Å; L179-Y210 HydrophobicContact CD1-CE2 4.44Å; L179-Y210 HydrophobicContact CG-CE2 4.07Å; L179-Y228 PolarHBondContact O-N 2.92Å
180	H	98.8	Very high	96.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	100.5	165.7	-164.6	-165.7	0	0	0	107.7	F56 V143 V144 W146 E182 Y228 Y230 Y284	F56-H180 AromaticContact CD1-CE1 3.88Å; F56-H180 AromaticContact CD1-ND1 3.59Å; F56-H180 AromaticContact CE1-CE1 3.57Å; F56-H180 AromaticContact CE1-ND1 3.61Å; V143-H180 HydrophobicContact CG1-CB 3.73Å; V144-H180 PolarHBondContact O-N 3.45Å; W146-H180 PolarHBondContact N-O 3.27Å; H180-E182 PolarHBondContact O-N 3.5Å; H180-E182 VanDerWaalsContact O-N 3.13Å; H180-Y228 CarbonylContact C-O 3.32Å; H180-Y228 WeakPolarHBondContact CA-O 3.16Å; H180-Y230 AromaticContact CE1-CD2 3.6Å; H180-Y230 AromaticContact CE1-CG 3.8Å; H180-Y230 VanDerWaalsContact NE2-CB 3.27Å; H180-Y230 WeakPolarHBondContact NE2-CB 3.49Å; H180-Y230 AromaticContact NE2-CD2 3.54Å; H180-Y230 AromaticContact NE2-CG 3.71Å; H180-Y284 AromaticContact NE2-CE2 3.9Å; H180-Y284 AromaticContact NE2-CZ 3.6Å; H180-Y284 PolarHBondContact NE2-OH 3Å
181	L	98.6	Very high	96.5	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.016	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	105.6	-178.1	179.2	53.3	0	0	0	110.3	W146 P148 Y184 R187 I192 V227 Y228 V229 Y230	W146-L181 HydrophobicContact CE3-CD1 3.67Å; W146-L181 HydrophobicContact CZ3-CD1 3.61Å; P148-L181 HydrophobicContact CG-CD1 4.46Å; L181-Y184 HydrophobicContact CD1-CE1 4.12Å; L181-R187 PolarHBondContact O-NH1 3.32Å; L181-R187 VanDerWaalsContact O-NH1 3.14Å; L181-I192 HydrophobicContact CD2-CD1 3.42Å; L181-I192 VanDerWaalsContact CD2-CD1 3.42Å; L181-I192 HydrophobicContact CG-CD1 4.39Å; L181-V227 HydrophobicContact CB-CG1 4.36Å; L181-Y228 PolarHBondContact N-O 3.2Å; L181-V229 HydrophobicContact CB-CG2 4.48Å; L181-Y230 PolarHBondContact O-N 3.05Å
182	E	98	Very high	96.5	Very high	9 Å²	9	41.8 Å²	41.8	4%	0.042	21%	0.211	C	C	.	.			trans	-70.7	158.2	-178.6	-68.4	-67	170.7	0	0	112.4	S145 W146 Y147 H180 Y184 R187 Y230	S145-E182 WeakPolarHBondContact CB-OE1 3.32Å; S145-E182 VanDerWaalsContact OG-CD 3.29Å; S145-E182 VanDerWaalsContact OG-CG 3.23Å; S145-E182 WeakPolarHBondContact OG-CG 3.38Å; S145-E182 PolarHBondContact OG-OE1 3.34Å; W146-E182 PolarHBondContact O-N 2.89Å; Y147-E182 HydrophobicContact CD1-CB 3.95Å; Y147-E182 HydrophobicContact CD2-CB 4.17Å; Y147-E182 HydrophobicContact CD2-CG 4.14Å; Y147-E182 HydrophobicContact CE1-CB 3.48Å; Y147-E182 VanDerWaalsContact CE1-CB 3.48Å; Y147-E182 HydrophobicContact CE1-CG 4.31Å; Y147-E182 HydrophobicContact CE2-CB 3.73Å; Y147-E182 HydrophobicContact CE2-CG 3.61Å; Y147-E182 HydrophobicContact CG-CB 4.26Å; H180-E182 PolarHBondContact O-N 3.5Å; H180-E182 VanDerWaalsContact O-N 3.13Å; E182-Y184 WeakPolarHBondContact O-CD1 3.19Å; E182-R187 PolarHBondContact O-NH1 2.98Å; E182-Y230 WeakPolarHBondContact OE2-CD1 3.48Å
183	P	96.3	Very high	96.5	Very high	44 Å²	44	36.3 Å²	36.3	29%	0.286	19%	0.188	S	C	.	.			trans	-71.3	133.5	169.5	30.5	-33.2	0	0	0	110.3	Y147 R187 Y230 D231	Y147-P183 WeakPolarHBondContact CE1-O 3.43Å; P183-R187 VanDerWaalsContact CA-CZ 3.47Å; P183-Y230 HydrophobicContact CG-CD1 4.23Å; P183-D231 HydrophobicContact CB-CB 4.3Å; P183-D231 HydrophobicContact CG-CB 4.36Å
184	Y	95.9	Very high	96.6	Very high	25 Å²	25	38.4 Å²	38.4	10%	0.098	21%	0.205	C	C	.	.			trans	-134.3	162.9	172.6	58	-94.4	0	0	0	110.3	P148 M151 L181 E182 N186 R187 T191 D195	P148-Y184 HydrophobicContact CG-CD1 3.98Å; P148-Y184 HydrophobicContact CG-CE1 3.62Å; M151-Y184 HydrophobicContact SD-CD2 3.7Å; M151-Y184 HydrophobicContact SD-CE2 4.22Å; M151-Y184 HydrophobicContact SD-CG 3.95Å; L181-Y184 HydrophobicContact CD1-CE1 4.12Å; E182-Y184 WeakPolarHBondContact O-CD1 3.19Å; Y184-N186 PolarHBondContact O-N 3.04Å; Y184-R187 HydrophobicContact CD1-CB 4.27Å; Y184-R187 HydrophobicContact CD1-CG 4.34Å; Y184-R187 HydrophobicContact CD2-CB 3.88Å; Y184-R187 HydrophobicContact CE1-CB 3.98Å; Y184-R187 VanDerWaalsContact CE1-CD 3.47Å; Y184-R187 HydrophobicContact CE1-CG 3.7Å; Y184-R187 HydrophobicContact CE2-CB 3.56Å; Y184-R187 HydrophobicContact CE2-CG 4.02Å; Y184-R187 HydrophobicContact CG-CB 4.2Å; Y184-R187 VanDerWaalsContact CZ-CG 3.49Å; Y184-R187 VanDerWaalsContact O-CB 3.32Å; Y184-R187 WeakPolarHBondContact O-CB 3.26Å; Y184-R187 PolarHBondContact O-N 2.89Å; Y184-R187 VanDerWaalsContact O-N 3.16Å; Y184-R187 WeakPolarHBondContact OH-CG 3.29Å; Y184-T191 VanDerWaalsContact OH-CB 3.27Å; Y184-T191 WeakPolarHBondContact OH-CB 3.48Å; Y184-T191 PolarHBondContact OH-OG1 2.88Å; Y184-T191 VanDerWaalsContact OH-OG1 3.1Å; Y184-D195 WeakPolarHBondContact CE1-OD2 3.44Å; Y184-D195 PolarHBondContact OH-OD2 3.24Å
185	K	92.8	Very high	96.7	Very high	178 Å²	178	35.5 Å²	35.5	77%	0.774	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	132	-177.5	-173.9	-179.2	179.3	179.7	0	110.7	R187	K185-R187 PolarHBondContact O-N 2.92Å
186	N	92.6	Very high	96.7	Very high	128 Å²	128	35.6 Å²	35.6	68%	0.684	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.3	22.1	-179.7	-47.2	-35.7	0	0	0	114.7	Y184 D188	Y184-N186 PolarHBondContact O-N 3.04Å; N186-D188 PolarHBondContact O-N 2.96Å
187	R	96.1	Very high	96.7	Very high	22 Å²	22	37.2 Å²	37.2	8%	0.083	20%	0.198	C	C	.	.			trans	-59.9	124.8	169.1	-174.8	171.8	75.2	163.9	6.5	110.4	L181 E182 P183 Y184 K185 I192 Y230 D231 T234 I235	L181-R187 PolarHBondContact O-NH1 3.32Å; L181-R187 VanDerWaalsContact O-NH1 3.14Å; E182-R187 PolarHBondContact O-NH1 2.98Å; P183-R187 VanDerWaalsContact CA-CZ 3.47Å; Y184-R187 HydrophobicContact CD1-CB 4.27Å; Y184-R187 HydrophobicContact CD1-CG 4.34Å; Y184-R187 HydrophobicContact CD2-CB 3.88Å; Y184-R187 HydrophobicContact CE1-CB 3.98Å; Y184-R187 VanDerWaalsContact CE1-CD 3.47Å; Y184-R187 HydrophobicContact CE1-CG 3.7Å; Y184-R187 HydrophobicContact CE2-CB 3.56Å; Y184-R187 HydrophobicContact CE2-CG 4.02Å; Y184-R187 HydrophobicContact CG-CB 4.2Å; Y184-R187 VanDerWaalsContact CZ-CG 3.49Å; Y184-R187 VanDerWaalsContact O-CB 3.32Å; Y184-R187 WeakPolarHBondContact O-CB 3.26Å; Y184-R187 PolarHBondContact O-N 2.89Å; Y184-R187 VanDerWaalsContact O-N 3.16Å; Y184-R187 WeakPolarHBondContact OH-CG 3.29Å; K185-R187 PolarHBondContact O-N 2.92Å; R187-I192 HydrophobicContact CG-CD1 3.77Å; R187-I192 HydrophobicContact CG-CG1 4.2Å; R187-Y230 VanDerWaalsContact CZ-O 3.27Å; R187-Y230 PolarHBondContact NH1-O 3.33Å; R187-Y230 PolarHBondContact NH2-O 3.44Å; R187-D231 PolarHBondContact NH2-O 2.99Å; R187-T234 PolarHBondContact NH2-OG1 3.12Å; R187-I235 HydrophobicContact CG-CD1 4.23Å
188	D	95.1	Very high	96.6	Very high	54 Å²	54	39.2 Å²	39.2	29%	0.289	21%	0.205	S	C	.	.			trans	-151.6	-176.4	-174.2	71.7	0	0	0	0	111.2	N186 S190 T191 I192	N186-D188 PolarHBondContact O-N 2.96Å; D188-S190 PolarHBondContact O-N 3.32Å; D188-S190 PolarHBondContact OD1-N 2.96Å; D188-T191 PolarHBondContact N-OG1 2.77Å; D188-T191 PolarHBondContact O-N 3.22Å; D188-T191 PolarHBondContact O-OG1 3.02Å; D188-T191 VanDerWaalsContact O-OG1 3.12Å; D188-T191 WeakPolarHBondContact OD1-CB 3.37Å; D188-T191 WeakPolarHBondContact OD1-CG2 3.44Å; D188-T191 PolarHBondContact OD1-N 3.2Å; D188-T191 PolarHBondContact OD1-OG1 2.86Å; D188-I192 WeakPolarHBondContact O-CB 3.36Å; D188-I192 WeakPolarHBondContact O-CG1 2.98Å; D188-I192 PolarHBondContact O-N 3.48Å
189	D	93	Very high	96.6	Very high	23 Å²	23	39.3 Å²	39.3	12%	0.123	21%	0.206	C	C	.	.	H	α-helix	trans	-59.4	-40.3	-178.8	41.1	-23.4	0	0	0	114.1	V193 K239 I243	D189-V193 VanDerWaalsContact O-CG2 3.26Å; D189-V193 WeakPolarHBondContact O-CG2 3.35Å; D189-V193 PolarHBondContact O-N 3.33Å; D189-K239 HydrophobicContact CB-CB 4.14Å; D189-K239 IonicContact OD1-NZ 3.83Å; D189-I243 HydrophobicContact CB-CD1 3.65Å; D189-I243 HydrophobicContact CB-CG1 3.82Å
190	S	94.7	Very high	96.6	Very high	71 Å²	71	43.2 Å²	43.2	50%	0.497	22%	0.221	S	C	.	.	H	α-helix	trans	-70.1	-43	-179.9	-177.2	0	0	0	0	112.6	D188 V193 S194	D188-S190 PolarHBondContact O-N 3.32Å; D188-S190 PolarHBondContact OD1-N 2.96Å; S190-V193 PolarHBondContact O-N 3.28Å; S190-S194 PolarHBondContact O-N 3.03Å; S190-S194 PolarHBondContact O-OG 2.86Å
191	T	96.3	Very high	96.6	Very high	40 Å²	40	49.2 Å²	49.2	25%	0.245	25%	0.249	C	C	.	.	H	α-helix	trans	-70.3	-39.8	-179	52.6	0	0	0	0	111.6	Y184 D188 V193 S194 D195	Y184-T191 VanDerWaalsContact OH-CB 3.27Å; Y184-T191 WeakPolarHBondContact OH-CB 3.48Å; Y184-T191 PolarHBondContact OH-OG1 2.88Å; Y184-T191 VanDerWaalsContact OH-OG1 3.1Å; D188-T191 PolarHBondContact N-OG1 2.77Å; D188-T191 PolarHBondContact O-N 3.22Å; D188-T191 PolarHBondContact O-OG1 3.02Å; D188-T191 VanDerWaalsContact O-OG1 3.12Å; D188-T191 WeakPolarHBondContact OD1-CB 3.37Å; D188-T191 WeakPolarHBondContact OD1-CG2 3.44Å; D188-T191 PolarHBondContact OD1-N 3.2Å; D188-T191 PolarHBondContact OD1-OG1 2.86Å; T191-V193 VanDerWaalsContact C-N 3.33Å; T191-V193 PolarHBondContact O-N 3.27Å; T191-S194 CarbonylContact O-C 3.43Å; T191-S194 WeakPolarHBondContact O-CB 3.39Å; T191-S194 PolarHBondContact O-N 3.31Å; T191-S194 VanDerWaalsContact O-N 3.1Å; T191-D195 PolarHBondContact O-N 3.5Å
192	I	97.2	Very high	96.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-56.2	-46.6	172.8	-68.4	-66.8	0	0	0	111.4	L181 R187 D188 S194 D195 L196 I235 W240 I243	L181-I192 HydrophobicContact CD2-CD1 3.42Å; L181-I192 VanDerWaalsContact CD2-CD1 3.42Å; L181-I192 HydrophobicContact CG-CD1 4.39Å; R187-I192 HydrophobicContact CG-CD1 3.77Å; R187-I192 HydrophobicContact CG-CG1 4.2Å; D188-I192 WeakPolarHBondContact O-CB 3.36Å; D188-I192 WeakPolarHBondContact O-CG1 2.98Å; D188-I192 PolarHBondContact O-N 3.48Å; I192-S194 VanDerWaalsContact C-N 3.3Å; I192-S194 PolarHBondContact O-N 2.79Å; I192-D195 PolarHBondContact O-N 3.02Å; I192-L196 HydrophobicContact CG2-CD1 3.96Å; I192-L196 HydrophobicContact CG2-CG 4.44Å; I192-L196 VanDerWaalsContact O-CG 3.28Å; I192-L196 WeakPolarHBondContact O-CG 3.41Å; I192-L196 PolarHBondContact O-N 2.96Å; I192-I235 HydrophobicContact CD1-CD1 4.35Å; I192-I235 HydrophobicContact CG1-CD1 3.81Å; I192-W240 HydrophobicContact CD1-CH2 4.06Å; I192-W240 HydrophobicContact CG1-CH2 4.08Å; I192-W240 HydrophobicContact CG2-CH2 3.99Å; I192-W240 HydrophobicContact CG2-CZ3 3.83Å; I192-I243 HydrophobicContact CB-CD1 4.21Å; I192-I243 HydrophobicContact CG2-CD1 4.12Å; I192-I243 HydrophobicContact CG2-CG2 4.37Å
193	V	96.9	Very high	96.5	Very high	14 Å²	14	52.8 Å²	52.8	9%	0.085	27%	0.269	C	S	.	.	H	α-helix	trans	-61.5	-42.1	177.8	173.8	0	0	0	0	110.9	D189 S190 T191 D195 L196 K197 I243 T251 I253 Y258	D189-V193 VanDerWaalsContact O-CG2 3.26Å; D189-V193 WeakPolarHBondContact O-CG2 3.35Å; D189-V193 PolarHBondContact O-N 3.33Å; S190-V193 PolarHBondContact O-N 3.28Å; T191-V193 VanDerWaalsContact C-N 3.33Å; T191-V193 PolarHBondContact O-N 3.27Å; V193-D195 VanDerWaalsContact C-N 3.35Å; V193-L196 PolarHBondContact O-N 3.42Å; V193-K197 WeakPolarHBondContact O-CB 3.4Å; V193-K197 PolarHBondContact O-N 2.97Å; V193-I243 HydrophobicContact CG2-CG1 4.18Å; V193-I243 HydrophobicContact CG2-CG2 3.87Å; V193-T251 WeakPolarHBondContact CG2-O 3.27Å; V193-I253 HydrophobicContact CG1-CG2 4.41Å; V193-I253 HydrophobicContact CG2-CG2 4.08Å; V193-Y258 HydrophobicContact CG1-CE2 4.17Å
194	S	97.1	Very high	96.7	Very high	63 Å²	63	50.8 Å²	50.8	44%	0.441	26%	0.256	S	S	.	.	H	α-helix	trans	-63.9	-39.5	177.7	-59.1	0	0	0	0	112.2	S190 T191 I192 K197 Y198	S190-S194 PolarHBondContact O-N 3.03Å; S190-S194 PolarHBondContact O-OG 2.86Å; T191-S194 CarbonylContact O-C 3.43Å; T191-S194 WeakPolarHBondContact O-CB 3.39Å; T191-S194 PolarHBondContact O-N 3.31Å; T191-S194 VanDerWaalsContact O-N 3.1Å; I192-S194 VanDerWaalsContact C-N 3.3Å; I192-S194 PolarHBondContact O-N 2.79Å; S194-K197 PolarHBondContact O-N 3.06Å; S194-Y198 VanDerWaalsContact O-CB 3.31Å; S194-Y198 WeakPolarHBondContact O-CB 3.38Å; S194-Y198 PolarHBondContact O-N 3.39Å
195	D	97.9	Very high	96.8	Very high	16 Å²	16	50 Å²	50	9%	0.086	25%	0.254	C	S	.	.	H	α-helix	trans	-67.8	-44.5	177.9	-67.1	-17.7	0	0	0	111.8	W146 P148 Y184 T191 I192 V193 K197 Y198 I199	W146-D195 HydrophobicContact CH2-CB 4.23Å; W146-D195 HydrophobicContact CZ3-CB 4.22Å; P148-D195 WeakPolarHBondContact CB-OD1 3.42Å; P148-D195 HydrophobicContact CG-CB 4.48Å; P148-D195 VanDerWaalsContact CG-CG 3.4Å; P148-D195 WeakPolarHBondContact CG-OD1 3.47Å; P148-D195 WeakPolarHBondContact CG-OD2 3.26Å; Y184-D195 WeakPolarHBondContact CE1-OD2 3.44Å; Y184-D195 PolarHBondContact OH-OD2 3.24Å; T191-D195 PolarHBondContact O-N 3.5Å; I192-D195 PolarHBondContact O-N 3.02Å; V193-D195 VanDerWaalsContact C-N 3.35Å; D195-K197 VanDerWaalsContact C-N 3.33Å; D195-K197 PolarHBondContact O-N 3.41Å; D195-Y198 WeakPolarHBondContact O-CB 3.31Å; D195-Y198 PolarHBondContact O-N 2.92Å; D195-Y198 VanDerWaalsContact O-N 3.14Å; D195-I199 PolarHBondContact O-N 3.37Å
196	L	98.3	Very high	97	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.016	25%	0.248	C	C	.	.	H	α-helix	trans	-64.1	-40.5	177.1	-67.1	174.3	0	0	0	111.4	I192 V193 Y198 I199 Y200 V227 I253 V260	I192-L196 HydrophobicContact CG2-CD1 3.96Å; I192-L196 HydrophobicContact CG2-CG 4.44Å; I192-L196 VanDerWaalsContact O-CG 3.28Å; I192-L196 WeakPolarHBondContact O-CG 3.41Å; I192-L196 PolarHBondContact O-N 2.96Å; V193-L196 PolarHBondContact O-N 3.42Å; L196-Y198 VanDerWaalsContact C-N 3.35Å; L196-I199 HydrophobicContact CD2-CD1 4.17Å; L196-I199 VanDerWaalsContact O-CG1 3.25Å; L196-I199 WeakPolarHBondContact O-CG1 3.14Å; L196-Y200 PolarHBondContact O-N 3.26Å; L196-V227 HydrophobicContact CD2-CB 4.41Å; L196-V227 HydrophobicContact CD2-CG1 4.27Å; L196-V227 HydrophobicContact CD2-CG2 4.02Å; L196-I253 HydrophobicContact CD1-CD1 3.67Å; L196-I253 HydrophobicContact CD1-CG2 4.04Å; L196-V260 HydrophobicContact CD1-CG2 4.25Å; L196-V260 HydrophobicContact CD2-CG1 4.09Å; L196-V260 HydrophobicContact CD2-CG2 3.98Å
197	K	97.7	Very high	97.3	Very high	86 Å²	86	41 Å²	41	37%	0.374	22%	0.22	S	C	.	.	H	α-helix	trans	-62.3	-42.9	171.3	-177.9	175.4	172.9	-179.1	0	111.3	V193 S194 D195 Y200 E201 Y258	V193-K197 WeakPolarHBondContact O-CB 3.4Å; V193-K197 PolarHBondContact O-N 2.97Å; S194-K197 PolarHBondContact O-N 3.06Å; D195-K197 VanDerWaalsContact C-N 3.33Å; D195-K197 PolarHBondContact O-N 3.41Å; K197-Y200 WeakPolarHBondContact O-CB 3.46Å; K197-Y200 PolarHBondContact O-N 3.43Å; K197-E201 WeakPolarHBondContact CE-OE1 3.49Å; K197-E201 HydrophobicContact CG-CG 4.3Å; K197-E201 IonicContact NZ-OE1 3.55Å; K197-E201 WeakPolarHBondContact O-CG 3.47Å; K197-E201 PolarHBondContact O-N 3.28Å; K197-Y258 HydrophobicContact CB-CD1 4.15Å; K197-Y258 HydrophobicContact CB-CD2 4.2Å; K197-Y258 HydrophobicContact CB-CE1 4.28Å; K197-Y258 HydrophobicContact CB-CE2 4.33Å; K197-Y258 HydrophobicContact CB-CG 4.1Å; K197-Y258 HydrophobicContact CD-CE1 4.08Å; K197-Y258 HydrophobicContact CG-CD1 4Å; K197-Y258 HydrophobicContact CG-CE1 4.07Å; K197-Y258 HydrophobicContact CG-CG 4.42Å
198	Y	98.5	Very high	97.4	Very high	43 Å²	43	44.1 Å²	44.1	17%	0.169	24%	0.243	C	C	.	.	H	α-helix	trans	-60	-50.9	178.9	173.7	-98.9	0	0	0	112.4	W146 K149 D160 S194 D195 L196 Y200 E201 K202 Y204	W146-Y198 HydrophobicContact CH2-CD1 4.23Å; W146-Y198 AromaticContact CZ2-CD1 3.95Å; W146-Y198 HydrophobicContact CZ2-CD1 3.95Å; W146-Y198 HydrophobicContact CZ2-CE1 4.05Å; K149-Y198 HydrophobicContact CB-CE1 4.1Å; K149-Y198 HydrophobicContact CB-CE2 4.2Å; K149-Y198 HydrophobicContact CD-CE2 4.11Å; K149-Y198 WeakPolarHBondContact CD-OH 3.37Å; D160-Y198 PolarHBondContact OD2-OH 3.25Å; S194-Y198 VanDerWaalsContact O-CB 3.31Å; S194-Y198 WeakPolarHBondContact O-CB 3.38Å; S194-Y198 PolarHBondContact O-N 3.39Å; D195-Y198 WeakPolarHBondContact O-CB 3.31Å; D195-Y198 PolarHBondContact O-N 2.92Å; D195-Y198 VanDerWaalsContact O-N 3.14Å; L196-Y198 VanDerWaalsContact C-N 3.35Å; Y198-Y200 PolarHBondContact O-N 3.33Å; Y198-E201 PolarHBondContact O-N 3.43Å; Y198-K202 HydrophobicContact CD1-CG 4.1Å; Y198-K202 HydrophobicContact CD2-CG 3.95Å; Y198-K202 HydrophobicContact CE1-CD 4.34Å; Y198-K202 HydrophobicContact CE1-CG 3.69Å; Y198-K202 HydrophobicContact CE2-CD 3.67Å; Y198-K202 HydrophobicContact CE2-CG 3.51Å; Y198-K202 HydrophobicContact CG-CG 4.22Å; Y198-K202 WeakPolarHBondContact O-CB 3.46Å; Y198-K202 WeakPolarHBondContact O-CG 3.04Å; Y198-K202 PolarHBondContact O-N 3.12Å; Y198-K202 WeakPolarHBondContact OH-CD 3.37Å; Y198-K202 VanDerWaalsContact OH-CE 3.27Å; Y198-K202 WeakPolarHBondContact OH-CE 3.44Å; Y198-K202 PolarHBondContact OH-NZ 3.29Å; Y198-Y204 HydrophobicContact CE1-CE2 4.31Å
199	I	98.5	Very high	97.6	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-64.5	-28.7	-178.4	65	171.5	0	0	0	112.3	W146 L179 D195 L196 Y204 T205 V227	W146-I199 HydrophobicContact CH2-CG2 3.49Å; W146-I199 VanDerWaalsContact CH2-CG2 3.49Å; W146-I199 HydrophobicContact CZ2-CG2 3.53Å; W146-I199 HydrophobicContact CZ3-CG2 4.09Å; L179-I199 HydrophobicContact CD1-CB 4.24Å; L179-I199 HydrophobicContact CD1-CD1 4.07Å; L179-I199 HydrophobicContact CD1-CG2 3.69Å; D195-I199 PolarHBondContact O-N 3.37Å; L196-I199 HydrophobicContact CD2-CD1 4.17Å; L196-I199 VanDerWaalsContact O-CG1 3.25Å; L196-I199 WeakPolarHBondContact O-CG1 3.14Å; I199-Y204 HydrophobicContact CB-CD2 3.88Å; I199-Y204 HydrophobicContact CG2-CD2 3.91Å; I199-Y204 HydrophobicContact CG2-CE2 4.32Å; I199-Y204 WeakPolarHBondContact O-CB 3.39Å; I199-Y204 PolarHBondContact O-N 2.93Å; I199-Y204 VanDerWaalsContact O-N 3.08Å; I199-T205 HydrophobicContact CD1-CG2 3.89Å; I199-T205 HydrophobicContact CG1-CG2 3.96Å; I199-V227 HydrophobicContact CD1-CG2 3.87Å
200	Y	98.4	Very high	97.8	Very high	84 Å²	84	40.6 Å²	40.6	33%	0.329	23%	0.225	S	C	.	.	H	α-helix	trans	-70	-53.3	171.4	171.7	-91.2	0	0	0	111.6	L196 K197 Y198 K202 G203 I257	L196-Y200 PolarHBondContact O-N 3.26Å; K197-Y200 WeakPolarHBondContact O-CB 3.46Å; K197-Y200 PolarHBondContact O-N 3.43Å; Y198-Y200 PolarHBondContact O-N 3.33Å; Y200-K202 VanDerWaalsContact C-N 3.26Å; Y200-K202 PolarHBondContact O-N 2.84Å; Y200-G203 WeakPolarHBondContact O-CA 3.24Å; Y200-G203 PolarHBondContact O-N 3.29Å; Y200-I257 HydrophobicContact CD1-CD1 4.34Å; Y200-I257 HydrophobicContact CD1-CG1 4.23Å; Y200-I257 WeakPolarHBondContact CD2-O 3.19Å; Y200-I257 HydrophobicContact CE1-CB 4.2Å; Y200-I257 HydrophobicContact CE1-CD1 3.47Å; Y200-I257 VanDerWaalsContact CE1-CD1 3.47Å; Y200-I257 HydrophobicContact CE1-CG1 3.63Å; Y200-I257 HydrophobicContact CE2-CB 4.34Å; Y200-I257 WeakPolarHBondContact CE2-O 3.1Å
201	E	98.2	Very high	98	Very high	125 Å²	125	38.4 Å²	38.4	58%	0.584	21%	0.205	S	C	*	.	H	α-helix	trans	-63.5	-32.1	-178.3	-73.1	179.2	164.9	0	0	112.6	K197 Y198 G203	K197-E201 WeakPolarHBondContact CE-OE1 3.49Å; K197-E201 HydrophobicContact CG-CG 4.3Å; K197-E201 IonicContact NZ-OE1 3.55Å; K197-E201 WeakPolarHBondContact O-CG 3.47Å; K197-E201 PolarHBondContact O-N 3.28Å; Y198-E201 PolarHBondContact O-N 3.43Å; E201-G203 PolarHBondContact O-N 3.23Å
202	K	97.8	Very high	98.1	Very high	71 Å²	71	39.2 Å²	39.2	31%	0.309	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-19.3	172.5	-74.2	-73.6	-66.9	-159.2	0	113.4	F164 Y198 Y200 Y204	F164-K202 WeakPolarHBondContact CZ-O 3.33Å; Y198-K202 HydrophobicContact CD1-CG 4.1Å; Y198-K202 HydrophobicContact CD2-CG 3.95Å; Y198-K202 HydrophobicContact CE1-CD 4.34Å; Y198-K202 HydrophobicContact CE1-CG 3.69Å; Y198-K202 HydrophobicContact CE2-CD 3.67Å; Y198-K202 HydrophobicContact CE2-CG 3.51Å; Y198-K202 HydrophobicContact CG-CG 4.22Å; Y198-K202 WeakPolarHBondContact O-CB 3.46Å; Y198-K202 WeakPolarHBondContact O-CG 3.04Å; Y198-K202 PolarHBondContact O-N 3.12Å; Y198-K202 WeakPolarHBondContact OH-CD 3.37Å; Y198-K202 VanDerWaalsContact OH-CE 3.27Å; Y198-K202 WeakPolarHBondContact OH-CE 3.44Å; Y198-K202 PolarHBondContact OH-NZ 3.29Å; Y200-K202 VanDerWaalsContact C-N 3.26Å; Y200-K202 PolarHBondContact O-N 2.84Å; K202-Y204 HydrophobicContact CB-CD1 3.97Å; K202-Y204 HydrophobicContact CB-CD2 4.37Å; K202-Y204 HydrophobicContact CB-CE1 3.81Å; K202-Y204 HydrophobicContact CB-CE2 4.23Å; K202-Y204 HydrophobicContact CB-CG 4.24Å; K202-Y204 VanDerWaalsContact CE-OH 3.23Å; K202-Y204 WeakPolarHBondContact CE-OH 3.31Å
203	G	98.2	Very high	97.9	Very high	17 Å²	17	40.7 Å²	40.7	18%	0.175	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	19.8	-176.5	0	0	0	0	0	113.9	Y200 E201 S206	Y200-G203 WeakPolarHBondContact O-CA 3.24Å; Y200-G203 PolarHBondContact O-N 3.29Å; E201-G203 PolarHBondContact O-N 3.23Å; G203-S206 WeakPolarHBondContact CA-OG 3.28Å; G203-S206 PolarHBondContact O-OG 3.4Å
204	Y	98.7	Very high	97.4	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.008	24%	0.24	C	C	.	.	S	Bend	trans	-66.8	-49.7	173.5	-59.1	-19.2	0	0	0	109.8	D160 I163 F164 L179 Y198 I199 K202 S206 H207 Y210	D160-Y204 PolarHBondContact O-OH 2.78Å; D160-Y204 VanDerWaalsContact OD1-CE2 3.24Å; D160-Y204 WeakPolarHBondContact OD1-CE2 3.26Å; D160-Y204 PolarHBondContact OD1-OH 2.84Å; D160-Y204 PolarHBondContact OD2-OH 3.2Å; I163-Y204 HydrophobicContact CB-CD1 4.43Å; I163-Y204 HydrophobicContact CB-CD2 4.33Å; I163-Y204 HydrophobicContact CB-CE1 4.16Å; I163-Y204 HydrophobicContact CB-CE2 4.05Å; I163-Y204 HydrophobicContact CG1-CE2 4.22Å; I163-Y204 HydrophobicContact CG2-CD1 3.8Å; I163-Y204 HydrophobicContact CG2-CD2 3.71Å; I163-Y204 HydrophobicContact CG2-CE1 4.04Å; I163-Y204 HydrophobicContact CG2-CE2 3.95Å; I163-Y204 HydrophobicContact CG2-CG 3.64Å; F164-Y204 HydrophobicContact CD2-CD1 4.1Å; F164-Y204 AromaticContact CD2-CE1 3.62Å; F164-Y204 HydrophobicContact CD2-CE1 3.62Å; F164-Y204 HydrophobicContact CE1-CD1 4.2Å; F164-Y204 AromaticContact CE2-CD1 3.75Å; F164-Y204 HydrophobicContact CE2-CD1 3.75Å; F164-Y204 AromaticContact CE2-CE1 3.47Å; F164-Y204 HydrophobicContact CE2-CE1 3.47Å; F164-Y204 VanDerWaalsContact CE2-CE1 3.47Å; F164-Y204 HydrophobicContact CG-CD1 4.48Å; F164-Y204 HydrophobicContact CG-CE1 4.29Å; F164-Y204 AromaticContact CZ-CD1 3.8Å; F164-Y204 HydrophobicContact CZ-CD1 3.8Å; F164-Y204 HydrophobicContact CZ-CE1 4.03Å; L179-Y204 HydrophobicContact CD1-CD2 4.41Å; Y198-Y204 HydrophobicContact CE1-CE2 4.31Å; I199-Y204 HydrophobicContact CB-CD2 3.88Å; I199-Y204 HydrophobicContact CG2-CD2 3.91Å; I199-Y204 HydrophobicContact CG2-CE2 4.32Å; I199-Y204 WeakPolarHBondContact O-CB 3.39Å; I199-Y204 PolarHBondContact O-N 2.93Å; I199-Y204 VanDerWaalsContact O-N 3.08Å; K202-Y204 HydrophobicContact CB-CD1 3.97Å; K202-Y204 HydrophobicContact CB-CD2 4.37Å; K202-Y204 HydrophobicContact CB-CE1 3.81Å; K202-Y204 HydrophobicContact CB-CE2 4.23Å; K202-Y204 HydrophobicContact CB-CG 4.24Å; K202-Y204 VanDerWaalsContact CE-OH 3.23Å; K202-Y204 WeakPolarHBondContact CE-OH 3.31Å; Y204-S206 PolarHBondContact O-N 3.21Å; Y204-H207 VanDerWaalsContact O-CB 3.24Å; Y204-H207 WeakPolarHBondContact O-CB 3.39Å; Y204-H207 PolarHBondContact O-N 2.91Å; Y204-H207 VanDerWaalsContact O-N 3.13Å; Y204-Y210 WeakPolarHBondContact O-CB 3.44Å; Y204-Y210 WeakPolarHBondContact O-CD2 3.25Å
205	T	98.4	Very high	96.6	Very high	8 Å²	8	44.5 Å²	44.5	5%	0.049	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-18.4	-176.5	59.8	0	0	0	0	113.3	I199 Y210 H212 P225	I199-T205 HydrophobicContact CD1-CG2 3.89Å; I199-T205 HydrophobicContact CG1-CG2 3.96Å; T205-Y210 HydrophobicContact CG2-CD1 4.46Å; T205-Y210 HydrophobicContact CG2-CE1 4.03Å; T205-Y210 HydrophobicContact CG2-CE2 4.24Å; T205-H212 PolarHBondContact O-CE1 3.24Å; T205-H212 PolarHBondContact O-NE2 3.35Å; T205-P225 HydrophobicContact CG2-CB 3.82Å; T205-P225 HydrophobicContact CG2-CG 4.04Å
206	S	97.8	Very high	95.2	Very high	92 Å²	92	47.1 Å²	47.1	64%	0.643	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-4.4	174.4	58.4	0	0	0	0	113.6	G203 Y204	G203-S206 WeakPolarHBondContact CA-OG 3.28Å; G203-S206 PolarHBondContact O-OG 3.4Å; Y204-S206 PolarHBondContact O-N 3.21Å
207	H	98.6	Very high	93.5	Very high	25 Å²	25	56 Å²	56	12%	0.116	28%	0.278	C	S	.	.	S	Bend	trans	-68.4	140.2	179.8	-170.5	-86.6	0	0	0	111.3	L167 N168 Y204 A209 Y210	L167-H207 HydrophobicContact CD1-CB 3.97Å; L167-H207 HydrophobicContact CD2-CB 4.31Å; L167-H207 PolarHBondContact O-CE1 2.74Å; L167-H207 VanDerWaalsContact O-CE1 3.29Å; N168-H207 PolarHBondContact OD1-NE2 3.24Å; Y204-H207 VanDerWaalsContact O-CB 3.24Å; Y204-H207 WeakPolarHBondContact O-CB 3.39Å; Y204-H207 PolarHBondContact O-N 2.91Å; Y204-H207 VanDerWaalsContact O-N 3.13Å; H207-A209 WeakPolarHBondContact ND1-CB 3.42Å; H207-A209 PolarHBondContact ND1-N 3.41Å; H207-A209 PolarHBondContact O-N 2.82Å; H207-A209 VanDerWaalsContact O-N 3.12Å; H207-Y210 WeakPolarHBondContact O-CB 3.47Å; H207-Y210 PolarHBondContact O-N 2.79Å
208	P	98	Very high	91.6	Very high	87 Å²	87	56.3 Å²	56.3	57%	0.565	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-28.1	-178.2	-27.7	35.5	0	0	0	115.4	K176	K176-P208 PolarHBondContact NZ-O 2.83Å
209	A	98.5	Very high	89.9	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-2	173.9	0	0	0	0	0	114.2	L167 N171 K176 I177 H207	L167-A209 HydrophobicContact CD2-CB 4.12Å; L167-A209 WeakPolarHBondContact O-CB 3.34Å; N171-A209 HydrophobicContact CB-CB 3.78Å; K176-A209 CarbonylContact C-O 3.59Å; K176-A209 WeakPolarHBondContact CA-O 3.33Å; I177-A209 PolarHBondContact N-O 3.41Å; H207-A209 WeakPolarHBondContact ND1-CB 3.42Å; H207-A209 PolarHBondContact ND1-N 3.41Å; H207-A209 PolarHBondContact O-N 2.82Å; H207-A209 VanDerWaalsContact O-N 3.12Å
210	Y	98.9	Very high	88.4	Confident	4 Å²	4	60.9 Å²	60.9	2%	0.016	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-73.4	133.9	174.5	-157.3	-82.9	0	0	0	110	L167 I177 L179 Y204 T205 H207 H212 P225 V226	L167-Y210 HydrophobicContact CD2-CD2 4.17Å; I177-Y210 CarbonylContact O-C 3.49Å; I177-Y210 VanDerWaalsContact O-CA 3.32Å; I177-Y210 WeakPolarHBondContact O-CA 3.45Å; L179-Y210 HydrophobicContact CD1-CE2 4.44Å; L179-Y210 HydrophobicContact CG-CE2 4.07Å; Y204-Y210 WeakPolarHBondContact O-CB 3.44Å; Y204-Y210 WeakPolarHBondContact O-CD2 3.25Å; T205-Y210 HydrophobicContact CG2-CD1 4.46Å; T205-Y210 HydrophobicContact CG2-CE1 4.03Å; T205-Y210 HydrophobicContact CG2-CE2 4.24Å; H207-Y210 WeakPolarHBondContact O-CB 3.47Å; H207-Y210 PolarHBondContact O-N 2.79Å; Y210-H212 PolarHBondContact O-N 2.93Å; Y210-H212 PolarHBondContact O-ND1 2.91Å; Y210-P225 HydrophobicContact CD1-CB 3.76Å; Y210-P225 HydrophobicContact CE1-CB 3.55Å; Y210-V226 WeakPolarHBondContact CE1-O 3.38Å; Y210-V226 PolarHBondContact OH-O 2.82Å
211	Y	98.7	Very high	87.3	Confident	24 Å²	24	58.3 Å²	58.3	9%	0.094	33%	0.332	C	S	.	.			trans	-74.3	127.3	-176.3	-174.8	-120.5	0	0	0	110.8	Y51 H54 V141 K176 I177 V226	Y51-Y211 PolarHBondContact O-OH 2.89Å; H54-Y211 AromaticContact CE1-CE1 3.46Å; H54-Y211 VanDerWaalsContact CE1-CE1 3.46Å; H54-Y211 WeakPolarHBondContact CE1-CE1 3.16Å; H54-Y211 AromaticContact CE1-CZ 3.99Å; H54-Y211 AromaticContact NE2-CE1 3.8Å; H54-Y211 AromaticContact NE2-CZ 3.85Å; V141-Y211 HydrophobicContact CG1-CD1 3.95Å; V141-Y211 HydrophobicContact CG1-CD2 4.28Å; V141-Y211 HydrophobicContact CG1-CG 3.81Å; V141-Y211 HydrophobicContact CG2-CD1 4.33Å; V141-Y211 HydrophobicContact CG2-CD2 3.56Å; V141-Y211 HydrophobicContact CG2-CE1 4.37Å; V141-Y211 HydrophobicContact CG2-CE2 3.59Å; V141-Y211 HydrophobicContact CG2-CG 3.96Å; K176-Y211 HydrophobicContact CB-CD2 3.85Å; K176-Y211 HydrophobicContact CB-CG 4.24Å; K176-Y211 HydrophobicContact CG-CD2 4.12Å; I177-Y211 PolarHBondContact O-N 3.22Å; Y211-V226 HydrophobicContact CD1-CB 3.75Å; Y211-V226 HydrophobicContact CD1-CG1 4.19Å; Y211-V226 HydrophobicContact CD1-CG2 3.59Å; Y211-V226 HydrophobicContact CE1-CB 4.32Å; Y211-V226 HydrophobicContact CE1-CG2 3.77Å; Y211-V226 PolarHBondContact O-N 3.15Å
212	H	97.4	Very high	86.7	Confident	57 Å²	57	57.1 Å²	57.1	26%	0.264	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	150.3	177.2	-66.5	73.5	0	0	0	110.3	T205 Y210 L223 L224 P225	T205-H212 PolarHBondContact O-CE1 3.24Å; T205-H212 PolarHBondContact O-NE2 3.35Å; Y210-H212 PolarHBondContact O-N 2.93Å; Y210-H212 PolarHBondContact O-ND1 2.91Å; H212-L223 HydrophobicContact CB-CD1 3.54Å; H212-L223 HydrophobicContact CB-CD2 4.25Å; H212-L223 HydrophobicContact CB-CG 3.69Å; H212-L224 CarbonylContact C-O 3.55Å; H212-L224 WeakPolarHBondContact CA-O 3.49Å; H212-L224 WeakPolarHBondContact CB-O 3.4Å; H212-L224 VanDerWaalsContact CD2-C 3.46Å; H212-P225 VanDerWaalsContact CD2-CA 3.5Å; H212-P225 WeakPolarHBondContact CD2-CA 3.25Å
213	I	93.7	Very high	86.4	Confident	31 Å²	31	58.1 Å²	58.1	16%	0.159	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	144.8	174.1	-164.9	168.9	0	0	0	109.9	L224 V226 H261 T314	I213-L224 PolarHBondContact N-O 2.94Å; I213-L224 PolarHBondContact O-N 3.11Å; I213-V226 HydrophobicContact CB-CG2 4.1Å; I213-V226 HydrophobicContact CG2-CG2 3.68Å; I213-H261 HydrophobicContact CG2-CB 3.73Å; I213-H261 VanDerWaalsContact CG2-CG 3.43Å; I213-H261 WeakPolarHBondContact CG2-ND1 3.41Å; I213-T314 HydrophobicContact CD1-CG2 4.48Å
214	F	86.4	Confident	86.3	Confident	144 Å²	144	58 Å²	58	63%	0.632	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.7	128.8	169.2	-74.7	-81.1	0	0	0	109.2	K222 L223	F214-K222 WeakPolarHBondContact CA-O 3.46Å; F214-L223 HydrophobicContact CD1-CB 4.23Å; F214-L223 HydrophobicContact CD1-CD1 4.29Å; F214-L223 HydrophobicContact CD2-CD1 3.97Å; F214-L223 HydrophobicContact CE1-CB 4.02Å; F214-L223 HydrophobicContact CE1-CD1 4.23Å; F214-L223 HydrophobicContact CE2-CD1 3.9Å; F214-L223 HydrophobicContact CG-CD1 4.17Å; F214-L223 HydrophobicContact CZ-CB 4.47Å; F214-L223 HydrophobicContact CZ-CD1 4.04Å
215	T	79.4	Confident	86.3	Confident	14 Å²	14	58.6 Å²	58.6	9%	0.086	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-66.7	162.5	167.8	64.3	0	0	0	0	110.5	D219 K222 L224	T215-D219 PolarHBondContact OG1-O 3.46Å; T215-K222 PolarHBondContact N-O 3.43Å; T215-K222 PolarHBondContact OG1-N 3.26Å; T215-K222 PolarHBondContact OG1-O 3.41Å; T215-L224 HydrophobicContact CG2-CB 4.49Å; T215-L224 HydrophobicContact CG2-CD1 3.36Å; T215-L224 HydrophobicContact CG2-CG 3.77Å
216	N	68.6	Low	86.3	Confident	71 Å²	71	58.2 Å²	58.2	38%	0.38	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-59.1	153.8	173.8	-68.5	-45.4	0	0	0	110.8	S218 D219 G221 N312	N216-S218 PolarHBondContact O-N 2.86Å; N216-S218 VanDerWaalsContact O-N 3.15Å; N216-D219 WeakPolarHBondContact O-CA 3.44Å; N216-D219 PolarHBondContact O-N 3.35Å; N216-G221 PolarHBondContact O-N 2.69Å; N216-N312 PolarHBondContact ND2-ND2 3.36Å; N216-N312 PolarHBondContact ND2-OD1 3.5Å
217	Q	63.1	Low	86.3	Confident	188 Å²	188	54 Å²	54	88%	0.879	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-57.8	-31.5	179.9	-69.7	-167.3	1.4	0	0	112.5	D219 G220	Q217-D219 PolarHBondContact O-N 2.86Å; Q217-G220 PolarHBondContact O-N 3.43Å
218	S	58.7	Low	86.3	Confident	93 Å²	93	53 Å²	53	65%	0.65	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-59.4	-28.2	173.5	55.4	0	0	0	0	113.4	N216 G220	N216-S218 PolarHBondContact O-N 2.86Å; N216-S218 VanDerWaalsContact O-N 3.15Å; S218-G220 VanDerWaalsContact C-N 3.32Å
219	D	61	Low	86.4	Confident	84 Å²	84	48.8 Å²	48.8	45%	0.449	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-96.3	18.1	177.5	-60.5	-33.7	0	0	0	112.1	T215 N216 Q217	T215-D219 PolarHBondContact OG1-O 3.46Å; N216-D219 WeakPolarHBondContact O-CA 3.44Å; N216-D219 PolarHBondContact O-N 3.35Å; Q217-D219 PolarHBondContact O-N 2.86Å
220	G	67.4	Low	86.3	Confident	57 Å²	57	50.1 Å²	50.1	59%	0.588	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	8.5	178.5	0	0	0	0	0	115.2	Q217 S218 K222	Q217-G220 PolarHBondContact O-N 3.43Å; S218-G220 VanDerWaalsContact C-N 3.32Å; G220-K222 VanDerWaalsContact C-N 3.27Å; G220-K222 PolarHBondContact O-N 3.08Å
221	G	75.7	Confident	86.2	Confident	31 Å²	31	51.3 Å²	51.3	32%	0.32	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	60	34.2	176.4	0	0	0	0	0	113.8	N216	N216-G221 PolarHBondContact O-N 2.69Å
222	K	85.9	Confident	86.2	Confident	100 Å²	100	50.3 Å²	50.3	44%	0.435	28%	0.277	S	S	.	.			trans	-78.8	140.2	-175.9	-66.2	179.9	-178.8	175	0	110.2	F214 T215 G220 L224	F214-K222 WeakPolarHBondContact CA-O 3.46Å; T215-K222 PolarHBondContact N-O 3.43Å; T215-K222 PolarHBondContact OG1-N 3.26Å; T215-K222 PolarHBondContact OG1-O 3.41Å; G220-K222 VanDerWaalsContact C-N 3.27Å; G220-K222 PolarHBondContact O-N 3.08Å; K222-L224 HydrophobicContact CB-CD2 4.29Å; K222-L224 HydrophobicContact CB-CG 4.38Å; K222-L224 PolarHBondContact O-N 2.86Å
223	L	92	Very high	86.1	Confident	91 Å²	91	53.1 Å²	53.1	48%	0.476	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	113.4	169.7	-173.3	66.2	0	0	0	108.6	H212 F214	H212-L223 HydrophobicContact CB-CD1 3.54Å; H212-L223 HydrophobicContact CB-CD2 4.25Å; H212-L223 HydrophobicContact CB-CG 3.69Å; F214-L223 HydrophobicContact CD1-CB 4.23Å; F214-L223 HydrophobicContact CD1-CD1 4.29Å; F214-L223 HydrophobicContact CD2-CD1 3.97Å; F214-L223 HydrophobicContact CE1-CB 4.02Å; F214-L223 HydrophobicContact CE1-CD1 4.23Å; F214-L223 HydrophobicContact CE2-CD1 3.9Å; F214-L223 HydrophobicContact CG-CD1 4.17Å; F214-L223 HydrophobicContact CZ-CB 4.47Å; F214-L223 HydrophobicContact CZ-CD1 4.04Å
224	L	95.3	Very high	86.2	Confident	16 Å²	16	55.5 Å²	55.5	8%	0.084	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	139.9	-177.3	-65	-175.9	0	0	0	111.9	H212 I213 T215 K222 N259 H261	H212-L224 CarbonylContact C-O 3.55Å; H212-L224 WeakPolarHBondContact CA-O 3.49Å; H212-L224 WeakPolarHBondContact CB-O 3.4Å; H212-L224 VanDerWaalsContact CD2-C 3.46Å; I213-L224 PolarHBondContact N-O 2.94Å; I213-L224 PolarHBondContact O-N 3.11Å; T215-L224 HydrophobicContact CG2-CB 4.49Å; T215-L224 HydrophobicContact CG2-CD1 3.36Å; T215-L224 HydrophobicContact CG2-CG 3.77Å; K222-L224 HydrophobicContact CB-CD2 4.29Å; K222-L224 HydrophobicContact CB-CG 4.38Å; K222-L224 PolarHBondContact O-N 2.86Å; L224-N259 WeakPolarHBondContact CD1-ND2 3.41Å; L224-N259 HydrophobicContact CD2-CB 4.49Å; L224-H261 HydrophobicContact CB-CB 4.02Å
225	P	98.1	Very high	86.7	Confident	14 Å²	14	49 Å²	49	9%	0.091	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	141.2	171.1	28	-34.7	0	0	0	109.9	T205 Y210 H212 V260 H261	T205-P225 HydrophobicContact CG2-CB 3.82Å; T205-P225 HydrophobicContact CG2-CG 4.04Å; Y210-P225 HydrophobicContact CD1-CB 3.76Å; Y210-P225 HydrophobicContact CE1-CB 3.55Å; H212-P225 VanDerWaalsContact CD2-CA 3.5Å; H212-P225 WeakPolarHBondContact CD2-CA 3.25Å; P225-V260 HydrophobicContact CG-CB 4.38Å; P225-V260 HydrophobicContact CG-CG1 4.01Å; P225-V260 CarbonylContact O-C 3.38Å; P225-V260 WeakPolarHBondContact O-CA 3.26Å; P225-V260 WeakPolarHBondContact O-CB 3.37Å; P225-H261 PolarHBondContact O-N 2.93Å
226	V	98.5	Very high	87.5	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	136.4	-177	177.6	0	0	0	0	111.1	C178 Y210 Y211 I213 Y228 H261 I263	C178-V226 HydrophobicContact CB-CB 4.12Å; C178-V226 HydrophobicContact CB-CG1 4.27Å; C178-V226 WeakPolarHBondContact CB-O 3.11Å; Y210-V226 WeakPolarHBondContact CE1-O 3.38Å; Y210-V226 PolarHBondContact OH-O 2.82Å; Y211-V226 HydrophobicContact CD1-CB 3.75Å; Y211-V226 HydrophobicContact CD1-CG1 4.19Å; Y211-V226 HydrophobicContact CD1-CG2 3.59Å; Y211-V226 HydrophobicContact CE1-CB 4.32Å; Y211-V226 HydrophobicContact CE1-CG2 3.77Å; Y211-V226 PolarHBondContact O-N 3.15Å; I213-V226 HydrophobicContact CB-CG2 4.1Å; I213-V226 HydrophobicContact CG2-CG2 3.68Å; V226-Y228 HydrophobicContact CG1-CD2 4.01Å; V226-Y228 HydrophobicContact CG1-CE2 3.77Å; V226-H261 WeakPolarHBondContact CA-O 3.26Å; V226-H261 HydrophobicContact CG2-CB 4.19Å; V226-I263 HydrophobicContact CG1-CD1 3.73Å; V226-I263 HydrophobicContact CG1-CG1 4.44Å
227	V	98.8	Very high	88.8	Confident	3 Å²	3	53.8 Å²	53.8	2%	0.018	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	124.6	171.4	179.3	0	0	0	0	109.4	L181 L196 I199 V260 H261 I262 I263	L181-V227 HydrophobicContact CB-CG1 4.36Å; L196-V227 HydrophobicContact CD2-CB 4.41Å; L196-V227 HydrophobicContact CD2-CG1 4.27Å; L196-V227 HydrophobicContact CD2-CG2 4.02Å; I199-V227 HydrophobicContact CD1-CG2 3.87Å; V227-V260 HydrophobicContact CB-CG2 4.38Å; V227-V260 HydrophobicContact CG2-CB 4.23Å; V227-V260 HydrophobicContact CG2-CG1 4.18Å; V227-V260 HydrophobicContact CG2-CG2 4.28Å; V227-H261 PolarHBondContact N-O 2.93Å; V227-I262 WeakPolarHBondContact O-CA 3.43Å; V227-I263 PolarHBondContact O-N 3.37Å
228	Y	98.9	Very high	90.4	Very high	3 Å²	3	47.9 Å²	47.9	1%	0.012	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	143.9	167.9	-76.9	-114.5	0	0	0	108.6	H54 F56 V143 L179 H180 L181 V226 I263 Y284 Y316	H54-Y228 PolarHBondContact CE1-OH 3.37Å; H54-Y228 AromaticContact ND1-CE2 3.88Å; H54-Y228 AromaticContact ND1-CZ 3.73Å; H54-Y228 PolarHBondContact ND1-OH 3.24Å; F56-Y228 HydrophobicContact CZ-CD1 4.47Å; V143-Y228 HydrophobicContact CG1-CD1 4.21Å; V143-Y228 HydrophobicContact CG1-CD2 3.58Å; V143-Y228 HydrophobicContact CG1-CE2 4.21Å; V143-Y228 HydrophobicContact CG1-CG 3.59Å; V143-Y228 HydrophobicContact CG2-CD2 4.45Å; V143-Y228 HydrophobicContact CG2-CE2 4.27Å; L179-Y228 PolarHBondContact O-N 2.92Å; H180-Y228 CarbonylContact C-O 3.32Å; H180-Y228 WeakPolarHBondContact CA-O 3.16Å; L181-Y228 PolarHBondContact N-O 3.2Å; V226-Y228 HydrophobicContact CG1-CD2 4.01Å; V226-Y228 HydrophobicContact CG1-CE2 3.77Å; Y228-I263 HydrophobicContact CD1-CB 4.25Å; Y228-I263 HydrophobicContact CD1-CG2 4.12Å; Y228-I263 HydrophobicContact CD2-CD1 4.14Å; Y228-I263 HydrophobicContact CE1-CB 4.34Å; Y228-I263 HydrophobicContact CE1-CD1 4.18Å; Y228-I263 HydrophobicContact CE1-CG2 3.94Å; Y228-I263 HydrophobicContact CE2-CD1 3.52Å; Y228-I263 HydrophobicContact CG-CB 4.32Å; Y228-Y284 AromaticContact CD1-CD1 3.69Å; Y228-Y284 HydrophobicContact CD1-CD1 3.69Å; Y228-Y284 AromaticContact CD1-CD2 3.93Å; Y228-Y284 HydrophobicContact CD1-CD2 3.93Å; Y228-Y284 AromaticContact CD1-CE1 3.95Å; Y228-Y284 HydrophobicContact CD1-CE1 3.95Å; Y228-Y284 HydrophobicContact CD1-CE2 4.18Å; Y228-Y284 AromaticContact CD1-CG 3.71Å; Y228-Y284 HydrophobicContact CD1-CG 3.71Å; Y228-Y284 HydrophobicContact CE1-CD1 4.11Å; Y228-Y284 HydrophobicContact CE1-CD2 4.15Å; Y228-Y284 AromaticContact CE1-CG 3.79Å; Y228-Y284 HydrophobicContact CE1-CG 3.79Å; Y228-Y316 WeakPolarHBondContact OH-CD1 3.26Å
229	V	98.7	Very high	92.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	116.4	174.8	-173.9	0	0	0	0	108.9	L181 W240 I262 I263 Y284	L181-V229 HydrophobicContact CB-CG2 4.48Å; V229-W240 HydrophobicContact CG1-CH2 4.04Å; V229-W240 HydrophobicContact CG1-CZ2 4.01Å; V229-W240 HydrophobicContact CG2-CH2 4.16Å; V229-I262 HydrophobicContact CG2-CD1 3.74Å; V229-I262 HydrophobicContact CG2-CG1 3.72Å; V229-I263 PolarHBondContact N-O 2.88Å; V229-Y284 PolarHBondContact O-OH 3.49Å
230	Y	98.2	Very high	93.9	Very high	28 Å²	28	43.1 Å²	43.1	11%	0.11	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	144.5	171.8	-159.9	-130.5	0	0	0	110.3	H180 L181 E182 P183 R187 S232 L265 Y284 Y286	H180-Y230 AromaticContact CE1-CD2 3.6Å; H180-Y230 AromaticContact CE1-CG 3.8Å; H180-Y230 VanDerWaalsContact NE2-CB 3.27Å; H180-Y230 WeakPolarHBondContact NE2-CB 3.49Å; H180-Y230 AromaticContact NE2-CD2 3.54Å; H180-Y230 AromaticContact NE2-CG 3.71Å; L181-Y230 PolarHBondContact O-N 3.05Å; E182-Y230 WeakPolarHBondContact OE2-CD1 3.48Å; P183-Y230 HydrophobicContact CG-CD1 4.23Å; R187-Y230 VanDerWaalsContact CZ-O 3.27Å; R187-Y230 PolarHBondContact NH1-O 3.33Å; R187-Y230 PolarHBondContact NH2-O 3.44Å; Y230-S232 PolarHBondContact O-N 3.12Å; Y230-S232 VanDerWaalsContact O-N 3.14Å; Y230-L265 HydrophobicContact CD2-CD2 4Å; Y230-L265 HydrophobicContact CE2-CD2 3.87Å; Y230-Y284 VanDerWaalsContact CA-OH 3.31Å; Y230-Y284 WeakPolarHBondContact CA-OH 3.31Å; Y230-Y284 WeakPolarHBondContact CD2-OH 3.11Å; Y230-Y286 HydrophobicContact CD2-CG 4.47Å; Y230-Y286 AromaticContact CE2-CD1 3.59Å; Y230-Y286 HydrophobicContact CE2-CD1 3.59Å; Y230-Y286 HydrophobicContact CE2-CD2 4.13Å; Y230-Y286 AromaticContact CE2-CE1 3.87Å; Y230-Y286 HydrophobicContact CE2-CE1 3.87Å; Y230-Y286 HydrophobicContact CE2-CE2 4.35Å; Y230-Y286 AromaticContact CE2-CG 3.72Å; Y230-Y286 HydrophobicContact CE2-CG 3.72Å; Y230-Y286 AromaticContact CZ-CD1 3.96Å; Y230-Y286 AromaticContact CZ-CE1 3.89Å; Y230-Y286 WeakPolarHBondContact OH-CE1 3.33Å
231	D	96.4	Very high	95.3	Very high	28 Å²	28	45.4 Å²	45.4	15%	0.15	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	37.9	-178.6	-74.8	-11.1	0	0	0	114	P183 R187 Y233 T234	P183-D231 HydrophobicContact CB-CB 4.3Å; P183-D231 HydrophobicContact CG-CB 4.36Å; R187-D231 PolarHBondContact NH2-O 2.99Å; D231-Y233 HydrophobicContact CB-CE1 4Å; D231-Y233 PolarHBondContact O-N 2.06Å; D231-Y233 WeakPolarHBondContact OD1-CE1 3.35Å; D231-Y233 PolarHBondContact OD1-OH 3.45Å; D231-T234 HydrophobicContact CB-CG2 3.9Å; D231-T234 WeakPolarHBondContact O-CG2 3.45Å; D231-T234 PolarHBondContact O-N 3.42Å; D231-T234 PolarHBondContact O-OG1 3.2Å
232	S	97.5	Very high	96.2	Very high	4 Å²	4	48.8 Å²	48.8	3%	0.028	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-57.5	-24.1	-178.7	54.7	0	0	0	0	113.3	Y230 T234 I235 W240 L265	Y230-S232 PolarHBondContact O-N 3.12Å; Y230-S232 VanDerWaalsContact O-N 3.14Å; S232-T234 PolarHBondContact O-N 3.04Å; S232-I235 PolarHBondContact O-N 3.28Å; S232-W240 PolarHBondContact O-NE1 3.25Å; S232-L265 PolarHBondContact OG-N 3.19Å
233	Y	95.6	Very high	96.7	Very high	116 Å²	116	44 Å²	44	46%	0.455	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-67.7	-12.3	176.1	62.3	-96.4	0	0	0	114.1	D231 I235 L265 L267	D231-Y233 HydrophobicContact CB-CE1 4Å; D231-Y233 PolarHBondContact O-N 2.06Å; D231-Y233 WeakPolarHBondContact OD1-CE1 3.35Å; D231-Y233 PolarHBondContact OD1-OH 3.45Å; Y233-I235 PolarHBondContact O-N 3.03Å; Y233-L265 HydrophobicContact CD1-CD2 4.29Å; Y233-L265 HydrophobicContact CE1-CD2 3.85Å; Y233-L267 HydrophobicContact CD1-CD1 3.48Å; Y233-L267 VanDerWaalsContact CD1-CD1 3.48Å; Y233-L267 HydrophobicContact CD1-CG 4.05Å; Y233-L267 HydrophobicContact CD2-CD1 4.27Å; Y233-L267 HydrophobicContact CE1-CD1 3.47Å; Y233-L267 VanDerWaalsContact CE1-CD1 3.47Å; Y233-L267 HydrophobicContact CE1-CD2 4.43Å; Y233-L267 HydrophobicContact CE1-CG 4.16Å; Y233-L267 HydrophobicContact CE2-CD1 4.25Å; Y233-L267 HydrophobicContact CG-CD1 3.9Å
234	T	95.6	Very high	96.9	Very high	80 Å²	80	39.9 Å²	39.9	49%	0.491	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-72.5	-14.6	174.9	66.3	0	0	0	0	112.6	R187 D231 S232	R187-T234 PolarHBondContact NH2-OG1 3.12Å; D231-T234 HydrophobicContact CB-CG2 3.9Å; D231-T234 WeakPolarHBondContact O-CG2 3.45Å; D231-T234 PolarHBondContact O-N 3.42Å; D231-T234 PolarHBondContact O-OG1 3.2Å; S232-T234 PolarHBondContact O-N 3.04Å
235	I	96.4	Very high	96.8	Very high	7 Å²	7	42.3 Å²	42.3	4%	0.036	21%	0.209	C	C	.	.	S	Bend	trans	-106.4	130.7	172.6	-64.8	175.8	0	0	0	107.7	R187 I192 S232 Y233 K239 W240	R187-I235 HydrophobicContact CG-CD1 4.23Å; I192-I235 HydrophobicContact CD1-CD1 4.35Å; I192-I235 HydrophobicContact CG1-CD1 3.81Å; S232-I235 PolarHBondContact O-N 3.28Å; Y233-I235 PolarHBondContact O-N 3.03Å; I235-K239 HydrophobicContact CG2-CB 3.64Å; I235-K239 HydrophobicContact CG2-CD 4.2Å; I235-W240 HydrophobicContact CB-CZ2 4.42Å; I235-W240 HydrophobicContact CD1-CZ2 3.91Å; I235-W240 HydrophobicContact CG2-CD2 4.4Å; I235-W240 HydrophobicContact CG2-CG 4.2Å
236	E	96.2	Very high	96.4	Very high	122 Å²	122	46.5 Å²	46.5	57%	0.57	23%	0.234	S	C	*	.			trans	-59.5	142.7	-179.4	-65.6	179.1	-176.8	0	0	112.2	S238 K239 W240	E236-S238 PolarHBondContact O-N 3.29Å; E236-S238 VanDerWaalsContact O-N 3.09Å; E236-K239 WeakPolarHBondContact O-CB 3.48Å; E236-K239 PolarHBondContact O-N 2.91Å; E236-W240 PolarHBondContact O-N 2.69Å
237	P	96.9	Very high	95.9	Very high	64 Å²	64	49 Å²	49	42%	0.416	25%	0.252	S	S	.	.	H	α-helix	trans	-50	-36.8	176.4	-33.1	38.6	0	0	0	114.4	K239 W240 K241 V274 S278	P237-K239 VanDerWaalsContact C-N 3.29Å; P237-K239 PolarHBondContact O-N 2.75Å; P237-W240 PolarHBondContact O-N 2.93Å; P237-K241 WeakPolarHBondContact O-CB 3.25Å; P237-K241 PolarHBondContact O-N 3.45Å; P237-V274 HydrophobicContact CB-CG1 4.19Å; P237-V274 HydrophobicContact CG-CG1 3.61Å; P237-S278 WeakPolarHBondContact CA-OG 3.32Å; P237-S278 WeakPolarHBondContact CB-OG 3.38Å
238	S	95.9	Very high	95.2	Very high	64 Å²	64	57.4 Å²	57.4	45%	0.448	30%	0.297	S	S	.	.	H	α-helix	trans	-63.6	-31.6	178.8	63.9	0	0	0	0	113.2	E236	E236-S238 PolarHBondContact O-N 3.29Å; E236-S238 VanDerWaalsContact O-N 3.09Å
239	K	96.5	Very high	94.4	Very high	73 Å²	73	60.9 Å²	60.9	32%	0.317	32%	0.316	S	S	.	.	H	α-helix	trans	-78.3	-45.6	176.6	-70.3	-172.8	175	-165.5	0	110.9	D189 I235 E236 P237 K241 K242 I243	D189-K239 HydrophobicContact CB-CB 4.14Å; D189-K239 IonicContact OD1-NZ 3.83Å; I235-K239 HydrophobicContact CG2-CB 3.64Å; I235-K239 HydrophobicContact CG2-CD 4.2Å; E236-K239 WeakPolarHBondContact O-CB 3.48Å; E236-K239 PolarHBondContact O-N 2.91Å; P237-K239 VanDerWaalsContact C-N 3.29Å; P237-K239 PolarHBondContact O-N 2.75Å; K239-K241 PolarHBondContact O-N 2.98Å; K239-K242 WeakPolarHBondContact O-CB 3.33Å; K239-K242 PolarHBondContact O-N 2.92Å; K239-I243 WeakPolarHBondContact O-CG1 3.37Å; K239-I243 PolarHBondContact O-N 3.01Å
240	W	97.5	Very high	93.7	Very high	5 Å²	5	68 Å²	68	2%	0.019	35%	0.349	C	S	.	.	H	α-helix	trans	-55.3	-40.7	171.8	-80.3	118.9	0	0	0	112.3	I192 V229 S232 I235 E236 P237 K242 I243 L244 I262 S278 F280	I192-W240 HydrophobicContact CD1-CH2 4.06Å; I192-W240 HydrophobicContact CG1-CH2 4.08Å; I192-W240 HydrophobicContact CG2-CH2 3.99Å; I192-W240 HydrophobicContact CG2-CZ3 3.83Å; V229-W240 HydrophobicContact CG1-CH2 4.04Å; V229-W240 HydrophobicContact CG1-CZ2 4.01Å; V229-W240 HydrophobicContact CG2-CH2 4.16Å; S232-W240 PolarHBondContact O-NE1 3.25Å; I235-W240 HydrophobicContact CB-CZ2 4.42Å; I235-W240 HydrophobicContact CD1-CZ2 3.91Å; I235-W240 HydrophobicContact CG2-CD2 4.4Å; I235-W240 HydrophobicContact CG2-CG 4.2Å; E236-W240 PolarHBondContact O-N 2.69Å; P237-W240 PolarHBondContact O-N 2.93Å; W240-K242 VanDerWaalsContact C-N 3.27Å; W240-K242 PolarHBondContact O-N 2.78Å; W240-I243 HydrophobicContact CD2-CD1 4.43Å; W240-I243 HydrophobicContact CE3-CD1 3.78Å; W240-I243 HydrophobicContact CZ3-CD1 4.02Å; W240-I243 WeakPolarHBondContact O-CB 3.41Å; W240-I243 PolarHBondContact O-N 3.48Å; W240-L244 HydrophobicContact CD2-CD1 4.41Å; W240-L244 HydrophobicContact CE3-CD1 3.6Å; W240-L244 HydrophobicContact CE3-CG 4.03Å; W240-L244 HydrophobicContact CZ3-CD1 4.21Å; W240-L244 WeakPolarHBondContact O-CB 3.32Å; W240-L244 PolarHBondContact O-N 2.9Å; W240-I262 HydrophobicContact CH2-CD1 4.25Å; W240-I262 HydrophobicContact CZ3-CD1 3.77Å; W240-S278 CarbonylContact C-O 3.58Å; W240-S278 VanDerWaalsContact C-O 3.3Å; W240-F280 HydrophobicContact CB-CE2 3.95Å; W240-F280 AromaticContact CD1-CE2 3.91Å; W240-F280 AromaticContact CD2-CE2 3.57Å; W240-F280 HydrophobicContact CD2-CE2 3.57Å; W240-F280 AromaticContact CD2-CZ 3.46Å; W240-F280 HydrophobicContact CD2-CZ 3.46Å; W240-F280 VanDerWaalsContact CD2-CZ 3.46Å; W240-F280 AromaticContact CE2-CZ 3.53Å; W240-F280 AromaticContact CE3-CE2 3.96Å; W240-F280 HydrophobicContact CE3-CE2 3.96Å; W240-F280 AromaticContact CE3-CZ 3.71Å; W240-F280 HydrophobicContact CE3-CZ 3.71Å; W240-F280 AromaticContact CG-CE2 3.55Å; W240-F280 HydrophobicContact CG-CE2 3.55Å; W240-F280 AromaticContact CG-CZ 3.94Å; W240-F280 HydrophobicContact CG-CZ 3.94Å; W240-F280 HydrophobicContact CH2-CZ 4.12Å; W240-F280 AromaticContact CZ2-CZ 3.88Å; W240-F280 HydrophobicContact CZ2-CZ 3.88Å; W240-F280 HydrophobicContact CZ3-CZ 4.03Å; W240-F280 AromaticContact NE1-CZ 3.91Å
241	K	95.9	Very high	93.4	Very high	104 Å²	104	68.5 Å²	68.5	45%	0.452	36%	0.355	S	S	.	.	H	α-helix	trans	-54.9	-39.5	175.4	-171.7	173.7	-179.1	176.7	0	113	P237 K239 Q245 S278	P237-K241 WeakPolarHBondContact O-CB 3.25Å; P237-K241 PolarHBondContact O-N 3.45Å; K239-K241 PolarHBondContact O-N 2.98Å; K241-Q245 VanDerWaalsContact CE-CD 3.41Å; K241-Q245 HydrophobicContact CG-CB 4.44Å; K241-Q245 HydrophobicContact CG-CG 3.79Å; K241-Q245 VanDerWaalsContact O-CB 3.23Å; K241-Q245 WeakPolarHBondContact O-CB 3.47Å; K241-Q245 WeakPolarHBondContact O-CG 3.33Å; K241-Q245 PolarHBondContact O-N 2.87Å; K241-S278 WeakPolarHBondContact CA-O 3.47Å; K241-S278 PolarHBondContact N-O 3.37Å
242	K	95.6	Very high	93.3	Very high	103 Å²	103	67.3 Å²	67.3	45%	0.448	35%	0.349	S	S	.	.	H	α-helix	trans	-65.8	-39.5	176	-62.8	177.8	-176.7	179	0	112.1	K239 W240 T252	K239-K242 WeakPolarHBondContact O-CB 3.33Å; K239-K242 PolarHBondContact O-N 2.92Å; W240-K242 VanDerWaalsContact C-N 3.27Å; W240-K242 PolarHBondContact O-N 2.78Å; K242-T252 VanDerWaalsContact O-CA 3.29Å; K242-T252 WeakPolarHBondContact O-CA 3.44Å; K242-T252 WeakPolarHBondContact O-CB 3.34Å; K242-T252 PolarHBondContact O-N 3.03Å
243	I	97	Very high	93.3	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-71.5	-40.5	-179.9	-54.2	167.7	0	0	0	111.2	D189 I192 V193 K239 W240 T251 T252 I253	D189-I243 HydrophobicContact CB-CD1 3.65Å; D189-I243 HydrophobicContact CB-CG1 3.82Å; I192-I243 HydrophobicContact CB-CD1 4.21Å; I192-I243 HydrophobicContact CG2-CD1 4.12Å; I192-I243 HydrophobicContact CG2-CG2 4.37Å; V193-I243 HydrophobicContact CG2-CG1 4.18Å; V193-I243 HydrophobicContact CG2-CG2 3.87Å; K239-I243 WeakPolarHBondContact O-CG1 3.37Å; K239-I243 PolarHBondContact O-N 3.01Å; W240-I243 HydrophobicContact CD2-CD1 4.43Å; W240-I243 HydrophobicContact CE3-CD1 3.78Å; W240-I243 HydrophobicContact CZ3-CD1 4.02Å; W240-I243 WeakPolarHBondContact O-CB 3.41Å; W240-I243 PolarHBondContact O-N 3.48Å; I243-T251 WeakPolarHBondContact CA-O 3.18Å; I243-T252 CarbonylContact O-C 3.52Å; I243-T252 WeakPolarHBondContact O-CA 3.37Å; I243-T252 PolarHBondContact O-OG1 2.89Å; I243-I253 HydrophobicContact CG2-CG2 3.85Å; I243-I253 PolarHBondContact O-N 3.17Å
244	L	96.4	Very high	93.1	Very high	4 Å²	4	62.8 Å²	62.8	2%	0.021	33%	0.33	C	S	.	.	H	α-helix	trans	-115.1	-1.5	-161.5	-57.8	178.8	0	0	0	114.8	W240 I253 R254 I262 S278 G279 F280	W240-L244 HydrophobicContact CD2-CD1 4.41Å; W240-L244 HydrophobicContact CE3-CD1 3.6Å; W240-L244 HydrophobicContact CE3-CG 4.03Å; W240-L244 HydrophobicContact CZ3-CD1 4.21Å; W240-L244 WeakPolarHBondContact O-CB 3.32Å; W240-L244 PolarHBondContact O-N 2.9Å; L244-I253 HydrophobicContact CD2-CD1 3.63Å; L244-I253 HydrophobicContact CD2-CG1 4.05Å; L244-R254 WeakPolarHBondContact O-CG 3.16Å; L244-R254 PolarHBondContact O-NE 2.82Å; L244-I262 HydrophobicContact CD1-CD1 4.43Å; L244-I262 HydrophobicContact CD1-CG2 3.59Å; L244-I262 HydrophobicContact CD2-CD1 4.14Å; L244-I262 HydrophobicContact CD2-CG2 3.75Å; L244-I262 HydrophobicContact CG-CG2 4.29Å; L244-S278 WeakPolarHBondContact CB-O 3.27Å; L244-G279 WeakPolarHBondContact CB-O 3.24Å; L244-F280 HydrophobicContact CD1-CD1 4.26Å; L244-F280 HydrophobicContact CD1-CD2 3.67Å; L244-F280 HydrophobicContact CD1-CE1 4.35Å; L244-F280 HydrophobicContact CD1-CE2 3.79Å; L244-F280 HydrophobicContact CD1-CG 3.92Å; L244-F280 HydrophobicContact CD1-CZ 4.13Å
245	Q	92	Very high	92.8	Very high	67 Å²	67	64.2 Å²	64.2	31%	0.313	34%	0.335	S	S	.	.	S	Bend	trans	-100.6	147	168.6	-65.2	-164.2	-11.3	0	0	111.5	K241 S247 T252 E277	K241-Q245 VanDerWaalsContact CE-CD 3.41Å; K241-Q245 HydrophobicContact CG-CB 4.44Å; K241-Q245 HydrophobicContact CG-CG 3.79Å; K241-Q245 VanDerWaalsContact O-CB 3.23Å; K241-Q245 WeakPolarHBondContact O-CB 3.47Å; K241-Q245 WeakPolarHBondContact O-CG 3.33Å; K241-Q245 PolarHBondContact O-N 2.87Å; Q245-S247 PolarHBondContact O-N 3.32Å; Q245-T252 WeakPolarHBondContact O-CB 3.06Å; Q245-T252 PolarHBondContact O-OG1 2.6Å; Q245-E277 PolarHBondContact NE2-O 3.04Å
246	T	89.5	Confident	92.7	Very high	101 Å²	101	66 Å²	66	62%	0.62	34%	0.343	S	S	*	.			trans	-63.8	122.7	172.3	-57.7	0	0	0	0	109.8	N255	T246-N255 WeakPolarHBondContact CG2-ND2 3.34Å
247	S	88.5	Confident	92.6	Very high	54 Å²	54	66.1 Å²	66.1	38%	0.378	35%	0.346	S	S	.	.			trans	-154.5	173.1	174	66.2	0	0	0	0	108.6	Q245 D249 T252	Q245-S247 PolarHBondContact O-N 3.32Å; S247-D249 PolarHBondContact O-N 3.48Å; S247-D249 WeakPolarHBondContact OG-CB 3.45Å; S247-D249 PolarHBondContact OG-N 2.65Å; S247-T252 WeakPolarHBondContact O-CG2 3.27Å
248	D	83.3	Confident	92.5	Very high	178 Å²	178	64.4 Å²	64.4	95%	0.952	33%	0.331	S	S	*	.	S	Bend	trans	-83.5	8.1	170.8	-59	-39.7	0	0	0	112.3
249	D	83.3	Confident	92.5	Very high	76 Å²	76	62.3 Å²	62.3	41%	0.406	32%	0.315	S	S	.	.			trans	-79.6	134.1	-177.7	-165.9	-57	0	0	0	111	S247 T251 T252	S247-D249 PolarHBondContact O-N 3.48Å; S247-D249 WeakPolarHBondContact OG-CB 3.45Å; S247-D249 PolarHBondContact OG-N 2.65Å; D249-T251 PolarHBondContact O-N 3.41Å; D249-T251 VanDerWaalsContact O-N 3.08Å; D249-T251 VanDerWaalsContact OD1-CB 3.29Å; D249-T251 WeakPolarHBondContact OD1-CB 3.4Å; D249-T251 WeakPolarHBondContact OD1-CG2 3.41Å; D249-T251 PolarHBondContact OD1-N 2.99Å; D249-T251 PolarHBondContact OD1-OG1 2.81Å; D249-T252 WeakPolarHBondContact O-CG2 3.32Å; D249-T252 PolarHBondContact O-N 2.78Å
250	E	84.3	Confident	92.5	Very high	151 Å²	151	59 Å²	59	71%	0.706	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-16.1	177.9	-76.6	-62	164.9	0	0	114	T252 K256	E250-T252 VanDerWaalsContact C-N 3.33Å; E250-K256 PolarHBondContact O-NZ 3.49Å; E250-K256 IonicContact OE2-NZ 2.86Å; E250-K256 PolarHBondContact OE2-NZ 2.6Å
251	T	91	Very high	92.5	Very high	37 Å²	37	59.1 Å²	59.1	23%	0.227	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-20.2	173.6	58.3	0	0	0	0	113.2	V193 I243 D249	V193-T251 WeakPolarHBondContact CG2-O 3.27Å; I243-T251 WeakPolarHBondContact CA-O 3.18Å; D249-T251 PolarHBondContact O-N 3.41Å; D249-T251 VanDerWaalsContact O-N 3.08Å; D249-T251 VanDerWaalsContact OD1-CB 3.29Å; D249-T251 WeakPolarHBondContact OD1-CB 3.4Å; D249-T251 WeakPolarHBondContact OD1-CG2 3.41Å; D249-T251 PolarHBondContact OD1-N 2.99Å; D249-T251 PolarHBondContact OD1-OG1 2.81Å
252	T	95.4	Very high	92.6	Very high	4 Å²	4	54.2 Å²	54.2	3%	0.025	28%	0.28	C	S	.	.			trans	-71.6	136	178.3	-171	0	0	0	0	111.3	K242 I243 Q245 S247 D249 E250 R254 K256	K242-T252 VanDerWaalsContact O-CA 3.29Å; K242-T252 WeakPolarHBondContact O-CA 3.44Å; K242-T252 WeakPolarHBondContact O-CB 3.34Å; K242-T252 PolarHBondContact O-N 3.03Å; I243-T252 CarbonylContact O-C 3.52Å; I243-T252 WeakPolarHBondContact O-CA 3.37Å; I243-T252 PolarHBondContact O-OG1 2.89Å; Q245-T252 WeakPolarHBondContact O-CB 3.06Å; Q245-T252 PolarHBondContact O-OG1 2.6Å; S247-T252 WeakPolarHBondContact O-CG2 3.27Å; D249-T252 WeakPolarHBondContact O-CG2 3.32Å; D249-T252 PolarHBondContact O-N 2.78Å; E250-T252 VanDerWaalsContact C-N 3.33Å; T252-R254 WeakPolarHBondContact OG1-CB 3.49Å; T252-R254 PolarHBondContact OG1-N 2.96Å; T252-R254 VanDerWaalsContact OG1-N 3.14Å; T252-K256 WeakPolarHBondContact O-CD 3.5Å; T252-K256 WeakPolarHBondContact O-CE 3.14Å; T252-K256 PolarHBondContact O-NZ 2.84Å
253	I	95.7	Very high	92.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.259	C	S	.	.			trans	-87.6	-14.6	169.1	74.3	176.5	0	0	0	111.3	V193 L196 I243 L244 N255 K256 Y258 N259 V260	V193-I253 HydrophobicContact CG1-CG2 4.41Å; V193-I253 HydrophobicContact CG2-CG2 4.08Å; L196-I253 HydrophobicContact CD1-CD1 3.67Å; L196-I253 HydrophobicContact CD1-CG2 4.04Å; I243-I253 HydrophobicContact CG2-CG2 3.85Å; I243-I253 PolarHBondContact O-N 3.17Å; L244-I253 HydrophobicContact CD2-CD1 3.63Å; L244-I253 HydrophobicContact CD2-CG1 4.05Å; I253-N255 PolarHBondContact O-N 3.41Å; I253-K256 WeakPolarHBondContact O-CB 3.36Å; I253-K256 PolarHBondContact O-N 2.82Å; I253-K256 VanDerWaalsContact O-N 3.11Å; I253-Y258 HydrophobicContact CB-CD2 4.28Å; I253-Y258 HydrophobicContact CB-CE2 4.2Å; I253-Y258 HydrophobicContact CG2-CD2 4.25Å; I253-Y258 HydrophobicContact CG2-CE2 3.97Å; I253-N259 WeakPolarHBondContact O-CB 3.36Å; I253-V260 HydrophobicContact CD1-CG2 3.88Å
254	R	93.2	Very high	92.8	Very high	24 Å²	24	49.3 Å²	49.3	9%	0.091	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	137.7	-176.1	-59.1	-50.9	-174	-164.4	4.6	109.4	L244 T252 K256 N259 V260 G279 N281	L244-R254 WeakPolarHBondContact O-CG 3.16Å; L244-R254 PolarHBondContact O-NE 2.82Å; T252-R254 WeakPolarHBondContact OG1-CB 3.49Å; T252-R254 PolarHBondContact OG1-N 2.96Å; T252-R254 VanDerWaalsContact OG1-N 3.14Å; R254-K256 PolarHBondContact O-N 3.12Å; R254-K256 VanDerWaalsContact O-N 3.16Å; R254-N259 WeakPolarHBondContact CD-OD1 3.47Å; R254-N259 PolarHBondContact NH1-OD1 2.99Å; R254-V260 PolarHBondContact NH1-O 2.83Å; R254-G279 PolarHBondContact NH2-O 2.82Å; R254-N281 PolarHBondContact NH1-OD1 2.88Å; R254-N281 PolarHBondContact NH2-OD1 3.1Å
255	N	89.1	Confident	92.9	Very high	111 Å²	111	49.3 Å²	49.3	59%	0.594	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	6.8	-173.2	-55	-44.5	0	0	0	116.1	T246 I253	T246-N255 WeakPolarHBondContact CG2-ND2 3.34Å; I253-N255 PolarHBondContact O-N 3.41Å
256	K	93.3	Very high	93.2	Very high	45 Å²	45	46.1 Å²	46.1	20%	0.196	24%	0.244	C	C	.	.	S	Bend	trans	-89.4	160.3	171.1	-57.7	-165.2	174.7	178.8	0	111.2	E250 T252 I253 R254 Y258 N259	E250-K256 PolarHBondContact O-NZ 3.49Å; E250-K256 IonicContact OE2-NZ 2.86Å; E250-K256 PolarHBondContact OE2-NZ 2.6Å; T252-K256 WeakPolarHBondContact O-CD 3.5Å; T252-K256 WeakPolarHBondContact O-CE 3.14Å; T252-K256 PolarHBondContact O-NZ 2.84Å; I253-K256 WeakPolarHBondContact O-CB 3.36Å; I253-K256 PolarHBondContact O-N 2.82Å; I253-K256 VanDerWaalsContact O-N 3.11Å; R254-K256 PolarHBondContact O-N 3.12Å; R254-K256 VanDerWaalsContact O-N 3.16Å; K256-Y258 HydrophobicContact CB-CD1 4.26Å; K256-Y258 HydrophobicContact CB-CD2 4.38Å; K256-Y258 HydrophobicContact CB-CE1 4.01Å; K256-Y258 HydrophobicContact CB-CE2 4.13Å; K256-Y258 HydrophobicContact CB-CG 4.45Å; K256-Y258 HydrophobicContact CD-CE1 3.98Å; K256-Y258 HydrophobicContact CD-CE2 3.88Å; K256-Y258 WeakPolarHBondContact CD-OH 3.35Å; K256-Y258 PolarHBondContact NZ-OH 2.91Å; K256-Y258 PolarHBondContact O-N 2.69Å; K256-N259 VanDerWaalsContact O-CB 3.24Å; K256-N259 WeakPolarHBondContact O-CB 3.45Å; K256-N259 PolarHBondContact O-N 2.96Å; K256-N259 VanDerWaalsContact O-N 3.08Å
257	I	93.7	Very high	93.5	Very high	124 Å²	124	42.9 Å²	42.9	64%	0.636	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-25.4	-180	62.5	-178.4	0	0	0	113	Y200	Y200-I257 HydrophobicContact CD1-CD1 4.34Å; Y200-I257 HydrophobicContact CD1-CG1 4.23Å; Y200-I257 WeakPolarHBondContact CD2-O 3.19Å; Y200-I257 HydrophobicContact CE1-CB 4.2Å; Y200-I257 HydrophobicContact CE1-CD1 3.47Å; Y200-I257 VanDerWaalsContact CE1-CD1 3.47Å; Y200-I257 HydrophobicContact CE1-CG1 3.63Å; Y200-I257 HydrophobicContact CE2-CB 4.34Å; Y200-I257 WeakPolarHBondContact CE2-O 3.1Å
258	Y	95.8	Very high	93.9	Very high	27 Å²	27	44.1 Å²	44.1	11%	0.106	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	24.3	176.7	53	-96.4	0	0	0	113	V193 K197 I253 K256	V193-Y258 HydrophobicContact CG1-CE2 4.17Å; K197-Y258 HydrophobicContact CB-CD1 4.15Å; K197-Y258 HydrophobicContact CB-CD2 4.2Å; K197-Y258 HydrophobicContact CB-CE1 4.28Å; K197-Y258 HydrophobicContact CB-CE2 4.33Å; K197-Y258 HydrophobicContact CB-CG 4.1Å; K197-Y258 HydrophobicContact CD-CE1 4.08Å; K197-Y258 HydrophobicContact CG-CD1 4Å; K197-Y258 HydrophobicContact CG-CE1 4.07Å; K197-Y258 HydrophobicContact CG-CG 4.42Å; I253-Y258 HydrophobicContact CB-CD2 4.28Å; I253-Y258 HydrophobicContact CB-CE2 4.2Å; I253-Y258 HydrophobicContact CG2-CD2 4.25Å; I253-Y258 HydrophobicContact CG2-CE2 3.97Å; K256-Y258 HydrophobicContact CB-CD1 4.26Å; K256-Y258 HydrophobicContact CB-CD2 4.38Å; K256-Y258 HydrophobicContact CB-CE1 4.01Å; K256-Y258 HydrophobicContact CB-CE2 4.13Å; K256-Y258 HydrophobicContact CB-CG 4.45Å; K256-Y258 HydrophobicContact CD-CE1 3.98Å; K256-Y258 HydrophobicContact CD-CE2 3.88Å; K256-Y258 WeakPolarHBondContact CD-OH 3.35Å; K256-Y258 PolarHBondContact NZ-OH 2.91Å; K256-Y258 PolarHBondContact O-N 2.69Å
259	N	95.7	Very high	94.5	Very high	21 Å²	21	38.7 Å²	38.7	11%	0.112	19%	0.193	C	C	.	.			trans	-64.8	143	173.2	-175.8	38.8	0	0	0	111.2	L224 I253 R254 K256	L224-N259 WeakPolarHBondContact CD1-ND2 3.41Å; L224-N259 HydrophobicContact CD2-CB 4.49Å; I253-N259 WeakPolarHBondContact O-CB 3.36Å; R254-N259 WeakPolarHBondContact CD-OD1 3.47Å; R254-N259 PolarHBondContact NH1-OD1 2.99Å; K256-N259 VanDerWaalsContact O-CB 3.24Å; K256-N259 WeakPolarHBondContact O-CB 3.45Å; K256-N259 PolarHBondContact O-N 2.96Å; K256-N259 VanDerWaalsContact O-N 3.08Å
260	V	96.8	Very high	95.1	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.012	20%	0.197	C	C	.	.			trans	-133.8	157.8	-177	-51	0	0	0	0	111.7	L196 P225 V227 I253 R254 I262	L196-V260 HydrophobicContact CD1-CG2 4.25Å; L196-V260 HydrophobicContact CD2-CG1 4.09Å; L196-V260 HydrophobicContact CD2-CG2 3.98Å; P225-V260 HydrophobicContact CG-CB 4.38Å; P225-V260 HydrophobicContact CG-CG1 4.01Å; P225-V260 CarbonylContact O-C 3.38Å; P225-V260 WeakPolarHBondContact O-CA 3.26Å; P225-V260 WeakPolarHBondContact O-CB 3.37Å; V227-V260 HydrophobicContact CB-CG2 4.38Å; V227-V260 HydrophobicContact CG2-CB 4.23Å; V227-V260 HydrophobicContact CG2-CG1 4.18Å; V227-V260 HydrophobicContact CG2-CG2 4.28Å; I253-V260 HydrophobicContact CD1-CG2 3.88Å; R254-V260 PolarHBondContact NH1-O 2.83Å; V260-I262 HydrophobicContact CG2-CB 4.03Å
261	H	96.3	Very high	95.7	Very high	9 Å²	9	33.7 Å²	33.7	4%	0.042	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	106.1	162.6	-176	100.4	0	0	0	108.1	I213 L224 P225 V226 V227 N281 T314	I213-H261 HydrophobicContact CG2-CB 3.73Å; I213-H261 VanDerWaalsContact CG2-CG 3.43Å; I213-H261 WeakPolarHBondContact CG2-ND1 3.41Å; L224-H261 HydrophobicContact CB-CB 4.02Å; P225-H261 PolarHBondContact O-N 2.93Å; V226-H261 WeakPolarHBondContact CA-O 3.26Å; V226-H261 HydrophobicContact CG2-CB 4.19Å; V227-H261 PolarHBondContact N-O 2.93Å; H261-N281 WeakPolarHBondContact CE1-CB 3.49Å; H261-N281 VanDerWaalsContact ND1-CB 3.35Å; H261-N281 WeakPolarHBondContact ND1-CB 3.4Å; H261-T314 PolarHBondContact NE2-OG1 3.39Å; H261-T314 VanDerWaalsContact NE2-OG1 3.09Å
262	I	97.9	Very high	96.1	Very high	1 Å²	1	32 Å²	32	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	133.5	-171	-160.3	166.7	0	0	0	111.6	V227 V229 W240 L244 V260 F280 N281 G282	V227-I262 WeakPolarHBondContact O-CA 3.43Å; V229-I262 HydrophobicContact CG2-CD1 3.74Å; V229-I262 HydrophobicContact CG2-CG1 3.72Å; W240-I262 HydrophobicContact CH2-CD1 4.25Å; W240-I262 HydrophobicContact CZ3-CD1 3.77Å; L244-I262 HydrophobicContact CD1-CD1 4.43Å; L244-I262 HydrophobicContact CD1-CG2 3.59Å; L244-I262 HydrophobicContact CD2-CD1 4.14Å; L244-I262 HydrophobicContact CD2-CG2 3.75Å; L244-I262 HydrophobicContact CG-CG2 4.29Å; V260-I262 HydrophobicContact CG2-CB 4.03Å; I262-F280 HydrophobicContact CB-CD1 4.44Å; I262-F280 HydrophobicContact CD1-CE1 4.38Å; I262-F280 HydrophobicContact CG1-CD1 4.25Å; I262-F280 HydrophobicContact CG1-CE1 4.1Å; I262-F280 HydrophobicContact CG2-CB 4.41Å; I262-F280 HydrophobicContact CG2-CD1 3.74Å; I262-F280 HydrophobicContact CG2-CE1 4.28Å; I262-F280 HydrophobicContact CG2-CG 4.19Å; I262-N281 PolarHBondContact N-OD1 2.89Å; I262-N281 PolarHBondContact O-N 3.1Å; I262-G282 PolarHBondContact O-N 2.77Å
263	I	98.6	Very high	96.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	122	-175.6	-54.5	174.1	0	0	0	109	V226 V227 Y228 V229 G282 Y284 Y316	V226-I263 HydrophobicContact CG1-CD1 3.73Å; V226-I263 HydrophobicContact CG1-CG1 4.44Å; V227-I263 PolarHBondContact O-N 3.37Å; Y228-I263 HydrophobicContact CD1-CB 4.25Å; Y228-I263 HydrophobicContact CD1-CG2 4.12Å; Y228-I263 HydrophobicContact CD2-CD1 4.14Å; Y228-I263 HydrophobicContact CE1-CB 4.34Å; Y228-I263 HydrophobicContact CE1-CD1 4.18Å; Y228-I263 HydrophobicContact CE1-CG2 3.94Å; Y228-I263 HydrophobicContact CE2-CD1 3.52Å; Y228-I263 HydrophobicContact CG-CB 4.32Å; V229-I263 PolarHBondContact N-O 2.88Å; I263-G282 WeakPolarHBondContact CA-O 3.48Å; I263-Y284 HydrophobicContact CG2-CD1 3.77Å; I263-Y284 HydrophobicContact CG2-CG 4.38Å; I263-Y316 HydrophobicContact CD1-CD2 4Å; I263-Y316 HydrophobicContact CD1-CE2 3.49Å; I263-Y316 VanDerWaalsContact CD1-CE2 3.49Å; I263-Y316 HydrophobicContact CG1-CE2 4.49Å; I263-Y316 HydrophobicContact CG2-CD2 4.28Å
264	G	98.6	Very high	96.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	157	-177.1	0	0	0	0	0	113.2	G282 G283 Y284	G264-G282 PolarHBondContact N-O 3.32Å; G264-G283 CarbonylContact O-C 3.52Å; G264-G283 VanDerWaalsContact O-CA 3.27Å; G264-G283 WeakPolarHBondContact O-CA 3.27Å; G264-Y284 VanDerWaalsContact C-CE1 3.45Å; G264-Y284 WeakPolarHBondContact O-CD1 3.45Å; G264-Y284 PolarHBondContact O-N 2.68Å
265	L	98.5	Very high	96.5	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	132.1	-179.8	-178	60.8	0	0	0	111	Y230 S232 Y233 L267 Y284	Y230-L265 HydrophobicContact CD2-CD2 4Å; Y230-L265 HydrophobicContact CE2-CD2 3.87Å; S232-L265 PolarHBondContact OG-N 3.19Å; Y233-L265 HydrophobicContact CD1-CD2 4.29Å; Y233-L265 HydrophobicContact CE1-CD2 3.85Å; L265-L267 HydrophobicContact CD2-CD2 4.26Å; L265-L267 HydrophobicContact CG-CD2 4.26Å; L265-Y284 HydrophobicContact CB-CE1 3.83Å; L265-Y284 HydrophobicContact CD1-CD2 4.32Å; L265-Y284 HydrophobicContact CD1-CE1 4.26Å; L265-Y284 HydrophobicContact CD1-CE2 3.87Å
266	L	98.3	Very high	96.9	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-96.3	130.2	174	-58.8	169.7	0	0	0	109.7	D271 L275 Y284 A295 F315	L266-D271 HydrophobicContact CB-CB 4.41Å; L266-D271 HydrophobicContact CD2-CB 3.47Å; L266-D271 VanDerWaalsContact CD2-CB 3.47Å; L266-L275 HydrophobicContact CD2-CD1 3.51Å; L266-L275 HydrophobicContact CD2-CG 4.31Å; L266-L275 HydrophobicContact CG-CD1 4.27Å; L266-Y284 WeakPolarHBondContact CB-O 3.45Å; L266-Y284 PolarHBondContact N-O 3.26Å; L266-A295 HydrophobicContact CB-CB 3.76Å; L266-A295 WeakPolarHBondContact O-CB 3.49Å; L266-F315 HydrophobicContact CD1-CD2 3.84Å; L266-F315 HydrophobicContact CD1-CE2 3.72Å
267	L	97	Very high	97.1	Very high	33 Å²	33	42 Å²	42	17%	0.173	20%	0.199	C	C	.	.			trans	-119.9	-34.6	174.2	-63.8	-175.3	0	0	0	112.7	Y233 L265 D271 F287 S293 K294 A295	Y233-L267 HydrophobicContact CD1-CD1 3.48Å; Y233-L267 VanDerWaalsContact CD1-CD1 3.48Å; Y233-L267 HydrophobicContact CD1-CG 4.05Å; Y233-L267 HydrophobicContact CD2-CD1 4.27Å; Y233-L267 HydrophobicContact CE1-CD1 3.47Å; Y233-L267 VanDerWaalsContact CE1-CD1 3.47Å; Y233-L267 HydrophobicContact CE1-CD2 4.43Å; Y233-L267 HydrophobicContact CE1-CG 4.16Å; Y233-L267 HydrophobicContact CE2-CD1 4.25Å; Y233-L267 HydrophobicContact CG-CD1 3.9Å; L265-L267 HydrophobicContact CD2-CD2 4.26Å; L265-L267 HydrophobicContact CG-CD2 4.26Å; L267-D271 WeakPolarHBondContact CA-OD2 3.31Å; L267-D271 PolarHBondContact N-OD2 2.82Å; L267-F287 HydrophobicContact CD2-CD2 4.39Å; L267-F287 HydrophobicContact CD2-CE2 3.7Å; L267-S293 WeakPolarHBondContact O-CB 3.48Å; L267-K294 PolarHBondContact O-N 3.33Å; L267-A295 VanDerWaalsContact C-CB 3.45Å; L267-A295 PolarHBondContact O-N 3.5Å
268	E	96.6	Very high	97.2	Very high	80 Å²	80	36.2 Å²	36.2	37%	0.374	17%	0.17	S	C	.	.	S	Bend	trans	-120.4	163.6	-172.5	-65.4	-66.9	151.9	0	0	112.1	N270 D271 K294	E268-N270 PolarHBondContact O-N 2.89Å; E268-D271 PolarHBondContact N-OD2 2.93Å; E268-D271 PolarHBondContact O-N 2.85Å; E268-K294 IonicContact OE1-NZ 3.67Å; E268-K294 WeakPolarHBondContact OE2-CD 3.27Å; E268-K294 WeakPolarHBondContact OE2-CE 3.43Å; E268-K294 IonicContact OE2-NZ 2.6Å; E268-K294 PolarHBondContact OE2-NZ 3.35Å
269	I	94.9	Very high	97.2	Very high	63 Å²	63	35.6 Å²	35.6	32%	0.323	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-25	-175.1	-166.5	165.2	0	0	0	114	Y303	I269-Y303 HydrophobicContact CB-CE1 4.48Å; I269-Y303 HydrophobicContact CD1-CD1 4.02Å; I269-Y303 HydrophobicContact CD1-CE1 3.69Å; I269-Y303 HydrophobicContact CG1-CD1 3.69Å; I269-Y303 HydrophobicContact CG1-CE1 3.13Å
270	N	95.4	Very high	97.3	Very high	93 Å²	93	34.9 Å²	34.9	50%	0.497	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	4.1	-176.7	-66.7	-38.7	0	0	0	113.2	E268 C272 R273 V274	E268-N270 PolarHBondContact O-N 2.89Å; N270-C272 VanDerWaalsContact C-N 3.3Å; N270-C272 PolarHBondContact O-N 3.09Å; N270-R273 WeakPolarHBondContact O-CB 3.4Å; N270-R273 PolarHBondContact O-N 2.95Å; N270-V274 PolarHBondContact O-N 2.92Å
271	D	98.1	Very high	97.2	Very high	30 Å²	30	36 Å²	36	16%	0.16	17%	0.173	C	C	.	.	H	α-helix	trans	-68.9	-26.4	-170.1	-74.2	-8.7	0	0	0	113.2	L266 L267 E268 R273 V274 L275	L266-D271 HydrophobicContact CB-CB 4.41Å; L266-D271 HydrophobicContact CD2-CB 3.47Å; L266-D271 VanDerWaalsContact CD2-CB 3.47Å; L267-D271 WeakPolarHBondContact CA-OD2 3.31Å; L267-D271 PolarHBondContact N-OD2 2.82Å; E268-D271 PolarHBondContact N-OD2 2.93Å; E268-D271 PolarHBondContact O-N 2.85Å; D271-R273 PolarHBondContact O-N 3.44Å; D271-V274 PolarHBondContact O-N 3.22Å; D271-V274 VanDerWaalsContact O-N 3.12Å; D271-L275 WeakPolarHBondContact O-CB 3.31Å; D271-L275 WeakPolarHBondContact O-CG 3.19Å; D271-L275 PolarHBondContact O-N 2.6Å
272	C	98.2	Very high	97.3	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.007	17%	0.171	C	C	.	.	H	α-helix	trans	-55.3	-41.5	170.9	-66.7	0	0	0	0	111	N270 Y276 E307 C308 Y311 L313	N270-C272 VanDerWaalsContact C-N 3.3Å; N270-C272 PolarHBondContact O-N 3.09Å; C272-Y276 WeakPolarHBondContact O-CB 3.45Å; C272-Y276 PolarHBondContact O-N 3.08Å; C272-E307 HydrophobicContact CB-CB 4.31Å; C272-C308 HydrophobicContact CB-CB 4.05Å; C272-C308 WeakPolarHBondContact CB-SG 3.11Å; C272-C308 VanDerWaalsContact SG-CA 3.51Å; C272-C308 WeakPolarHBondContact SG-CB 3.33Å; C272-C308 PolarHBondContact SG-N 3.2Å; C272-C308 VanDerWaalsContact SG-N 3.42Å; C272-C308 CovalentContact SG-SG 2.06Å; C272-C308 PolarHBondContact SG-SG 3.21Å; C272-Y311 HydrophobicContact CB-CD2 4.34Å; C272-L313 HydrophobicContact CB-CD1 4.32Å; C272-L313 WeakPolarHBondContact O-CD1 3.36Å
273	R	98	Very high	97.3	Very high	124 Å²	124	35.5 Å²	35.5	47%	0.468	17%	0.171	S	C	.	.	H	α-helix	trans	-65.9	-45.5	175.8	-179.5	-178.3	169.8	-170	-7.3	111.6	N270 D271 Y276 E277 Y311	N270-R273 WeakPolarHBondContact O-CB 3.4Å; N270-R273 PolarHBondContact O-N 2.95Å; D271-R273 PolarHBondContact O-N 3.44Å; R273-Y276 PolarHBondContact O-N 3.14Å; R273-E277 HydrophobicContact CG-CG 4.35Å; R273-E277 IonicContact CZ-OE1 3.62Å; R273-E277 VanDerWaalsContact CZ-OE1 3.28Å; R273-E277 IonicContact NE-OE1 2.87Å; R273-E277 PolarHBondContact NE-OE1 3Å; R273-E277 IonicContact NH2-OE1 3.52Å; R273-E277 PolarHBondContact NH2-OE1 3.07Å; R273-E277 WeakPolarHBondContact O-CB 3.46Å; R273-E277 WeakPolarHBondContact O-CG 3.36Å; R273-E277 PolarHBondContact O-N 3.44Å; R273-Y311 HydrophobicContact CB-CD2 4.29Å; R273-Y311 HydrophobicContact CB-CE1 4.5Å; R273-Y311 HydrophobicContact CB-CE2 3.61Å; R273-Y311 HydrophobicContact CG-CE1 4.23Å; R273-Y311 HydrophobicContact CG-CE2 4.16Å
274	V	98.1	Very high	97.3	Very high	51 Å²	51	35.5 Å²	35.5	31%	0.309	17%	0.171	S	C	.	.	H	α-helix	trans	-63	-44.3	-178.7	178.5	0	0	0	0	110.9	P237 N270 D271 E277 S278	P237-V274 HydrophobicContact CB-CG1 4.19Å; P237-V274 HydrophobicContact CG-CG1 3.61Å; N270-V274 PolarHBondContact O-N 2.92Å; D271-V274 PolarHBondContact O-N 3.22Å; D271-V274 VanDerWaalsContact O-N 3.12Å; V274-E277 PolarHBondContact O-N 3.39Å; V274-S278 VanDerWaalsContact O-CB 3.24Å; V274-S278 WeakPolarHBondContact O-CB 3.39Å; V274-S278 PolarHBondContact O-N 2.93Å; V274-S278 PolarHBondContact O-OG 2.89Å
275	L	98.2	Very high	97.3	Very high	12 Å²	12	35.5 Å²	35.5	6%	0.063	17%	0.171	C	C	.	.	H	α-helix	trans	-61.2	-44.8	175.5	-71.8	-172.9	0	0	0	111.3	L266 D271 S278 G279 F280 L313	L266-L275 HydrophobicContact CD2-CD1 3.51Å; L266-L275 HydrophobicContact CD2-CG 4.31Å; L266-L275 HydrophobicContact CG-CD1 4.27Å; D271-L275 WeakPolarHBondContact O-CB 3.31Å; D271-L275 WeakPolarHBondContact O-CG 3.19Å; D271-L275 PolarHBondContact O-N 2.6Å; L275-S278 CarbonylContact O-C 3.48Å; L275-S278 WeakPolarHBondContact O-CB 3.42Å; L275-S278 PolarHBondContact O-N 3.13Å; L275-G279 PolarHBondContact O-N 3.07Å; L275-F280 HydrophobicContact CB-CB 3.96Å; L275-F280 HydrophobicContact CB-CD2 4.32Å; L275-F280 HydrophobicContact CB-CG 4.28Å; L275-F280 HydrophobicContact CD2-CB 4.42Å; L275-F280 HydrophobicContact CD2-CD1 4.21Å; L275-F280 HydrophobicContact CD2-CD2 3.65Å; L275-F280 HydrophobicContact CD2-CE1 4.39Å; L275-F280 HydrophobicContact CD2-CE2 3.84Å; L275-F280 HydrophobicContact CD2-CG 3.84Å; L275-F280 HydrophobicContact CD2-CZ 4.21Å; L275-F280 WeakPolarHBondContact O-CB 3.3Å; L275-F280 PolarHBondContact O-N 2.89Å; L275-L313 HydrophobicContact CB-CD1 4.04Å
276	Y	97	Very high	97.2	Very high	121 Å²	121	35.7 Å²	35.7	48%	0.475	17%	0.172	S	C	.	.	H	α-helix	trans	-60.7	-50.6	175.5	168.4	-100.2	0	0	0	112.4	C272 R273 S278 G279 Y311	C272-Y276 WeakPolarHBondContact O-CB 3.45Å; C272-Y276 PolarHBondContact O-N 3.08Å; R273-Y276 PolarHBondContact O-N 3.14Å; Y276-S278 PolarHBondContact O-N 3.12Å; Y276-G279 PolarHBondContact O-N 3.04Å; Y276-Y311 AromaticContact CD1-CD1 3.49Å; Y276-Y311 HydrophobicContact CD1-CD1 3.49Å; Y276-Y311 VanDerWaalsContact CD1-CD1 3.49Å; Y276-Y311 HydrophobicContact CD1-CE1 4.06Å; Y276-Y311 HydrophobicContact CD1-CG 4.26Å; Y276-Y311 HydrophobicContact CD2-CD1 4.35Å; Y276-Y311 VanDerWaalsContact CD2-O 3.26Å; Y276-Y311 WeakPolarHBondContact CD2-O 3.38Å; Y276-Y311 AromaticContact CE1-CD1 3.97Å; Y276-Y311 HydrophobicContact CE1-CD1 3.97Å; Y276-Y311 HydrophobicContact CE1-CE1 4.45Å; Y276-Y311 AromaticContact CG-CD1 3.71Å; Y276-Y311 HydrophobicContact CG-CD1 3.71Å; Y276-Y311 HydrophobicContact CG-CG 4.04Å
277	E	96.7	Very high	97	Very high	86 Å²	86	37.9 Å²	37.9	40%	0.402	18%	0.181	S	C	.	.	H	α-helix	trans	-61.9	-27.1	178.2	-72.4	178.5	175.6	0	0	112	Q245 R273 V274	Q245-E277 PolarHBondContact NE2-O 3.04Å; R273-E277 HydrophobicContact CG-CG 4.35Å; R273-E277 IonicContact CZ-OE1 3.62Å; R273-E277 VanDerWaalsContact CZ-OE1 3.28Å; R273-E277 IonicContact NE-OE1 2.87Å; R273-E277 PolarHBondContact NE-OE1 3Å; R273-E277 IonicContact NH2-OE1 3.52Å; R273-E277 PolarHBondContact NH2-OE1 3.07Å; R273-E277 WeakPolarHBondContact O-CB 3.46Å; R273-E277 WeakPolarHBondContact O-CG 3.36Å; R273-E277 PolarHBondContact O-N 3.44Å; V274-E277 PolarHBondContact O-N 3.39Å
278	S	97	Very high	96.7	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.014	17%	0.174	C	C	.	.	H	α-helix	trans	-81.9	-11.5	174.5	-58.1	0	0	0	0	113.9	P237 W240 K241 L244 V274 L275 Y276	P237-S278 WeakPolarHBondContact CA-OG 3.32Å; P237-S278 WeakPolarHBondContact CB-OG 3.38Å; W240-S278 CarbonylContact C-O 3.58Å; W240-S278 VanDerWaalsContact C-O 3.3Å; K241-S278 WeakPolarHBondContact CA-O 3.47Å; K241-S278 PolarHBondContact N-O 3.37Å; L244-S278 WeakPolarHBondContact CB-O 3.27Å; V274-S278 VanDerWaalsContact O-CB 3.24Å; V274-S278 WeakPolarHBondContact O-CB 3.39Å; V274-S278 PolarHBondContact O-N 2.93Å; V274-S278 PolarHBondContact O-OG 2.89Å; L275-S278 CarbonylContact O-C 3.48Å; L275-S278 WeakPolarHBondContact O-CB 3.42Å; L275-S278 PolarHBondContact O-N 3.13Å; Y276-S278 PolarHBondContact O-N 3.12Å
279	G	95.6	Very high	95.7	Very high	14 Å²	14	32.9 Å²	32.9	14%	0.144	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.1	12.9	178.5	0	0	0	0	0	116.1	L244 R254 L275 Y276	L244-G279 WeakPolarHBondContact CB-O 3.24Å; R254-G279 PolarHBondContact NH2-O 2.82Å; L275-G279 PolarHBondContact O-N 3.07Å; Y276-G279 PolarHBondContact O-N 3.04Å
280	F	97.4	Very high	94.8	Very high	7 Å²	7	34 Å²	34	3%	0.031	16%	0.162	C	C	.	.			trans	-66	161.5	173.8	-78.2	-101	0	0	0	112.3	W240 L244 I262 L275 L313	W240-F280 HydrophobicContact CB-CE2 3.95Å; W240-F280 AromaticContact CD1-CE2 3.91Å; W240-F280 AromaticContact CD2-CE2 3.57Å; W240-F280 HydrophobicContact CD2-CE2 3.57Å; W240-F280 AromaticContact CD2-CZ 3.46Å; W240-F280 HydrophobicContact CD2-CZ 3.46Å; W240-F280 VanDerWaalsContact CD2-CZ 3.46Å; W240-F280 AromaticContact CE2-CZ 3.53Å; W240-F280 AromaticContact CE3-CE2 3.96Å; W240-F280 HydrophobicContact CE3-CE2 3.96Å; W240-F280 AromaticContact CE3-CZ 3.71Å; W240-F280 HydrophobicContact CE3-CZ 3.71Å; W240-F280 AromaticContact CG-CE2 3.55Å; W240-F280 HydrophobicContact CG-CE2 3.55Å; W240-F280 AromaticContact CG-CZ 3.94Å; W240-F280 HydrophobicContact CG-CZ 3.94Å; W240-F280 HydrophobicContact CH2-CZ 4.12Å; W240-F280 AromaticContact CZ2-CZ 3.88Å; W240-F280 HydrophobicContact CZ2-CZ 3.88Å; W240-F280 HydrophobicContact CZ3-CZ 4.03Å; W240-F280 AromaticContact NE1-CZ 3.91Å; L244-F280 HydrophobicContact CD1-CD1 4.26Å; L244-F280 HydrophobicContact CD1-CD2 3.67Å; L244-F280 HydrophobicContact CD1-CE1 4.35Å; L244-F280 HydrophobicContact CD1-CE2 3.79Å; L244-F280 HydrophobicContact CD1-CG 3.92Å; L244-F280 HydrophobicContact CD1-CZ 4.13Å; I262-F280 HydrophobicContact CB-CD1 4.44Å; I262-F280 HydrophobicContact CD1-CE1 4.38Å; I262-F280 HydrophobicContact CG1-CD1 4.25Å; I262-F280 HydrophobicContact CG1-CE1 4.1Å; I262-F280 HydrophobicContact CG2-CB 4.41Å; I262-F280 HydrophobicContact CG2-CD1 3.74Å; I262-F280 HydrophobicContact CG2-CE1 4.28Å; I262-F280 HydrophobicContact CG2-CG 4.19Å; L275-F280 HydrophobicContact CB-CB 3.96Å; L275-F280 HydrophobicContact CB-CD2 4.32Å; L275-F280 HydrophobicContact CB-CG 4.28Å; L275-F280 HydrophobicContact CD2-CB 4.42Å; L275-F280 HydrophobicContact CD2-CD1 4.21Å; L275-F280 HydrophobicContact CD2-CD2 3.65Å; L275-F280 HydrophobicContact CD2-CE1 4.39Å; L275-F280 HydrophobicContact CD2-CE2 3.84Å; L275-F280 HydrophobicContact CD2-CG 3.84Å; L275-F280 HydrophobicContact CD2-CZ 4.21Å; L275-F280 WeakPolarHBondContact O-CB 3.3Å; L275-F280 PolarHBondContact O-N 2.89Å; F280-L313 WeakPolarHBondContact O-CD2 3.16Å
281	N	95.7	Very high	93.9	Very high	25 Å²	25	32.4 Å²	32.4	13%	0.134	17%	0.167	C	C	.	.	S	Bend	trans	-105.1	-9.1	177.3	-54.1	104.2	0	0	0	113.3	R254 H261 I262 T314	R254-N281 PolarHBondContact NH1-OD1 2.88Å; R254-N281 PolarHBondContact NH2-OD1 3.1Å; H261-N281 WeakPolarHBondContact CE1-CB 3.49Å; H261-N281 VanDerWaalsContact ND1-CB 3.35Å; H261-N281 WeakPolarHBondContact ND1-CB 3.4Å; I262-N281 PolarHBondContact N-OD1 2.89Å; I262-N281 PolarHBondContact O-N 3.1Å; N281-T314 PolarHBondContact O-N 3.26Å; N281-T314 PolarHBondContact O-OG1 2.79Å
282	G	97	Very high	93.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167	166.8	177.7	0	0	0	0	0	114	I262 I263 G264 T314	I262-G282 PolarHBondContact O-N 2.77Å; I263-G282 WeakPolarHBondContact CA-O 3.48Å; G264-G282 PolarHBondContact N-O 3.32Å; G282-T314 CarbonylContact C-O 3.51Å; G282-T314 WeakPolarHBondContact CA-O 3.41Å; G282-T314 VanDerWaalsContact CA-OG1 3.31Å; G282-T314 WeakPolarHBondContact CA-OG1 3.44Å
283	G	98.4	Very high	93	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	146.1	172.3	0	0	0	0	0	111.5	G264 T314 F315 Y316	G264-G283 CarbonylContact O-C 3.52Å; G264-G283 VanDerWaalsContact O-CA 3.27Å; G264-G283 WeakPolarHBondContact O-CA 3.27Å; G283-T314 PolarHBondContact N-O 3.34Å; G283-F315 WeakPolarHBondContact O-CA 3.45Å; G283-Y316 PolarHBondContact O-N 3.21Å
284	Y	98.7	Very high	92.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	155.2	171	75.6	-68.5	0	0	0	110.9	F56 H180 Y228 V229 Y230 I263 G264 L265 L266 Y286 Y316	F56-Y284 HydrophobicContact CE1-CD2 4.4Å; F56-Y284 HydrophobicContact CE1-CE2 4.03Å; F56-Y284 AromaticContact CZ-CD2 3.7Å; F56-Y284 HydrophobicContact CZ-CD2 3.7Å; F56-Y284 AromaticContact CZ-CE2 3.78Å; F56-Y284 HydrophobicContact CZ-CE2 3.78Å; H180-Y284 AromaticContact NE2-CE2 3.9Å; H180-Y284 AromaticContact NE2-CZ 3.6Å; H180-Y284 PolarHBondContact NE2-OH 3Å; Y228-Y284 AromaticContact CD1-CD1 3.69Å; Y228-Y284 HydrophobicContact CD1-CD1 3.69Å; Y228-Y284 AromaticContact CD1-CD2 3.93Å; Y228-Y284 HydrophobicContact CD1-CD2 3.93Å; Y228-Y284 AromaticContact CD1-CE1 3.95Å; Y228-Y284 HydrophobicContact CD1-CE1 3.95Å; Y228-Y284 HydrophobicContact CD1-CE2 4.18Å; Y228-Y284 AromaticContact CD1-CG 3.71Å; Y228-Y284 HydrophobicContact CD1-CG 3.71Å; Y228-Y284 HydrophobicContact CE1-CD1 4.11Å; Y228-Y284 HydrophobicContact CE1-CD2 4.15Å; Y228-Y284 AromaticContact CE1-CG 3.79Å; Y228-Y284 HydrophobicContact CE1-CG 3.79Å; V229-Y284 PolarHBondContact O-OH 3.49Å; Y230-Y284 VanDerWaalsContact CA-OH 3.31Å; Y230-Y284 WeakPolarHBondContact CA-OH 3.31Å; Y230-Y284 WeakPolarHBondContact CD2-OH 3.11Å; I263-Y284 HydrophobicContact CG2-CD1 3.77Å; I263-Y284 HydrophobicContact CG2-CG 4.38Å; G264-Y284 VanDerWaalsContact C-CE1 3.45Å; G264-Y284 WeakPolarHBondContact O-CD1 3.45Å; G264-Y284 PolarHBondContact O-N 2.68Å; L265-Y284 HydrophobicContact CB-CE1 3.83Å; L265-Y284 HydrophobicContact CD1-CD2 4.32Å; L265-Y284 HydrophobicContact CD1-CE1 4.26Å; L265-Y284 HydrophobicContact CD1-CE2 3.87Å; L266-Y284 WeakPolarHBondContact CB-O 3.45Å; L266-Y284 PolarHBondContact N-O 3.26Å; Y284-Y286 HydrophobicContact CE2-CD2 4.24Å; Y284-Y316 WeakPolarHBondContact CA-O 3.49Å; Y284-Y316 VanDerWaalsContact CB-O 3.3Å; Y284-Y316 WeakPolarHBondContact CB-O 3.45Å
285	T	97.9	Very high	92.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.171	C	C	.	.			trans	-97.7	164.3	165.9	69.8	0	0	0	0	108.7	A295 F315 Y316 S318	T285-A295 HydrophobicContact CG2-CB 4.22Å; T285-A295 VanDerWaalsContact CG2-O 3.22Å; T285-A295 WeakPolarHBondContact CG2-O 3.42Å; T285-F315 HydrophobicContact CG2-CE2 4.28Å; T285-Y316 PolarHBondContact N-O 2.78Å; T285-Y316 VanDerWaalsContact N-O 3.17Å; T285-S318 WeakPolarHBondContact O-CB 3.41Å; T285-S318 PolarHBondContact O-OG 3.43Å; T285-S318 PolarHBondContact OG1-N 2.82Å
286	Y	96.9	Very high	92.6	Very high	8 Å²	8	32.2 Å²	32.2	3%	0.031	17%	0.168	C	C	.	.			trans	-134.3	-48.1	-178.3	-179.4	-96.5	0	0	0	113.1	F56 Y58 Y230 Y284 V288 V363	F56-Y286 HydrophobicContact CD1-CD2 4.22Å; F56-Y286 AromaticContact CD1-CE2 3.93Å; F56-Y286 HydrophobicContact CD1-CE2 3.93Å; F56-Y286 AromaticContact CE1-CD2 3.96Å; F56-Y286 HydrophobicContact CE1-CD2 3.96Å; F56-Y286 HydrophobicContact CE1-CE2 4.11Å; F56-Y286 HydrophobicContact CG-CE2 4.29Å; F56-Y286 HydrophobicContact CZ-CD2 4.13Å; Y58-Y286 WeakPolarHBondContact OH-CE2 3.38Å; Y58-Y286 PolarHBondContact OH-OH 3Å; Y230-Y286 HydrophobicContact CD2-CG 4.47Å; Y230-Y286 AromaticContact CE2-CD1 3.59Å; Y230-Y286 HydrophobicContact CE2-CD1 3.59Å; Y230-Y286 HydrophobicContact CE2-CD2 4.13Å; Y230-Y286 AromaticContact CE2-CE1 3.87Å; Y230-Y286 HydrophobicContact CE2-CE1 3.87Å; Y230-Y286 HydrophobicContact CE2-CE2 4.35Å; Y230-Y286 AromaticContact CE2-CG 3.72Å; Y230-Y286 HydrophobicContact CE2-CG 3.72Å; Y230-Y286 AromaticContact CZ-CD1 3.96Å; Y230-Y286 AromaticContact CZ-CE1 3.89Å; Y230-Y286 WeakPolarHBondContact OH-CE1 3.33Å; Y284-Y286 HydrophobicContact CE2-CD2 4.24Å; Y286-V288 PolarHBondContact O-N 3.39Å; Y286-V363 HydrophobicContact CD2-CG2 3.8Å; Y286-V363 HydrophobicContact CE2-CG1 4.38Å; Y286-V363 HydrophobicContact CE2-CG2 3.95Å; Y286-V363 HydrophobicContact CG-CG2 4.4Å; Y286-V363 WeakPolarHBondContact O-CG2 3.25Å
287	F	95.3	Very high	92.5	Very high	46 Å²	46	27.4 Å²	27.4	20%	0.202	15%	0.152	C	C	.	.			trans	-66.2	132.5	-171.3	-56.1	-70.5	0	0	0	112.7	L267 I292 S296	L267-F287 HydrophobicContact CD2-CD2 4.39Å; L267-F287 HydrophobicContact CD2-CE2 3.7Å; F287-I292 HydrophobicContact CB-CB 3.8Å; F287-I292 HydrophobicContact CB-CG1 4.31Å; F287-I292 HydrophobicContact CB-CG2 3.61Å; F287-I292 HydrophobicContact CD1-CG2 3.89Å; F287-I292 HydrophobicContact CD2-CG2 3.9Å; F287-I292 HydrophobicContact CG-CB 4.23Å; F287-I292 HydrophobicContact CG-CG2 3.5Å; F287-S296 WeakPolarHBondContact O-CB 3.44Å
288	V	90.8	Very high	92.4	Very high	5 Å²	5	23.6 Å²	23.6	3%	0.03	14%	0.135	C	C	.	.			trans	-86.3	119.7	172.2	-178.2	0	0	0	0	108.2	Y286 L348 V363 T372	Y286-V288 PolarHBondContact O-N 3.39Å; V288-L348 HydrophobicContact CG1-CD1 4.18Å; V288-V363 HydrophobicContact CG2-CB 3.81Å; V288-V363 HydrophobicContact CG2-CG1 3.85Å; V288-T372 HydrophobicContact CG2-CG2 4.22Å
289	G	74	Confident	92.2	Very high	3 Å²	3	28.8 Å²	28.8	3%	0.031	16%	0.163	C	C	.	.	S	Bend	trans	128.8	154.2	176.7	0	0	0	0	0	113.1	E337	G289-E337 WeakPolarHBondContact CA-OE2 3.4Å
290	H	75.6	Confident	92.2	Very high	87 Å²	87	30.1 Å²	30.1	40%	0.403	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	130.9	179	-82.3	-103.3	0	0	0	111.2	I292 D299	H290-I292 PolarHBondContact O-N 3.18Å; H290-D299 IonicContact CE1-OD2 2.69Å; H290-D299 IonicContact ND1-OD2 2.71Å
291	G	77	Confident	92.2	Very high	59 Å²	59	29.9 Å²	29.9	61%	0.608	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.1	3.8	168.5	0	0	0	0	0	117.1	S297	G291-S297 PolarHBondContact N-OG 3.3Å
292	I	84.8	Confident	92.3	Very high	80 Å²	80	32.8 Å²	32.8	41%	0.41	18%	0.18	S	C	.	.	S	Bend	trans	-63.6	-44.8	172.7	-56.2	-58.8	0	0	0	110.8	F287 H290 A335	F287-I292 HydrophobicContact CB-CB 3.8Å; F287-I292 HydrophobicContact CB-CG1 4.31Å; F287-I292 HydrophobicContact CB-CG2 3.61Å; F287-I292 HydrophobicContact CD1-CG2 3.89Å; F287-I292 HydrophobicContact CD2-CG2 3.9Å; F287-I292 HydrophobicContact CG-CB 4.23Å; F287-I292 HydrophobicContact CG-CG2 3.5Å; H290-I292 PolarHBondContact O-N 3.18Å; I292-A335 HydrophobicContact CD1-CB 4.03Å
293	S	92.1	Very high	92.3	Very high	13 Å²	13	36.8 Å²	36.8	9%	0.091	20%	0.196	C	C	.	.	S	Bend	trans	-134	158.7	162.1	75.7	0	0	0	0	108.7	L267 A295 S296 S297	L267-S293 WeakPolarHBondContact O-CB 3.48Å; S293-A295 VanDerWaalsContact C-N 3.26Å; S293-A295 PolarHBondContact O-N 2.65Å; S293-S296 PolarHBondContact O-N 3.46Å; S293-S296 WeakPolarHBondContact OG-CB 3.23Å; S293-S296 PolarHBondContact OG-N 3.38Å; S293-S296 VanDerWaalsContact OG-N 3.11Å; S293-S296 PolarHBondContact OG-OG 3.37Å; S293-S297 PolarHBondContact O-N 2.86Å; S293-S297 PolarHBondContact O-OG 3.44Å
294	K	94.6	Very high	92.3	Very high	119 Å²	119	36.8 Å²	36.8	52%	0.517	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-43.5	176.2	-63.4	-167.8	-165.6	134.8	0	110.1	L267 E268 S296 S297 I300	L267-K294 PolarHBondContact O-N 3.33Å; E268-K294 IonicContact OE1-NZ 3.67Å; E268-K294 WeakPolarHBondContact OE2-CD 3.27Å; E268-K294 WeakPolarHBondContact OE2-CE 3.43Å; E268-K294 IonicContact OE2-NZ 2.6Å; E268-K294 PolarHBondContact OE2-NZ 3.35Å; K294-S296 VanDerWaalsContact C-N 3.34Å; K294-S296 PolarHBondContact O-N 3.49Å; K294-S297 VanDerWaalsContact O-CB 3.27Å; K294-S297 WeakPolarHBondContact O-CB 3.33Å; K294-S297 PolarHBondContact O-N 3.41Å; K294-S297 VanDerWaalsContact O-N 3.13Å; K294-I300 WeakPolarHBondContact O-CD1 3.27Å; K294-I300 WeakPolarHBondContact O-CG1 3.39Å
295	A	96.4	Very high	92.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-34.4	-179.2	0	0	0	0	0	114.1	L266 L267 T285 S293 S297 W301 L304	L266-A295 HydrophobicContact CB-CB 3.76Å; L266-A295 WeakPolarHBondContact O-CB 3.49Å; L267-A295 VanDerWaalsContact C-CB 3.45Å; L267-A295 PolarHBondContact O-N 3.5Å; T285-A295 HydrophobicContact CG2-CB 4.22Å; T285-A295 VanDerWaalsContact CG2-O 3.22Å; T285-A295 WeakPolarHBondContact CG2-O 3.42Å; S293-A295 VanDerWaalsContact C-N 3.26Å; S293-A295 PolarHBondContact O-N 2.65Å; A295-S297 PolarHBondContact O-N 3.22Å; A295-W301 PolarHBondContact O-NE1 3.44Å; A295-L304 HydrophobicContact CB-CD1 3.86Å
296	S	95	Very high	92.3	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.014	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-9.4	177.7	-51.6	0	0	0	0	113	F287 S293 K294 P298	F287-S296 WeakPolarHBondContact O-CB 3.44Å; S293-S296 PolarHBondContact O-N 3.46Å; S293-S296 WeakPolarHBondContact OG-CB 3.23Å; S293-S296 PolarHBondContact OG-N 3.38Å; S293-S296 VanDerWaalsContact OG-N 3.11Å; S293-S296 PolarHBondContact OG-OG 3.37Å; K294-S296 VanDerWaalsContact C-N 3.34Å; K294-S296 PolarHBondContact O-N 3.49Å; S296-P298 WeakPolarHBondContact O-CD 3.42Å
297	S	95.5	Very high	92.4	Very high	20 Å²	20	44.7 Å²	44.7	14%	0.14	23%	0.234	C	C	.	.			trans	-73.4	115.1	176.2	-60	0	0	0	0	110.4	G291 S293 K294 A295 D299 I300	G291-S297 PolarHBondContact N-OG 3.3Å; S293-S297 PolarHBondContact O-N 2.86Å; S293-S297 PolarHBondContact O-OG 3.44Å; K294-S297 VanDerWaalsContact O-CB 3.27Å; K294-S297 WeakPolarHBondContact O-CB 3.33Å; K294-S297 PolarHBondContact O-N 3.41Å; K294-S297 VanDerWaalsContact O-N 3.13Å; A295-S297 PolarHBondContact O-N 3.22Å; S297-D299 PolarHBondContact O-N 2.95Å; S297-I300 WeakPolarHBondContact O-CG1 3.48Å; S297-I300 PolarHBondContact O-N 3.42Å; S297-I300 VanDerWaalsContact O-N 3.15Å
298	P	94.8	Very high	92.5	Very high	6 Å²	6	42.5 Å²	42.5	4%	0.039	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-60.4	-23	-172.8	-26	34.3	0	0	0	115.3	S296 I300 W301 L348 K351	S296-P298 WeakPolarHBondContact O-CD 3.42Å; P298-I300 PolarHBondContact O-N 3.16Å; P298-W301 HydrophobicContact CB-CD2 4.11Å; P298-W301 HydrophobicContact CB-CE3 4.01Å; P298-W301 HydrophobicContact CB-CH2 4.24Å; P298-W301 HydrophobicContact CB-CZ2 4.31Å; P298-W301 HydrophobicContact CB-CZ3 4.09Å; P298-W301 HydrophobicContact CG-CH2 4.04Å; P298-W301 HydrophobicContact CG-CZ2 4.03Å; P298-W301 HydrophobicContact CG-CZ3 4.37Å; P298-W301 PolarHBondContact O-N 3.1Å; P298-L348 HydrophobicContact CB-CD2 4.33Å; P298-L348 HydrophobicContact CG-CD2 3.28Å; P298-K351 HydrophobicContact CB-CB 4.03Å; P298-K351 HydrophobicContact CB-CD 3.38Å; P298-K351 HydrophobicContact CB-CG 4.36Å; P298-K351 HydrophobicContact CG-CD 4.43Å
299	D	93.8	Very high	92.8	Very high	110 Å²	110	46.8 Å²	46.8	59%	0.588	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-66.6	-17.8	-178.3	-56.5	-36.9	0	0	0	112.8	H290 S297 K351	H290-D299 IonicContact CE1-OD2 2.69Å; H290-D299 IonicContact ND1-OD2 2.71Å; S297-D299 PolarHBondContact O-N 2.95Å; D299-K351 IonicContact OD1-NZ 2.91Å; D299-K351 PolarHBondContact OD1-NZ 2.77Å
300	I	95.1	Very high	93.8	Very high	43 Å²	43	52.8 Å²	52.8	22%	0.221	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-105.3	1.9	177	74.4	158.5	0	0	0	113.8	K294 S297 P298 N302 Y303 L304	K294-I300 WeakPolarHBondContact O-CD1 3.27Å; K294-I300 WeakPolarHBondContact O-CG1 3.39Å; S297-I300 WeakPolarHBondContact O-CG1 3.48Å; S297-I300 PolarHBondContact O-N 3.42Å; S297-I300 VanDerWaalsContact O-N 3.15Å; P298-I300 PolarHBondContact O-N 3.16Å; I300-N302 VanDerWaalsContact C-N 3.31Å; I300-N302 PolarHBondContact O-N 3.2Å; I300-Y303 WeakPolarHBondContact O-CB 3.27Å; I300-Y303 PolarHBondContact O-N 3.18Å; I300-Y303 VanDerWaalsContact O-N 3.13Å; I300-L304 HydrophobicContact CD1-CD1 3.85Å; I300-L304 HydrophobicContact CD1-CD2 4.44Å; I300-L304 HydrophobicContact CD1-CG 3.99Å; I300-L304 HydrophobicContact CG1-CD1 4Å; I300-L304 HydrophobicContact CG1-CG 4.22Å; I300-L304 PolarHBondContact O-N 3.43Å
301	W	97.5	Very high	94.8	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.008	27%	0.266	C	S	.	.	H	α-helix	trans	-65.4	-32.2	-175.2	-72.5	-6.7	0	0	0	113.7	A295 P298 Y303 L304 S305 F315 P317 S318 T319 L348 K351 A355	A295-W301 PolarHBondContact O-NE1 3.44Å; P298-W301 HydrophobicContact CB-CD2 4.11Å; P298-W301 HydrophobicContact CB-CE3 4.01Å; P298-W301 HydrophobicContact CB-CH2 4.24Å; P298-W301 HydrophobicContact CB-CZ2 4.31Å; P298-W301 HydrophobicContact CB-CZ3 4.09Å; P298-W301 HydrophobicContact CG-CH2 4.04Å; P298-W301 HydrophobicContact CG-CZ2 4.03Å; P298-W301 HydrophobicContact CG-CZ3 4.37Å; P298-W301 PolarHBondContact O-N 3.1Å; W301-Y303 VanDerWaalsContact C-N 3.34Å; W301-Y303 PolarHBondContact O-N 3.36Å; W301-L304 PolarHBondContact O-N 2.88Å; W301-S305 VanDerWaalsContact O-CB 3.27Å; W301-S305 WeakPolarHBondContact O-CB 3.32Å; W301-S305 PolarHBondContact O-N 2.91Å; W301-F315 HydrophobicContact CB-CE1 4.45Å; W301-F315 HydrophobicContact CB-CZ 4.48Å; W301-F315 HydrophobicContact CG-CZ 4.39Å; W301-P317 HydrophobicContact CD2-CB 3.61Å; W301-P317 HydrophobicContact CE3-CB 3.74Å; W301-P317 HydrophobicContact CE3-CG 4.43Å; W301-P317 HydrophobicContact CG-CB 4.15Å; W301-P317 HydrophobicContact CH2-CB 4.18Å; W301-P317 HydrophobicContact CZ2-CB 4.1Å; W301-P317 HydrophobicContact CZ3-CB 4.01Å; W301-S318 VanDerWaalsContact CH2-O 3.24Å; W301-S318 WeakPolarHBondContact CH2-O 3.3Å; W301-S318 WeakPolarHBondContact CZ2-O 3.41Å; W301-T319 HydrophobicContact CH2-CG2 3.92Å; W301-T319 HydrophobicContact CZ3-CG2 4.03Å; W301-L348 WeakPolarHBondContact CZ3-O 3.01Å; W301-K351 HydrophobicContact CE3-CB 4.28Å; W301-K351 HydrophobicContact CZ3-CB 4.43Å; W301-A355 HydrophobicContact CB-CB 3.82Å
302	N	97.6	Very high	95.6	Very high	85 Å²	85	52 Å²	52	46%	0.455	26%	0.258	S	S	.	.	H	α-helix	trans	-58.7	-48.9	172.1	-69.6	-5.9	0	0	0	110.7	I300 S305 E306 A355	I300-N302 VanDerWaalsContact C-N 3.31Å; I300-N302 PolarHBondContact O-N 3.2Å; N302-S305 PolarHBondContact O-N 2.71Å; N302-E306 WeakPolarHBondContact O-CG 3.44Å; N302-E306 PolarHBondContact O-N 3.04Å; N302-E306 VanDerWaalsContact O-N 3.08Å; N302-A355 WeakPolarHBondContact OD1-CA 3.35Å; N302-A355 PolarHBondContact OD1-N 3.05Å
303	Y	97.7	Very high	96.1	Very high	85 Å²	85	48.6 Å²	48.6	33%	0.333	24%	0.241	S	C	.	.	H	α-helix	trans	-62.2	-45.7	177	169.8	-85.5	0	0	0	111.7	I269 I300 W301 S305 E306 E307	I269-Y303 HydrophobicContact CB-CE1 4.48Å; I269-Y303 HydrophobicContact CD1-CD1 4.02Å; I269-Y303 HydrophobicContact CD1-CE1 3.69Å; I269-Y303 HydrophobicContact CG1-CD1 3.69Å; I269-Y303 HydrophobicContact CG1-CE1 3.13Å; I300-Y303 WeakPolarHBondContact O-CB 3.27Å; I300-Y303 PolarHBondContact O-N 3.18Å; I300-Y303 VanDerWaalsContact O-N 3.13Å; W301-Y303 VanDerWaalsContact C-N 3.34Å; W301-Y303 PolarHBondContact O-N 3.36Å; Y303-S305 VanDerWaalsContact C-N 3.32Å; Y303-S305 PolarHBondContact O-N 2.88Å; Y303-E306 PolarHBondContact O-N 3.26Å; Y303-E307 HydrophobicContact CD1-CG 4.16Å; Y303-E307 HydrophobicContact CD2-CG 4.42Å; Y303-E307 HydrophobicContact CE1-CB 4.34Å; Y303-E307 HydrophobicContact CE1-CG 3.48Å; Y303-E307 VanDerWaalsContact CE1-CG 3.48Å; Y303-E307 HydrophobicContact CE2-CG 3.86Å; Y303-E307 PolarHBondContact O-N 3.35Å; Y303-E307 WeakPolarHBondContact OH-CG 3.3Å
304	L	98	Very high	96.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.8	-38.5	179.7	-75.4	179.8	0	0	0	112.5	A295 I300 W301 E307 C308 F315	A295-L304 HydrophobicContact CB-CD1 3.86Å; I300-L304 HydrophobicContact CD1-CD1 3.85Å; I300-L304 HydrophobicContact CD1-CD2 4.44Å; I300-L304 HydrophobicContact CD1-CG 3.99Å; I300-L304 HydrophobicContact CG1-CD1 4Å; I300-L304 HydrophobicContact CG1-CG 4.22Å; I300-L304 PolarHBondContact O-N 3.43Å; W301-L304 PolarHBondContact O-N 2.88Å; L304-E307 PolarHBondContact O-N 2.92Å; L304-C308 VanDerWaalsContact O-CB 3.32Å; L304-C308 WeakPolarHBondContact O-CB 3.42Å; L304-C308 PolarHBondContact O-N 3.48Å; L304-F315 HydrophobicContact CB-CE1 4.33Å; L304-F315 HydrophobicContact CB-CE2 4.13Å; L304-F315 HydrophobicContact CB-CZ 3.86Å; L304-F315 HydrophobicContact CD1-CZ 4.42Å
305	S	98.2	Very high	96.4	Very high	8 Å²	8	43.3 Å²	43.3	6%	0.056	22%	0.217	C	C	.	.	H	α-helix	trans	-61.9	-45.2	175.2	-168.5	0	0	0	0	111.3	W301 N302 Y303 T309 F315 A355 K356	W301-S305 VanDerWaalsContact O-CB 3.27Å; W301-S305 WeakPolarHBondContact O-CB 3.32Å; W301-S305 PolarHBondContact O-N 2.91Å; N302-S305 PolarHBondContact O-N 2.71Å; Y303-S305 VanDerWaalsContact C-N 3.32Å; Y303-S305 PolarHBondContact O-N 2.88Å; S305-T309 VanDerWaalsContact O-CB 3.27Å; S305-T309 WeakPolarHBondContact O-CB 3.4Å; S305-T309 PolarHBondContact O-N 2.9Å; S305-T309 PolarHBondContact O-OG1 3.21Å; S305-F315 VanDerWaalsContact CA-CD1 3.5Å; S305-A355 WeakPolarHBondContact CB-O 3.39Å; S305-A355 PolarHBondContact OG-O 3.15Å; S305-K356 PolarHBondContact OG-O 2.97Å
306	E	98.2	Very high	96.5	Very high	134 Å²	134	43.4 Å²	43.4	63%	0.626	22%	0.218	S	C	*	.	H	α-helix	trans	-63.5	-45.2	175.5	-71.8	174.5	-175.4	0	0	112.1	N302 Y303 T309 K310	N302-E306 WeakPolarHBondContact O-CG 3.44Å; N302-E306 PolarHBondContact O-N 3.04Å; N302-E306 VanDerWaalsContact O-N 3.08Å; Y303-E306 PolarHBondContact O-N 3.26Å; E306-T309 PolarHBondContact O-N 3.13Å; E306-K310 WeakPolarHBondContact O-CB 3.14Å; E306-K310 PolarHBondContact O-N 2.86Å
307	E	98.1	Very high	96.7	Very high	31 Å²	31	43.3 Å²	43.3	15%	0.145	22%	0.217	C	C	.	.	H	α-helix	trans	-65.6	-44.7	178.3	-81	-63	112.5	0	0	112.3	C272 Y303 L304 T309 K310 Y311	C272-E307 HydrophobicContact CB-CB 4.31Å; Y303-E307 HydrophobicContact CD1-CG 4.16Å; Y303-E307 HydrophobicContact CD2-CG 4.42Å; Y303-E307 HydrophobicContact CE1-CB 4.34Å; Y303-E307 HydrophobicContact CE1-CG 3.48Å; Y303-E307 VanDerWaalsContact CE1-CG 3.48Å; Y303-E307 HydrophobicContact CE2-CG 3.86Å; Y303-E307 PolarHBondContact O-N 3.35Å; Y303-E307 WeakPolarHBondContact OH-CG 3.3Å; L304-E307 PolarHBondContact O-N 2.92Å; E307-T309 VanDerWaalsContact C-N 3.34Å; E307-T309 PolarHBondContact O-N 3.31Å; E307-K310 VanDerWaalsContact CD-NZ 3.31Å; E307-K310 WeakPolarHBondContact O-CB 3.39Å; E307-K310 PolarHBondContact O-N 3.18Å; E307-K310 WeakPolarHBondContact OE1-CD 3.45Å; E307-K310 IonicContact OE1-NZ 3.41Å; E307-K310 PolarHBondContact OE1-NZ 3.34Å; E307-K310 IonicContact OE2-NZ 3.94Å; E307-K310 PolarHBondContact OE2-NZ 3.2Å; E307-Y311 WeakPolarHBondContact O-CD2 3.36Å; E307-Y311 PolarHBondContact O-N 3.07Å
308	C	98	Very high	96.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.6	-41.3	175.8	-88.9	0	0	0	0	111	C272 L304 K310 Y311 N312 L313 F315	C272-C308 HydrophobicContact CB-CB 4.05Å; C272-C308 WeakPolarHBondContact CB-SG 3.11Å; C272-C308 VanDerWaalsContact SG-CA 3.51Å; C272-C308 WeakPolarHBondContact SG-CB 3.33Å; C272-C308 PolarHBondContact SG-N 3.2Å; C272-C308 VanDerWaalsContact SG-N 3.42Å; C272-C308 CovalentContact SG-SG 2.06Å; C272-C308 PolarHBondContact SG-SG 3.21Å; L304-C308 VanDerWaalsContact O-CB 3.32Å; L304-C308 WeakPolarHBondContact O-CB 3.42Å; L304-C308 PolarHBondContact O-N 3.48Å; C308-K310 PolarHBondContact O-N 3.34Å; C308-Y311 CarbonylContact O-C 3.57Å; C308-Y311 PolarHBondContact O-N 3.44Å; C308-Y311 VanDerWaalsContact O-N 3.1Å; C308-N312 PolarHBondContact O-N 2.87Å; C308-N312 VanDerWaalsContact O-N 3.14Å; C308-L313 CarbonylContact C-O 3.41Å; C308-L313 HydrophobicContact CB-CB 4.01Å; C308-L313 WeakPolarHBondContact O-CB 3.27Å; C308-L313 PolarHBondContact O-N 2.94Å; C308-F315 HydrophobicContact CB-CB 4Å
309	T	95.9	Very high	96.9	Very high	96 Å²	96	42.2 Å²	42.2	59%	0.589	21%	0.21	S	C	*	.	H	α-helix	trans	-60.5	-43.2	174.8	-61.2	0	0	0	0	112	S305 E306 E307 Y311 N312	S305-T309 VanDerWaalsContact O-CB 3.27Å; S305-T309 WeakPolarHBondContact O-CB 3.4Å; S305-T309 PolarHBondContact O-N 2.9Å; S305-T309 PolarHBondContact O-OG1 3.21Å; E306-T309 PolarHBondContact O-N 3.13Å; E307-T309 VanDerWaalsContact C-N 3.34Å; E307-T309 PolarHBondContact O-N 3.31Å; T309-Y311 PolarHBondContact O-N 3.37Å; T309-N312 PolarHBondContact O-N 3.29Å
310	K	96.8	Very high	97.1	Very high	128 Å²	128	37 Å²	37	56%	0.557	18%	0.182	S	C	*	.	H	α-helix	trans	-57.5	-32.2	175.1	165.4	-169.4	172.6	-163.2	0	112.7	E306 E307 C308	E306-K310 WeakPolarHBondContact O-CB 3.14Å; E306-K310 PolarHBondContact O-N 2.86Å; E307-K310 VanDerWaalsContact CD-NZ 3.31Å; E307-K310 WeakPolarHBondContact O-CB 3.39Å; E307-K310 PolarHBondContact O-N 3.18Å; E307-K310 WeakPolarHBondContact OE1-CD 3.45Å; E307-K310 IonicContact OE1-NZ 3.41Å; E307-K310 PolarHBondContact OE1-NZ 3.34Å; E307-K310 IonicContact OE2-NZ 3.94Å; E307-K310 PolarHBondContact OE2-NZ 3.2Å; C308-K310 PolarHBondContact O-N 3.34Å
311	Y	95.5	Very high	97.3	Very high	47 Å²	47	35 Å²	35	18%	0.184	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	13.4	174.5	-68	-65.9	0	0	0	113.9	C272 R273 Y276 E307 C308 T309 L313	C272-Y311 HydrophobicContact CB-CD2 4.34Å; R273-Y311 HydrophobicContact CB-CD2 4.29Å; R273-Y311 HydrophobicContact CB-CE1 4.5Å; R273-Y311 HydrophobicContact CB-CE2 3.61Å; R273-Y311 HydrophobicContact CG-CE1 4.23Å; R273-Y311 HydrophobicContact CG-CE2 4.16Å; Y276-Y311 AromaticContact CD1-CD1 3.49Å; Y276-Y311 HydrophobicContact CD1-CD1 3.49Å; Y276-Y311 VanDerWaalsContact CD1-CD1 3.49Å; Y276-Y311 HydrophobicContact CD1-CE1 4.06Å; Y276-Y311 HydrophobicContact CD1-CG 4.26Å; Y276-Y311 HydrophobicContact CD2-CD1 4.35Å; Y276-Y311 VanDerWaalsContact CD2-O 3.26Å; Y276-Y311 WeakPolarHBondContact CD2-O 3.38Å; Y276-Y311 AromaticContact CE1-CD1 3.97Å; Y276-Y311 HydrophobicContact CE1-CD1 3.97Å; Y276-Y311 HydrophobicContact CE1-CE1 4.45Å; Y276-Y311 AromaticContact CG-CD1 3.71Å; Y276-Y311 HydrophobicContact CG-CD1 3.71Å; Y276-Y311 HydrophobicContact CG-CG 4.04Å; E307-Y311 WeakPolarHBondContact O-CD2 3.36Å; E307-Y311 PolarHBondContact O-N 3.07Å; C308-Y311 CarbonylContact O-C 3.57Å; C308-Y311 PolarHBondContact O-N 3.44Å; C308-Y311 VanDerWaalsContact O-N 3.1Å; T309-Y311 PolarHBondContact O-N 3.37Å; Y311-L313 PolarHBondContact O-N 3.33Å
312	N	93.2	Very high	97.3	Very high	83 Å²	83	34.9 Å²	34.9	44%	0.444	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	27.6	-179	-157.5	37.3	0	0	0	113.9	N216 C308 T309	N216-N312 PolarHBondContact ND2-ND2 3.36Å; N216-N312 PolarHBondContact ND2-OD1 3.5Å; C308-N312 PolarHBondContact O-N 2.87Å; C308-N312 VanDerWaalsContact O-N 3.14Å; T309-N312 PolarHBondContact O-N 3.29Å
313	L	95.8	Very high	97.3	Very high	9 Å²	9	32.2 Å²	32.2	5%	0.047	16%	0.155	C	C	.	.			trans	-93.4	139.5	177.5	-63.9	-177	0	0	0	110.8	C272 L275 F280 C308 Y311	C272-L313 HydrophobicContact CB-CD1 4.32Å; C272-L313 WeakPolarHBondContact O-CD1 3.36Å; L275-L313 HydrophobicContact CB-CD1 4.04Å; F280-L313 WeakPolarHBondContact O-CD2 3.16Å; C308-L313 CarbonylContact C-O 3.41Å; C308-L313 HydrophobicContact CB-CB 4.01Å; C308-L313 WeakPolarHBondContact O-CB 3.27Å; C308-L313 PolarHBondContact O-N 2.94Å; Y311-L313 PolarHBondContact O-N 3.33Å
314	T	95.9	Very high	97.3	Very high	19 Å²	19	29.9 Å²	29.9	12%	0.117	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	140	165.7	51.9	0	0	0	0	110.5	I213 H261 N281 G282 G283 Y316 T358	I213-T314 HydrophobicContact CD1-CG2 4.48Å; H261-T314 PolarHBondContact NE2-OG1 3.39Å; H261-T314 VanDerWaalsContact NE2-OG1 3.09Å; N281-T314 PolarHBondContact O-N 3.26Å; N281-T314 PolarHBondContact O-OG1 2.79Å; G282-T314 CarbonylContact C-O 3.51Å; G282-T314 WeakPolarHBondContact CA-O 3.41Å; G282-T314 VanDerWaalsContact CA-OG1 3.31Å; G282-T314 WeakPolarHBondContact CA-OG1 3.44Å; G283-T314 PolarHBondContact N-O 3.34Å; T314-Y316 WeakPolarHBondContact OG1-CE2 3.44Å; T314-T358 WeakPolarHBondContact CA-OG1 3.24Å; T314-T358 HydrophobicContact CG2-CG2 3.83Å
315	F	98	Very high	97.2	Very high	1 Å²	1	30 Å²	30	0%	0.004	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.2	-178.4	177.2	-126.3	0	0	0	111.5	L266 G283 T285 W301 L304 S305 C308 P317 P357 T358 G359	L266-F315 HydrophobicContact CD1-CD2 3.84Å; L266-F315 HydrophobicContact CD1-CE2 3.72Å; G283-F315 WeakPolarHBondContact O-CA 3.45Å; T285-F315 HydrophobicContact CG2-CE2 4.28Å; W301-F315 HydrophobicContact CB-CE1 4.45Å; W301-F315 HydrophobicContact CB-CZ 4.48Å; W301-F315 HydrophobicContact CG-CZ 4.39Å; L304-F315 HydrophobicContact CB-CE1 4.33Å; L304-F315 HydrophobicContact CB-CE2 4.13Å; L304-F315 HydrophobicContact CB-CZ 3.86Å; L304-F315 HydrophobicContact CD1-CZ 4.42Å; S305-F315 VanDerWaalsContact CA-CD1 3.5Å; C308-F315 HydrophobicContact CB-CB 4Å; F315-P317 HydrophobicContact CD1-CG 4.41Å; F315-P317 HydrophobicContact CE1-CB 4.06Å; F315-P317 HydrophobicContact CE1-CG 3.85Å; F315-P317 HydrophobicContact CZ-CB 3.8Å; F315-P317 HydrophobicContact CZ-CG 4.1Å; F315-P357 HydrophobicContact CD1-CB 4.1Å; F315-T358 PolarHBondContact N-OG1 3.06Å; F315-T358 WeakPolarHBondContact O-CB 3.16Å; F315-T358 PolarHBondContact O-N 3.04Å; F315-G359 PolarHBondContact O-N 3.07Å
316	Y	98.4	Very high	97	Very high	3 Å²	3	31.7 Å²	31.7	1%	0.012	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	85.9	-179.5	-58.4	-94.3	0	0	0	110.9	H54 Y228 I263 G283 Y284 T285 T314 S318 T358 G359	H54-Y316 AromaticContact CE1-CE1 3.78Å; Y228-Y316 WeakPolarHBondContact OH-CD1 3.26Å; I263-Y316 HydrophobicContact CD1-CD2 4Å; I263-Y316 HydrophobicContact CD1-CE2 3.49Å; I263-Y316 VanDerWaalsContact CD1-CE2 3.49Å; I263-Y316 HydrophobicContact CG1-CE2 4.49Å; I263-Y316 HydrophobicContact CG2-CD2 4.28Å; G283-Y316 PolarHBondContact O-N 3.21Å; Y284-Y316 WeakPolarHBondContact CA-O 3.49Å; Y284-Y316 VanDerWaalsContact CB-O 3.3Å; Y284-Y316 WeakPolarHBondContact CB-O 3.45Å; T285-Y316 PolarHBondContact N-O 2.78Å; T285-Y316 VanDerWaalsContact N-O 3.17Å; T314-Y316 WeakPolarHBondContact OG1-CE2 3.44Å; Y316-S318 PolarHBondContact O-N 2.59Å; Y316-T358 HydrophobicContact CE1-CG2 4.28Å; Y316-T358 HydrophobicContact CE2-CG2 4.47Å; Y316-G359 WeakPolarHBondContact CA-O 3.09Å
317	P	98.1	Very high	96.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.127	C	C	.	.			trans	-64.2	131.2	168.5	27.4	-32.6	0	0	0	109.4	W301 F315 P357 G359 I360 G361	W301-P317 HydrophobicContact CD2-CB 3.61Å; W301-P317 HydrophobicContact CE3-CB 3.74Å; W301-P317 HydrophobicContact CE3-CG 4.43Å; W301-P317 HydrophobicContact CG-CB 4.15Å; W301-P317 HydrophobicContact CH2-CB 4.18Å; W301-P317 HydrophobicContact CZ2-CB 4.1Å; W301-P317 HydrophobicContact CZ3-CB 4.01Å; F315-P317 HydrophobicContact CD1-CG 4.41Å; F315-P317 HydrophobicContact CE1-CB 4.06Å; F315-P317 HydrophobicContact CE1-CG 3.85Å; F315-P317 HydrophobicContact CZ-CB 3.8Å; F315-P317 HydrophobicContact CZ-CG 4.1Å; P317-P357 HydrophobicContact CG-CB 3.73Å; P317-P357 HydrophobicContact CG-CG 4.01Å; P317-G359 WeakPolarHBondContact CD-O 3.47Å; P317-I360 WeakPolarHBondContact O-CA 3.09Å; P317-G361 PolarHBondContact O-N 3.23Å
318	S	98.3	Very high	96.7	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.021	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	142.3	174.6	-62.7	0	0	0	0	111.6	F56 T285 W301 Y316 G361	F56-S318 WeakPolarHBondContact CE2-OG 3.47Å; T285-S318 WeakPolarHBondContact O-CB 3.41Å; T285-S318 PolarHBondContact O-OG 3.43Å; T285-S318 PolarHBondContact OG1-N 2.82Å; W301-S318 VanDerWaalsContact CH2-O 3.24Å; W301-S318 WeakPolarHBondContact CH2-O 3.3Å; W301-S318 WeakPolarHBondContact CZ2-O 3.41Å; Y316-S318 PolarHBondContact O-N 2.59Å; S318-G361 CarbonylContact C-O 3.4Å; S318-G361 WeakPolarHBondContact CA-O 3.32Å
319	T	97.6	Very high	96.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	164	-177.4	65.7	0	0	0	0	108.1	W301 L348 F349 I360 G361 I362 V363	W301-T319 HydrophobicContact CH2-CG2 3.92Å; W301-T319 HydrophobicContact CZ3-CG2 4.03Å; T319-L348 HydrophobicContact CG2-CB 4.25Å; T319-F349 HydrophobicContact CG2-CB 4.43Å; T319-F349 HydrophobicContact CG2-CD2 4.5Å; T319-I360 HydrophobicContact CG2-CG2 3.94Å; T319-G361 PolarHBondContact N-O 2.85Å; T319-G361 PolarHBondContact OG1-O 3.36Å; T319-I362 CarbonylContact O-C 3.44Å; T319-I362 WeakPolarHBondContact O-CA 3.43Å; T319-V363 PolarHBondContact O-N 3.05Å
320	G	97.6	Very high	96.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.118	C	C	.	.			trans	-158.7	162.7	175.9	0	0	0	0	0	111.9	G322 Y345 V363	G320-G322 PolarHBondContact O-N 2.75Å; G320-Y345 VanDerWaalsContact O-CD2 3.24Å; G320-Y345 WeakPolarHBondContact O-CD2 3.45Å; G320-V363 WeakPolarHBondContact CA-O 3.31Å
321	P	98.1	Very high	96.4	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.098	C	C	.	.	S	Bend	trans	-68.3	-24	-179.4	29.1	-35	0	0	0	112.9	R339 Y345 V363 T372 I374 Y403	P321-R339 WeakPolarHBondContact O-CA 3.38Å; P321-R339 VanDerWaalsContact O-CB 3.3Å; P321-R339 WeakPolarHBondContact O-CB 3.32Å; P321-R339 VanDerWaalsContact O-CG 3.3Å; P321-R339 WeakPolarHBondContact O-CG 3.37Å; P321-Y345 HydrophobicContact CB-CD1 4.47Å; P321-Y345 HydrophobicContact CB-CG 4.36Å; P321-V363 WeakPolarHBondContact CD-O 3.37Å; P321-T372 WeakPolarHBondContact CD-O 3.24Å; P321-T372 WeakPolarHBondContact CG-O 3.13Å; P321-I374 HydrophobicContact CG-CG2 4.1Å; P321-Y403 HydrophobicContact CB-CD1 3.59Å; P321-Y403 HydrophobicContact CB-CE1 3.6Å; P321-Y403 HydrophobicContact CB-CG 4.35Å
322	G	97.9	Very high	96.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.097	C	C	.	.			trans	160.8	-177.7	-179.5	0	0	0	0	0	109.2	G320 E337 T372	G320-G322 PolarHBondContact O-N 2.75Å; G322-E337 CarbonylContact C-O 3.3Å; G322-E337 VanDerWaalsContact CA-O 3.25Å; G322-E337 WeakPolarHBondContact CA-O 3.22Å; G322-T372 WeakPolarHBondContact O-CG2 3.3Å
323	Y	97.6	Very high	96.2	Very high	29 Å²	29	20.3 Å²	20.3	11%	0.114	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-139.3	127.5	180	-179.5	-91.2	0	0	0	109.8	D325 A335 I336 E337 E370 T372	Y323-D325 HydrophobicContact CE1-CB 3.93Å; Y323-D325 WeakPolarHBondContact CE1-OD1 3.18Å; Y323-D325 HydrophobicContact CE2-CB 4.41Å; Y323-D325 PolarHBondContact OH-OD2 2.93Å; Y323-A335 HydrophobicContact CD1-CB 4.23Å; Y323-A335 WeakPolarHBondContact CD1-O 3.26Å; Y323-A335 HydrophobicContact CE1-CB 3.84Å; Y323-I336 WeakPolarHBondContact O-CA 3.35Å; Y323-E337 PolarHBondContact N-O 2.98Å; Y323-E337 PolarHBondContact O-N 2.97Å; Y323-E370 HydrophobicContact CD2-CB 3.98Å; Y323-E370 HydrophobicContact CE2-CB 3.7Å; Y323-E370 HydrophobicContact CE2-CG 3.89Å; Y323-T372 HydrophobicContact CD2-CG2 3.84Å
324	H	97.2	Very high	96	Very high	36 Å²	36	25 Å²	25	17%	0.167	14%	0.141	C	C	.	.			trans	-155.5	91	178.1	-167.9	-53.6	0	0	0	111.7	S111 E370 M393	S111-H324 PolarHBondContact OG-CE1 2.75Å; S111-H324 VanDerWaalsContact OG-CE1 3.27Å; S111-H324 PolarHBondContact OG-ND1 3.48Å; S111-H324 PolarHBondContact OG-O 2.85Å; H324-E370 CarbonylContact C-O 3.57Å; H324-E370 PolarHBondContact N-O 2.85Å; H324-M393 HydrophobicContact CB-SD 4.26Å; H324-M393 PolarHBondContact CD2-SD 3.25Å
325	D	96.4	Very high	95.8	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.016	14%	0.14	C	C	.	.			trans	-102.2	8.8	-174.2	76	-29.4	0	0	0	115	Y323 S327 V328 R329 N332 H369	Y323-D325 HydrophobicContact CE1-CB 3.93Å; Y323-D325 WeakPolarHBondContact CE1-OD1 3.18Å; Y323-D325 HydrophobicContact CE2-CB 4.41Å; Y323-D325 PolarHBondContact OH-OD2 2.93Å; D325-S327 PolarHBondContact O-N 2.75Å; D325-V328 WeakPolarHBondContact O-CA 3.47Å; D325-V328 PolarHBondContact O-N 2.77Å; D325-R329 PolarHBondContact O-N 3.04Å; D325-R329 VanDerWaalsContact OD2-CB 3.3Å; D325-R329 WeakPolarHBondContact OD2-CB 3.24Å; D325-R329 WeakPolarHBondContact OD2-CD 3.38Å; D325-R329 VanDerWaalsContact OD2-CG 3.24Å; D325-R329 WeakPolarHBondContact OD2-CG 3.07Å; D325-R329 IonicContact OD2-NE 3.68Å; D325-N332 WeakPolarHBondContact OD1-CB 3.35Å; D325-N332 PolarHBondContact OD1-ND2 3.13Å; D325-N332 VanDerWaalsContact OD1-ND2 3.16Å; D325-N332 PolarHBondContact OD2-ND2 2.89Å; D325-H369 VanDerWaalsContact CA-O 3.32Å; D325-H369 WeakPolarHBondContact CA-O 3.29Å
326	L	95.2	Very high	95.7	Very high	44 Å²	44	27.2 Å²	27.2	23%	0.23	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-21.1	-174.7	-62.7	-171	0	0	0	114.8	V328 R329 P330 N332 I336	L326-V328 PolarHBondContact O-N 3.23Å; L326-R329 WeakPolarHBondContact CD2-O 3.07Å; L326-P330 WeakPolarHBondContact O-CA 3.48Å; L326-N332 HydrophobicContact CD2-CB 4.45Å; L326-I336 HydrophobicContact CD1-CD1 3.71Å; L326-I336 HydrophobicContact CD2-CD1 4.29Å; L326-I336 HydrophobicContact CG-CD1 3.9Å; L326-I336 HydrophobicContact CG-CG1 4.47Å
327	S	94.6	Very high	95.6	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.021	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-41.7	171	-154.2	0	0	0	0	111.2	R85 H102 L108 S110 D325 R390	R85-S327 WeakPolarHBondContact CG-O 3.07Å; R85-S327 PolarHBondContact NE-O 3.13Å; H102-S327 PolarHBondContact CE1-O 2.73Å; H102-S327 PolarHBondContact NE2-O 2.9Å; H102-S327 PolarHBondContact NE2-OG 3.48Å; L108-S327 PolarHBondContact O-OG 2.86Å; S110-S327 PolarHBondContact N-OG 3.34Å; D325-S327 PolarHBondContact O-N 2.75Å; S327-R390 VanDerWaalsContact CB-NH2 3.29Å; S327-R390 PolarHBondContact OG-NH1 2.87Å; S327-R390 VanDerWaalsContact OG-NH1 3.07Å; S327-R390 PolarHBondContact OG-NH2 3.13Å
328	V	95.3	Very high	95.5	Very high	6 Å²	6	32 Å²	32	4%	0.036	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-37.4	-177.5	174.7	0	0	0	0	112.1	H83 R85 L86 A109 D325 L326 P330 H369	H83-V328 WeakPolarHBondContact CE1-CG1 3.38Å; H83-V328 WeakPolarHBondContact ND1-CG1 3.47Å; R85-V328 WeakPolarHBondContact CA-O 3.37Å; L86-V328 HydrophobicContact CD1-CG1 4.07Å; L86-V328 HydrophobicContact CG-CG1 4.11Å; L86-V328 PolarHBondContact N-O 2.81Å; A109-V328 HydrophobicContact CB-CG2 4Å; D325-V328 WeakPolarHBondContact O-CA 3.47Å; D325-V328 PolarHBondContact O-N 2.77Å; L326-V328 PolarHBondContact O-N 3.23Å; V328-P330 WeakPolarHBondContact O-CD 3.26Å; V328-H369 HydrophobicContact CG2-CB 3.93Å
329	R	95	Very high	95.5	Very high	92 Å²	92	32.6 Å²	32.6	35%	0.347	18%	0.184	S	C	.	.			trans	-121.6	80.7	177.3	-52.4	-170	-169.2	-96	-4.7	111.1	L86 D325 L326 W331 N332	L86-R329 HydrophobicContact CB-CG 4.48Å; L86-R329 HydrophobicContact CD1-CG 4.36Å; L86-R329 VanDerWaalsContact CD1-NH1 3.25Å; D325-R329 PolarHBondContact O-N 3.04Å; D325-R329 VanDerWaalsContact OD2-CB 3.3Å; D325-R329 WeakPolarHBondContact OD2-CB 3.24Å; D325-R329 WeakPolarHBondContact OD2-CD 3.38Å; D325-R329 VanDerWaalsContact OD2-CG 3.24Å; D325-R329 WeakPolarHBondContact OD2-CG 3.07Å; D325-R329 IonicContact OD2-NE 3.68Å; L326-R329 WeakPolarHBondContact CD2-O 3.07Å; R329-W331 HydrophobicContact CB-CD2 4.48Å; R329-W331 HydrophobicContact CB-CZ2 4.14Å; R329-W331 HydrophobicContact CG-CZ2 4.23Å; R329-W331 PolarHBondContact O-N 2.6Å; R329-N332 HydrophobicContact CB-CB 3.72Å; R329-N332 WeakPolarHBondContact O-CB 3.42Å; R329-N332 PolarHBondContact O-N 2.68Å
330	P	94.4	Very high	95.4	Very high	24 Å²	24	37.6 Å²	37.6	16%	0.156	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-17.3	-174.4	-26.1	34.4	0	0	0	115.6	R85 Y97 L326 V328	R85-P330 HydrophobicContact CG-CG 4.42Å; Y97-P330 HydrophobicContact CD1-CB 3.74Å; Y97-P330 WeakPolarHBondContact CD1-O 3.34Å; Y97-P330 WeakPolarHBondContact CE1-O 3.21Å; Y97-P330 HydrophobicContact CG-CB 4.26Å; L326-P330 WeakPolarHBondContact O-CA 3.48Å; V328-P330 WeakPolarHBondContact O-CD 3.26Å
331	W	93.7	Very high	95.4	Very high	40 Å²	40	40 Å²	40	15%	0.152	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-2.2	-179.2	48.9	-95.9	0	0	0	114.3	L86 H88 W89 Y97 R329 T333	L86-W331 PolarHBondContact O-NE1 3.14Å; H88-W331 HydrophobicContact CB-CB 4.37Å; H88-W331 HydrophobicContact CB-CD2 4.14Å; H88-W331 HydrophobicContact CB-CG 3.82Å; H88-W331 AromaticContact CD2-CD2 3.65Å; H88-W331 AromaticContact CD2-CE3 3.69Å; H88-W331 AromaticContact CD2-CG 3.82Å; W89-W331 HydrophobicContact CE3-CH2 4.27Å; W89-W331 HydrophobicContact CE3-CZ3 4.48Å; W89-W331 HydrophobicContact CH2-CZ3 4.33Å; W89-W331 HydrophobicContact CZ3-CE3 4.31Å; W89-W331 AromaticContact CZ3-CH2 3.74Å; W89-W331 HydrophobicContact CZ3-CH2 3.74Å; W89-W331 AromaticContact CZ3-CZ3 3.61Å; W89-W331 HydrophobicContact CZ3-CZ3 3.61Å; Y97-W331 HydrophobicContact CD1-CB 4.27Å; Y97-W331 HydrophobicContact CD2-CB 3.78Å; Y97-W331 HydrophobicContact CE1-CB 4Å; Y97-W331 HydrophobicContact CE2-CB 3.48Å; Y97-W331 VanDerWaalsContact CE2-CB 3.48Å; Y97-W331 HydrophobicContact CG-CB 4.17Å; R329-W331 HydrophobicContact CB-CD2 4.48Å; R329-W331 HydrophobicContact CB-CZ2 4.14Å; R329-W331 HydrophobicContact CG-CZ2 4.23Å; R329-W331 PolarHBondContact O-N 2.6Å; W331-T333 VanDerWaalsContact C-N 3.31Å; W331-T333 PolarHBondContact O-N 2.9Å
332	N	93.2	Very high	95.4	Very high	30 Å²	30	40 Å²	40	16%	0.16	22%	0.224	C	C	.	.			trans	-93.8	28.1	-168.3	-159.7	30.2	0	0	0	113.9	D325 L326 R329 A334 A335	D325-N332 WeakPolarHBondContact OD1-CB 3.35Å; D325-N332 PolarHBondContact OD1-ND2 3.13Å; D325-N332 VanDerWaalsContact OD1-ND2 3.16Å; D325-N332 PolarHBondContact OD2-ND2 2.89Å; L326-N332 HydrophobicContact CD2-CB 4.45Å; R329-N332 HydrophobicContact CB-CB 3.72Å; R329-N332 WeakPolarHBondContact O-CB 3.42Å; R329-N332 PolarHBondContact O-N 2.68Å; N332-A334 PolarHBondContact O-N 2.75Å; N332-A335 WeakPolarHBondContact ND2-CB 3.4Å; N332-A335 PolarHBondContact O-N 3.32Å; N332-A335 WeakPolarHBondContact OD1-CB 3.4Å
333	T	92.6	Very high	95.4	Very high	84 Å²	84	42.7 Å²	42.7	52%	0.515	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-55	-31.9	-176.3	-50.1	0	0	0	0	113.1	W331 A335 I336	W331-T333 VanDerWaalsContact C-N 3.31Å; W331-T333 PolarHBondContact O-N 2.9Å; T333-A335 PolarHBondContact O-N 3.37Å; T333-I336 HydrophobicContact CG2-CD1 4.01Å; T333-I336 WeakPolarHBondContact O-CB 3.09Å; T333-I336 WeakPolarHBondContact O-CG1 3.47Å; T333-I336 PolarHBondContact O-N 3.29Å
334	A	91.4	Very high	95.3	Very high	107 Å²	107	41.9 Å²	41.9	88%	0.884	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-67.7	-20.6	179.9	0	0	0	0	0	114.1	N332	N332-A334 PolarHBondContact O-N 2.75Å
335	A	92.5	Very high	95.4	Very high	13 Å²	13	40.2 Å²	40.2	11%	0.107	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-90.7	-5.5	178.7	0	0	0	0	0	113.1	I292 Y323 N332 T333 E337	I292-A335 HydrophobicContact CD1-CB 4.03Å; Y323-A335 HydrophobicContact CD1-CB 4.23Å; Y323-A335 WeakPolarHBondContact CD1-O 3.26Å; Y323-A335 HydrophobicContact CE1-CB 3.84Å; N332-A335 WeakPolarHBondContact ND2-CB 3.4Å; N332-A335 PolarHBondContact O-N 3.32Å; N332-A335 WeakPolarHBondContact OD1-CB 3.4Å; T333-A335 PolarHBondContact O-N 3.37Å; A335-E337 PolarHBondContact O-N 3.03Å
336	I	95.2	Very high	95.5	Very high	55 Å²	55	40.1 Å²	40.1	28%	0.282	23%	0.228	S	C	.	.			trans	-61.3	128.3	-178.3	-68.4	171.7	0	0	0	110	Y323 L326 T333	Y323-I336 WeakPolarHBondContact O-CA 3.35Å; L326-I336 HydrophobicContact CD1-CD1 3.71Å; L326-I336 HydrophobicContact CD2-CD1 4.29Å; L326-I336 HydrophobicContact CG-CD1 3.9Å; L326-I336 HydrophobicContact CG-CG1 4.47Å; T333-I336 HydrophobicContact CG2-CD1 4.01Å; T333-I336 WeakPolarHBondContact O-CB 3.09Å; T333-I336 WeakPolarHBondContact O-CG1 3.47Å; T333-I336 PolarHBondContact O-N 3.29Å
337	E	95.7	Very high	95.5	Very high	48 Å²	48	41.6 Å²	41.6	22%	0.224	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-115.9	108.6	169.6	-171.7	72.2	-147.2	0	0	107.6	G289 G322 Y323 A335 T344	G289-E337 WeakPolarHBondContact CA-OE2 3.4Å; G322-E337 CarbonylContact C-O 3.3Å; G322-E337 VanDerWaalsContact CA-O 3.25Å; G322-E337 WeakPolarHBondContact CA-O 3.22Å; Y323-E337 PolarHBondContact N-O 2.98Å; Y323-E337 PolarHBondContact O-N 2.97Å; A335-E337 PolarHBondContact O-N 3.03Å; E337-T344 HydrophobicContact CG-CG2 3.74Å
338	S	96.1	Very high	95.6	Very high	54 Å²	54	41.8 Å²	41.8	38%	0.378	24%	0.237	S	C	.	.			trans	-62.6	146	179.8	174.7	0	0	0	0	110.7	E340 T344	S338-E340 VanDerWaalsContact C-N 3.28Å; S338-E340 WeakPolarHBondContact CB-OE1 3.05Å; S338-E340 PolarHBondContact O-N 3.29Å; S338-E340 PolarHBondContact OG-N 2.95Å; S338-E340 PolarHBondContact OG-OE1 3.3Å; S338-T344 VanDerWaalsContact O-CB 3.25Å; S338-T344 WeakPolarHBondContact O-CB 3.17Å; S338-T344 WeakPolarHBondContact O-CG2 3.42Å; S338-T344 PolarHBondContact O-OG1 2.78Å
339	R	97.6	Very high	95.8	Very high	17 Å²	17	41.5 Å²	41.5	6%	0.064	24%	0.235	C	C	.	.			trans	-75.6	-18.2	174.8	-51.8	-166.5	167.6	-145.4	-3.9	113.7	P321 S341 G342 L343 G371 Q373 Y395 Y403	P321-R339 WeakPolarHBondContact O-CA 3.38Å; P321-R339 VanDerWaalsContact O-CB 3.3Å; P321-R339 WeakPolarHBondContact O-CB 3.32Å; P321-R339 VanDerWaalsContact O-CG 3.3Å; P321-R339 WeakPolarHBondContact O-CG 3.37Å; R339-S341 PolarHBondContact O-N 2.98Å; R339-G342 WeakPolarHBondContact O-CA 3.3Å; R339-G342 PolarHBondContact O-N 3.24Å; R339-L343 PolarHBondContact O-N 3.26Å; R339-G371 PolarHBondContact NH2-O 2.79Å; R339-Q373 VanDerWaalsContact CZ-O 3.28Å; R339-Q373 PolarHBondContact NH1-O 2.65Å; R339-Q373 PolarHBondContact NH2-O 3.31Å; R339-Y395 PolarHBondContact NH1-OH 2.93Å; R339-Y403 WeakPolarHBondContact CB-OH 3.32Å; R339-Y403 VanDerWaalsContact CD-CZ 3.49Å; R339-Y403 VanDerWaalsContact CD-OH 3.28Å; R339-Y403 WeakPolarHBondContact CD-OH 3.19Å; R339-Y403 VanDerWaalsContact NH1-CD2 3.3Å; R339-Y403 VanDerWaalsContact NH1-CE2 3.32Å
340	E	96.6	Very high	95.9	Very high	105 Å²	105	37.7 Å²	37.7	49%	0.491	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	45.8	42	179.1	-64.5	-59	131.8	0	0	113.3	S338 G342 L343 R434	S338-E340 VanDerWaalsContact C-N 3.28Å; S338-E340 WeakPolarHBondContact CB-OE1 3.05Å; S338-E340 PolarHBondContact O-N 3.29Å; S338-E340 PolarHBondContact OG-N 2.95Å; S338-E340 PolarHBondContact OG-OE1 3.3Å; E340-G342 VanDerWaalsContact C-N 3.26Å; E340-G342 PolarHBondContact O-N 3.42Å; E340-L343 HydrophobicContact CB-CB 3.88Å; E340-L343 VanDerWaalsContact O-CB 3.32Å; E340-L343 WeakPolarHBondContact O-CB 3.3Å; E340-L343 PolarHBondContact O-N 3.31Å; E340-R434 PolarHBondContact O-NH2 3.33Å
341	S	96.9	Very high	96	Very high	51 Å²	51	39.9 Å²	39.9	36%	0.357	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	48.9	46.2	-174.9	-65.9	0	0	0	0	113	R339 R434	R339-S341 PolarHBondContact O-N 2.98Å; S341-R434 PolarHBondContact O-NE 2.68Å; S341-R434 PolarHBondContact O-NH2 3.21Å
342	G	98.1	Very high	96.2	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	89.5	-12.3	179.7	0	0	0	0	0	115.9	R339 E340 Y345 V346	R339-G342 WeakPolarHBondContact O-CA 3.3Å; R339-G342 PolarHBondContact O-N 3.24Å; E340-G342 VanDerWaalsContact C-N 3.26Å; E340-G342 PolarHBondContact O-N 3.42Å; G342-Y345 PolarHBondContact O-N 3.33Å; G342-V346 WeakPolarHBondContact O-CG2 3.33Å; G342-V346 PolarHBondContact O-N 3.18Å; G342-V346 VanDerWaalsContact O-N 3.07Å
343	L	97.8	Very high	96.4	Very high	56 Å²	56	38.1 Å²	38.1	29%	0.293	22%	0.222	S	C	.	.	H	α-helix	trans	-64.5	-45.4	-175.2	178.8	62.2	0	0	0	112.3	R339 E340 Y345 V346 N347 L438	R339-L343 PolarHBondContact O-N 3.26Å; E340-L343 HydrophobicContact CB-CB 3.88Å; E340-L343 VanDerWaalsContact O-CB 3.32Å; E340-L343 WeakPolarHBondContact O-CB 3.3Å; E340-L343 PolarHBondContact O-N 3.31Å; L343-Y345 VanDerWaalsContact C-N 3.27Å; L343-Y345 PolarHBondContact O-N 3.07Å; L343-V346 PolarHBondContact O-N 3.41Å; L343-N347 WeakPolarHBondContact O-CB 3.5Å; L343-N347 PolarHBondContact O-N 3.37Å; L343-N347 PolarHBondContact O-ND2 3.33Å; L343-L438 HydrophobicContact CB-CD2 4.01Å; L343-L438 HydrophobicContact CD1-CD2 4.23Å
344	T	96.9	Very high	96.6	Very high	12 Å²	12	39 Å²	39	7%	0.074	22%	0.223	C	C	.	.	H	α-helix	trans	-53.3	-49.1	174.3	-60	0	0	0	0	110.4	E337 S338 V346 N347 L348	E337-T344 HydrophobicContact CG-CG2 3.74Å; S338-T344 VanDerWaalsContact O-CB 3.25Å; S338-T344 WeakPolarHBondContact O-CB 3.17Å; S338-T344 WeakPolarHBondContact O-CG2 3.42Å; S338-T344 PolarHBondContact O-OG1 2.78Å; T344-V346 PolarHBondContact O-N 3.31Å; T344-N347 PolarHBondContact O-N 3.45Å; T344-L348 HydrophobicContact CG2-CD1 4.01Å; T344-L348 HydrophobicContact CG2-CG 4.39Å; T344-L348 VanDerWaalsContact O-CG 3.31Å; T344-L348 WeakPolarHBondContact O-CG 3.3Å; T344-L348 PolarHBondContact O-N 3.02Å
345	Y	98.2	Very high	96.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.1	-48.2	-176.9	-165.1	-156.8	0	0	0	112.4	G320 P321 G342 L343 N347 L348 F349 I362 I374 Y403 L406 T407 L410	G320-Y345 VanDerWaalsContact O-CD2 3.24Å; G320-Y345 WeakPolarHBondContact O-CD2 3.45Å; P321-Y345 HydrophobicContact CB-CD1 4.47Å; P321-Y345 HydrophobicContact CB-CG 4.36Å; G342-Y345 PolarHBondContact O-N 3.33Å; L343-Y345 VanDerWaalsContact C-N 3.27Å; L343-Y345 PolarHBondContact O-N 3.07Å; Y345-N347 VanDerWaalsContact C-N 3.34Å; Y345-N347 PolarHBondContact O-N 3.04Å; Y345-L348 PolarHBondContact O-N 2.93Å; Y345-F349 AromaticContact CE2-CD2 4Å; Y345-F349 HydrophobicContact CE2-CD2 4Å; Y345-F349 VanDerWaalsContact O-CB 3.31Å; Y345-F349 WeakPolarHBondContact O-CB 3.37Å; Y345-F349 PolarHBondContact O-N 2.83Å; Y345-I362 WeakPolarHBondContact OH-CD1 3.41Å; Y345-I362 WeakPolarHBondContact OH-CG1 3.38Å; Y345-I362 WeakPolarHBondContact OH-CG2 3.12Å; Y345-I374 HydrophobicContact CE1-CG2 4.21Å; Y345-Y403 HydrophobicContact CD1-CD1 4.2Å; Y345-L406 HydrophobicContact CD1-CD2 3.95Å; Y345-L406 HydrophobicContact CD1-CG 4.21Å; Y345-T407 WeakPolarHBondContact CE1-OG1 3.5Å; Y345-T407 PolarHBondContact OH-OG1 2.86Å; Y345-L410 HydrophobicContact CD1-CD1 3.89Å; Y345-L410 HydrophobicContact CE1-CD1 3.82Å; Y345-L410 HydrophobicContact CG-CD1 4.28Å
346	V	98.2	Very high	97.1	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.006	22%	0.216	C	C	.	.	H	α-helix	trans	-62.4	-41.7	179.2	172.5	0	0	0	0	111.6	G342 L343 T344 F349 T350 L406 L410 L438	G342-V346 WeakPolarHBondContact O-CG2 3.33Å; G342-V346 PolarHBondContact O-N 3.18Å; G342-V346 VanDerWaalsContact O-N 3.07Å; L343-V346 PolarHBondContact O-N 3.41Å; T344-V346 PolarHBondContact O-N 3.31Å; V346-F349 PolarHBondContact O-N 2.71Å; V346-T350 WeakPolarHBondContact O-CB 3.36Å; V346-T350 PolarHBondContact O-N 3.16Å; V346-T350 PolarHBondContact O-OG1 3.35Å; V346-L406 HydrophobicContact CG2-CD1 3.63Å; V346-L406 HydrophobicContact CG2-CD2 4.06Å; V346-L406 HydrophobicContact CG2-CG 4.17Å; V346-L410 HydrophobicContact CB-CD2 4.43Å; V346-L410 HydrophobicContact CG1-CD2 4.31Å; V346-L410 HydrophobicContact CG2-CD1 4.39Å; V346-L410 HydrophobicContact CG2-CD2 4.08Å; V346-L438 HydrophobicContact CG2-CB 3.9Å; V346-L438 HydrophobicContact CG2-CD1 4.43Å; V346-L438 HydrophobicContact CG2-CD2 4.46Å
347	N	96.7	Very high	97.2	Very high	75 Å²	75	40.1 Å²	40.1	40%	0.401	21%	0.206	S	C	.	.	H	α-helix	trans	-62.2	-47.8	178.1	-72.2	-16.9	0	0	0	111.4	L343 T344 Y345 K351	L343-N347 WeakPolarHBondContact O-CB 3.5Å; L343-N347 PolarHBondContact O-N 3.37Å; L343-N347 PolarHBondContact O-ND2 3.33Å; T344-N347 PolarHBondContact O-N 3.45Å; Y345-N347 VanDerWaalsContact C-N 3.34Å; Y345-N347 PolarHBondContact O-N 3.04Å; N347-K351 WeakPolarHBondContact O-CG 3.27Å; N347-K351 PolarHBondContact O-N 3.28Å
348	L	96.7	Very high	97.3	Very high	8 Å²	8	40.3 Å²	40.3	4%	0.042	21%	0.21	C	C	.	.	H	α-helix	trans	-61.9	-50.4	177.2	-66.1	-179.5	0	0	0	110.9	V288 P298 W301 T319 T344 Y345 T350 K351 G352	V288-L348 HydrophobicContact CG1-CD1 4.18Å; P298-L348 HydrophobicContact CB-CD2 4.33Å; P298-L348 HydrophobicContact CG-CD2 3.28Å; W301-L348 WeakPolarHBondContact CZ3-O 3.01Å; T319-L348 HydrophobicContact CG2-CB 4.25Å; T344-L348 HydrophobicContact CG2-CD1 4.01Å; T344-L348 HydrophobicContact CG2-CG 4.39Å; T344-L348 VanDerWaalsContact O-CG 3.31Å; T344-L348 WeakPolarHBondContact O-CG 3.3Å; T344-L348 PolarHBondContact O-N 3.02Å; Y345-L348 PolarHBondContact O-N 2.93Å; L348-T350 VanDerWaalsContact C-N 3.31Å; L348-T350 PolarHBondContact O-N 3.23Å; L348-K351 PolarHBondContact O-N 3.32Å; L348-G352 PolarHBondContact O-N 2.89Å
349	F	98	Very high	97.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.3	-40.8	-178.5	-154.6	-71	0	0	0	112.1	V53 T319 Y345 V346 G352 I353 I360 I362 L410 F414	V53-F349 HydrophobicContact CG2-CZ 4.32Å; T319-F349 HydrophobicContact CG2-CB 4.43Å; T319-F349 HydrophobicContact CG2-CD2 4.5Å; Y345-F349 AromaticContact CE2-CD2 4Å; Y345-F349 HydrophobicContact CE2-CD2 4Å; Y345-F349 VanDerWaalsContact O-CB 3.31Å; Y345-F349 WeakPolarHBondContact O-CB 3.37Å; Y345-F349 PolarHBondContact O-N 2.83Å; V346-F349 PolarHBondContact O-N 2.71Å; F349-G352 CarbonylContact O-C 3.59Å; F349-G352 WeakPolarHBondContact O-CA 3.47Å; F349-G352 PolarHBondContact O-N 3.47Å; F349-G352 VanDerWaalsContact O-N 3.15Å; F349-I353 HydrophobicContact CD1-CD1 3.76Å; F349-I353 HydrophobicContact CD1-CG1 3.94Å; F349-I353 HydrophobicContact CE1-CD1 3.93Å; F349-I353 HydrophobicContact CE1-CG1 4.04Å; F349-I353 WeakPolarHBondContact O-CG1 3.08Å; F349-I353 PolarHBondContact O-N 2.87Å; F349-I360 HydrophobicContact CD1-CD1 3.96Å; F349-I360 HydrophobicContact CD2-CG2 4.15Å; F349-I360 HydrophobicContact CE1-CD1 3.53Å; F349-I360 HydrophobicContact CE1-CG2 4.4Å; F349-I360 HydrophobicContact CE2-CG2 3.78Å; F349-I360 HydrophobicContact CZ-CB 4.32Å; F349-I360 HydrophobicContact CZ-CD1 3.97Å; F349-I360 HydrophobicContact CZ-CG2 3.91Å; F349-I362 HydrophobicContact CE2-CD1 4.21Å; F349-I362 HydrophobicContact CE2-CG1 4.15Å; F349-L410 HydrophobicContact CB-CD1 3.89Å; F349-L410 HydrophobicContact CB-CD2 4.06Å; F349-L410 HydrophobicContact CB-CG 4.44Å; F349-L410 HydrophobicContact CD1-CB 3.9Å; F349-L410 HydrophobicContact CD1-CD2 4.24Å; F349-L410 HydrophobicContact CD1-CG 4.47Å; F349-L410 HydrophobicContact CD2-CB 4.18Å; F349-L410 HydrophobicContact CD2-CD1 3.94Å; F349-L410 HydrophobicContact CE1-CB 3.99Å; F349-L410 HydrophobicContact CE2-CB 4.26Å; F349-L410 HydrophobicContact CG-CB 4.01Å; F349-L410 HydrophobicContact CG-CD1 3.89Å; F349-L410 HydrophobicContact CG-CD2 4.2Å; F349-L410 HydrophobicContact CG-CG 4.26Å; F349-L410 HydrophobicContact CZ-CB 4.17Å; F349-F414 HydrophobicContact CE1-CB 4.18Å
350	T	97.4	Very high	97.4	Very high	11 Å²	11	36.9 Å²	36.9	7%	0.067	19%	0.189	C	C	.	.	H	α-helix	trans	-65.7	-43.1	177.6	-61.9	0	0	0	0	112.3	V346 L348 G352 I353 N354 S442	V346-T350 WeakPolarHBondContact O-CB 3.36Å; V346-T350 PolarHBondContact O-N 3.16Å; V346-T350 PolarHBondContact O-OG1 3.35Å; L348-T350 VanDerWaalsContact C-N 3.31Å; L348-T350 PolarHBondContact O-N 3.23Å; T350-G352 PolarHBondContact O-N 3.48Å; T350-I353 PolarHBondContact O-N 3.24Å; T350-N354 WeakPolarHBondContact O-CB 3.36Å; T350-N354 VanDerWaalsContact O-CG 3.24Å; T350-N354 PolarHBondContact O-N 3.25Å; T350-N354 PolarHBondContact O-ND2 2.98Å; T350-S442 WeakPolarHBondContact CG2-OXT 3.34Å; T350-S442 WeakPolarHBondContact OG1-CB 3.48Å
351	K	96.7	Very high	97.5	Very high	70 Å²	70	32 Å²	32	30%	0.304	17%	0.167	S	C	.	.	H	α-helix	trans	-60.4	-38.8	171.7	-73.1	-175.9	-179.3	-176.7	0	111.2	P298 D299 W301 N347 L348 N354 A355	P298-K351 HydrophobicContact CB-CB 4.03Å; P298-K351 HydrophobicContact CB-CD 3.38Å; P298-K351 HydrophobicContact CB-CG 4.36Å; P298-K351 HydrophobicContact CG-CD 4.43Å; D299-K351 IonicContact OD1-NZ 2.91Å; D299-K351 PolarHBondContact OD1-NZ 2.77Å; W301-K351 HydrophobicContact CE3-CB 4.28Å; W301-K351 HydrophobicContact CZ3-CB 4.43Å; N347-K351 WeakPolarHBondContact O-CG 3.27Å; N347-K351 PolarHBondContact O-N 3.28Å; L348-K351 PolarHBondContact O-N 3.32Å; K351-N354 PolarHBondContact O-N 3.16Å; K351-A355 PolarHBondContact O-N 3.45Å; K351-A355 VanDerWaalsContact O-N 3.11Å
352	G	97.3	Very high	97.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-55.3	-52.3	171.3	0	0	0	0	0	112.1	L348 F349 T350 N354 A355 P357	L348-G352 PolarHBondContact O-N 2.89Å; F349-G352 CarbonylContact O-C 3.59Å; F349-G352 WeakPolarHBondContact O-CA 3.47Å; F349-G352 PolarHBondContact O-N 3.47Å; F349-G352 VanDerWaalsContact O-N 3.15Å; T350-G352 PolarHBondContact O-N 3.48Å; G352-N354 PolarHBondContact O-N 2.77Å; G352-A355 PolarHBondContact O-N 3.28Å; G352-P357 WeakPolarHBondContact O-CD 3.33Å; G352-P357 WeakPolarHBondContact O-CG 3.09Å
353	I	97.7	Very high	97.6	Very high	34 Å²	34	29.6 Å²	29.6	17%	0.174	15%	0.15	C	C	.	.	H	α-helix	trans	-59.3	-46.7	177	-65.1	171.5	0	0	0	111.3	F349 T350 A355 K356 I360 K413 F414	F349-I353 HydrophobicContact CD1-CD1 3.76Å; F349-I353 HydrophobicContact CD1-CG1 3.94Å; F349-I353 HydrophobicContact CE1-CD1 3.93Å; F349-I353 HydrophobicContact CE1-CG1 4.04Å; F349-I353 WeakPolarHBondContact O-CG1 3.08Å; F349-I353 PolarHBondContact O-N 2.87Å; T350-I353 PolarHBondContact O-N 3.24Å; I353-A355 PolarHBondContact O-N 2.69Å; I353-K356 PolarHBondContact O-N 3.03Å; I353-I360 HydrophobicContact CG1-CD1 3.66Å; I353-K413 HydrophobicContact CD1-CG 4.45Å; I353-F414 HydrophobicContact CB-CD2 4.47Å; I353-F414 HydrophobicContact CD1-CB 3.88Å; I353-F414 HydrophobicContact CD1-CD2 4.39Å; I353-F414 HydrophobicContact CD1-CG 4.46Å; I353-F414 HydrophobicContact CG1-CB 4.11Å; I353-F414 HydrophobicContact CG1-CD2 3.78Å; I353-F414 HydrophobicContact CG1-CG 4.15Å; I353-F414 HydrophobicContact CG2-CD2 4.24Å
354	N	97.6	Very high	97.7	Very high	101 Å²	101	26.9 Å²	26.9	54%	0.54	14%	0.136	S	C	.	.	H	α-helix	trans	-64.1	-26.4	-175.6	-71.7	-20.1	0	0	0	113	T350 K351 G352 K356	T350-N354 WeakPolarHBondContact O-CB 3.36Å; T350-N354 VanDerWaalsContact O-CG 3.24Å; T350-N354 PolarHBondContact O-N 3.25Å; T350-N354 PolarHBondContact O-ND2 2.98Å; K351-N354 PolarHBondContact O-N 3.16Å; G352-N354 PolarHBondContact O-N 2.77Å; N354-K356 PolarHBondContact O-N 3.39Å
355	A	97.6	Very high	97.8	Very high	6 Å²	6	26.3 Å²	26.3	5%	0.05	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-4.3	172.3	0	0	0	0	0	114	W301 N302 S305 K351 G352 I353	W301-A355 HydrophobicContact CB-CB 3.82Å; N302-A355 WeakPolarHBondContact OD1-CA 3.35Å; N302-A355 PolarHBondContact OD1-N 3.05Å; S305-A355 WeakPolarHBondContact CB-O 3.39Å; S305-A355 PolarHBondContact OG-O 3.15Å; K351-A355 PolarHBondContact O-N 3.45Å; K351-A355 VanDerWaalsContact O-N 3.11Å; G352-A355 PolarHBondContact O-N 3.28Å; I353-A355 PolarHBondContact O-N 2.69Å
356	K	96.9	Very high	97.8	Very high	183 Å²	183	26.3 Å²	26.3	80%	0.796	13%	0.132	S	C	*	.			trans	50.4	53.4	-178.2	-56.6	175.2	-175.6	173	0	112.9	S305 I353 N354	S305-K356 PolarHBondContact OG-O 2.97Å; I353-K356 PolarHBondContact O-N 3.03Å; N354-K356 PolarHBondContact O-N 3.39Å
357	P	97.6	Very high	97.8	Very high	10 Å²	10	26.5 Å²	26.5	7%	0.065	13%	0.133	C	C	.	.			trans	-75	170.6	-173.9	35.1	-37.9	0	0	0	111.1	F315 P317 G352 G359 I360	F315-P357 HydrophobicContact CD1-CB 4.1Å; P317-P357 HydrophobicContact CG-CB 3.73Å; P317-P357 HydrophobicContact CG-CG 4.01Å; G352-P357 WeakPolarHBondContact O-CD 3.33Å; G352-P357 WeakPolarHBondContact O-CG 3.09Å; P357-G359 VanDerWaalsContact C-N 3.31Å; P357-G359 WeakPolarHBondContact CB-O 3.3Å; P357-I360 HydrophobicContact CG-CG1 3.9Å
358	T	96.4	Very high	97.9	Very high	52 Å²	52	22.9 Å²	22.9	32%	0.319	11%	0.114	S	C	.	.	S	Bend	trans	-65	-40.3	168.5	-52.4	0	0	0	0	110.9	R52 T314 F315 Y316	R52-T358 WeakPolarHBondContact CD-O 3.19Å; T314-T358 WeakPolarHBondContact CA-OG1 3.24Å; T314-T358 HydrophobicContact CG2-CG2 3.83Å; F315-T358 PolarHBondContact N-OG1 3.06Å; F315-T358 WeakPolarHBondContact O-CB 3.16Å; F315-T358 PolarHBondContact O-N 3.04Å; Y316-T358 HydrophobicContact CE1-CG2 4.28Å; Y316-T358 HydrophobicContact CE2-CG2 4.47Å
359	G	98.2	Very high	97.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.115	C	C	.	.			trans	-161.8	177.9	175.3	0	0	0	0	0	111.3	R52 F315 Y316 P317 P357	R52-G359 CarbonylContact O-C 3.23Å; R52-G359 WeakPolarHBondContact O-CA 3.1Å; F315-G359 PolarHBondContact O-N 3.07Å; Y316-G359 WeakPolarHBondContact CA-O 3.09Å; P317-G359 WeakPolarHBondContact CD-O 3.47Å; P357-G359 VanDerWaalsContact C-N 3.31Å; P357-G359 WeakPolarHBondContact CB-O 3.3Å
360	I	98.7	Very high	97.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	130.9	-179.2	-65.9	174.4	0	0	0	109.3	R52 V53 H54 P317 T319 F349 I353 P357 F414	R52-I360 PolarHBondContact O-N 3.47Å; V53-I360 WeakPolarHBondContact CA-O 3.48Å; H54-I360 PolarHBondContact N-O 3.48Å; P317-I360 WeakPolarHBondContact O-CA 3.09Å; T319-I360 HydrophobicContact CG2-CG2 3.94Å; F349-I360 HydrophobicContact CD1-CD1 3.96Å; F349-I360 HydrophobicContact CD2-CG2 4.15Å; F349-I360 HydrophobicContact CE1-CD1 3.53Å; F349-I360 HydrophobicContact CE1-CG2 4.4Å; F349-I360 HydrophobicContact CE2-CG2 3.78Å; F349-I360 HydrophobicContact CZ-CB 4.32Å; F349-I360 HydrophobicContact CZ-CD1 3.97Å; F349-I360 HydrophobicContact CZ-CG2 3.91Å; I353-I360 HydrophobicContact CG1-CD1 3.66Å; P357-I360 HydrophobicContact CG-CG1 3.9Å; I360-F414 HydrophobicContact CD1-CD1 4.18Å; I360-F414 HydrophobicContact CD1-CD2 4.29Å; I360-F414 HydrophobicContact CD1-CE1 4.14Å; I360-F414 HydrophobicContact CD1-CE2 4.26Å; I360-F414 HydrophobicContact CD1-CG 4.25Å; I360-F414 HydrophobicContact CD1-CZ 4.19Å; I360-F414 HydrophobicContact CG1-CE1 4.23Å; I360-F414 HydrophobicContact CG1-CZ 4.26Å
361	G	98.7	Very high	97.9	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.01	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	145.4	169.5	0	0	0	0	0	111.8	H54 P317 S318 T319	H54-G361 CarbonylContact O-C 3.6Å; H54-G361 VanDerWaalsContact O-CA 3.31Å; H54-G361 WeakPolarHBondContact O-CA 3.43Å; P317-G361 PolarHBondContact O-N 3.23Å; S318-G361 CarbonylContact C-O 3.4Å; S318-G361 WeakPolarHBondContact CA-O 3.32Å; T319-G361 PolarHBondContact N-O 2.85Å; T319-G361 PolarHBondContact OG1-O 3.36Å
362	I	98.8	Very high	98	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	106.9	168.2	-60	170.1	0	0	0	107.3	V53 H54 F56 I139 T319 Y345 F349 S364 I374 T407	V53-I362 HydrophobicContact CG1-CD1 3.48Å; V53-I362 VanDerWaalsContact CG1-CD1 3.48Å; V53-I362 HydrophobicContact CG1-CG1 4.1Å; H54-I362 PolarHBondContact O-N 3.25Å; F56-I362 WeakPolarHBondContact CD2-O 3.49Å; F56-I362 PolarHBondContact N-O 3.06Å; I139-I362 HydrophobicContact CD1-CD1 3.77Å; I139-I362 HydrophobicContact CG1-CD1 3.95Å; T319-I362 CarbonylContact O-C 3.44Å; T319-I362 WeakPolarHBondContact O-CA 3.43Å; Y345-I362 WeakPolarHBondContact OH-CD1 3.41Å; Y345-I362 WeakPolarHBondContact OH-CG1 3.38Å; Y345-I362 WeakPolarHBondContact OH-CG2 3.12Å; F349-I362 HydrophobicContact CE2-CD1 4.21Å; F349-I362 HydrophobicContact CE2-CG1 4.15Å; I362-S364 VanDerWaalsContact O-CA 3.27Å; I362-S364 WeakPolarHBondContact O-CA 3.28Å; I362-I374 HydrophobicContact CG2-CD1 4.43Å; I362-I374 HydrophobicContact CG2-CG2 4.11Å; I362-T407 HydrophobicContact CD1-CG2 3.6Å
363	V	98.5	Very high	98	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.006	11%	0.106	C	C	.	.	S	Bend	trans	-94.5	98.5	168.1	177.4	0	0	0	0	106.1	F56 Y286 V288 T319 G320 P321 T372	F56-V363 HydrophobicContact CB-CG2 4.49Å; F56-V363 HydrophobicContact CD2-CB 4.48Å; F56-V363 HydrophobicContact CD2-CG2 3.39Å; F56-V363 HydrophobicContact CE2-CG2 3.73Å; F56-V363 HydrophobicContact CG-CG2 3.99Å; Y286-V363 HydrophobicContact CD2-CG2 3.8Å; Y286-V363 HydrophobicContact CE2-CG1 4.38Å; Y286-V363 HydrophobicContact CE2-CG2 3.95Å; Y286-V363 HydrophobicContact CG-CG2 4.4Å; Y286-V363 WeakPolarHBondContact O-CG2 3.25Å; V288-V363 HydrophobicContact CG2-CB 3.81Å; V288-V363 HydrophobicContact CG2-CG1 3.85Å; T319-V363 PolarHBondContact O-N 3.05Å; G320-V363 WeakPolarHBondContact CA-O 3.31Å; P321-V363 WeakPolarHBondContact CD-O 3.37Å; V363-T372 CarbonylContact C-O 3.52Å; V363-T372 HydrophobicContact CG1-CG2 4.13Å; V363-T372 WeakPolarHBondContact O-CB 3.49Å
364	S	98.7	Very high	98.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.098	C	C	.	.			cis	-144.9	171.4	1.9	60.1	0	0	0	0	110.6	I362 E367 T372 Q373 I374	I362-S364 VanDerWaalsContact O-CA 3.27Å; I362-S364 WeakPolarHBondContact O-CA 3.28Å; S364-E367 WeakPolarHBondContact OG-CA 3.49Å; S364-E367 WeakPolarHBondContact OG-CB 3.22Å; S364-E367 PolarHBondContact OG-N 3.41Å; S364-T372 PolarHBondContact N-O 3.27Å; S364-T372 PolarHBondContact OG-OG1 2.94Å; S364-Q373 CarbonylContact O-C 3.42Å; S364-Q373 WeakPolarHBondContact O-CA 3.3Å; S364-I374 PolarHBondContact O-N 3.1Å
365	F	98.9	Very high	98.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.073	C	C	.	.	S	Bend	trans	-63.7	-55.6	163	177.3	-104.1	0	0	0	109.9	F56 Y57 H130 M133 I134 Q373 I374 E375 L404	F56-F365 PolarHBondContact O-N 2.97Å; Y57-F365 HydrophobicContact CD2-CB 4.33Å; Y57-F365 AromaticContact CD2-CD1 3.46Å; Y57-F365 HydrophobicContact CD2-CD1 3.46Å; Y57-F365 VanDerWaalsContact CD2-CD1 3.46Å; Y57-F365 HydrophobicContact CD2-CE1 4.17Å; Y57-F365 HydrophobicContact CD2-CG 4.17Å; Y57-F365 AromaticContact CE2-CD1 3.59Å; Y57-F365 HydrophobicContact CE2-CD1 3.59Å; Y57-F365 AromaticContact CE2-CE1 3.82Å; Y57-F365 HydrophobicContact CE2-CE1 3.82Å; H130-F365 HydrophobicContact CB-CE1 3.76Å; H130-F365 HydrophobicContact CB-CZ 3.85Å; H130-F365 AromaticContact CD2-CE1 3.8Å; H130-F365 AromaticContact CD2-CZ 3.89Å; H130-F365 AromaticContact CG-CE1 3.48Å; H130-F365 VanDerWaalsContact CG-CE1 3.48Å; H130-F365 AromaticContact CG-CZ 3.82Å; H130-F365 AromaticContact ND1-CE1 3.66Å; M133-F365 HydrophobicContact CB-CE2 3.87Å; M133-F365 HydrophobicContact CB-CZ 4.11Å; M133-F365 HydrophobicContact SD-CE2 4.5Å; M133-F365 HydrophobicContact SD-CZ 4.1Å; I134-F365 HydrophobicContact CD1-CD1 4.25Å; I134-F365 HydrophobicContact CD1-CD2 4.14Å; I134-F365 HydrophobicContact CD1-CE1 4.28Å; I134-F365 HydrophobicContact CD1-CE2 4.15Å; I134-F365 HydrophobicContact CD1-CG 4.19Å; I134-F365 HydrophobicContact CD1-CZ 4.22Å; I134-F365 HydrophobicContact CG1-CD2 3.54Å; I134-F365 HydrophobicContact CG1-CE2 3.54Å; I134-F365 HydrophobicContact CG1-CG 4.06Å; I134-F365 HydrophobicContact CG1-CZ 4.08Å; F365-Q373 WeakPolarHBondContact O-CA 3.19Å; F365-Q373 VanDerWaalsContact O-CB 3.3Å; F365-Q373 WeakPolarHBondContact O-CB 3.25Å; F365-I374 HydrophobicContact CD2-CD1 4.45Å; F365-I374 HydrophobicContact CD2-CG1 4.15Å; F365-I374 PolarHBondContact O-N 2.83Å; F365-I374 VanDerWaalsContact O-N 3.13Å; F365-E375 HydrophobicContact CE1-CG 4.29Å; F365-E375 HydrophobicContact CE2-CB 4.48Å; F365-E375 HydrophobicContact CZ-CB 4.29Å; F365-E375 HydrophobicContact CZ-CG 3.99Å; F365-E375 VanDerWaalsContact O-CB 3.3Å; F365-E375 WeakPolarHBondContact O-CB 3.39Å; F365-E375 PolarHBondContact O-N 3.36Å; F365-L404 HydrophobicContact CE2-CD2 4.46Å
366	N	98.7	Very high	98.2	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.07	C	C	.	.	S	Bend	trans	-143.9	31.4	-167.5	71.1	-26	0	0	0	116.1	Y58 Y61 Y119 W368 E375	Y58-N366 PolarHBondContact N-OD1 3.41Å; Y58-N366 PolarHBondContact O-ND2 3.13Å; Y61-N366 VanDerWaalsContact CE2-O 3.27Å; Y61-N366 WeakPolarHBondContact CE2-O 3.31Å; Y61-N366 PolarHBondContact OH-O 3.4Å; Y119-N366 PolarHBondContact OH-ND2 2.88Å; N366-W368 PolarHBondContact O-N 2.81Å; N366-W368 VanDerWaalsContact O-N 3.1Å; N366-E375 HydrophobicContact CB-CB 4.45Å; N366-E375 WeakPolarHBondContact CB-OE2 3.43Å
367	E	98	Very high	98.2	Very high	4 Å²	4	6 Å²	6	2%	0.019	3%	0.033	C	C	.	.			trans	-80	92.1	170.7	-172.7	42.9	-114.1	0	0	111.2	Y58 W60 Y61 S364 H369 E370 G371 T372	Y58-E367 VanDerWaalsContact CD1-OE2 3.3Å; Y58-E367 WeakPolarHBondContact CD1-OE2 3.36Å; Y58-E367 HydrophobicContact CD2-CB 3.63Å; Y58-E367 HydrophobicContact CD2-CG 4.4Å; Y58-E367 HydrophobicContact CE2-CB 3.55Å; Y58-E367 HydrophobicContact CE2-CG 4.26Å; Y58-E367 HydrophobicContact CG-CB 4.34Å; W60-E367 WeakPolarHBondContact CZ2-OE2 3.27Å; W60-E367 PolarHBondContact NE1-OE2 2.94Å; Y61-E367 VanDerWaalsContact OH-CD 3.28Å; Y61-E367 PolarHBondContact OH-OE1 2.78Å; Y61-E367 PolarHBondContact OH-OE2 3.35Å; S364-E367 WeakPolarHBondContact OG-CA 3.49Å; S364-E367 WeakPolarHBondContact OG-CB 3.22Å; S364-E367 PolarHBondContact OG-N 3.41Å; E367-H369 WeakPolarHBondContact OE1-CB 3.29Å; E367-H369 IonicContact OE1-CD2 3.56Å; E367-H369 IonicContact OE1-CG 3.78Å; E367-H369 PolarHBondContact OE1-N 2.88Å; E367-H369 IonicContact OE1-ND1 2.75Å; E367-E370 HydrophobicContact CG-CB 4.01Å; E367-E370 HydrophobicContact CG-CG 3.86Å; E367-G371 PolarHBondContact O-N 3.49Å; E367-T372 PolarHBondContact O-N 3.28Å; E367-T372 PolarHBondContact O-OG1 3.48Å
368	W	98.5	Very high	98.2	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-28.9	-176.4	-67.8	100.8	0	0	0	113.4	Y61 W81 S110 F112 P114 Y119 N366 E370 G371 Q373 E375 A377	Y61-W368 HydrophobicContact CE1-CB 4.1Å; Y61-W368 AromaticContact CE2-CD1 3.72Å; Y61-W368 AromaticContact CZ-CD1 3.71Å; Y61-W368 WeakPolarHBondContact OH-CB 3.4Å; Y61-W368 PolarHBondContact OH-N 3.4Å; W81-W368 HydrophobicContact CH2-CB 4.5Å; W81-W368 AromaticContact CH2-CD1 3.54Å; W81-W368 HydrophobicContact CH2-CD2 4.34Å; W81-W368 AromaticContact CH2-CG 3.88Å; W81-W368 HydrophobicContact CH2-CG 3.88Å; W81-W368 AromaticContact CH2-NE1 3.82Å; W81-W368 HydrophobicContact CZ3-CB 4.06Å; W81-W368 AromaticContact CZ3-CD1 3.98Å; W81-W368 HydrophobicContact CZ3-CD2 4.42Å; W81-W368 AromaticContact CZ3-CG 3.87Å; W81-W368 HydrophobicContact CZ3-CG 3.87Å; S110-W368 WeakPolarHBondContact CA-O 3.13Å; S110-W368 WeakPolarHBondContact CB-O 3.39Å; S110-W368 PolarHBondContact OG-O 3.36Å; F112-W368 HydrophobicContact CB-CE3 4.06Å; F112-W368 HydrophobicContact CB-CZ3 3.68Å; P114-W368 HydrophobicContact CB-CH2 3.71Å; P114-W368 HydrophobicContact CB-CZ2 3.49Å; P114-W368 VanDerWaalsContact CB-CZ2 3.49Å; P114-W368 HydrophobicContact CB-CZ3 4.33Å; P114-W368 HydrophobicContact CG-CD2 3.91Å; P114-W368 HydrophobicContact CG-CE3 4.06Å; P114-W368 HydrophobicContact CG-CH2 3.87Å; P114-W368 HydrophobicContact CG-CZ2 3.67Å; P114-W368 HydrophobicContact CG-CZ3 4.03Å; Y119-W368 PolarHBondContact OH-NE1 2.7Å; N366-W368 PolarHBondContact O-N 2.81Å; N366-W368 VanDerWaalsContact O-N 3.1Å; W368-E370 VanDerWaalsContact C-N 3.27Å; W368-E370 PolarHBondContact O-N 3.11Å; W368-G371 PolarHBondContact O-N 3.02Å; W368-Q373 HydrophobicContact CD2-CG 4.06Å; W368-Q373 HydrophobicContact CE3-CG 3.73Å; W368-Q373 HydrophobicContact CH2-CG 3.65Å; W368-Q373 HydrophobicContact CZ2-CG 4Å; W368-Q373 HydrophobicContact CZ3-CG 3.53Å; W368-E375 HydrophobicContact CH2-CB 4.43Å; W368-E375 HydrophobicContact CZ2-CB 3.88Å; W368-E375 VanDerWaalsContact CZ2-CD 3.44Å; W368-E375 HydrophobicContact CZ2-CG 3.98Å; W368-E375 WeakPolarHBondContact CZ2-OE2 3.24Å; W368-E375 PolarHBondContact NE1-OE2 3.1Å; W368-E375 VanDerWaalsContact NE1-OE2 3.13Å; W368-A377 HydrophobicContact CH2-CB 4.19Å; W368-A377 HydrophobicContact CZ3-CB 4.16Å
369	H	97.6	Very high	98.1	Very high	15 Å²	15	7.1 Å²	7.1	7%	0.069	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-36.5	-179	-63.7	176.1	0	0	0	111.5	Y61 H80 H83 A109 D325 V328 E367	Y61-H369 AromaticContact CE1-CD2 3.97Å; Y61-H369 AromaticContact CE1-NE2 3.71Å; H80-H369 AromaticContact CG-CE1 3.8Å; H80-H369 AromaticContact ND1-CE1 3.26Å; H80-H369 PolarHBondContact ND1-CE1 3.4Å; H80-H369 VanDerWaalsContact ND1-CE1 3.26Å; H80-H369 AromaticContact ND1-ND1 3.99Å; H80-H369 PolarHBondContact O-CE1 3.34Å; H80-H369 PolarHBondContact O-NE2 3.49Å; H83-H369 VanDerWaalsContact CB-CE1 3.5Å; H83-H369 WeakPolarHBondContact CB-CE1 3.28Å; H83-H369 AromaticContact CD2-CE1 3.49Å; H83-H369 PolarHBondContact CD2-CE1 2.73Å; H83-H369 VanDerWaalsContact CD2-CE1 3.49Å; H83-H369 AromaticContact CD2-ND1 3.68Å; H83-H369 AromaticContact CG-CE1 3.69Å; H83-H369 AromaticContact CG-ND1 4Å; A109-H369 WeakPolarHBondContact O-CA 3.43Å; A109-H369 PolarHBondContact O-CD2 2.84Å; D325-H369 VanDerWaalsContact CA-O 3.32Å; D325-H369 WeakPolarHBondContact CA-O 3.29Å; V328-H369 HydrophobicContact CG2-CB 3.93Å; E367-H369 WeakPolarHBondContact OE1-CB 3.29Å; E367-H369 IonicContact OE1-CD2 3.56Å; E367-H369 IonicContact OE1-CG 3.78Å; E367-H369 PolarHBondContact OE1-N 2.88Å; E367-H369 IonicContact OE1-ND1 2.75Å
370	E	97	Very high	98	Very high	40 Å²	40	8.5 Å²	8.5	19%	0.187	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-6.9	-179.5	-59.1	-167.4	162	0	0	113.1	Y323 H324 E367 W368 T372	Y323-E370 HydrophobicContact CD2-CB 3.98Å; Y323-E370 HydrophobicContact CE2-CB 3.7Å; Y323-E370 HydrophobicContact CE2-CG 3.89Å; H324-E370 CarbonylContact C-O 3.57Å; H324-E370 PolarHBondContact N-O 2.85Å; E367-E370 HydrophobicContact CG-CB 4.01Å; E367-E370 HydrophobicContact CG-CG 3.86Å; W368-E370 VanDerWaalsContact C-N 3.27Å; W368-E370 PolarHBondContact O-N 3.11Å; E370-T372 HydrophobicContact CB-CG2 3.72Å; E370-T372 PolarHBondContact O-N 2.92Å
371	G	97.8	Very high	97.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	24.9	-177.4	0	0	0	0	0	113	R339 E367 W368 Q373	R339-G371 PolarHBondContact NH2-O 2.79Å; E367-G371 PolarHBondContact O-N 3.49Å; W368-G371 PolarHBondContact O-N 3.02Å; G371-Q373 PolarHBondContact O-OE1 3.26Å
372	T	98.2	Very high	97	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.081	C	C	.	.			trans	-93.6	-0.7	-176.3	59.7	0	0	0	0	112.6	V288 P321 G322 Y323 V363 S364 E367 E370	V288-T372 HydrophobicContact CG2-CG2 4.22Å; P321-T372 WeakPolarHBondContact CD-O 3.24Å; P321-T372 WeakPolarHBondContact CG-O 3.13Å; G322-T372 WeakPolarHBondContact O-CG2 3.3Å; Y323-T372 HydrophobicContact CD2-CG2 3.84Å; V363-T372 CarbonylContact C-O 3.52Å; V363-T372 HydrophobicContact CG1-CG2 4.13Å; V363-T372 WeakPolarHBondContact O-CB 3.49Å; S364-T372 PolarHBondContact N-O 3.27Å; S364-T372 PolarHBondContact OG-OG1 2.94Å; E367-T372 PolarHBondContact O-N 3.28Å; E367-T372 PolarHBondContact O-OG1 3.48Å; E370-T372 HydrophobicContact CB-CG2 3.72Å; E370-T372 PolarHBondContact O-N 2.92Å
373	Q	98.6	Very high	96.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.108	C	C	.	.			trans	-64.8	138.3	-173.5	77.1	-66.3	-22.3	0	0	113.8	F112 R339 S364 F365 W368 G371 E375 Y395	F112-Q373 VanDerWaalsContact CB-NE2 3.3Å; R339-Q373 VanDerWaalsContact CZ-O 3.28Å; R339-Q373 PolarHBondContact NH1-O 2.65Å; R339-Q373 PolarHBondContact NH2-O 3.31Å; S364-Q373 CarbonylContact O-C 3.42Å; S364-Q373 WeakPolarHBondContact O-CA 3.3Å; F365-Q373 WeakPolarHBondContact O-CA 3.19Å; F365-Q373 VanDerWaalsContact O-CB 3.3Å; F365-Q373 WeakPolarHBondContact O-CB 3.25Å; W368-Q373 HydrophobicContact CD2-CG 4.06Å; W368-Q373 HydrophobicContact CE3-CG 3.73Å; W368-Q373 HydrophobicContact CH2-CG 3.65Å; W368-Q373 HydrophobicContact CZ2-CG 4Å; W368-Q373 HydrophobicContact CZ3-CG 3.53Å; G371-Q373 PolarHBondContact O-OE1 3.26Å; Q373-E375 HydrophobicContact CB-CB 4.26Å; Q373-E375 HydrophobicContact CG-CB 4.36Å; Q373-Y395 PolarHBondContact NE2-OH 3.39Å; Q373-Y395 PolarHBondContact O-OH 3.42Å
374	I	98.8	Very high	94.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.114	C	C	.	.			trans	-89.5	-10.4	160.5	64.4	164.9	0	0	0	112.1	A137 I139 P321 Y345 I362 S364 F365 L404 T407	A137-I374 HydrophobicContact CB-CD1 4.44Å; I139-I374 HydrophobicContact CD1-CD1 3.75Å; P321-I374 HydrophobicContact CG-CG2 4.1Å; Y345-I374 HydrophobicContact CE1-CG2 4.21Å; I362-I374 HydrophobicContact CG2-CD1 4.43Å; I362-I374 HydrophobicContact CG2-CG2 4.11Å; S364-I374 PolarHBondContact O-N 3.1Å; F365-I374 HydrophobicContact CD2-CD1 4.45Å; F365-I374 HydrophobicContact CD2-CG1 4.15Å; F365-I374 PolarHBondContact O-N 2.83Å; F365-I374 VanDerWaalsContact O-N 3.13Å; I374-L404 HydrophobicContact CD1-CD2 4.1Å; I374-L404 HydrophobicContact CG1-CD2 4.24Å; I374-T407 HydrophobicContact CD1-CG2 4.16Å
375	E	98.7	Very high	93.2	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	16%	0.156	C	C	.	.	S	Bend	trans	-52.9	148.8	171.8	-162.4	-169.6	147	0	0	110.8	Y119 H130 M133 F365 N366 W368 Q373 A377 Y395	Y119-E375 WeakPolarHBondContact CE1-OE1 3.42Å; Y119-E375 PolarHBondContact OH-OE2 2.72Å; H130-E375 IonicContact NE2-OE1 2.82Å; H130-E375 IonicContact NE2-OE2 3.33Å; M133-E375 HydrophobicContact SD-CG 4.08Å; F365-E375 HydrophobicContact CE1-CG 4.29Å; F365-E375 HydrophobicContact CE2-CB 4.48Å; F365-E375 HydrophobicContact CZ-CB 4.29Å; F365-E375 HydrophobicContact CZ-CG 3.99Å; F365-E375 VanDerWaalsContact O-CB 3.3Å; F365-E375 WeakPolarHBondContact O-CB 3.39Å; F365-E375 PolarHBondContact O-N 3.36Å; N366-E375 HydrophobicContact CB-CB 4.45Å; N366-E375 WeakPolarHBondContact CB-OE2 3.43Å; W368-E375 HydrophobicContact CH2-CB 4.43Å; W368-E375 HydrophobicContact CZ2-CB 3.88Å; W368-E375 VanDerWaalsContact CZ2-CD 3.44Å; W368-E375 HydrophobicContact CZ2-CG 3.98Å; W368-E375 WeakPolarHBondContact CZ2-OE2 3.24Å; W368-E375 PolarHBondContact NE1-OE2 3.1Å; W368-E375 VanDerWaalsContact NE1-OE2 3.13Å; Q373-E375 HydrophobicContact CB-CB 4.26Å; Q373-E375 HydrophobicContact CG-CB 4.36Å; E375-A377 PolarHBondContact O-N 2.87Å; E375-Y395 PolarHBondContact O-OH 2.78Å
376	S	98.1	Very high	91.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.196	C	C	.	.			trans	-64.1	125.5	-175.6	-66.3	0	0	0	0	112.6	K115 P400 E401	K115-S376 WeakPolarHBondContact CB-O 3.43Å; K115-S376 PolarHBondContact N-O 3.13Å; S376-P400 WeakPolarHBondContact CA-O 3.5Å; S376-P400 WeakPolarHBondContact CB-O 3.29Å; S376-P400 PolarHBondContact OG-O 2.69Å; S376-P400 VanDerWaalsContact OG-O 3.13Å; S376-E401 PolarHBondContact OG-OE1 3.39Å
377	A	97.8	Very high	90.1	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.008	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	149.6	175.7	0	0	0	0	0	111	F112 Y113 W368 E375 Y395 P400	F112-A377 HydrophobicContact CB-CB 4.06Å; F112-A377 HydrophobicContact CD1-CB 4.18Å; Y113-A377 CarbonylContact O-C 3.56Å; Y113-A377 VanDerWaalsContact O-CA 3.22Å; Y113-A377 WeakPolarHBondContact O-CA 3.36Å; Y113-A377 WeakPolarHBondContact O-CB 3.21Å; W368-A377 HydrophobicContact CH2-CB 4.19Å; W368-A377 HydrophobicContact CZ3-CB 4.16Å; E375-A377 PolarHBondContact O-N 2.87Å; A377-Y395 HydrophobicContact CB-CD2 4.45Å; A377-Y395 HydrophobicContact CB-CE1 3.93Å; A377-Y395 HydrophobicContact CB-CE2 3.82Å; A377-P400 WeakPolarHBondContact O-CA 3.43Å; A377-P400 VanDerWaalsContact O-CB 3.26Å; A377-P400 WeakPolarHBondContact O-CB 3.46Å
378	I	96.8	Very high	88.8	Confident	21 Å²	21	49.6 Å²	49.6	11%	0.108	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	151.9	179.5	55.5	169.7	0	0	0	111.5	I20 Y113 K115 F380 P400	I20-I378 HydrophobicContact CD1-CD1 3.64Å; Y113-I378 HydrophobicContact CD1-CD1 4.06Å; Y113-I378 HydrophobicContact CD1-CG1 3.99Å; Y113-I378 PolarHBondContact O-N 2.78Å; K115-I378 HydrophobicContact CB-CG2 3.86Å; K115-I378 HydrophobicContact CD-CG2 4.44Å; K115-I378 HydrophobicContact CG-CG2 3.88Å; I378-F380 PolarHBondContact O-N 2.8Å; I378-P400 HydrophobicContact CG2-CB 4.34Å; I378-P400 HydrophobicContact CG2-CG 3.76Å
379	P	96.2	Very high	88.2	Confident	65 Å²	65	52.9 Å²	52.9	42%	0.422	26%	0.261	S	S	.	.			trans	-56.8	125.4	165.8	-20.7	32.4	0	0	0	110.2	D394 L396	P379-D394 HydrophobicContact CB-CB 4.1Å; P379-D394 HydrophobicContact CG-CB 3.85Å; P379-L396 HydrophobicContact CB-CD1 4.21Å; P379-L396 HydrophobicContact CG-CD1 3.64Å; P379-L396 HydrophobicContact CG-CD2 4.01Å; P379-L396 HydrophobicContact CG-CG 3.7Å
380	F	94.9	Very high	87.7	Confident	30 Å²	30	54.1 Å²	54.1	13%	0.132	27%	0.265	C	S	.	.			trans	-142.6	141.5	178.4	-166.9	-93.7	0	0	0	110.8	I22 Y113 I378 W382 Y392	I22-F380 HydrophobicContact CD1-CE2 3.92Å; I22-F380 HydrophobicContact CD1-CZ 4.15Å; Y113-F380 VanDerWaalsContact CB-CB 3.48Å; Y113-F380 HydrophobicContact CD1-CB 4.17Å; Y113-F380 AromaticContact CD1-CD2 3.98Å; Y113-F380 HydrophobicContact CD1-CD2 3.98Å; Y113-F380 HydrophobicContact CD1-CG 4.05Å; Y113-F380 HydrophobicContact CD2-CB 3.93Å; Y113-F380 AromaticContact CD2-CD1 3.49Å; Y113-F380 HydrophobicContact CD2-CD1 3.49Å; Y113-F380 VanDerWaalsContact CD2-CD1 3.49Å; Y113-F380 HydrophobicContact CD2-CD2 4.15Å; Y113-F380 AromaticContact CD2-CE1 3.98Å; Y113-F380 HydrophobicContact CD2-CE1 3.98Å; Y113-F380 AromaticContact CD2-CG 3.58Å; Y113-F380 HydrophobicContact CD2-CG 3.58Å; Y113-F380 HydrophobicContact CD2-CZ 4.49Å; Y113-F380 HydrophobicContact CE1-CD2 4.01Å; Y113-F380 HydrophobicContact CE1-CE2 4.17Å; Y113-F380 HydrophobicContact CE1-CG 4.39Å; Y113-F380 AromaticContact CE2-CD1 3.7Å; Y113-F380 HydrophobicContact CE2-CD1 3.7Å; Y113-F380 HydrophobicContact CE2-CD2 4.18Å; Y113-F380 AromaticContact CE2-CE1 3.68Å; Y113-F380 HydrophobicContact CE2-CE1 3.68Å; Y113-F380 HydrophobicContact CE2-CE2 4.15Å; Y113-F380 AromaticContact CE2-CG 3.96Å; Y113-F380 HydrophobicContact CE2-CG 3.96Å; Y113-F380 AromaticContact CE2-CZ 3.91Å; Y113-F380 HydrophobicContact CE2-CZ 3.91Å; Y113-F380 HydrophobicContact CG-CB 3.58Å; Y113-F380 HydrophobicContact CG-CD1 4.04Å; Y113-F380 HydrophobicContact CG-CD2 4.04Å; Y113-F380 AromaticContact CG-CG 3.62Å; Y113-F380 HydrophobicContact CG-CG 3.62Å; Y113-F380 AromaticContact CZ-CE2 3.93Å; I378-F380 PolarHBondContact O-N 2.8Å; F380-W382 HydrophobicContact CE1-CB 4.37Å; F380-Y392 HydrophobicContact CB-CD2 4.13Å; F380-Y392 HydrophobicContact CB-CG 4.39Å; F380-Y392 AromaticContact CD1-CD2 3.69Å; F380-Y392 HydrophobicContact CD1-CD2 3.69Å; F380-Y392 AromaticContact CD1-CE2 3.66Å; F380-Y392 HydrophobicContact CD1-CE2 3.66Å; F380-Y392 HydrophobicContact CE1-CE2 4.27Å; F380-Y392 HydrophobicContact CG-CD2 4.4Å; F380-Y392 PolarHBondContact O-N 3.06Å
381	K	91.4	Very high	87.5	Confident	127 Å²	127	57.2 Å²	57.2	55%	0.552	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.9	123.2	175.7	-177.1	179	-179.1	-176.5	0	109.7	I383 R390 V391	K381-I383 HydrophobicContact CD-CD1 4.3Å; K381-I383 HydrophobicContact CD-CG1 4.15Å; K381-I383 HydrophobicContact CG-CG1 4.12Å; K381-R390 CarbonylContact C-O 3.58Å; K381-R390 WeakPolarHBondContact CA-O 3.2Å; K381-V391 HydrophobicContact CD-CG2 4.21Å; K381-V391 HydrophobicContact CG-CG2 4.11Å
382	W	84.6	Confident	87.4	Confident	50 Å²	50	57.4 Å²	57.4	19%	0.189	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	126.1	166.6	171.6	-119.2	0	0	0	109.6	Y106 F380 T387 S389 R390	Y106-W382 AromaticContact CD1-CE3 3.8Å; Y106-W382 HydrophobicContact CD1-CE3 3.8Å; Y106-W382 HydrophobicContact CD1-CH2 4.44Å; Y106-W382 AromaticContact CD1-CZ3 3.63Å; Y106-W382 HydrophobicContact CD1-CZ3 3.63Å; Y106-W382 HydrophobicContact CD2-CH2 4.19Å; Y106-W382 HydrophobicContact CD2-CZ3 4.17Å; Y106-W382 HydrophobicContact CE1-CZ3 4.17Å; Y106-W382 HydrophobicContact CG-CD2 4.29Å; Y106-W382 AromaticContact CG-CE3 3.75Å; Y106-W382 HydrophobicContact CG-CE3 3.75Å; Y106-W382 HydrophobicContact CG-CH2 4.07Å; Y106-W382 AromaticContact CG-CZ3 3.63Å; Y106-W382 HydrophobicContact CG-CZ3 3.63Å; F380-W382 HydrophobicContact CE1-CB 4.37Å; W382-T387 PolarHBondContact NE1-OG1 2.99Å; W382-T387 VanDerWaalsContact NE1-OG1 3.14Å; W382-S389 CarbonylContact O-C 3.54Å; W382-S389 VanDerWaalsContact O-CA 3.32Å; W382-S389 WeakPolarHBondContact O-CA 2.95Å; W382-R390 HydrophobicContact CB-CB 4.48Å; W382-R390 PolarHBondContact N-O 3.45Å; W382-R390 PolarHBondContact O-N 3.26Å
383	I	82.4	Confident	87.4	Confident	112 Å²	112	60.9 Å²	60.9	57%	0.574	30%	0.304	S	S	*	.			trans	-109.5	98.2	171.2	-58.6	176.9	0	0	0	107	K381	K381-I383 HydrophobicContact CD-CD1 4.3Å; K381-I383 HydrophobicContact CD-CG1 4.15Å; K381-I383 HydrophobicContact CG-CG1 4.12Å
384	G	71.1	Confident	87.2	Confident	13 Å²	13	63.6 Å²	63.6	13%	0.134	32%	0.319	C	S	.	.			trans	-80.7	143.2	174.2	0	0	0	0	0	111.6	T387 S389	G384-T387 CarbonylContact C-O 3.47Å; G384-T387 WeakPolarHBondContact CA-O 3.22Å; G384-S389 PolarHBondContact N-OG 2.73Å
385	Y	63.9	Low	87.1	Confident	225 Å²	225	64 Å²	64	88%	0.882	32%	0.32	S	S	*	.	S	Bend	trans	-87.9	-37.1	167.1	-171.7	-95.4	0	0	0	111.7
386	L	64	Low	87	Confident	160 Å²	160	68.8 Å²	68.8	84%	0.838	35%	0.346	S	S	*	.	S	Bend	trans	-111.1	-7.9	-179.1	-61.8	178.5	0	0	0	113.8
387	T	68.2	Low	86.8	Confident	35 Å²	35	72.4 Å²	72.4	22%	0.215	37%	0.369	C	S	.	.	S	Bend	trans	-123.5	155.8	177.6	57.8	0	0	0	0	109.1	E100 W382 G384 S389	E100-T387 WeakPolarHBondContact OE1-CB 3.5Å; E100-T387 WeakPolarHBondContact OE1-CG2 3.39Å; W382-T387 PolarHBondContact NE1-OG1 2.99Å; W382-T387 VanDerWaalsContact NE1-OG1 3.14Å; G384-T387 CarbonylContact C-O 3.47Å; G384-T387 WeakPolarHBondContact CA-O 3.22Å; T387-S389 PolarHBondContact O-N 2.85Å
388	E	71.3	Confident	86.8	Confident	147 Å²	147	73.8 Å²	73.8	69%	0.687	38%	0.375	S	S	*	.			trans	-58.8	132.1	178.6	-71	-177.3	-179.9	0	0	110.3
389	S	84.7	Confident	86.8	Confident	69 Å²	69	74.3 Å²	74.3	48%	0.483	38%	0.378	S	S	.	.			trans	-62.8	141.2	171.8	-69.1	0	0	0	0	109.5	W382 G384 T387	W382-S389 CarbonylContact O-C 3.54Å; W382-S389 VanDerWaalsContact O-CA 3.32Å; W382-S389 WeakPolarHBondContact O-CA 2.95Å; G384-S389 PolarHBondContact N-OG 2.73Å; T387-S389 PolarHBondContact O-N 2.85Å
390	R	87.1	Confident	86.9	Confident	40 Å²	40	72.5 Å²	72.5	15%	0.151	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	131.9	-178.8	-173.5	176.9	-172.4	-179.4	12.6	111.4	L107 L108 S110 S327 K381 W382 Y392	L107-R390 HydrophobicContact CD1-CB 4.3Å; L107-R390 VanDerWaalsContact CD1-CD 3.47Å; L108-R390 PolarHBondContact O-NH1 3.49Å; S110-R390 PolarHBondContact O-NH1 2.83Å; S110-R390 PolarHBondContact O-NH2 2.81Å; S327-R390 VanDerWaalsContact CB-NH2 3.29Å; S327-R390 PolarHBondContact OG-NH1 2.87Å; S327-R390 VanDerWaalsContact OG-NH1 3.07Å; S327-R390 PolarHBondContact OG-NH2 3.13Å; K381-R390 CarbonylContact C-O 3.58Å; K381-R390 WeakPolarHBondContact CA-O 3.2Å; W382-R390 HydrophobicContact CB-CB 4.48Å; W382-R390 PolarHBondContact N-O 3.45Å; W382-R390 PolarHBondContact O-N 3.26Å; R390-Y392 HydrophobicContact CB-CE2 4.49Å; R390-Y392 HydrophobicContact CG-CD2 4.27Å; R390-Y392 HydrophobicContact CG-CE2 4.15Å
391	V	92.5	Very high	87	Confident	105 Å²	105	71.7 Å²	71.7	64%	0.636	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.1	123.8	164.5	-176.5	0	0	0	0	107	K381	K381-V391 HydrophobicContact CD-CG2 4.21Å; K381-V391 HydrophobicContact CG-CG2 4.11Å
392	Y	96.2	Very high	87.3	Confident	4 Å²	4	65.7 Å²	65.7	2%	0.016	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-80.1	151.7	174.6	-72.9	-104.2	0	0	0	109.7	Y106 L107 L108 S110 F112 Y113 F380 R390	Y106-Y392 PolarHBondContact O-OH 3.19Å; L107-Y392 VanDerWaalsContact CA-OH 3.28Å; L107-Y392 WeakPolarHBondContact CA-OH 3.37Å; L108-Y392 HydrophobicContact CB-CE1 4.34Å; L108-Y392 PolarHBondContact N-OH 3.46Å; S110-Y392 VanDerWaalsContact O-CE1 3.27Å; S110-Y392 WeakPolarHBondContact O-CE1 3.47Å; F112-Y392 VanDerWaalsContact C-CD1 3.5Å; Y113-Y392 HydrophobicContact CD2-CD1 4.34Å; Y113-Y392 HydrophobicContact CD2-CD2 4.45Å; Y113-Y392 HydrophobicContact CD2-CE1 4.08Å; Y113-Y392 HydrophobicContact CD2-CE2 4.18Å; Y113-Y392 AromaticContact CD2-CZ 3.97Å; F380-Y392 HydrophobicContact CB-CD2 4.13Å; F380-Y392 HydrophobicContact CB-CG 4.39Å; F380-Y392 AromaticContact CD1-CD2 3.69Å; F380-Y392 HydrophobicContact CD1-CD2 3.69Å; F380-Y392 AromaticContact CD1-CE2 3.66Å; F380-Y392 HydrophobicContact CD1-CE2 3.66Å; F380-Y392 HydrophobicContact CE1-CE2 4.27Å; F380-Y392 HydrophobicContact CG-CD2 4.4Å; F380-Y392 PolarHBondContact O-N 3.06Å; R390-Y392 HydrophobicContact CB-CE2 4.49Å; R390-Y392 HydrophobicContact CG-CD2 4.27Å; R390-Y392 HydrophobicContact CG-CE2 4.15Å
393	M	97.2	Very high	88	Confident	73 Å²	73	63.7 Å²	63.7	36%	0.36	33%	0.33	S	S	.	.	B	Isolated β-bridge	trans	-68.1	152.1	168	-60	177.7	75.2	0	0	109.5	S111 F112 H324	S111-M393 PolarHBondContact O-N 3.28Å; F112-M393 HydrophobicContact CD1-CB 3.68Å; F112-M393 VanDerWaalsContact CD1-O 3.24Å; F112-M393 WeakPolarHBondContact CD1-O 3.39Å; F112-M393 HydrophobicContact CD2-CB 4.38Å; F112-M393 HydrophobicContact CE1-CB 3.38Å; F112-M393 HydrophobicContact CE2-CB 4.13Å; F112-M393 HydrophobicContact CE2-CE 4.44Å; F112-M393 HydrophobicContact CE2-SD 4Å; F112-M393 HydrophobicContact CG-CB 4.17Å; F112-M393 HydrophobicContact CZ-CB 3.63Å; F112-M393 HydrophobicContact CZ-CE 3.91Å; F112-M393 HydrophobicContact CZ-CG 4.42Å; F112-M393 HydrophobicContact CZ-SD 3.96Å; H324-M393 HydrophobicContact CB-SD 4.26Å; H324-M393 PolarHBondContact CD2-SD 3.25Å
394	D	95.4	Very high	88.8	Confident	57 Å²	57	58.3 Å²	58.3	31%	0.305	30%	0.302	S	S	.	.			trans	-145.2	-178.7	-177.7	63.5	56	0	0	0	111.4	P379 L396	P379-D394 HydrophobicContact CB-CB 4.1Å; P379-D394 HydrophobicContact CG-CB 3.85Å; D394-L396 WeakPolarHBondContact OD1-CB 3.12Å; D394-L396 VanDerWaalsContact OD1-CG 3.32Å; D394-L396 WeakPolarHBondContact OD1-CG 3.45Å; D394-L396 PolarHBondContact OD1-N 2.91Å
395	Y	97	Very high	90.1	Very high	8 Å²	8	58.2 Å²	58.2	3%	0.031	30%	0.298	C	S	.	.			trans	-103.1	10.8	-178.2	-55.1	-18.1	0	0	0	112.6	F112 R339 Q373 E375 A377 Y398 P400 Y403	F112-Y395 HydrophobicContact CD1-CD1 4.39Å; F112-Y395 AromaticContact CD1-CE1 3.8Å; F112-Y395 HydrophobicContact CD1-CE1 3.8Å; F112-Y395 HydrophobicContact CE1-CD1 4.1Å; F112-Y395 AromaticContact CE1-CE1 3.69Å; F112-Y395 HydrophobicContact CE1-CE1 3.69Å; R339-Y395 PolarHBondContact NH1-OH 2.93Å; Q373-Y395 PolarHBondContact NE2-OH 3.39Å; Q373-Y395 PolarHBondContact O-OH 3.42Å; E375-Y395 PolarHBondContact O-OH 2.78Å; A377-Y395 HydrophobicContact CB-CD2 4.45Å; A377-Y395 HydrophobicContact CB-CE1 3.93Å; A377-Y395 HydrophobicContact CB-CE2 3.82Å; Y395-Y398 WeakPolarHBondContact O-CA 3.46Å; Y395-Y398 VanDerWaalsContact O-CB 3.29Å; Y395-Y398 WeakPolarHBondContact O-CB 3.43Å; Y395-Y398 VanDerWaalsContact O-CD2 3.29Å; Y395-Y398 WeakPolarHBondContact O-CD2 3.31Å; Y395-Y398 PolarHBondContact O-N 2.86Å; Y395-P400 WeakPolarHBondContact CD2-O 3.39Å; Y395-P400 WeakPolarHBondContact CE2-O 3.41Å; Y395-Y403 AromaticContact CD1-CD2 3.89Å; Y395-Y403 HydrophobicContact CD1-CD2 3.89Å; Y395-Y403 AromaticContact CD1-CE2 3.48Å; Y395-Y403 HydrophobicContact CD1-CE2 3.48Å; Y395-Y403 VanDerWaalsContact CD1-CE2 3.48Å; Y395-Y403 AromaticContact CD2-CD2 3.85Å; Y395-Y403 HydrophobicContact CD2-CD2 3.85Å; Y395-Y403 HydrophobicContact CD2-CE2 4.2Å; Y395-Y403 AromaticContact CE1-CD2 3.67Å; Y395-Y403 HydrophobicContact CE1-CD2 3.67Å; Y395-Y403 AromaticContact CE1-CE2 3.53Å; Y395-Y403 HydrophobicContact CE1-CE2 3.53Å; Y395-Y403 AromaticContact CE2-CD2 3.63Å; Y395-Y403 HydrophobicContact CE2-CD2 3.63Å; Y395-Y403 HydrophobicContact CE2-CE2 4.25Å; Y395-Y403 AromaticContact CG-CD2 4Å; Y395-Y403 HydrophobicContact CG-CD2 4Å; Y395-Y403 AromaticContact CG-CE2 3.85Å; Y395-Y403 HydrophobicContact CG-CE2 3.85Å; Y395-Y403 AromaticContact CZ-CD2 3.55Å; Y395-Y403 AromaticContact CZ-CE2 3.95Å
396	L	95.6	Very high	91.7	Very high	103 Å²	103	47.5 Å²	47.5	54%	0.539	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	146.5	-177.4	-67.7	174.8	0	0	0	111.4	P379 D394 Y398	P379-L396 HydrophobicContact CB-CD1 4.21Å; P379-L396 HydrophobicContact CG-CD1 3.64Å; P379-L396 HydrophobicContact CG-CD2 4.01Å; P379-L396 HydrophobicContact CG-CG 3.7Å; D394-L396 WeakPolarHBondContact OD1-CB 3.12Å; D394-L396 VanDerWaalsContact OD1-CG 3.32Å; D394-L396 WeakPolarHBondContact OD1-CG 3.45Å; D394-L396 PolarHBondContact OD1-N 2.91Å; L396-Y398 VanDerWaalsContact C-N 3.28Å
397	P	95.5	Very high	93.4	Very high	76 Å²	76	39.9 Å²	39.9	49%	0.494	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	cis	-82.5	9.1	5	36	-37.6	0	0	0	114.5	I430	P397-I430 HydrophobicContact CG-CG2 4.34Å
398	Y	96.9	Very high	94.8	Very high	30 Å²	30	38.2 Å²	38.2	12%	0.118	21%	0.206	C	C	.	.	S	Bend	trans	-86.3	165.9	-177.4	-43.4	-61.6	0	0	0	112.1	Y395 L396 F402 I430 E431 R434	Y395-Y398 WeakPolarHBondContact O-CA 3.46Å; Y395-Y398 VanDerWaalsContact O-CB 3.29Å; Y395-Y398 WeakPolarHBondContact O-CB 3.43Å; Y395-Y398 VanDerWaalsContact O-CD2 3.29Å; Y395-Y398 WeakPolarHBondContact O-CD2 3.31Å; Y395-Y398 PolarHBondContact O-N 2.86Å; L396-Y398 VanDerWaalsContact C-N 3.28Å; Y398-F402 HydrophobicContact CD1-CD2 4.34Å; Y398-F402 HydrophobicContact CD1-CE2 4.41Å; Y398-F402 HydrophobicContact CD2-CD1 4.27Å; Y398-F402 AromaticContact CD2-CD2 3.97Å; Y398-F402 HydrophobicContact CD2-CD2 3.97Å; Y398-F402 HydrophobicContact CD2-CE1 4.31Å; Y398-F402 AromaticContact CD2-CE2 3.98Å; Y398-F402 HydrophobicContact CD2-CE2 3.98Å; Y398-F402 HydrophobicContact CD2-CG 4.09Å; Y398-F402 HydrophobicContact CD2-CZ 4.15Å; Y398-F402 HydrophobicContact CE2-CE2 4.32Å; Y398-F402 HydrophobicContact CE2-CZ 4.29Å; Y398-F402 AromaticContact CG-CD2 3.75Å; Y398-F402 HydrophobicContact CG-CD2 3.75Å; Y398-F402 HydrophobicContact CG-CE2 4.04Å; Y398-F402 HydrophobicContact CG-CG 4.1Å; Y398-I430 HydrophobicContact CE1-CG2 4.11Å; Y398-E431 HydrophobicContact CD1-CB 3.82Å; Y398-E431 HydrophobicContact CD1-CG 3.91Å; Y398-E431 HydrophobicContact CG-CG 4.23Å; Y398-R434 HydrophobicContact CD1-CB 4.44Å; Y398-R434 HydrophobicContact CE1-CB 3.53Å; Y398-R434 HydrophobicContact CE1-CG 3.83Å; Y398-R434 HydrophobicContact CE2-CG 4.2Å; Y398-R434 WeakPolarHBondContact OH-CD 3.16Å; Y398-R434 VanDerWaalsContact OH-CG 3.28Å; Y398-R434 WeakPolarHBondContact OH-CG 3.44Å
399	T	96.9	Very high	96.1	Very high	31 Å²	31	31.9 Å²	31.9	19%	0.19	18%	0.177	C	C	.	.			trans	-71.7	161.8	177.3	65.2	0	0	0	0	111.7	E401 F402 R405 T427 E431	T399-E401 PolarHBondContact O-N 2.64Å; T399-F402 WeakPolarHBondContact O-CB 3.22Å; T399-F402 PolarHBondContact O-N 2.87Å; T399-R405 PolarHBondContact OG1-NH1 3.2Å; T399-T427 WeakPolarHBondContact CG2-OG1 3.49Å; T399-E431 VanDerWaalsContact CB-OE2 3.26Å; T399-E431 WeakPolarHBondContact CB-OE2 3.48Å; T399-E431 WeakPolarHBondContact CG2-OE2 3.36Å; T399-E431 PolarHBondContact N-OE2 2.88Å; T399-E431 PolarHBondContact OG1-OE1 3.31Å; T399-E431 PolarHBondContact OG1-OE2 2.82Å
400	P	97.4	Very high	96.7	Very high	27 Å²	27	28.6 Å²	28.6	18%	0.175	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-24	173.9	-29.4	38.6	0	0	0	114.3	K115 S376 A377 I378 Y395 F402	K115-P400 HydrophobicContact CD-CB 3.78Å; K115-P400 HydrophobicContact CD-CG 4.14Å; S376-P400 WeakPolarHBondContact CA-O 3.5Å; S376-P400 WeakPolarHBondContact CB-O 3.29Å; S376-P400 PolarHBondContact OG-O 2.69Å; S376-P400 VanDerWaalsContact OG-O 3.13Å; A377-P400 WeakPolarHBondContact O-CA 3.43Å; A377-P400 VanDerWaalsContact O-CB 3.26Å; A377-P400 WeakPolarHBondContact O-CB 3.46Å; I378-P400 HydrophobicContact CG2-CB 4.34Å; I378-P400 HydrophobicContact CG2-CG 3.76Å; Y395-P400 WeakPolarHBondContact CD2-O 3.39Å; Y395-P400 WeakPolarHBondContact CE2-O 3.41Å; P400-F402 VanDerWaalsContact C-N 3.35Å
401	E	97.6	Very high	97.3	Very high	14 Å²	14	26.7 Å²	26.7	7%	0.065	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	2.9	-178.9	-70.2	74.1	-158	0	0	114.2	I38 K115 S376 T399 Y403 L404 R405	I38-E401 HydrophobicContact CD1-CG 3.73Å; I38-E401 HydrophobicContact CG1-CG 4.18Å; K115-E401 WeakPolarHBondContact CD-OE1 3.32Å; K115-E401 IonicContact NZ-OE1 2.69Å; K115-E401 PolarHBondContact NZ-OE1 3.09Å; K115-E401 IonicContact NZ-OE2 3.99Å; S376-E401 PolarHBondContact OG-OE1 3.39Å; T399-E401 PolarHBondContact O-N 2.64Å; E401-Y403 PolarHBondContact O-N 3.34Å; E401-L404 HydrophobicContact CG-CD1 4.33Å; E401-L404 WeakPolarHBondContact O-CB 3.37Å; E401-L404 PolarHBondContact O-N 3.45Å; E401-R405 PolarHBondContact O-N 3.27Å
402	F	98.4	Very high	97.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-49.3	-49.6	-177.5	175	-107.9	0	0	0	113.9	Y398 T399 P400 L404 R405 L406 E431 R434 L435 L438	Y398-F402 HydrophobicContact CD1-CD2 4.34Å; Y398-F402 HydrophobicContact CD1-CE2 4.41Å; Y398-F402 HydrophobicContact CD2-CD1 4.27Å; Y398-F402 AromaticContact CD2-CD2 3.97Å; Y398-F402 HydrophobicContact CD2-CD2 3.97Å; Y398-F402 HydrophobicContact CD2-CE1 4.31Å; Y398-F402 AromaticContact CD2-CE2 3.98Å; Y398-F402 HydrophobicContact CD2-CE2 3.98Å; Y398-F402 HydrophobicContact CD2-CG 4.09Å; Y398-F402 HydrophobicContact CD2-CZ 4.15Å; Y398-F402 HydrophobicContact CE2-CE2 4.32Å; Y398-F402 HydrophobicContact CE2-CZ 4.29Å; Y398-F402 AromaticContact CG-CD2 3.75Å; Y398-F402 HydrophobicContact CG-CD2 3.75Å; Y398-F402 HydrophobicContact CG-CE2 4.04Å; Y398-F402 HydrophobicContact CG-CG 4.1Å; T399-F402 WeakPolarHBondContact O-CB 3.22Å; T399-F402 PolarHBondContact O-N 2.87Å; P400-F402 VanDerWaalsContact C-N 3.35Å; F402-L404 PolarHBondContact O-N 2.97Å; F402-R405 PolarHBondContact O-N 3.03Å; F402-L406 HydrophobicContact CE1-CD2 4.26Å; F402-L406 HydrophobicContact CZ-CD2 4.32Å; F402-L406 WeakPolarHBondContact O-CB 3.44Å; F402-L406 PolarHBondContact O-N 3.17Å; F402-E431 WeakPolarHBondContact CA-OE1 3.44Å; F402-E431 HydrophobicContact CD2-CG 3.7Å; F402-E431 HydrophobicContact CE2-CG 4.38Å; F402-R434 HydrophobicContact CE2-CG 4Å; F402-R434 HydrophobicContact CZ-CG 4.11Å; F402-L435 HydrophobicContact CD2-CD2 3.86Å; F402-L435 HydrophobicContact CD2-CG 4.22Å; F402-L435 HydrophobicContact CE2-CD2 3.61Å; F402-L435 HydrophobicContact CE2-CG 3.98Å; F402-L435 HydrophobicContact CZ-CD2 4.39Å; F402-L438 HydrophobicContact CZ-CD1 3.92Å
403	Y	98.7	Very high	97.5	Very high	8 Å²	8	25.6 Å²	25.6	3%	0.031	13%	0.134	C	C	.	.	H	α-helix	trans	-72.3	-27.6	-179	-72.2	-78.7	0	0	0	113.1	P321 R339 Y345 Y395 E401 L406 T407	P321-Y403 HydrophobicContact CB-CD1 3.59Å; P321-Y403 HydrophobicContact CB-CE1 3.6Å; P321-Y403 HydrophobicContact CB-CG 4.35Å; R339-Y403 WeakPolarHBondContact CB-OH 3.32Å; R339-Y403 VanDerWaalsContact CD-CZ 3.49Å; R339-Y403 VanDerWaalsContact CD-OH 3.28Å; R339-Y403 WeakPolarHBondContact CD-OH 3.19Å; R339-Y403 VanDerWaalsContact NH1-CD2 3.3Å; R339-Y403 VanDerWaalsContact NH1-CE2 3.32Å; Y345-Y403 HydrophobicContact CD1-CD1 4.2Å; Y395-Y403 AromaticContact CD1-CD2 3.89Å; Y395-Y403 HydrophobicContact CD1-CD2 3.89Å; Y395-Y403 AromaticContact CD1-CE2 3.48Å; Y395-Y403 HydrophobicContact CD1-CE2 3.48Å; Y395-Y403 VanDerWaalsContact CD1-CE2 3.48Å; Y395-Y403 AromaticContact CD2-CD2 3.85Å; Y395-Y403 HydrophobicContact CD2-CD2 3.85Å; Y395-Y403 HydrophobicContact CD2-CE2 4.2Å; Y395-Y403 AromaticContact CE1-CD2 3.67Å; Y395-Y403 HydrophobicContact CE1-CD2 3.67Å; Y395-Y403 AromaticContact CE1-CE2 3.53Å; Y395-Y403 HydrophobicContact CE1-CE2 3.53Å; Y395-Y403 AromaticContact CE2-CD2 3.63Å; Y395-Y403 HydrophobicContact CE2-CD2 3.63Å; Y395-Y403 HydrophobicContact CE2-CE2 4.25Å; Y395-Y403 AromaticContact CG-CD2 4Å; Y395-Y403 HydrophobicContact CG-CD2 4Å; Y395-Y403 AromaticContact CG-CE2 3.85Å; Y395-Y403 HydrophobicContact CG-CE2 3.85Å; Y395-Y403 AromaticContact CZ-CD2 3.55Å; Y395-Y403 AromaticContact CZ-CE2 3.95Å; E401-Y403 PolarHBondContact O-N 3.34Å; Y403-L406 HydrophobicContact CD1-CD2 4.47Å; Y403-T407 VanDerWaalsContact O-CB 3.31Å; Y403-T407 WeakPolarHBondContact O-CB 3.38Å; Y403-T407 PolarHBondContact O-N 3.35Å; Y403-T407 PolarHBondContact O-OG1 3.45Å
404	L	98.6	Very high	97.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-67.5	-42.5	171.9	-62.9	174.9	0	0	0	110.8	I38 M133 F136 A137 F365 I374 E401 F402 T407 R408	I38-L404 HydrophobicContact CD1-CD1 3.75Å; M133-L404 HydrophobicContact CB-CD1 3.87Å; M133-L404 HydrophobicContact CB-CD2 4.1Å; M133-L404 HydrophobicContact CG-CD1 3.75Å; M133-L404 HydrophobicContact SD-CD1 4.28Å; F136-L404 HydrophobicContact CD1-CB 3.9Å; F136-L404 HydrophobicContact CE1-CB 4.08Å; A137-L404 HydrophobicContact CB-CD2 4.26Å; F365-L404 HydrophobicContact CE2-CD2 4.46Å; I374-L404 HydrophobicContact CD1-CD2 4.1Å; I374-L404 HydrophobicContact CG1-CD2 4.24Å; E401-L404 HydrophobicContact CG-CD1 4.33Å; E401-L404 WeakPolarHBondContact O-CB 3.37Å; E401-L404 PolarHBondContact O-N 3.45Å; F402-L404 PolarHBondContact O-N 2.97Å; L404-T407 PolarHBondContact O-N 3.37Å; L404-R408 PolarHBondContact O-N 2.91Å
405	R	98.2	Very high	97.6	Very high	11 Å²	11	22.4 Å²	22.4	4%	0.042	12%	0.116	C	C	.	.	H	α-helix	trans	-65.6	-44.6	174.5	-70	-168.3	-167.9	79.3	7.2	111.9	F136 T399 E401 F402 T407 R408 L409 F424 E426 E431 L435	F136-R405 HydrophobicContact CE1-CB 4.47Å; F136-R405 HydrophobicContact CE1-CG 3.71Å; F136-R405 HydrophobicContact CZ-CG 3.76Å; T399-R405 PolarHBondContact OG1-NH1 3.2Å; E401-R405 PolarHBondContact O-N 3.27Å; F402-R405 PolarHBondContact O-N 3.03Å; R405-T407 VanDerWaalsContact C-N 3.32Å; R405-T407 PolarHBondContact O-N 3.33Å; R405-R408 WeakPolarHBondContact O-CB 3.18Å; R405-R408 PolarHBondContact O-N 2.66Å; R405-L409 PolarHBondContact O-N 2.85Å; R405-F424 HydrophobicContact CB-CD2 4.3Å; R405-F424 HydrophobicContact CB-CE2 3.69Å; R405-F424 HydrophobicContact CB-CZ 4.15Å; R405-F424 VanDerWaalsContact CD-O 3.26Å; R405-F424 WeakPolarHBondContact CD-O 3.16Å; R405-F424 HydrophobicContact CG-CD2 4.1Å; R405-F424 HydrophobicContact CG-CE2 3.98Å; R405-F424 PolarHBondContact NE-O 2.92Å; R405-F424 WeakPolarHBondContact O-CE2 3.47Å; R405-E426 PolarHBondContact NH2-O 3.27Å; R405-E431 WeakPolarHBondContact CD-OE1 3.39Å; R405-E431 IonicContact CZ-OE1 3.5Å; R405-E431 IonicContact NE-OE1 3.43Å; R405-E431 IonicContact NH1-OE1 2.85Å; R405-E431 PolarHBondContact NH1-OE1 3.48Å; R405-E431 IonicContact NH1-OE2 2.94Å; R405-L435 HydrophobicContact CB-CD1 3.69Å; R405-L435 HydrophobicContact CB-CD2 4.21Å; R405-L435 HydrophobicContact CG-CD1 4.45Å
406	L	98.7	Very high	97.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61	-44	177.3	-174.3	54.7	0	0	0	111.3	Y345 V346 F402 Y403 R408 L409 L410 L435 L438 I439	Y345-L406 HydrophobicContact CD1-CD2 3.95Å; Y345-L406 HydrophobicContact CD1-CG 4.21Å; V346-L406 HydrophobicContact CG2-CD1 3.63Å; V346-L406 HydrophobicContact CG2-CD2 4.06Å; V346-L406 HydrophobicContact CG2-CG 4.17Å; F402-L406 HydrophobicContact CE1-CD2 4.26Å; F402-L406 HydrophobicContact CZ-CD2 4.32Å; F402-L406 WeakPolarHBondContact O-CB 3.44Å; F402-L406 PolarHBondContact O-N 3.17Å; Y403-L406 HydrophobicContact CD1-CD2 4.47Å; L406-R408 VanDerWaalsContact C-N 3.34Å; L406-R408 PolarHBondContact O-N 3.14Å; L406-L409 PolarHBondContact O-N 3.21Å; L406-L410 HydrophobicContact CG-CD1 4.18Å; L406-L410 WeakPolarHBondContact O-CG 3.32Å; L406-L410 PolarHBondContact O-N 2.71Å; L406-L435 HydrophobicContact CB-CD2 3.72Å; L406-L435 HydrophobicContact CD1-CD2 4.03Å; L406-L435 HydrophobicContact CG-CD2 4.44Å; L406-L438 HydrophobicContact CD1-CB 4.42Å; L406-L438 HydrophobicContact CD1-CD1 4Å; L406-L438 HydrophobicContact CD2-CD1 3.99Å; L406-I439 HydrophobicContact CD1-CD1 4.36Å
407	T	98.7	Very high	97.5	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58.4	-46.2	174.6	-55.6	0	0	0	0	111	A137 I139 Y345 I362 I374 Y403 L404 R405 L409 L410 V411	A137-T407 HydrophobicContact CB-CG2 3.89Å; I139-T407 HydrophobicContact CD1-CG2 4.23Å; I139-T407 HydrophobicContact CG1-CG2 4.23Å; Y345-T407 WeakPolarHBondContact CE1-OG1 3.5Å; Y345-T407 PolarHBondContact OH-OG1 2.86Å; I362-T407 HydrophobicContact CD1-CG2 3.6Å; I374-T407 HydrophobicContact CD1-CG2 4.16Å; Y403-T407 VanDerWaalsContact O-CB 3.31Å; Y403-T407 WeakPolarHBondContact O-CB 3.38Å; Y403-T407 PolarHBondContact O-N 3.35Å; Y403-T407 PolarHBondContact O-OG1 3.45Å; L404-T407 PolarHBondContact O-N 3.37Å; R405-T407 VanDerWaalsContact C-N 3.32Å; R405-T407 PolarHBondContact O-N 3.33Å; T407-L409 VanDerWaalsContact C-N 3.31Å; T407-L409 PolarHBondContact O-N 3.27Å; T407-L410 PolarHBondContact O-N 3.27Å; T407-L410 VanDerWaalsContact O-N 3.12Å; T407-V411 HydrophobicContact CG2-CG2 4.07Å; T407-V411 VanDerWaalsContact O-CG2 3.29Å; T407-V411 WeakPolarHBondContact O-CG2 3.3Å; T407-V411 PolarHBondContact O-N 2.85Å
408	R	98.2	Very high	97.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-55.5	-45.5	176	170.4	54.3	69.1	177.5	7.8	112.1	N48 R135 F136 A137 L404 R405 L406 V411 N412 L420 P421 F424	N48-R408 PolarHBondContact O-NH1 2.88Å; R135-R408 PolarHBondContact O-NH2 3.43Å; F136-R408 PolarHBondContact O-NE 2.9Å; F136-R408 PolarHBondContact O-NH2 2.77Å; F136-R408 VanDerWaalsContact O-NH2 3.17Å; A137-R408 VanDerWaalsContact O-CA 3.26Å; A137-R408 WeakPolarHBondContact O-CA 3.09Å; A137-R408 PolarHBondContact O-N 3.48Å; L404-R408 PolarHBondContact O-N 2.91Å; R405-R408 WeakPolarHBondContact O-CB 3.18Å; R405-R408 PolarHBondContact O-N 2.66Å; L406-R408 VanDerWaalsContact C-N 3.34Å; L406-R408 PolarHBondContact O-N 3.14Å; R408-V411 PolarHBondContact O-N 3.29Å; R408-N412 WeakPolarHBondContact CD-OD1 3.27Å; R408-N412 PolarHBondContact NH1-OD1 2.96Å; R408-N412 VanDerWaalsContact O-CB 3.3Å; R408-N412 WeakPolarHBondContact O-CB 3.28Å; R408-N412 VanDerWaalsContact O-CG 3.27Å; R408-N412 PolarHBondContact O-N 3.42Å; R408-N412 PolarHBondContact O-OD1 2.92Å; R408-L420 HydrophobicContact CG-CD2 3.78Å; R408-P421 HydrophobicContact CG-CG 4.35Å; R408-F424 HydrophobicContact CB-CD2 4.47Å; R408-F424 HydrophobicContact CB-CE2 4.22Å; R408-F424 HydrophobicContact CG-CD2 4.07Å; R408-F424 HydrophobicContact CG-CE2 4.08Å
409	L	98.2	Very high	97.1	Very high	14 Å²	14	28.4 Å²	28.4	7%	0.073	16%	0.16	C	C	.	.	H	α-helix	trans	-64.4	-40.3	177.8	-68.5	179	0	0	0	112.6	R405 L406 T407 N412 K413 L420 F424 L435 Y436 I439	R405-L409 PolarHBondContact O-N 2.85Å; L406-L409 PolarHBondContact O-N 3.21Å; T407-L409 VanDerWaalsContact C-N 3.31Å; T407-L409 PolarHBondContact O-N 3.27Å; L409-N412 PolarHBondContact O-N 2.81Å; L409-K413 WeakPolarHBondContact O-CB 3.39Å; L409-K413 PolarHBondContact O-N 2.91Å; L409-L420 HydrophobicContact CD2-CD2 4Å; L409-F424 HydrophobicContact CD1-CZ 3.84Å; L409-F424 HydrophobicContact CD2-CE1 4.32Å; L409-F424 HydrophobicContact CD2-CE2 4.19Å; L409-F424 HydrophobicContact CD2-CZ 3.64Å; L409-F424 HydrophobicContact CG-CE2 4.02Å; L409-F424 HydrophobicContact CG-CZ 3.59Å; L409-L435 HydrophobicContact CD1-CB 3.79Å; L409-L435 HydrophobicContact CD1-CD2 4.44Å; L409-Y436 HydrophobicContact CD2-CE1 4.27Å; L409-I439 HydrophobicContact CB-CD1 3.75Å; L409-I439 HydrophobicContact CB-CG1 3.79Å; L409-I439 HydrophobicContact CD1-CG1 3.82Å; L409-I439 HydrophobicContact CG-CG1 4.41Å
410	L	98.5	Very high	97	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65.8	-44.6	177.4	-69.5	170.2	0	0	0	112.1	Y345 V346 F349 L406 T407 N412 K413 F414 I439	Y345-L410 HydrophobicContact CD1-CD1 3.89Å; Y345-L410 HydrophobicContact CE1-CD1 3.82Å; Y345-L410 HydrophobicContact CG-CD1 4.28Å; V346-L410 HydrophobicContact CB-CD2 4.43Å; V346-L410 HydrophobicContact CG1-CD2 4.31Å; V346-L410 HydrophobicContact CG2-CD1 4.39Å; V346-L410 HydrophobicContact CG2-CD2 4.08Å; F349-L410 HydrophobicContact CB-CD1 3.89Å; F349-L410 HydrophobicContact CB-CD2 4.06Å; F349-L410 HydrophobicContact CB-CG 4.44Å; F349-L410 HydrophobicContact CD1-CB 3.9Å; F349-L410 HydrophobicContact CD1-CD2 4.24Å; F349-L410 HydrophobicContact CD1-CG 4.47Å; F349-L410 HydrophobicContact CD2-CB 4.18Å; F349-L410 HydrophobicContact CD2-CD1 3.94Å; F349-L410 HydrophobicContact CE1-CB 3.99Å; F349-L410 HydrophobicContact CE2-CB 4.26Å; F349-L410 HydrophobicContact CG-CB 4.01Å; F349-L410 HydrophobicContact CG-CD1 3.89Å; F349-L410 HydrophobicContact CG-CD2 4.2Å; F349-L410 HydrophobicContact CG-CG 4.26Å; F349-L410 HydrophobicContact CZ-CB 4.17Å; L406-L410 HydrophobicContact CG-CD1 4.18Å; L406-L410 WeakPolarHBondContact O-CG 3.32Å; L406-L410 PolarHBondContact O-N 2.71Å; T407-L410 PolarHBondContact O-N 3.27Å; T407-L410 VanDerWaalsContact O-N 3.12Å; L410-N412 VanDerWaalsContact C-N 3.34Å; L410-N412 PolarHBondContact O-N 2.79Å; L410-K413 PolarHBondContact O-N 2.8Å; L410-F414 WeakPolarHBondContact O-CB 3.42Å; L410-F414 PolarHBondContact O-N 3.07Å; L410-I439 HydrophobicContact CD2-CD1 3.78Å; L410-I439 HydrophobicContact CG-CD1 4.19Å
411	V	98.4	Very high	96.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.5	-45.4	174	173.6	0	0	0	0	110.4	V53 A137 T407 R408 K413 F414 E415 F417	V53-V411 HydrophobicContact CB-CG2 4.41Å; V53-V411 HydrophobicContact CG1-CG2 4.1Å; V53-V411 HydrophobicContact CG2-CG2 4.16Å; A137-V411 WeakPolarHBondContact O-CG2 3.24Å; T407-V411 HydrophobicContact CG2-CG2 4.07Å; T407-V411 VanDerWaalsContact O-CG2 3.29Å; T407-V411 WeakPolarHBondContact O-CG2 3.3Å; T407-V411 PolarHBondContact O-N 2.85Å; R408-V411 PolarHBondContact O-N 3.29Å; V411-K413 VanDerWaalsContact C-N 3.33Å; V411-K413 PolarHBondContact O-N 2.8Å; V411-F414 PolarHBondContact O-N 3.04Å; V411-F414 VanDerWaalsContact O-N 3.16Å; V411-E415 PolarHBondContact O-N 3.18Å; V411-F417 HydrophobicContact CG1-CD2 4.45Å; V411-F417 HydrophobicContact CG1-CE2 4.35Å
412	N	97.3	Very high	96.3	Very high	12 Å²	12	36.1 Å²	36.1	6%	0.064	19%	0.186	C	C	.	.	H	α-helix	trans	-61.8	-40.8	177.6	-79.5	18	0	0	0	111.8	R408 L409 L410 S416 F417 T419 L420	R408-N412 WeakPolarHBondContact CD-OD1 3.27Å; R408-N412 PolarHBondContact NH1-OD1 2.96Å; R408-N412 VanDerWaalsContact O-CB 3.3Å; R408-N412 WeakPolarHBondContact O-CB 3.28Å; R408-N412 VanDerWaalsContact O-CG 3.27Å; R408-N412 PolarHBondContact O-N 3.42Å; R408-N412 PolarHBondContact O-OD1 2.92Å; L409-N412 PolarHBondContact O-N 2.81Å; L410-N412 VanDerWaalsContact C-N 3.34Å; L410-N412 PolarHBondContact O-N 2.79Å; N412-S416 CarbonylContact O-C 3.51Å; N412-S416 WeakPolarHBondContact O-CA 3.45Å; N412-S416 PolarHBondContact O-N 2.97Å; N412-F417 HydrophobicContact CB-CB 4.2Å; N412-F417 PolarHBondContact O-N 2.89Å; N412-T419 PolarHBondContact ND2-O 2.84Å; N412-L420 WeakPolarHBondContact ND2-CD2 3.28Å
413	K	96.6	Very high	95.9	Very high	73 Å²	73	37.8 Å²	37.8	32%	0.317	19%	0.193	S	C	.	.	H	α-helix	trans	-62	-42.5	173.1	-179.3	174.1	172.1	177.2	0	111.5	I353 L409 L410 V411 S442	I353-K413 HydrophobicContact CD1-CG 4.45Å; L409-K413 WeakPolarHBondContact O-CB 3.39Å; L409-K413 PolarHBondContact O-N 2.91Å; L410-K413 PolarHBondContact O-N 2.8Å; V411-K413 VanDerWaalsContact C-N 3.33Å; V411-K413 PolarHBondContact O-N 2.8Å; K413-S442 PolarHBondContact NZ-O 2.72Å; K413-S442 PolarHBondContact NZ-OG 3.17Å; K413-S442 PolarHBondContact NZ-OXT 2.95Å
414	F	97.8	Very high	95.7	Very high	22 Å²	22	37.4 Å²	37.4	10%	0.096	19%	0.192	C	C	.	.	H	α-helix	trans	-67.4	-41.8	-179.1	-179.3	-140.8	0	0	0	113.5	R52 V53 F349 I353 I360 L410 V411	R52-F414 HydrophobicContact CB-CE1 3.79Å; R52-F414 HydrophobicContact CB-CZ 4.28Å; V53-F414 HydrophobicContact CG2-CD1 3.65Å; V53-F414 HydrophobicContact CG2-CE1 3.96Å; F349-F414 HydrophobicContact CE1-CB 4.18Å; I353-F414 HydrophobicContact CB-CD2 4.47Å; I353-F414 HydrophobicContact CD1-CB 3.88Å; I353-F414 HydrophobicContact CD1-CD2 4.39Å; I353-F414 HydrophobicContact CD1-CG 4.46Å; I353-F414 HydrophobicContact CG1-CB 4.11Å; I353-F414 HydrophobicContact CG1-CD2 3.78Å; I353-F414 HydrophobicContact CG1-CG 4.15Å; I353-F414 HydrophobicContact CG2-CD2 4.24Å; I360-F414 HydrophobicContact CD1-CD1 4.18Å; I360-F414 HydrophobicContact CD1-CD2 4.29Å; I360-F414 HydrophobicContact CD1-CE1 4.14Å; I360-F414 HydrophobicContact CD1-CE2 4.26Å; I360-F414 HydrophobicContact CD1-CG 4.25Å; I360-F414 HydrophobicContact CD1-CZ 4.19Å; I360-F414 HydrophobicContact CG1-CE1 4.23Å; I360-F414 HydrophobicContact CG1-CZ 4.26Å; L410-F414 WeakPolarHBondContact O-CB 3.42Å; L410-F414 PolarHBondContact O-N 3.07Å; V411-F414 PolarHBondContact O-N 3.04Å; V411-F414 VanDerWaalsContact O-N 3.16Å
415	E	96.8	Very high	95.5	Very high	41 Å²	41	42.5 Å²	42.5	19%	0.192	22%	0.219	C	C	.	.	H	α-helix	trans	-94.4	-2.7	-179	-65.8	-62.9	168.7	0	0	114.2	S50 R52 V411 F417	S50-E415 WeakPolarHBondContact CB-OE1 3.45Å; S50-E415 PolarHBondContact OG-OE1 2.78Å; R52-E415 IonicContact CZ-OE1 3.48Å; R52-E415 IonicContact CZ-OE2 3.31Å; R52-E415 IonicContact NE-OE1 3.57Å; R52-E415 PolarHBondContact NE-OE1 2.96Å; R52-E415 IonicContact NE-OE2 3.95Å; R52-E415 PolarHBondContact NE-OE2 2.88Å; R52-E415 IonicContact NH2-OE1 2.73Å; R52-E415 PolarHBondContact NH2-OE1 3.47Å; R52-E415 IonicContact NH2-OE2 3.8Å; R52-E415 PolarHBondContact NH2-OE2 2.98Å; V411-E415 PolarHBondContact O-N 3.18Å; E415-F417 HydrophobicContact CB-CD1 3.7Å; E415-F417 HydrophobicContact CB-CD2 3.79Å; E415-F417 HydrophobicContact CB-CE1 3.5Å; E415-F417 VanDerWaalsContact CB-CE1 3.5Å; E415-F417 HydrophobicContact CB-CE2 3.59Å; E415-F417 HydrophobicContact CB-CG 3.84Å; E415-F417 HydrophobicContact CB-CZ 3.44Å; E415-F417 VanDerWaalsContact CB-CZ 3.44Å; E415-F417 HydrophobicContact CG-CD2 4.34Å; E415-F417 HydrophobicContact CG-CE1 4.18Å; E415-F417 HydrophobicContact CG-CE2 3.72Å; E415-F417 HydrophobicContact CG-CZ 3.62Å; E415-F417 PolarHBondContact O-N 3.13Å
416	S	95.7	Very high	95.3	Very high	101 Å²	101	47 Å²	47	71%	0.706	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	32.7	-169.7	-53	0	0	0	0	113.5	N412	N412-S416 CarbonylContact O-C 3.51Å; N412-S416 WeakPolarHBondContact O-CA 3.45Å; N412-S416 PolarHBondContact O-N 2.97Å
417	F	95.2	Very high	95.1	Very high	45 Å²	45	48.4 Å²	48.4	20%	0.197	25%	0.249	C	C	.	.			trans	-71.8	139	171.5	-60.1	-28	0	0	0	110.6	N48 V411 N412 E415	N48-F417 HydrophobicContact CB-CD1 3.82Å; N48-F417 HydrophobicContact CB-CD2 3.65Å; N48-F417 HydrophobicContact CB-CE1 3.66Å; N48-F417 HydrophobicContact CB-CE2 3.5Å; N48-F417 VanDerWaalsContact CB-CE2 3.5Å; N48-F417 HydrophobicContact CB-CG 3.82Å; N48-F417 HydrophobicContact CB-CZ 3.51Å; V411-F417 HydrophobicContact CG1-CD2 4.45Å; V411-F417 HydrophobicContact CG1-CE2 4.35Å; N412-F417 HydrophobicContact CB-CB 4.2Å; N412-F417 PolarHBondContact O-N 2.89Å; E415-F417 HydrophobicContact CB-CD1 3.7Å; E415-F417 HydrophobicContact CB-CD2 3.79Å; E415-F417 HydrophobicContact CB-CE1 3.5Å; E415-F417 VanDerWaalsContact CB-CE1 3.5Å; E415-F417 HydrophobicContact CB-CE2 3.59Å; E415-F417 HydrophobicContact CB-CG 3.84Å; E415-F417 HydrophobicContact CB-CZ 3.44Å; E415-F417 VanDerWaalsContact CB-CZ 3.44Å; E415-F417 HydrophobicContact CG-CD2 4.34Å; E415-F417 HydrophobicContact CG-CE1 4.18Å; E415-F417 HydrophobicContact CG-CE2 3.72Å; E415-F417 HydrophobicContact CG-CZ 3.62Å; E415-F417 PolarHBondContact O-N 3.13Å
418	T	92.1	Very high	94.7	Very high	136 Å²	136	51.2 Å²	51.2	83%	0.834	26%	0.264	S	S	*	.			trans	-104.7	-13.9	-178.9	54.8	0	0	0	0	113.5
419	T	91.7	Very high	94.6	Very high	62 Å²	62	57.9 Å²	57.9	38%	0.38	30%	0.3	S	S	.	.			trans	-91.2	140.7	-176.9	54.8	0	0	0	0	111.7	N412	N412-T419 PolarHBondContact ND2-O 2.84Å
420	L	93.8	Very high	94.5	Very high	56 Å²	56	61.1 Å²	61.1	29%	0.293	32%	0.316	S	S	.	.			trans	-113.4	149.9	171.6	-68.6	168.5	0	0	0	110.2	R408 L409 N412 F424	R408-L420 HydrophobicContact CG-CD2 3.78Å; L409-L420 HydrophobicContact CD2-CD2 4Å; N412-L420 WeakPolarHBondContact ND2-CD2 3.28Å; L420-F424 HydrophobicContact CB-CB 4.06Å; L420-F424 HydrophobicContact CB-CG 4.15Å; L420-F424 HydrophobicContact CD1-CD1 3.77Å; L420-F424 HydrophobicContact CD1-CE1 4Å; L420-F424 HydrophobicContact CD1-CG 4.19Å; L420-F424 HydrophobicContact CD2-CD1 4.35Å; L420-F424 HydrophobicContact CD2-CD2 3.92Å; L420-F424 HydrophobicContact CD2-CE1 4.45Å; L420-F424 HydrophobicContact CD2-CE2 4.01Å; L420-F424 HydrophobicContact CD2-CG 4.1Å; L420-F424 HydrophobicContact CD2-CZ 4.3Å; L420-F424 HydrophobicContact CG-CD1 4.43Å; L420-F424 HydrophobicContact CG-CG 4.38Å
421	P	92.4	Very high	94.5	Very high	4 Å²	4	61.1 Å²	61.1	3%	0.026	32%	0.316	C	S	.	.			trans	-55.5	148.5	169.8	-18	27	0	0	0	111.3	L47 F136 R408 K423 F424	L47-P421 HydrophobicContact CD1-CB 3.73Å; L47-P421 HydrophobicContact CD1-CG 3.87Å; F136-P421 HydrophobicContact CD2-CB 3.66Å; F136-P421 HydrophobicContact CD2-CG 3.79Å; F136-P421 HydrophobicContact CE2-CB 3.75Å; F136-P421 HydrophobicContact CE2-CG 3.96Å; F136-P421 HydrophobicContact CG-CG 4.27Å; R408-P421 HydrophobicContact CG-CG 4.35Å; P421-K423 VanDerWaalsContact C-N 3.26Å; P421-K423 PolarHBondContact O-N 2.77Å; P421-F424 WeakPolarHBondContact O-CB 3.38Å; P421-F424 PolarHBondContact O-N 3.38Å
422	R	88.1	Confident	94.5	Very high	173 Å²	173	62.6 Å²	62.6	65%	0.653	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-56.5	-42.6	-178.4	179.4	178.9	172.7	177.4	-1.9	112.3	D44 F424	D44-R422 PolarHBondContact OD1-N 3.17Å; R422-F424 PolarHBondContact O-N 3.4Å
423	K	90.3	Very high	94.5	Very high	35 Å²	35	68.3 Å²	68.3	15%	0.152	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-75.4	1.5	179.8	-61	-159.9	167.2	-166.5	0	114.5	D36 G37 F136 P421 N425 E426	D36-K423 PolarHBondContact O-NZ 3.39Å; G37-K423 WeakPolarHBondContact O-CD 3.46Å; F136-K423 HydrophobicContact CE2-CB 4.24Å; P421-K423 VanDerWaalsContact C-N 3.26Å; P421-K423 PolarHBondContact O-N 2.77Å; K423-N425 VanDerWaalsContact C-N 3.3Å; K423-N425 PolarHBondContact O-N 2.62Å; K423-E426 HydrophobicContact CB-CG 4.42Å; K423-E426 WeakPolarHBondContact CG-OE2 3.43Å; K423-E426 WeakPolarHBondContact O-CB 3.46Å; K423-E426 PolarHBondContact O-N 2.69Å; K423-E426 VanDerWaalsContact O-N 3.09Å
424	F	94.5	Very high	94.5	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-58.7	-43.6	-177.5	-174.6	-88.8	0	0	0	112	F136 R405 R408 L409 L420 P421 R422 E426 I432 L435	F136-F424 HydrophobicContact CZ-CB 4.49Å; F136-F424 HydrophobicContact CZ-CD2 4.18Å; R405-F424 HydrophobicContact CB-CD2 4.3Å; R405-F424 HydrophobicContact CB-CE2 3.69Å; R405-F424 HydrophobicContact CB-CZ 4.15Å; R405-F424 VanDerWaalsContact CD-O 3.26Å; R405-F424 WeakPolarHBondContact CD-O 3.16Å; R405-F424 HydrophobicContact CG-CD2 4.1Å; R405-F424 HydrophobicContact CG-CE2 3.98Å; R405-F424 PolarHBondContact NE-O 2.92Å; R405-F424 WeakPolarHBondContact O-CE2 3.47Å; R408-F424 HydrophobicContact CB-CD2 4.47Å; R408-F424 HydrophobicContact CB-CE2 4.22Å; R408-F424 HydrophobicContact CG-CD2 4.07Å; R408-F424 HydrophobicContact CG-CE2 4.08Å; L409-F424 HydrophobicContact CD1-CZ 3.84Å; L409-F424 HydrophobicContact CD2-CE1 4.32Å; L409-F424 HydrophobicContact CD2-CE2 4.19Å; L409-F424 HydrophobicContact CD2-CZ 3.64Å; L409-F424 HydrophobicContact CG-CE2 4.02Å; L409-F424 HydrophobicContact CG-CZ 3.59Å; L420-F424 HydrophobicContact CB-CB 4.06Å; L420-F424 HydrophobicContact CB-CG 4.15Å; L420-F424 HydrophobicContact CD1-CD1 3.77Å; L420-F424 HydrophobicContact CD1-CE1 4Å; L420-F424 HydrophobicContact CD1-CG 4.19Å; L420-F424 HydrophobicContact CD2-CD1 4.35Å; L420-F424 HydrophobicContact CD2-CD2 3.92Å; L420-F424 HydrophobicContact CD2-CE1 4.45Å; L420-F424 HydrophobicContact CD2-CE2 4.01Å; L420-F424 HydrophobicContact CD2-CG 4.1Å; L420-F424 HydrophobicContact CD2-CZ 4.3Å; L420-F424 HydrophobicContact CG-CD1 4.43Å; L420-F424 HydrophobicContact CG-CG 4.38Å; P421-F424 WeakPolarHBondContact O-CB 3.38Å; P421-F424 PolarHBondContact O-N 3.38Å; R422-F424 PolarHBondContact O-N 3.4Å; F424-E426 VanDerWaalsContact C-N 3.29Å; F424-E426 PolarHBondContact O-N 2.86Å; F424-I432 HydrophobicContact CE1-CD1 4.44Å; F424-L435 HydrophobicContact CZ-CD1 4.28Å
425	N	94	Very high	94.6	Very high	107 Å²	107	66.4 Å²	66.4	57%	0.572	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-84.5	2.4	179.4	-65.1	-32.3	0	0	0	113.7	K423 T427	K423-N425 VanDerWaalsContact C-N 3.3Å; K423-N425 PolarHBondContact O-N 2.62Å; N425-T427 PolarHBondContact O-N 3.48Å
426	E	93.6	Very high	94.6	Very high	105 Å²	105	68.2 Å²	68.2	49%	0.491	35%	0.346	S	S	.	.			trans	-79.6	67.3	174.3	-65.2	178	-164.5	0	0	109.5	R405 K423 F424	R405-E426 PolarHBondContact NH2-O 3.27Å; K423-E426 HydrophobicContact CB-CG 4.42Å; K423-E426 WeakPolarHBondContact CG-OE2 3.43Å; K423-E426 WeakPolarHBondContact O-CB 3.46Å; K423-E426 PolarHBondContact O-N 2.69Å; K423-E426 VanDerWaalsContact O-N 3.09Å; F424-E426 VanDerWaalsContact C-N 3.29Å; F424-E426 PolarHBondContact O-N 2.86Å
427	T	94.9	Very high	94.7	Very high	30 Å²	30	65 Å²	65	18%	0.184	32%	0.322	C	S	.	.	S	Bend	trans	-154.8	-179	174.5	-171.5	0	0	0	0	109.7	T399 N425 E431 I432	T399-T427 WeakPolarHBondContact CG2-OG1 3.49Å; N425-T427 PolarHBondContact O-N 3.48Å; T427-E431 HydrophobicContact CG2-CB 4.14Å; T427-E431 HydrophobicContact CG2-CG 4.33Å; T427-E431 VanDerWaalsContact OG1-CD 3.25Å; T427-E431 PolarHBondContact OG1-OE2 2.75Å; T427-I432 HydrophobicContact CG2-CD1 3.47Å; T427-I432 VanDerWaalsContact CG2-CD1 3.47Å; T427-I432 HydrophobicContact CG2-CG1 3.72Å
428	N	91.3	Very high	94.9	Very high	59 Å²	59	62.9 Å²	62.9	32%	0.316	31%	0.313	S	S	.	.			trans	-81.3	156.6	178.1	66.5	58.5	0	0	0	112.7	I430 E431 I432	N428-I430 VanDerWaalsContact C-N 3.27Å; N428-I430 PolarHBondContact O-N 3.06Å; N428-I430 WeakPolarHBondContact OD1-CB 3.4Å; N428-I430 PolarHBondContact OD1-N 2.94Å; N428-E431 WeakPolarHBondContact O-CB 3.38Å; N428-E431 PolarHBondContact O-N 3.16Å; N428-E431 WeakPolarHBondContact OD1-CB 3.38Å; N428-E431 PolarHBondContact OD1-N 2.97Å; N428-I432 PolarHBondContact O-N 3.42Å
429	D	95.2	Very high	95.1	Very high	140 Å²	140	58 Å²	58	75%	0.749	28%	0.281	S	S	*	.	H	α-helix	trans	-61.7	-32.9	-177.2	-67.7	-28	0	0	0	113.2	E431 I432 E433	D429-E431 VanDerWaalsContact C-N 3.31Å; D429-E431 PolarHBondContact O-N 3.32Å; D429-I432 PolarHBondContact O-N 2.98Å; D429-E433 WeakPolarHBondContact O-CB 3.45Å; D429-E433 PolarHBondContact O-N 3Å
430	I	96.9	Very high	95.2	Very high	82 Å²	82	63.3 Å²	63.3	42%	0.421	30%	0.295	S	S	.	.	H	α-helix	trans	-61.7	-42.3	178.5	-61.6	171.1	0	0	0	110.2	P397 Y398 N428 R434	P397-I430 HydrophobicContact CG-CG2 4.34Å; Y398-I430 HydrophobicContact CE1-CG2 4.11Å; N428-I430 VanDerWaalsContact C-N 3.27Å; N428-I430 PolarHBondContact O-N 3.06Å; N428-I430 WeakPolarHBondContact OD1-CB 3.4Å; N428-I430 PolarHBondContact OD1-N 2.94Å; I430-R434 WeakPolarHBondContact O-CB 3.49Å; I430-R434 PolarHBondContact O-N 3.03Å
431	E	97.9	Very high	94.8	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-66.4	-47.3	176	-170	179.3	140.2	0	0	111.7	Y398 T399 F402 R405 T427 N428 D429 E433 R434 L435	Y398-E431 HydrophobicContact CD1-CB 3.82Å; Y398-E431 HydrophobicContact CD1-CG 3.91Å; Y398-E431 HydrophobicContact CG-CG 4.23Å; T399-E431 VanDerWaalsContact CB-OE2 3.26Å; T399-E431 WeakPolarHBondContact CB-OE2 3.48Å; T399-E431 WeakPolarHBondContact CG2-OE2 3.36Å; T399-E431 PolarHBondContact N-OE2 2.88Å; T399-E431 PolarHBondContact OG1-OE1 3.31Å; T399-E431 PolarHBondContact OG1-OE2 2.82Å; F402-E431 WeakPolarHBondContact CA-OE1 3.44Å; F402-E431 HydrophobicContact CD2-CG 3.7Å; F402-E431 HydrophobicContact CE2-CG 4.38Å; R405-E431 WeakPolarHBondContact CD-OE1 3.39Å; R405-E431 IonicContact CZ-OE1 3.5Å; R405-E431 IonicContact NE-OE1 3.43Å; R405-E431 IonicContact NH1-OE1 2.85Å; R405-E431 PolarHBondContact NH1-OE1 3.48Å; R405-E431 IonicContact NH1-OE2 2.94Å; T427-E431 HydrophobicContact CG2-CB 4.14Å; T427-E431 HydrophobicContact CG2-CG 4.33Å; T427-E431 VanDerWaalsContact OG1-CD 3.25Å; T427-E431 PolarHBondContact OG1-OE2 2.75Å; N428-E431 WeakPolarHBondContact O-CB 3.38Å; N428-E431 PolarHBondContact O-N 3.16Å; N428-E431 WeakPolarHBondContact OD1-CB 3.38Å; N428-E431 PolarHBondContact OD1-N 2.97Å; D429-E431 VanDerWaalsContact C-N 3.31Å; D429-E431 PolarHBondContact O-N 3.32Å; E431-E433 VanDerWaalsContact C-N 3.31Å; E431-E433 PolarHBondContact O-N 3.43Å; E431-R434 PolarHBondContact O-N 2.86Å; E431-L435 HydrophobicContact CG-CD1 3.99Å; E431-L435 HydrophobicContact CG-CG 4.27Å; E431-L435 WeakPolarHBondContact O-CB 3.41Å; E431-L435 VanDerWaalsContact O-CG 3.26Å; E431-L435 WeakPolarHBondContact O-CG 3.38Å; E431-L435 PolarHBondContact O-N 3.33Å
432	I	97.8	Very high	94.2	Very high	32 Å²	32	68.9 Å²	68.9	16%	0.164	32%	0.324	C	S	.	.	H	α-helix	trans	-57.6	-46.6	177.8	-66.1	-58	0	0	0	110.7	F424 T427 N428 D429 R434 L435 Y436	F424-I432 HydrophobicContact CE1-CD1 4.44Å; T427-I432 HydrophobicContact CG2-CD1 3.47Å; T427-I432 VanDerWaalsContact CG2-CD1 3.47Å; T427-I432 HydrophobicContact CG2-CG1 3.72Å; N428-I432 PolarHBondContact O-N 3.42Å; D429-I432 PolarHBondContact O-N 2.98Å; I432-R434 VanDerWaalsContact C-N 3.35Å; I432-R434 PolarHBondContact O-N 2.84Å; I432-L435 PolarHBondContact O-N 2.84Å; I432-Y436 HydrophobicContact CG2-CD2 3.75Å; I432-Y436 HydrophobicContact CG2-CE2 3.79Å; I432-Y436 VanDerWaalsContact O-CD2 3.27Å; I432-Y436 WeakPolarHBondContact O-CD2 3.1Å; I432-Y436 PolarHBondContact O-N 3.44Å; I432-Y436 VanDerWaalsContact O-N 3.1Å
433	E	97.5	Very high	94.5	Very high	132 Å²	132	63.7 Å²	63.7	62%	0.617	31%	0.308	S	S	*	.	H	α-helix	trans	-60	-44.6	177.7	-172.7	-175.6	169.3	0	0	111.6	D429 E431 T437	D429-E433 WeakPolarHBondContact O-CB 3.45Å; D429-E433 PolarHBondContact O-N 3Å; E431-E433 VanDerWaalsContact C-N 3.31Å; E431-E433 PolarHBondContact O-N 3.43Å; E433-T437 VanDerWaalsContact O-CB 3.27Å; E433-T437 WeakPolarHBondContact O-CB 3.32Å; E433-T437 PolarHBondContact O-N 3.47Å; E433-T437 PolarHBondContact O-OG1 3.22Å
434	R	98.1	Very high	94.7	Very high	55 Å²	55	65.2 Å²	65.2	21%	0.208	32%	0.316	C	S	.	.	H	α-helix	trans	-61.5	-50	177.1	177.6	63.4	175.7	173.3	-3.2	111.6	E340 S341 Y398 F402 I430 E431 I432 Y436 T437 L438	E340-R434 PolarHBondContact O-NH2 3.33Å; S341-R434 PolarHBondContact O-NE 2.68Å; S341-R434 PolarHBondContact O-NH2 3.21Å; Y398-R434 HydrophobicContact CD1-CB 4.44Å; Y398-R434 HydrophobicContact CE1-CB 3.53Å; Y398-R434 HydrophobicContact CE1-CG 3.83Å; Y398-R434 HydrophobicContact CE2-CG 4.2Å; Y398-R434 WeakPolarHBondContact OH-CD 3.16Å; Y398-R434 VanDerWaalsContact OH-CG 3.28Å; Y398-R434 WeakPolarHBondContact OH-CG 3.44Å; F402-R434 HydrophobicContact CE2-CG 4Å; F402-R434 HydrophobicContact CZ-CG 4.11Å; I430-R434 WeakPolarHBondContact O-CB 3.49Å; I430-R434 PolarHBondContact O-N 3.03Å; E431-R434 PolarHBondContact O-N 2.86Å; I432-R434 VanDerWaalsContact C-N 3.35Å; I432-R434 PolarHBondContact O-N 2.84Å; R434-Y436 PolarHBondContact O-N 2.99Å; R434-T437 PolarHBondContact O-N 3.32Å; R434-T437 VanDerWaalsContact O-N 3.16Å; R434-L438 HydrophobicContact CG-CD1 4.04Å; R434-L438 HydrophobicContact CG-CG 4.36Å; R434-L438 WeakPolarHBondContact O-CG 3.43Å; R434-L438 PolarHBondContact O-N 3.14Å
435	L	98.5	Very high	94.7	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-55.3	-49.8	-178.4	-75	171.1	0	0	0	111.1	F402 R405 L406 L409 F424 E431 I432 L438 I439	F402-L435 HydrophobicContact CD2-CD2 3.86Å; F402-L435 HydrophobicContact CD2-CG 4.22Å; F402-L435 HydrophobicContact CE2-CD2 3.61Å; F402-L435 HydrophobicContact CE2-CG 3.98Å; F402-L435 HydrophobicContact CZ-CD2 4.39Å; R405-L435 HydrophobicContact CB-CD1 3.69Å; R405-L435 HydrophobicContact CB-CD2 4.21Å; R405-L435 HydrophobicContact CG-CD1 4.45Å; L406-L435 HydrophobicContact CB-CD2 3.72Å; L406-L435 HydrophobicContact CD1-CD2 4.03Å; L406-L435 HydrophobicContact CG-CD2 4.44Å; L409-L435 HydrophobicContact CD1-CB 3.79Å; L409-L435 HydrophobicContact CD1-CD2 4.44Å; F424-L435 HydrophobicContact CZ-CD1 4.28Å; E431-L435 HydrophobicContact CG-CD1 3.99Å; E431-L435 HydrophobicContact CG-CG 4.27Å; E431-L435 WeakPolarHBondContact O-CB 3.41Å; E431-L435 VanDerWaalsContact O-CG 3.26Å; E431-L435 WeakPolarHBondContact O-CG 3.38Å; E431-L435 PolarHBondContact O-N 3.33Å; I432-L435 PolarHBondContact O-N 2.84Å; L435-L438 PolarHBondContact O-N 2.96Å; L435-I439 WeakPolarHBondContact O-CG1 3.28Å; L435-I439 PolarHBondContact O-N 3.2Å
436	Y	97.4	Very high	94.7	Very high	79 Å²	79	66.5 Å²	66.5	31%	0.31	32%	0.319	S	S	.	.	H	α-helix	trans	-72.1	-29.4	178.9	-74.5	-67.2	0	0	0	113.3	L409 I432 R434 I439 R440	L409-Y436 HydrophobicContact CD2-CE1 4.27Å; I432-Y436 HydrophobicContact CG2-CD2 3.75Å; I432-Y436 HydrophobicContact CG2-CE2 3.79Å; I432-Y436 VanDerWaalsContact O-CD2 3.27Å; I432-Y436 WeakPolarHBondContact O-CD2 3.1Å; I432-Y436 PolarHBondContact O-N 3.44Å; I432-Y436 VanDerWaalsContact O-N 3.1Å; R434-Y436 PolarHBondContact O-N 2.99Å; Y436-I439 PolarHBondContact O-N 3.38Å; Y436-R440 WeakPolarHBondContact O-CB 3.44Å; Y436-R440 VanDerWaalsContact O-CG 3.3Å; Y436-R440 WeakPolarHBondContact O-CG 3.24Å; Y436-R440 PolarHBondContact O-N 3.37Å
437	T	98	Very high	94.8	Very high	33 Å²	33	64.1 Å²	64.1	20%	0.202	31%	0.309	C	S	.	.	H	α-helix	trans	-64.6	-45.2	173.1	-64.4	0	0	0	0	111.5	E433 R434 I439 R440 Q441	E433-T437 VanDerWaalsContact O-CB 3.27Å; E433-T437 WeakPolarHBondContact O-CB 3.32Å; E433-T437 PolarHBondContact O-N 3.47Å; E433-T437 PolarHBondContact O-OG1 3.22Å; R434-T437 PolarHBondContact O-N 3.32Å; R434-T437 VanDerWaalsContact O-N 3.16Å; T437-I439 PolarHBondContact O-N 3.09Å; T437-R440 PolarHBondContact O-N 3.32Å; T437-R440 PolarHBondContact OG1-NH2 3.22Å; T437-Q441 WeakPolarHBondContact O-CG 3.14Å; T437-Q441 PolarHBondContact O-N 2.94Å
438	L	98.1	Very high	94.8	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-57.1	-48	175.2	-74.2	171.2	0	0	0	111.5	L343 V346 F402 L406 R434 L435 R440 Q441	L343-L438 HydrophobicContact CB-CD2 4.01Å; L343-L438 HydrophobicContact CD1-CD2 4.23Å; V346-L438 HydrophobicContact CG2-CB 3.9Å; V346-L438 HydrophobicContact CG2-CD1 4.43Å; V346-L438 HydrophobicContact CG2-CD2 4.46Å; F402-L438 HydrophobicContact CZ-CD1 3.92Å; L406-L438 HydrophobicContact CD1-CB 4.42Å; L406-L438 HydrophobicContact CD1-CD1 4Å; L406-L438 HydrophobicContact CD2-CD1 3.99Å; R434-L438 HydrophobicContact CG-CD1 4.04Å; R434-L438 HydrophobicContact CG-CG 4.36Å; R434-L438 WeakPolarHBondContact O-CG 3.43Å; R434-L438 PolarHBondContact O-N 3.14Å; L435-L438 PolarHBondContact O-N 2.96Å; L438-R440 PolarHBondContact O-N 3.04Å; L438-Q441 PolarHBondContact O-N 3.16Å
439	I	97.1	Very high	95.1	Very high	33 Å²	33	66.9 Å²	66.9	17%	0.169	32%	0.317	C	S	.	.	H	α-helix	trans	-67.3	-37.7	-179	-63.3	-62.2	0	0	0	112.3	L406 L409 L410 L435 Y436 T437 Q441 S442	L406-I439 HydrophobicContact CD1-CD1 4.36Å; L409-I439 HydrophobicContact CB-CD1 3.75Å; L409-I439 HydrophobicContact CB-CG1 3.79Å; L409-I439 HydrophobicContact CD1-CG1 3.82Å; L409-I439 HydrophobicContact CG-CG1 4.41Å; L410-I439 HydrophobicContact CD2-CD1 3.78Å; L410-I439 HydrophobicContact CG-CD1 4.19Å; L435-I439 WeakPolarHBondContact O-CG1 3.28Å; L435-I439 PolarHBondContact O-N 3.2Å; Y436-I439 PolarHBondContact O-N 3.38Å; T437-I439 PolarHBondContact O-N 3.09Å; I439-Q441 VanDerWaalsContact C-N 3.28Å; I439-Q441 PolarHBondContact O-N 2.97Å; I439-S442 PolarHBondContact O-N 3.2Å; I439-S442 PolarHBondContact O-OG 2.93Å
440	R	93.7	Very high	95.1	Very high	175 Å²	175	61.3 Å²	61.3	66%	0.66	28%	0.284	S	S	*	.	H	α-helix	trans	-66.5	-28	177.1	-76.8	-174.7	-61.9	-108.2	0.9	113.8	Y436 T437 L438 S442	Y436-R440 WeakPolarHBondContact O-CB 3.44Å; Y436-R440 VanDerWaalsContact O-CG 3.3Å; Y436-R440 WeakPolarHBondContact O-CG 3.24Å; Y436-R440 PolarHBondContact O-N 3.37Å; T437-R440 PolarHBondContact O-N 3.32Å; T437-R440 PolarHBondContact OG1-NH2 3.22Å; L438-R440 PolarHBondContact O-N 3.04Å; R440-S442 PolarHBondContact O-N 3.5Å
441	Q	85.1	Confident	94.9	Very high	126 Å²	126	59.6 Å²	59.6	59%	0.589	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-8.3	178	-72.1	173.9	-14.2	0	0	113	T437 L438 I439	T437-Q441 WeakPolarHBondContact O-CG 3.14Å; T437-Q441 PolarHBondContact O-N 2.94Å; L438-Q441 PolarHBondContact O-N 3.16Å; I439-Q441 VanDerWaalsContact C-N 3.28Å; I439-Q441 PolarHBondContact O-N 2.97Å
442	S	79.5	Confident	94.6	Very high	50 Å²	50	65 Å²	65	35%	0.35	30%	0.297	S	S	.	.			trans	-105.1	0	-169.9	75.4	0	0	0	0	114.7	T350 K413 I439 R440	T350-S442 WeakPolarHBondContact CG2-OXT 3.34Å; T350-S442 WeakPolarHBondContact OG1-CB 3.48Å; K413-S442 PolarHBondContact NZ-O 2.72Å; K413-S442 PolarHBondContact NZ-OG 3.17Å; K413-S442 PolarHBondContact NZ-OXT 2.95Å; I439-S442 PolarHBondContact O-N 3.2Å; I439-S442 PolarHBondContact O-OG 2.93Å; R440-S442 PolarHBondContact O-N 3.5Å

Retrieved 442 of 442 residues in 151.4 ms (Link to these results)

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