A0A087YL68_POEFO Loading...

H/ACA ribonucleoprotein complex subunit DKC1

AlphaFold DB , UniProt , Accession A0A087YL68, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 500 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	39.5	Very low	32.9	Very low	251 Å²	251	164.3 Å²	164.3	100%	1.236	87%	0.874	S	S	*	*				0	107.2	0	-75.7	-161.8	-105	0	0	106.9
2	A	35.8	Very low	32.6	Very low	84 Å²	84	168.3 Å²	168.3	69%	0.694	88%	0.878	S	S	*	*			trans	-88.6	152.7	177.8	0	0	0	0	0	109.3
3	D	31.9	Very low	32.5	Very low	156 Å²	156	170.3 Å²	170.3	83%	0.834	88%	0.875	S	S	*	*			trans	-169	95.8	146.4	-92.4	-30.5	0	0	0	106.9
4	L	33.2	Very low	32.7	Very low	158 Å²	158	167 Å²	167	83%	0.827	88%	0.875	S	S	*	*				64.9	105.5	83.7	-85.2	160.7	0	0	0	114.8
5	E	36.1	Very low	32.8	Very low	191 Å²	191	169.1 Å²	169.1	89%	0.893	87%	0.874	S	S	*	*			trans	-58.4	140.5	159.3	-67.2	176.9	134.4	0	0	111.5
6	A	31.3	Very low	33	Very low	95 Å²	95	170.5 Å²	170.5	79%	0.785	87%	0.871	S	S	*	*			trans	-149.2	114.9	155.7	0	0	0	0	0	111.3
7	S	32.5	Very low	33.5	Very low	118 Å²	118	169.2 Å²	169.2	83%	0.825	87%	0.873	S	S	*	*			trans	-67.9	135.4	167.5	70.6	0	0	0	0	111.5
8	V	30.7	Very low	34.1	Very low	138 Å²	138	167.7 Å²	167.7	84%	0.836	87%	0.866	S	S	*	*			trans	-134.1	114.3	161.7	-178.8	0	0	0	0	111
9	K	31.9	Very low	35.2	Very low	202 Å²	202	169.4 Å²	169.4	88%	0.878	87%	0.869	S	S	*	*			trans	-51.6	129.8	169.9	-72.2	166.7	172.4	169.4	0	112.2
10	K	29.6	Very low	36.3	Very low	209 Å²	209	167.1 Å²	167.1	91%	0.909	86%	0.855	S	S	*	*			trans	-103.7	106.1	157.8	-102.7	179.4	179.4	172.9	0	110.7	K12	K10-K12 PolarHBondContact O-N 3.47Å
11	K	29.2	Very low	37.7	Very low	205 Å²	205	162.6 Å²	162.6	89%	0.891	84%	0.838	S	S	*	*			trans	-49.8	121.6	163	-78.1	172	170.3	173.3	0	110.1	K13	K11-K13 PolarHBondContact O-N 3.39Å
12	K	29.6	Very low	39	Very low	213 Å²	213	155.6 Å²	155.6	93%	0.926	81%	0.809	S	S	*	*			trans	-86.5	105.6	161	-120.4	179.5	-177.9	178.9	0	108.4	K10	K10-K12 PolarHBondContact O-N 3.47Å
13	K	31.1	Very low	40.8	Very low	194 Å²	194	153.2 Å²	153.2	84%	0.843	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-55.4	140.1	170.7	-81.1	173.8	169.2	177	0	110.3	K11 K15	K11-K13 PolarHBondContact O-N 3.39Å; K13-K15 PolarHBondContact O-N 3.01Å
14	S	35.4	Very low	42.8	Very low	124 Å²	124	151.3 Å²	151.3	87%	0.867	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-53	116.3	160.8	46.5	0	0	0	0	109.4
15	K	34.2	Very low	44.6	Very low	199 Å²	199	146.8 Å²	146.8	87%	0.865	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-87.4	119.7	173.9	-125.6	-178.8	177.7	-169.6	0	107.4	K13 V17	K13-K15 PolarHBondContact O-N 3.01Å; K15-V17 PolarHBondContact O-N 3.43Å
16	K	36.6	Very low	46.3	Very low	191 Å²	191	144.3 Å²	144.3	83%	0.83	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-47.2	130.3	161.2	-91.1	175.7	166.2	-178.8	0	108.4	L18	K16-L18 PolarHBondContact O-N 3.21Å
17	V	40.4	Very low	48.2	Very low	149 Å²	149	148.5 Å²	148.5	90%	0.903	75%	0.747	S	S	*	*			trans	-64.3	101.1	167.6	-179.2	0	0	0	0	106.5	K15	K15-V17 PolarHBondContact O-N 3.43Å
18	L	45.6	Very low	50.1	Low	142 Å²	142	147.3 Å²	147.3	74%	0.743	74%	0.739	S	S	*	*			trans	-76.1	139.4	160.3	-82.2	151.8	0	0	0	106	K16 E20	K16-L18 PolarHBondContact O-N 3.21Å; L18-E20 VanDerWaalsContact C-N 3.29Å; L18-E20 PolarHBondContact O-N 3.47Å
19	E	53.8	Low	51.8	Low	199 Å²	199	142 Å²	142	93%	0.93	71%	0.713	S	S	*	*			trans	-59.9	91.8	172.8	-71.2	175.1	153.2	0	0	108.9	S21	E19-S21 PolarHBondContact O-N 3.44Å
20	E	58.3	Low	53.4	Low	124 Å²	124	138.8 Å²	138.8	58%	0.579	71%	0.705	S	S	*	*			trans	-64.8	130.3	168.8	-72.4	175.6	174.6	0	0	107.8	L18 V22 I25	L18-E20 VanDerWaalsContact C-N 3.29Å; L18-E20 PolarHBondContact O-N 3.47Å; E20-V22 PolarHBondContact O-N 3.15Å; E20-I25 HydrophobicContact CB-CD1 3.98Å; E20-I25 HydrophobicContact CB-CG1 3.8Å
21	S	64.8	Low	55.2	Low	73 Å²	73	135.6 Å²	135.6	51%	0.51	69%	0.691	S	S	.	*			trans	-56.9	137.4	174.6	165.3	0	0	0	0	109	E19 G23 E24 I25	E19-S21 PolarHBondContact O-N 3.44Å; S21-G23 PolarHBondContact O-N 3.22Å; S21-G23 PolarHBondContact OG-N 3.49Å; S21-E24 PolarHBondContact O-N 2.96Å; S21-I25 PolarHBondContact O-N 2.82Å
22	V	67.6	Low	57.2	Low	103 Å²	103	131.5 Å²	131.5	62%	0.624	67%	0.674	S	S	*	*	H	α-helix	trans	-50.3	-31.2	178.7	177.2	0	0	0	0	111.7	E20 Q26	E20-V22 PolarHBondContact O-N 3.15Å; V22-Q26 WeakPolarHBondContact O-CB 3.13Å; V22-Q26 WeakPolarHBondContact O-CG 3.07Å; V22-Q26 PolarHBondContact O-N 3.31Å
23	G	74.1	Confident	58.5	Low	35 Å²	35	129.3 Å²	129.3	36%	0.361	67%	0.67	S	S	.	*	H	α-helix	trans	-67.7	-35.5	175.9	0	0	0	0	0	114.6	S21 Q27	S21-G23 PolarHBondContact O-N 3.22Å; S21-G23 PolarHBondContact OG-N 3.49Å; G23-Q27 PolarHBondContact O-N 2.84Å; G23-Q27 VanDerWaalsContact O-N 3.15Å
24	E	72.9	Confident	60.3	Low	115 Å²	115	125.4 Å²	125.4	54%	0.537	66%	0.655	S	S	.	*	H	α-helix	trans	-74.7	-36.3	177.5	-66	178	166.5	0	0	111.4	S21 Q27 S28	S21-E24 PolarHBondContact O-N 2.96Å; E24-Q27 PolarHBondContact O-N 3.37Å; E24-S28 WeakPolarHBondContact O-CB 3.13Å; E24-S28 PolarHBondContact O-N 2.74Å; E24-S28 VanDerWaalsContact O-N 3.13Å; E24-S28 PolarHBondContact O-OG 3.13Å
25	I	71.9	Confident	61.2	Low	63 Å²	63	125.1 Å²	125.1	32%	0.323	65%	0.65	S	S	.	*	H	α-helix	trans	-61.5	-48.3	171.9	-66.1	174.6	0	0	0	109	E20 S21 Q27 S28 G29 F31	E20-I25 HydrophobicContact CB-CD1 3.98Å; E20-I25 HydrophobicContact CB-CG1 3.8Å; S21-I25 PolarHBondContact O-N 2.82Å; I25-Q27 VanDerWaalsContact C-N 3.3Å; I25-Q27 PolarHBondContact O-N 2.94Å; I25-S28 PolarHBondContact O-N 3.31Å; I25-G29 PolarHBondContact O-N 3.45Å; I25-F31 HydrophobicContact CB-CZ 4.44Å; I25-F31 HydrophobicContact CG2-CE1 3.8Å; I25-F31 HydrophobicContact CG2-CE2 4.33Å; I25-F31 HydrophobicContact CG2-CZ 3.31Å; I25-F31 WeakPolarHBondContact O-CE2 3.42Å; I25-F31 WeakPolarHBondContact O-CZ 3.08Å
26	Q	69.9	Low	62.4	Low	140 Å²	140	122.9 Å²	122.9	65%	0.654	64%	0.643	S	S	*	*	H	α-helix	trans	-60.3	-33.3	177.3	-81.1	178.6	-29.8	0	0	114.5	V22	V22-Q26 WeakPolarHBondContact O-CB 3.13Å; V22-Q26 WeakPolarHBondContact O-CG 3.07Å; V22-Q26 PolarHBondContact O-N 3.31Å
27	Q	71.3	Confident	63.7	Low	182 Å²	182	119.7 Å²	119.7	85%	0.85	65%	0.645	S	S	*	*	H	α-helix	trans	-82.4	-24.8	-179.3	-114.9	175.1	-1.9	0	0	113.9	G23 E24 I25	G23-Q27 PolarHBondContact O-N 2.84Å; G23-Q27 VanDerWaalsContact O-N 3.15Å; E24-Q27 PolarHBondContact O-N 3.37Å; I25-Q27 VanDerWaalsContact C-N 3.3Å; I25-Q27 PolarHBondContact O-N 2.94Å
28	S	72.8	Confident	64.6	Low	94 Å²	94	118.5 Å²	118.5	66%	0.657	63%	0.632	S	S	*	*	H	α-helix	trans	-107.8	-18.9	-173.3	61.5	0	0	0	0	114.4	E24 I25	E24-S28 WeakPolarHBondContact O-CB 3.13Å; E24-S28 PolarHBondContact O-N 2.74Å; E24-S28 VanDerWaalsContact O-N 3.13Å; E24-S28 PolarHBondContact O-OG 3.13Å; I25-S28 PolarHBondContact O-N 3.31Å
29	G	67.2	Low	65.5	Low	27 Å²	27	115.8 Å²	115.8	28%	0.278	63%	0.63	S	S	.	*			trans	-97.5	125.2	-178.2	0	0	0	0	0	113.2	I25 F31	I25-G29 PolarHBondContact O-N 3.45Å; G29-F31 WeakPolarHBondContact O-CD2 3.37Å; G29-F31 WeakPolarHBondContact O-CE2 3.48Å; G29-F31 PolarHBondContact O-N 2.92Å; G29-F31 VanDerWaalsContact O-N 3.13Å
30	D	66.1	Low	65.8	Low	134 Å²	134	112.1 Å²	112.1	72%	0.717	62%	0.623	S	S	*	*			trans	-77.3	90.3	160.7	-78.4	-31.2	0	0	0	108.4	F32	D30-F32 HydrophobicContact CB-CD1 3.92Å; D30-F32 HydrophobicContact CB-CE1 3.68Å; D30-F32 PolarHBondContact O-N 2.98Å
31	F	67.6	Low	66.2	Low	141 Å²	141	111 Å²	111	62%	0.618	63%	0.629	S	S	*	*			trans	-78.7	55.1	-178.1	-58.9	-76.8	0	0	0	112.8	I25 G29	I25-F31 HydrophobicContact CB-CZ 4.44Å; I25-F31 HydrophobicContact CG2-CE1 3.8Å; I25-F31 HydrophobicContact CG2-CE2 4.33Å; I25-F31 HydrophobicContact CG2-CZ 3.31Å; I25-F31 WeakPolarHBondContact O-CE2 3.42Å; I25-F31 WeakPolarHBondContact O-CZ 3.08Å; G29-F31 WeakPolarHBondContact O-CD2 3.37Å; G29-F31 WeakPolarHBondContact O-CE2 3.48Å; G29-F31 PolarHBondContact O-N 2.92Å; G29-F31 VanDerWaalsContact O-N 3.13Å
32	F	70.1	Confident	66.8	Low	120 Å²	120	113 Å²	113	53%	0.526	63%	0.634	S	S	.	*	S	Bend	trans	-126.9	146.7	169.4	70.2	-90.7	0	0	0	111	D30 Q34	D30-F32 HydrophobicContact CB-CD1 3.92Å; D30-F32 HydrophobicContact CB-CE1 3.68Å; D30-F32 PolarHBondContact O-N 2.98Å; F32-Q34 PolarHBondContact O-N 3.38Å
33	I	57.3	Low	67.5	Low	167 Å²	167	113 Å²	113	86%	0.856	63%	0.63	S	S	*	*			trans	-70.7	115.4	179.4	-58	171.4	0	0	0	107.2
34	Q	69.6	Low	68.1	Low	112 Å²	112	111.4 Å²	111.4	52%	0.523	61%	0.613	S	S	.	*			trans	-63.8	139.8	175.2	-67.6	-68.7	-24.6	0	0	109.6	F32 E36	F32-Q34 PolarHBondContact O-N 3.38Å; Q34-E36 PolarHBondContact O-N 3.27Å
35	P	52.8	Low	68.8	Low	118 Å²	118	107.2 Å²	107.2	77%	0.766	60%	0.597	S	S	*	*			trans	-66.9	105	176.2	26	-31.7	0	0	0	109.8
36	E	60.4	Low	69.6	Low	151 Å²	151	112.1 Å²	112.1	71%	0.706	62%	0.618	S	S	*	*			trans	-89.3	130	170.8	-70.8	-179.1	-177.5	0	0	109.6	Q34 I38	Q34-E36 PolarHBondContact O-N 3.27Å; E36-I38 PolarHBondContact O-N 3.38Å
37	S	64.2	Low	70.5	Confident	125 Å²	125	110.1 Å²	110.1	87%	0.874	61%	0.605	S	S	*	*	S	Bend	trans	-71.1	-5.1	178.4	56.6	0	0	0	0	113.6
38	I	59.4	Low	71.3	Confident	124 Å²	124	104 Å²	104	64%	0.636	58%	0.581	S	S	*	*	S	Bend	trans	-127.4	125.3	-174.9	-57.5	173.8	0	0	0	107.5	E36	E36-I38 PolarHBondContact O-N 3.38Å
39	A	63.1	Low	72.3	Confident	84 Å²	84	101.3 Å²	101.3	69%	0.694	56%	0.559	S	S	*	*			trans	-60.3	134.9	171.7	0	0	0	0	0	109.7	S41	A39-S41 PolarHBondContact O-N 2.98Å
40	P	60.1	Low	73.6	Confident	122 Å²	122	100.1 Å²	100.1	79%	0.792	55%	0.546	S	S	*	.			trans	-59.5	115.6	-177	21.9	-32.3	0	0	0	110.4
41	S	67.1	Low	74.9	Confident	101 Å²	101	94.2 Å²	94.2	71%	0.706	52%	0.515	S	S	*	.			trans	-79.1	122.2	175.4	65.9	0	0	0	0	109.3	A39 D43	A39-S41 PolarHBondContact O-N 2.98Å; S41-D43 PolarHBondContact O-N 3.13Å; S41-D43 VanDerWaalsContact O-N 3.11Å
42	L	77	Confident	76.1	Confident	116 Å²	116	92.9 Å²	92.9	61%	0.607	51%	0.508	S	S	*	.			trans	-60.9	113.9	175.8	-172.4	76.2	0	0	0	110.2	T44 W47	L42-T44 HydrophobicContact CB-CG2 4.44Å; L42-T44 HydrophobicContact CD2-CG2 3.62Å; L42-T44 HydrophobicContact CG-CG2 3.88Å; L42-T44 PolarHBondContact O-N 2.86Å; L42-T44 VanDerWaalsContact O-N 3.12Å; L42-W47 HydrophobicContact CD2-CH2 4.08Å; L42-W47 HydrophobicContact CD2-CZ2 3.72Å
43	D	82.3	Confident	77.2	Confident	101 Å²	101	89.3 Å²	89.3	54%	0.54	50%	0.495	S	S	.	.			trans	-69.7	112.4	171.8	-176.2	17.3	0	0	0	109.5	S41 S45 H55	S41-D43 PolarHBondContact O-N 3.13Å; S41-D43 VanDerWaalsContact O-N 3.11Å; D43-S45 VanDerWaalsContact CG-OG 3.29Å; D43-S45 WeakPolarHBondContact OD1-CB 3.03Å; D43-S45 PolarHBondContact OD1-N 3.09Å; D43-S45 PolarHBondContact OD1-OG 3.29Å; D43-S45 PolarHBondContact OD2-OG 2.91Å; D43-H55 IonicContact OD1-CE1 2.76Å
44	T	88.3	Confident	78.7	Confident	2 Å²	2	82.6 Å²	82.6	1%	0.012	46%	0.459	C	S	.	.			trans	-111.6	19.2	178.5	51.2	0	0	0	0	111.7	L42 Q46 W47 N53 F54 H55	L42-T44 HydrophobicContact CB-CG2 4.44Å; L42-T44 HydrophobicContact CD2-CG2 3.62Å; L42-T44 HydrophobicContact CG-CG2 3.88Å; L42-T44 PolarHBondContact O-N 2.86Å; L42-T44 VanDerWaalsContact O-N 3.12Å; T44-Q46 PolarHBondContact O-N 2.82Å; T44-W47 HydrophobicContact CG2-CD2 3.57Å; T44-W47 HydrophobicContact CG2-CE3 3.79Å; T44-W47 HydrophobicContact CG2-CG 4.11Å; T44-W47 HydrophobicContact CG2-CH2 4.11Å; T44-W47 HydrophobicContact CG2-CZ2 3.82Å; T44-W47 HydrophobicContact CG2-CZ3 4.08Å; T44-W47 WeakPolarHBondContact O-CB 3.43Å; T44-W47 PolarHBondContact O-N 2.92Å; T44-N53 PolarHBondContact O-N 2.87Å; T44-F54 HydrophobicContact CG2-CB 4.42Å; T44-F54 PolarHBondContact OG1-N 2.96Å; T44-F54 VanDerWaalsContact OG1-N 3.13Å; T44-H55 PolarHBondContact N-ND1 3.1Å; T44-H55 WeakPolarHBondContact OG1-CB 3.33Å; T44-H55 PolarHBondContact OG1-N 3.5Å; T44-H55 PolarHBondContact OG1-ND1 2.87Å
45	S	87.6	Confident	79.6	Confident	27 Å²	27	81.1 Å²	81.1	19%	0.189	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-32.4	177.3	66.8	0	0	0	0	113.3	D43 K52 N53	D43-S45 VanDerWaalsContact CG-OG 3.29Å; D43-S45 WeakPolarHBondContact OD1-CB 3.03Å; D43-S45 PolarHBondContact OD1-N 3.09Å; D43-S45 PolarHBondContact OD1-OG 3.29Å; D43-S45 PolarHBondContact OD2-OG 2.91Å; S45-K52 WeakPolarHBondContact O-CE 3.43Å; S45-K52 WeakPolarHBondContact O-CG 3.02Å; S45-N53 WeakPolarHBondContact CA-OD1 3.43Å
46	Q	87	Confident	81.5	Confident	167 Å²	167	81.7 Å²	81.7	78%	0.78	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-1.4	179.9	-57	-54.3	-42.8	0	0	113.7	T44	T44-Q46 PolarHBondContact O-N 2.82Å
47	W	89.1	Confident	83	Confident	98 Å²	98	74.8 Å²	74.8	37%	0.371	41%	0.411	S	S	.	.			trans	-66.8	144.8	179.8	-78.3	20.4	0	0	0	111.1	L42 T44 L51 K52 F54	L42-W47 HydrophobicContact CD2-CH2 4.08Å; L42-W47 HydrophobicContact CD2-CZ2 3.72Å; T44-W47 HydrophobicContact CG2-CD2 3.57Å; T44-W47 HydrophobicContact CG2-CE3 3.79Å; T44-W47 HydrophobicContact CG2-CG 4.11Å; T44-W47 HydrophobicContact CG2-CH2 4.11Å; T44-W47 HydrophobicContact CG2-CZ2 3.82Å; T44-W47 HydrophobicContact CG2-CZ3 4.08Å; T44-W47 WeakPolarHBondContact O-CB 3.43Å; T44-W47 PolarHBondContact O-N 2.92Å; W47-L51 HydrophobicContact CB-CB 4.22Å; W47-L51 VanDerWaalsContact CB-O 3.31Å; W47-L51 WeakPolarHBondContact CB-O 3.29Å; W47-L51 HydrophobicContact CE3-CB 3.93Å; W47-L51 HydrophobicContact CE3-CD1 4.35Å; W47-K52 WeakPolarHBondContact O-CA 3.49Å; W47-K52 WeakPolarHBondContact O-CB 3.36Å; W47-K52 PolarHBondContact O-N 3.26Å; W47-F54 HydrophobicContact CE3-CB 4.16Å; W47-F54 HydrophobicContact CZ3-CB 4.44Å; W47-F54 HydrophobicContact CZ3-CD1 4.49Å
48	P	89.3	Confident	84.4	Confident	53 Å²	53	71.4 Å²	71.4	34%	0.344	38%	0.383	S	S	.	.			trans	-76.5	151.6	-171.8	30.4	-35.7	0	0	0	112.3	L50 L51 L74	P48-L50 PolarHBondContact O-N 3.08Å; P48-L51 PolarHBondContact O-N 3.1Å; P48-L51 VanDerWaalsContact O-N 3.12Å; P48-L74 HydrophobicContact CB-CD1 3.48Å; P48-L74 VanDerWaalsContact CB-CD1 3.48Å; P48-L74 HydrophobicContact CB-CG 4.44Å; P48-L74 HydrophobicContact CG-CD1 3.75Å
49	L	93.2	Very high	86	Confident	37 Å²	37	70.2 Å²	70.2	19%	0.194	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	55.2	-128.7	165	-54.3	166.9	0	0	0	112.5	L51 K52 P73 L74 P283 E285 K286	L49-L51 PolarHBondContact O-N 3.07Å; L49-K52 VanDerWaalsContact O-CB 3.3Å; L49-K52 WeakPolarHBondContact O-CB 3.42Å; L49-K52 PolarHBondContact O-N 3.04Å; L49-P73 HydrophobicContact CD1-CB 3.85Å; L49-P73 HydrophobicContact CD1-CG 4.37Å; L49-L74 HydrophobicContact CD1-CD2 4.07Å; L49-L74 HydrophobicContact CD1-CG 4.1Å; L49-P283 HydrophobicContact CD1-CB 4.43Å; L49-P283 HydrophobicContact CD1-CG 3.47Å; L49-P283 VanDerWaalsContact CD1-CG 3.47Å; L49-P283 HydrophobicContact CD2-CG 4.31Å; L49-E285 HydrophobicContact CB-CB 4.46Å; L49-E285 HydrophobicContact CD1-CB 4.29Å; L49-K286 HydrophobicContact CD2-CB 3.7Å; L49-K286 HydrophobicContact CD2-CG 4.15Å
50	L	94.5	Very high	87.2	Confident	3 Å²	3	70.1 Å²	70.1	2%	0.016	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-71.9	-11.3	-176.2	-58.7	177.7	0	0	0	113.3	P48 E285 L288 V289 R293 V329 I331 A337	P48-L50 PolarHBondContact O-N 3.08Å; L50-E285 HydrophobicContact CD1-CB 3.8Å; L50-E285 HydrophobicContact CD1-CG 3.66Å; L50-E285 HydrophobicContact CG-CB 4.04Å; L50-E285 HydrophobicContact CG-CG 4.34Å; L50-L288 HydrophobicContact CD1-CB 4.42Å; L50-L288 HydrophobicContact CD2-CB 4.14Å; L50-V289 HydrophobicContact CD2-CG1 4.21Å; L50-R293 WeakPolarHBondContact O-CD 3.26Å; L50-R293 PolarHBondContact O-NH1 3.49Å; L50-V329 HydrophobicContact CD1-CG2 4.33Å; L50-V329 HydrophobicContact CD2-CG1 4.42Å; L50-I331 HydrophobicContact CB-CD1 4.16Å; L50-I331 HydrophobicContact CB-CG2 4.28Å; L50-I331 HydrophobicContact CD1-CG2 3.57Å; L50-I331 HydrophobicContact CG-CG2 4.48Å; L50-A337 HydrophobicContact CD1-CB 4.23Å
51	L	93.7	Very high	88.5	Confident	10 Å²	10	66.1 Å²	66.1	5%	0.052	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-91.3	-3.4	175	-69	-176.4	0	0	0	113.2	W47 P48 L49 N53 F54	W47-L51 HydrophobicContact CB-CB 4.22Å; W47-L51 VanDerWaalsContact CB-O 3.31Å; W47-L51 WeakPolarHBondContact CB-O 3.29Å; W47-L51 HydrophobicContact CE3-CB 3.93Å; W47-L51 HydrophobicContact CE3-CD1 4.35Å; P48-L51 PolarHBondContact O-N 3.1Å; P48-L51 VanDerWaalsContact O-N 3.12Å; L49-L51 PolarHBondContact O-N 3.07Å; L51-N53 PolarHBondContact O-N 2.8Å; L51-F54 HydrophobicContact CD2-CD2 3.88Å; L51-F54 HydrophobicContact CD2-CE2 4.17Å; L51-F54 WeakPolarHBondContact O-CB 3.21Å; L51-F54 PolarHBondContact O-N 2.89Å
52	K	92.9	Very high	89.3	Confident	113 Å²	113	65 Å²	65	49%	0.491	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	132.8	174.6	-170.3	177.1	179.8	174.7	0	111.1	S45 W47 L49 F54 R293	S45-K52 WeakPolarHBondContact O-CE 3.43Å; S45-K52 WeakPolarHBondContact O-CG 3.02Å; W47-K52 WeakPolarHBondContact O-CA 3.49Å; W47-K52 WeakPolarHBondContact O-CB 3.36Å; W47-K52 PolarHBondContact O-N 3.26Å; L49-K52 VanDerWaalsContact O-CB 3.3Å; L49-K52 WeakPolarHBondContact O-CB 3.42Å; L49-K52 PolarHBondContact O-N 3.04Å; K52-F54 VanDerWaalsContact C-N 3.27Å; K52-F54 PolarHBondContact O-N 2.81Å; K52-R293 PolarHBondContact O-NH1 3.21Å
53	N	92.4	Very high	89.6	Confident	44 Å²	44	66.5 Å²	66.5	24%	0.235	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	35.8	-177.9	-54.3	-46.3	0	0	0	113.4	T44 S45 L51 H55 K56	T44-N53 PolarHBondContact O-N 2.87Å; S45-N53 WeakPolarHBondContact CA-OD1 3.43Å; L51-N53 PolarHBondContact O-N 2.8Å; N53-H55 PolarHBondContact O-N 2.85Å; N53-K56 HydrophobicContact CB-CD 4.04Å; N53-K56 HydrophobicContact CB-CG 4.14Å; N53-K56 PolarHBondContact O-N 3Å; N53-K56 VanDerWaalsContact O-N 3.11Å
54	F	89.8	Confident	89.8	Confident	26 Å²	26	65.2 Å²	65.2	11%	0.114	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-58.6	-32.2	-179.8	-173.9	-101.7	0	0	0	113.3	T44 W47 L51 K52 K56 L57 V295	T44-F54 HydrophobicContact CG2-CB 4.42Å; T44-F54 PolarHBondContact OG1-N 2.96Å; T44-F54 VanDerWaalsContact OG1-N 3.13Å; W47-F54 HydrophobicContact CE3-CB 4.16Å; W47-F54 HydrophobicContact CZ3-CB 4.44Å; W47-F54 HydrophobicContact CZ3-CD1 4.49Å; L51-F54 HydrophobicContact CD2-CD2 3.88Å; L51-F54 HydrophobicContact CD2-CE2 4.17Å; L51-F54 WeakPolarHBondContact O-CB 3.21Å; L51-F54 PolarHBondContact O-N 2.89Å; K52-F54 VanDerWaalsContact C-N 3.27Å; K52-F54 PolarHBondContact O-N 2.81Å; F54-K56 PolarHBondContact O-N 2.87Å; F54-L57 HydrophobicContact CD2-CD1 3.65Å; F54-L57 HydrophobicContact CE2-CD1 3.95Å; F54-L57 HydrophobicContact CG-CD1 4.35Å; F54-L57 WeakPolarHBondContact O-CB 3.41Å; F54-L57 WeakPolarHBondContact O-CG 3.42Å; F54-L57 PolarHBondContact O-N 2.81Å; F54-V295 HydrophobicContact CE2-CG1 4.39Å; F54-V295 HydrophobicContact CE2-CG2 3.93Å
55	H	88.1	Confident	89.6	Confident	81 Å²	81	70.3 Å²	70.3	38%	0.375	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-63.2	-23.7	177.4	67.3	-83	0	0	0	113.7	D43 T44 N53 L57	D43-H55 IonicContact OD1-CE1 2.76Å; T44-H55 PolarHBondContact N-ND1 3.1Å; T44-H55 WeakPolarHBondContact OG1-CB 3.33Å; T44-H55 PolarHBondContact OG1-N 3.5Å; T44-H55 PolarHBondContact OG1-ND1 2.87Å; N53-H55 PolarHBondContact O-N 2.85Å; H55-L57 PolarHBondContact O-N 2.92Å
56	K	91.4	Very high	89.7	Confident	130 Å²	130	72.9 Å²	72.9	57%	0.565	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-78.4	-8.4	178.5	-59.4	-167.9	-179.1	-174.8	0	113.3	N53 F54	N53-K56 HydrophobicContact CB-CD 4.04Å; N53-K56 HydrophobicContact CB-CG 4.14Å; N53-K56 PolarHBondContact O-N 3Å; N53-K56 VanDerWaalsContact O-N 3.11Å; F54-K56 PolarHBondContact O-N 2.87Å
57	L	92.4	Very high	89.8	Confident	6 Å²	6	66.2 Å²	66.2	3%	0.031	34%	0.337	C	S	.	.	S	Bend	trans	-76.3	136.2	179.5	-61	176.7	0	0	0	110.9	F54 H55 V295 R317 E319	F54-L57 HydrophobicContact CD2-CD1 3.65Å; F54-L57 HydrophobicContact CE2-CD1 3.95Å; F54-L57 HydrophobicContact CG-CD1 4.35Å; F54-L57 WeakPolarHBondContact O-CB 3.41Å; F54-L57 WeakPolarHBondContact O-CG 3.42Å; F54-L57 PolarHBondContact O-N 2.81Å; H55-L57 PolarHBondContact O-N 2.92Å; L57-V295 HydrophobicContact CD1-CG2 3.71Å; L57-R317 HydrophobicContact CB-CB 3.96Å; L57-R317 HydrophobicContact CB-CG 4.38Å; L57-R317 HydrophobicContact CD1-CB 4.23Å; L57-E319 HydrophobicContact CD2-CB 4.21Å; L57-E319 HydrophobicContact CD2-CG 4.3Å; L57-E319 WeakPolarHBondContact CD2-OE2 3.46Å
58	N	93.6	Very high	89.7	Confident	54 Å²	54	68 Å²	68	29%	0.289	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	137.3	174.2	-66.1	-41	0	0	0	110.3	R317 Y318	N58-R317 CarbonylContact O-C 3.58Å; N58-R317 WeakPolarHBondContact O-CA 3.27Å; N58-R317 WeakPolarHBondContact O-CB 3.43Å; N58-R317 WeakPolarHBondContact O-CG 3.46Å; N58-Y318 HydrophobicContact CB-CD1 4.11Å; N58-Y318 HydrophobicContact CB-CD2 3.82Å; N58-Y318 HydrophobicContact CB-CE1 3.75Å; N58-Y318 HydrophobicContact CB-CE2 3.47Å; N58-Y318 VanDerWaalsContact CB-CE2 3.47Å; N58-Y318 HydrophobicContact CB-CG 4.13Å; N58-Y318 VanDerWaalsContact CB-CZ 3.42Å; N58-Y318 PolarHBondContact N-O 3.03Å; N58-Y318 PolarHBondContact O-N 2.94Å
59	I	92.7	Very high	89.7	Confident	100 Å²	100	66.9 Å²	66.9	51%	0.513	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	114	-177	-55.1	177.9	0	0	0	109	A62 R317	I59-A62 HydrophobicContact CG2-CB 4.45Å; I59-R317 HydrophobicContact CG1-CG 4.34Å
60	R	89.5	Confident	89.5	Confident	82 Å²	82	66.8 Å²	66.8	31%	0.309	36%	0.363	S	S	.	.	S	Bend	trans	-83.5	-41.8	169.2	-172.9	61.4	177.9	108.1	-7	111.1	V315 L316 Y318 I350 C353 D354	R60-V315 HydrophobicContact CB-CG1 4.48Å; R60-L316 PolarHBondContact N-O 3.38Å; R60-Y318 HydrophobicContact CB-CD1 4.27Å; R60-Y318 HydrophobicContact CB-CE1 3.97Å; R60-I350 PolarHBondContact NE-O 2.91Å; R60-C353 PolarHBondContact NH2-O 3.49Å; R60-D354 IonicContact NH2-OD1 3.76Å
61	T	86.9	Confident	89.4	Confident	38 Å²	38	68.3 Å²	68.3	23%	0.233	37%	0.373	C	S	.	.			trans	-152.2	134.1	176.1	-175.6	0	0	0	0	109.8	H63 L316	T61-H63 PolarHBondContact OG1-N 3.49Å; T61-L316 PolarHBondContact N-O 2.8Å; T61-L316 WeakPolarHBondContact O-CD2 3.5Å
62	A	83.1	Confident	89.4	Confident	77 Å²	77	69.8 Å²	69.8	64%	0.636	38%	0.381	S	S	*	.	S	Bend	trans	-84	-20.7	175.8	0	0	0	0	0	112.2	I59	I59-A62 HydrophobicContact CG2-CB 4.45Å
63	H	83.9	Confident	89.5	Confident	148 Å²	148	64.5 Å²	64.5	69%	0.685	36%	0.359	S	S	*	.			trans	-92.8	121.9	-172.7	-175.7	-86.8	0	0	0	111.9	T61	T61-H63 PolarHBondContact OG1-N 3.49Å
64	Y	86.1	Confident	89.6	Confident	73 Å²	73	66.1 Å²	66.1	29%	0.286	37%	0.367	S	S	.	.			trans	-152.9	158.7	169.6	76.6	-71.5	0	0	0	109.5	P66 L316 T333	Y64-P66 HydrophobicContact CD2-CG 4.31Å; Y64-P66 HydrophobicContact CE2-CB 3.96Å; Y64-P66 HydrophobicContact CE2-CG 3.72Å; Y64-P66 WeakPolarHBondContact O-CD 3.46Å; Y64-L316 HydrophobicContact CD1-CD1 3.57Å; Y64-L316 HydrophobicContact CD2-CD1 4.17Å; Y64-L316 HydrophobicContact CE1-CD1 4.04Å; Y64-L316 HydrophobicContact CG-CD1 3.63Å; Y64-T333 HydrophobicContact CD2-CG2 4.27Å; Y64-T333 HydrophobicContact CE1-CG2 4.41Å; Y64-T333 HydrophobicContact CE2-CG2 3.68Å
65	T	85.6	Confident	89.8	Confident	109 Å²	109	73 Å²	73	67%	0.669	40%	0.397	S	S	*	.			trans	-98	109.4	173.8	-46.6	0	0	0	0	108.3
66	P	89.1	Confident	90.1	Very high	82 Å²	82	70 Å²	70	53%	0.532	38%	0.382	S	S	.	.			trans	-62.3	139.4	176.6	-18.4	30.9	0	0	0	110.4	Y64	Y64-P66 HydrophobicContact CD2-CG 4.31Å; Y64-P66 HydrophobicContact CE2-CB 3.96Å; Y64-P66 HydrophobicContact CE2-CG 3.72Å; Y64-P66 WeakPolarHBondContact O-CD 3.46Å
67	I	88.3	Confident	90.3	Very high	26 Å²	26	67.9 Å²	67.9	13%	0.133	38%	0.377	C	S	.	.			trans	-107.1	132.2	174.5	-54.2	178.8	0	0	0	108	C69 D298 K334 P372 K374	I67-C69 HydrophobicContact CG2-CB 4.33Å; I67-C69 WeakPolarHBondContact CG2-SG 3.31Å; I67-C69 PolarHBondContact O-N 3.24Å; I67-D298 HydrophobicContact CB-CB 4.14Å; I67-D298 HydrophobicContact CD1-CB 3.88Å; I67-D298 HydrophobicContact CG1-CB 3.74Å; I67-D298 PolarHBondContact N-OD2 2.94Å; I67-K334 PolarHBondContact O-NZ 3.2Å; I67-P372 HydrophobicContact CD1-CG 4.02Å; I67-P372 HydrophobicContact CG2-CG 3.87Å; I67-K374 HydrophobicContact CD1-CG 4.42Å
68	P	88.3	Confident	90.4	Very high	135 Å²	135	68.2 Å²	68.2	88%	0.877	38%	0.379	S	S	*	.	S	Bend	trans	-74.1	21.8	-174.7	31.5	-37.4	0	0	0	114.5
69	C	88.3	Confident	90.5	Very high	30 Å²	30	69.4 Å²	69.4	20%	0.203	39%	0.388	C	S	.	.			trans	-103.4	161.4	177.8	60.7	0	0	0	0	112.1	I67 K334 T370 Y371 P372	I67-C69 HydrophobicContact CG2-CB 4.33Å; I67-C69 WeakPolarHBondContact CG2-SG 3.31Å; I67-C69 PolarHBondContact O-N 3.24Å; C69-K334 VanDerWaalsContact O-CE 3.25Å; C69-K334 WeakPolarHBondContact O-CE 3.43Å; C69-K334 PolarHBondContact O-NZ 3.46Å; C69-T370 WeakPolarHBondContact CB-O 3.49Å; C69-Y371 PolarHBondContact O-OH 3.32Å; C69-Y371 WeakPolarHBondContact SG-CD1 3.39Å; C69-Y371 VanDerWaalsContact SG-CE1 3.59Å; C69-Y371 VanDerWaalsContact SG-CG 3.54Å; C69-P372 VanDerWaalsContact SG-CD 3.55Å
70	G	89.1	Confident	90.6	Very high	36 Å²	36	67.7 Å²	67.7	37%	0.371	38%	0.38	S	S	.	.	S	Bend	trans	73.4	-179.4	-174.1	0	0	0	0	0	112.4
71	S	91.7	Very high	90.9	Very high	34 Å²	34	64.2 Å²	64.2	24%	0.238	37%	0.367	C	S	.	.			trans	-153.3	147.1	-177.3	174.6	0	0	0	0	111.2	K75 R76 E336	S71-K75 VanDerWaalsContact OG-C 3.3Å; S71-K75 PolarHBondContact OG-O 3.37Å; S71-R76 PolarHBondContact OG-N 2.92Å; S71-E336 PolarHBondContact N-OE1 2.82Å; S71-E336 WeakPolarHBondContact O-CG 3.49Å; S71-E336 VanDerWaalsContact O-OE1 3.05Å
72	N	93.8	Very high	91.4	Very high	41 Å²	41	63.1 Å²	63.1	22%	0.219	36%	0.36	C	S	.	.			trans	-51.7	136.7	165.7	-178.4	-63.6	0	0	0	109.6	L74 K75 R76 K334	N72-L74 PolarHBondContact O-N 3.02Å; N72-L74 VanDerWaalsContact O-N 3.13Å; N72-L74 PolarHBondContact OD1-N 2.77Å; N72-K75 HydrophobicContact CB-CB 4.34Å; N72-K75 HydrophobicContact CB-CG 4.48Å; N72-K75 CarbonylContact O-C 3.57Å; N72-K75 PolarHBondContact O-N 3.48Å; N72-R76 PolarHBondContact O-N 3.46Å; N72-K334 WeakPolarHBondContact CA-O 3.33Å
73	P	95.2	Very high	92	Very high	3 Å²	3	63.4 Å²	63.4	2%	0.019	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-50.6	-38.8	-175.8	-29	33.3	0	0	0	115.2	L49 Y81 P283 E285 K334 G335	L49-P73 HydrophobicContact CD1-CB 3.85Å; L49-P73 HydrophobicContact CD1-CG 4.37Å; P73-Y81 WeakPolarHBondContact O-CD2 3.34Å; P73-P283 HydrophobicContact CB-CB 3.86Å; P73-P283 HydrophobicContact CB-CG 4.21Å; P73-E285 HydrophobicContact CB-CG 4.32Å; P73-E285 HydrophobicContact CG-CB 4.37Å; P73-E285 HydrophobicContact CG-CG 3.74Å; P73-K334 WeakPolarHBondContact CD-O 3.48Å; P73-G335 WeakPolarHBondContact CG-O 3.45Å
74	L	94.3	Very high	92.6	Very high	77 Å²	77	56.4 Å²	56.4	40%	0.403	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-78.3	-22.4	-179.6	-64.3	-177.1	0	0	0	113.5	P48 L49 N72 R278 P283	P48-L74 HydrophobicContact CB-CD1 3.48Å; P48-L74 VanDerWaalsContact CB-CD1 3.48Å; P48-L74 HydrophobicContact CB-CG 4.44Å; P48-L74 HydrophobicContact CG-CD1 3.75Å; L49-L74 HydrophobicContact CD1-CD2 4.07Å; L49-L74 HydrophobicContact CD1-CG 4.1Å; N72-L74 PolarHBondContact O-N 3.02Å; N72-L74 VanDerWaalsContact O-N 3.13Å; N72-L74 PolarHBondContact OD1-N 2.77Å; L74-R278 PolarHBondContact O-NH1 2.94Å; L74-P283 HydrophobicContact CD2-CG 4.08Å
75	K	93.8	Very high	93.2	Very high	172 Å²	172	53 Å²	53	75%	0.748	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-97.9	6.8	-179	-63.4	-170.1	176	-174.2	0	113.5	S71 N72	S71-K75 VanDerWaalsContact OG-C 3.3Å; S71-K75 PolarHBondContact OG-O 3.37Å; N72-K75 HydrophobicContact CB-CB 4.34Å; N72-K75 HydrophobicContact CB-CG 4.48Å; N72-K75 CarbonylContact O-C 3.57Å; N72-K75 PolarHBondContact O-N 3.48Å
76	R	94.9	Very high	93.8	Very high	16 Å²	16	47.8 Å²	47.8	6%	0.06	27%	0.269	C	S	.	.	S	Bend	trans	-58.3	144.7	174.3	-68.8	175.7	-179.7	141.3	8.9	109.8	S71 N72 D80 Y81 S84 R278 E285	S71-R76 PolarHBondContact OG-N 2.92Å; N72-R76 PolarHBondContact O-N 3.46Å; R76-D80 HydrophobicContact CB-CB 4.46Å; R76-Y81 HydrophobicContact CB-CD2 4.37Å; R76-S84 WeakPolarHBondContact CD-OG 3.33Å; R76-S84 PolarHBondContact NH1-OG 3.16Å; R76-R278 PolarHBondContact O-NH1 3.22Å; R76-R278 PolarHBondContact O-NH2 2.64Å; R76-E285 IonicContact CZ-OE1 3.82Å; R76-E285 IonicContact CZ-OE2 2.67Å; R76-E285 IonicContact NH1-OE1 2.95Å; R76-E285 IonicContact NH1-OE2 3.31Å; R76-E285 PolarHBondContact NH1-OE2 3.44Å; R76-E285 IonicContact NH2-OE1 2.76Å; R76-E285 PolarHBondContact NH2-OE1 3.1Å; R76-E285 IonicContact NH2-OE2 3.92Å; R76-E285 PolarHBondContact NH2-OE2 3.07Å
77	N	95.3	Very high	94.2	Very high	86 Å²	86	43.9 Å²	43.9	46%	0.46	24%	0.244	S	C	.	.			trans	-55.4	155.7	165.6	69.1	47.4	0	0	0	109.4	T79 D80 Y81	N77-T79 VanDerWaalsContact C-N 3.3Å; N77-T79 PolarHBondContact O-N 3Å; N77-T79 PolarHBondContact OD1-N 3.45Å; N77-D80 PolarHBondContact ND2-OD2 3.08Å; N77-D80 PolarHBondContact O-N 3.07Å; N77-D80 WeakPolarHBondContact OD1-CB 3.44Å; N77-D80 PolarHBondContact OD1-N 2.94Å; N77-D80 PolarHBondContact OD1-OD2 2.79Å; N77-Y81 WeakPolarHBondContact O-CB 3.44Å; N77-Y81 PolarHBondContact O-N 2.85Å
78	I	95.8	Very high	94.7	Very high	13 Å²	13	42.6 Å²	42.6	7%	0.067	24%	0.238	C	C	.	.	H	α-helix	trans	-61.2	-38.8	-170.9	-167.8	57.4	0	0	0	113.2	Y81 V82 F268 E274 L277 R278	I78-Y81 HydrophobicContact CD1-CD1 4.49Å; I78-Y81 WeakPolarHBondContact O-CB 3.32Å; I78-Y81 PolarHBondContact O-N 3.19Å; I78-V82 HydrophobicContact CD1-CG2 4.37Å; I78-V82 HydrophobicContact CG1-CG2 4.46Å; I78-V82 VanDerWaalsContact O-CG2 3.26Å; I78-V82 WeakPolarHBondContact O-CG2 3.41Å; I78-V82 PolarHBondContact O-N 3.36Å; I78-F268 HydrophobicContact CG1-CE2 4.13Å; I78-F268 HydrophobicContact CG1-CZ 4.39Å; I78-F268 HydrophobicContact CG2-CE2 3.95Å; I78-F268 HydrophobicContact CG2-CZ 3.78Å; I78-E274 VanDerWaalsContact CB-CD 3.47Å; I78-E274 HydrophobicContact CB-CG 4.1Å; I78-E274 WeakPolarHBondContact CB-OE1 3.2Å; I78-E274 HydrophobicContact CD1-CB 4.12Å; I78-E274 HydrophobicContact CD1-CG 4.24Å; I78-E274 HydrophobicContact CG1-CB 4.43Å; I78-E274 HydrophobicContact CG1-CG 4.01Å; I78-E274 HydrophobicContact CG2-CG 4.49Å; I78-E274 WeakPolarHBondContact CG2-OE1 3.21Å; I78-L277 HydrophobicContact CD1-CB 4.36Å; I78-L277 HydrophobicContact CD1-CD2 3.97Å; I78-L277 HydrophobicContact CD1-CG 4.38Å; I78-L277 HydrophobicContact CG1-CD2 3.99Å; I78-R278 HydrophobicContact CD1-CG 4.03Å
79	T	94.4	Very high	95.1	Very high	80 Å²	80	36.2 Å²	36.2	49%	0.491	20%	0.196	S	C	.	.	H	α-helix	trans	-62.5	-48.7	179.6	-50.7	0	0	0	0	111.5	N77 Y81 V82 K83	N77-T79 VanDerWaalsContact C-N 3.3Å; N77-T79 PolarHBondContact O-N 3Å; N77-T79 PolarHBondContact OD1-N 3.45Å; T79-Y81 VanDerWaalsContact C-N 3.34Å; T79-V82 PolarHBondContact O-N 2.92Å; T79-K83 HydrophobicContact CG2-CD 4.25Å; T79-K83 WeakPolarHBondContact O-CB 3.48Å; T79-K83 VanDerWaalsContact O-CG 3.24Å; T79-K83 WeakPolarHBondContact O-CG 3.28Å; T79-K83 PolarHBondContact O-N 2.91Å
80	D	94.7	Very high	95.6	Very high	64 Å²	64	36.7 Å²	36.7	34%	0.342	20%	0.196	S	C	.	.	H	α-helix	trans	-71.1	-31.5	178.6	-71.7	-31.5	0	0	0	112.2	R76 N77 S84 R133	R76-D80 HydrophobicContact CB-CB 4.46Å; N77-D80 PolarHBondContact ND2-OD2 3.08Å; N77-D80 PolarHBondContact O-N 3.07Å; N77-D80 WeakPolarHBondContact OD1-CB 3.44Å; N77-D80 PolarHBondContact OD1-N 2.94Å; N77-D80 PolarHBondContact OD1-OD2 2.79Å; D80-S84 WeakPolarHBondContact O-CB 3.34Å; D80-S84 PolarHBondContact O-N 3.01Å; D80-S84 PolarHBondContact O-OG 3.26Å; D80-R133 PolarHBondContact O-NH2 3.26Å
81	Y	97.1	Very high	96	Very high	9 Å²	9	35 Å²	35	4%	0.035	18%	0.179	C	C	.	.	H	α-helix	trans	-60.9	-52.7	173.4	-173.9	-91.8	0	0	0	110.3	P73 R76 N77 I78 T79 K83 S84 G85 R278 I281 P283	P73-Y81 WeakPolarHBondContact O-CD2 3.34Å; R76-Y81 HydrophobicContact CB-CD2 4.37Å; N77-Y81 WeakPolarHBondContact O-CB 3.44Å; N77-Y81 PolarHBondContact O-N 2.85Å; I78-Y81 HydrophobicContact CD1-CD1 4.49Å; I78-Y81 WeakPolarHBondContact O-CB 3.32Å; I78-Y81 PolarHBondContact O-N 3.19Å; T79-Y81 VanDerWaalsContact C-N 3.34Å; Y81-K83 PolarHBondContact O-N 2.88Å; Y81-S84 CarbonylContact O-C 3.57Å; Y81-S84 PolarHBondContact O-N 3.11Å; Y81-S84 PolarHBondContact O-OG 2.85Å; Y81-G85 WeakPolarHBondContact O-CA 3.27Å; Y81-G85 PolarHBondContact O-N 3.35Å; Y81-R278 HydrophobicContact CD1-CG 4.39Å; Y81-R278 HydrophobicContact CE1-CB 4.42Å; Y81-R278 HydrophobicContact CE1-CG 4.16Å; Y81-R278 PolarHBondContact OH-O 2.96Å; Y81-I281 HydrophobicContact CD1-CG2 4.25Å; Y81-I281 HydrophobicContact CE1-CB 4.01Å; Y81-I281 HydrophobicContact CE1-CG2 3.93Å; Y81-I281 WeakPolarHBondContact CE1-O 3.28Å; Y81-I281 VanDerWaalsContact CZ-O 3.32Å; Y81-I281 PolarHBondContact OH-O 2.86Å; Y81-P283 HydrophobicContact CE2-CB 4.38Å; Y81-P283 HydrophobicContact CE2-CG 4.47Å; Y81-P283 WeakPolarHBondContact OH-CD 3.37Å
82	V	97.1	Very high	96.3	Very high	14 Å²	14	35.9 Å²	35.9	9%	0.085	18%	0.184	C	C	.	.	H	α-helix	trans	-60.2	-47.4	175.5	175.2	0	0	0	0	110.8	I78 T79 S84 G85 V110 I131 L277 I281	I78-V82 HydrophobicContact CD1-CG2 4.37Å; I78-V82 HydrophobicContact CG1-CG2 4.46Å; I78-V82 VanDerWaalsContact O-CG2 3.26Å; I78-V82 WeakPolarHBondContact O-CG2 3.41Å; I78-V82 PolarHBondContact O-N 3.36Å; T79-V82 PolarHBondContact O-N 2.92Å; V82-S84 PolarHBondContact O-N 2.91Å; V82-S84 VanDerWaalsContact O-N 3.16Å; V82-G85 WeakPolarHBondContact O-CA 3.49Å; V82-G85 PolarHBondContact O-N 2.9Å; V82-V110 HydrophobicContact CG1-CG1 3.93Å; V82-I131 HydrophobicContact CG1-CG2 4.23Å; V82-I131 WeakPolarHBondContact O-CB 3.22Å; V82-I131 VanDerWaalsContact O-CG2 3.28Å; V82-I131 WeakPolarHBondContact O-CG2 3.47Å; V82-L277 HydrophobicContact CG2-CD2 3.81Å; V82-L277 HydrophobicContact CG2-CG 4.26Å; V82-I281 HydrophobicContact CB-CD1 4.38Å; V82-I281 HydrophobicContact CG1-CD1 4.15Å; V82-I281 HydrophobicContact CG2-CD1 3.82Å
83	K	96.3	Very high	96.4	Very high	84 Å²	84	36 Å²	36	37%	0.365	19%	0.191	S	C	.	.	H	α-helix	trans	-63.5	-20.1	178.7	-73.9	-179.7	175.4	-176.1	0	114.2	T79 Y81 D132 R133	T79-K83 HydrophobicContact CG2-CD 4.25Å; T79-K83 WeakPolarHBondContact O-CB 3.48Å; T79-K83 VanDerWaalsContact O-CG 3.24Å; T79-K83 WeakPolarHBondContact O-CG 3.28Å; T79-K83 PolarHBondContact O-N 2.91Å; Y81-K83 PolarHBondContact O-N 2.88Å; K83-D132 HydrophobicContact CB-CB 4.29Å; K83-D132 HydrophobicContact CG-CB 4.44Å; K83-D132 WeakPolarHBondContact CG-OD2 3.24Å; K83-D132 WeakPolarHBondContact O-CB 3.21Å; K83-R133 VanDerWaalsContact O-CB 3.25Å; K83-R133 WeakPolarHBondContact O-CB 3.5Å; K83-R133 WeakPolarHBondContact O-CG 3.31Å; K83-R133 PolarHBondContact O-N 2.9Å
84	S	96.6	Very high	96.5	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.007	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	21.8	172.9	54.6	0	0	0	0	112.6	R76 D80 Y81 V82 R133 L284	R76-S84 WeakPolarHBondContact CD-OG 3.33Å; R76-S84 PolarHBondContact NH1-OG 3.16Å; D80-S84 WeakPolarHBondContact O-CB 3.34Å; D80-S84 PolarHBondContact O-N 3.01Å; D80-S84 PolarHBondContact O-OG 3.26Å; Y81-S84 CarbonylContact O-C 3.57Å; Y81-S84 PolarHBondContact O-N 3.11Å; Y81-S84 PolarHBondContact O-OG 2.85Å; V82-S84 PolarHBondContact O-N 2.91Å; V82-S84 VanDerWaalsContact O-N 3.16Å; S84-R133 VanDerWaalsContact CB-NH2 3.28Å; S84-R133 PolarHBondContact OG-NH2 2.84Å; S84-L284 VanDerWaalsContact O-CB 3.31Å; S84-L284 WeakPolarHBondContact O-CB 3.48Å; S84-L284 WeakPolarHBondContact O-CG 3.1Å; S84-L284 PolarHBondContact O-N 3.07Å
85	G	97.3	Very high	96.6	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	163.8	-172.6	0	0	0	0	0	113.7	Y81 V82 I131 A134 F282	Y81-G85 WeakPolarHBondContact O-CA 3.27Å; Y81-G85 PolarHBondContact O-N 3.35Å; V82-G85 WeakPolarHBondContact O-CA 3.49Å; V82-G85 PolarHBondContact O-N 2.9Å; G85-I131 WeakPolarHBondContact O-CB 3.21Å; G85-I131 PolarHBondContact O-N 3.44Å; G85-A134 WeakPolarHBondContact O-CB 3.46Å; G85-F282 CarbonylContact C-O 3.6Å; G85-F282 WeakPolarHBondContact CA-O 3.49Å
86	F	97.8	Very high	96.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	163.3	160.1	73.7	-88.1	0	0	0	109.6	I128 V129 L249 F282 P283 K286 L287	F86-I128 HydrophobicContact CB-CG2 4.23Å; F86-I128 HydrophobicContact CD2-CG2 3.66Å; F86-I128 HydrophobicContact CE2-CG2 4.41Å; F86-I128 HydrophobicContact CG-CG2 4.14Å; F86-V129 CarbonylContact C-O 3.59Å; F86-V129 WeakPolarHBondContact CA-O 3.22Å; F86-V129 WeakPolarHBondContact CB-O 3.31Å; F86-L249 HydrophobicContact CD2-CD1 4.16Å; F86-L249 HydrophobicContact CE2-CD1 3.21Å; F86-L249 HydrophobicContact CZ-CD1 3.66Å; F86-F282 HydrophobicContact CD1-CB 4.16Å; F86-F282 WeakPolarHBondContact CD1-O 3.43Å; F86-F282 HydrophobicContact CE1-CB 3.55Å; F86-F282 HydrophobicContact CE2-CB 3.92Å; F86-F282 HydrophobicContact CE2-CD2 4.14Å; F86-F282 HydrophobicContact CE2-CG 4.46Å; F86-F282 HydrophobicContact CZ-CB 3.42Å; F86-F282 VanDerWaalsContact CZ-CB 3.42Å; F86-F282 HydrophobicContact CZ-CD2 4.24Å; F86-F282 HydrophobicContact CZ-CG 4.15Å; F86-F282 PolarHBondContact N-O 3.12Å; F86-F282 PolarHBondContact O-N 2.93Å; F86-P283 VanDerWaalsContact CE1-O 3.27Å; F86-P283 WeakPolarHBondContact CE1-O 3.12Å; F86-K286 HydrophobicContact CE1-CB 3.86Å; F86-K286 HydrophobicContact CZ-CB 3.9Å; F86-K286 HydrophobicContact CZ-CD 4.18Å; F86-K286 HydrophobicContact CZ-CG 4.26Å; F86-L287 HydrophobicContact CB-CD1 4.47Å; F86-L287 HydrophobicContact CD1-CD1 3.8Å; F86-L287 HydrophobicContact CD1-CD2 4.2Å; F86-L287 HydrophobicContact CD1-CG 3.72Å; F86-L287 HydrophobicContact CD2-CD2 4.15Å; F86-L287 HydrophobicContact CE1-CD1 4.15Å; F86-L287 HydrophobicContact CE1-CD2 3.85Å; F86-L287 HydrophobicContact CE1-CG 3.53Å; F86-L287 HydrophobicContact CE2-CD2 3.88Å; F86-L287 HydrophobicContact CE2-CG 4.43Å; F86-L287 HydrophobicContact CG-CD1 4.02Å; F86-L287 HydrophobicContact CG-CD2 4.3Å; F86-L287 HydrophobicContact CG-CG 4.19Å; F86-L287 HydrophobicContact CZ-CD2 3.67Å; F86-L287 HydrophobicContact CZ-CG 3.9Å
87	I	98.3	Very high	96.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	133.7	178.5	-61.2	171.5	0	0	0	108.5	L89 I104 L108 I128 V129 I131 V256 V261 V280 I281	I87-L89 HydrophobicContact CG2-CB 4.18Å; I87-L89 HydrophobicContact CG2-CD1 4.15Å; I87-L89 PolarHBondContact O-N 3.17Å; I87-I104 HydrophobicContact CD1-CG2 4.12Å; I87-L108 HydrophobicContact CD1-CD1 3.98Å; I87-I128 CarbonylContact O-C 3.55Å; I87-I128 VanDerWaalsContact O-CA 3.31Å; I87-I128 WeakPolarHBondContact O-CA 3.46Å; I87-V129 HydrophobicContact CB-CB 4.46Å; I87-V129 PolarHBondContact N-O 2.83Å; I87-V129 PolarHBondContact O-N 2.92Å; I87-I131 HydrophobicContact CD1-CD1 4.1Å; I87-I131 HydrophobicContact CG1-CD1 4.18Å; I87-V256 HydrophobicContact CG2-CG2 3.42Å; I87-V256 VanDerWaalsContact CG2-CG2 3.42Å; I87-V261 HydrophobicContact CD1-CG1 4.16Å; I87-V261 HydrophobicContact CD1-CG2 4.06Å; I87-V261 HydrophobicContact CG2-CG2 4.34Å; I87-V280 HydrophobicContact CD1-CG1 4.3Å; I87-V280 HydrophobicContact CG1-CG1 4.4Å; I87-V280 HydrophobicContact CG2-CG1 4.38Å; I87-I281 HydrophobicContact CD1-CG1 4.1Å; I87-I281 HydrophobicContact CG1-CG1 3.84Å
88	N	97.9	Very high	96.9	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	90.1	166.9	-172.2	22.6	0	0	0	108.3	L249 G250 D253 L255 V256	N88-L249 HydrophobicContact CB-CD1 4.32Å; N88-G250 PolarHBondContact ND2-O 3.38Å; N88-D253 PolarHBondContact ND2-O 2.64Å; N88-D253 VanDerWaalsContact ND2-O 3.12Å; N88-L255 WeakPolarHBondContact O-CA 3.37Å; N88-V256 WeakPolarHBondContact O-CG2 3.43Å; N88-V256 PolarHBondContact O-N 2.87Å
89	L	98.2	Very high	97	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	135	-169.3	-168.2	82	0	0	0	111.7	I87 K91 V100 I104 G125 C126 L127 V129 V256 M258 V261	I87-L89 HydrophobicContact CG2-CB 4.18Å; I87-L89 HydrophobicContact CG2-CD1 4.15Å; I87-L89 PolarHBondContact O-N 3.17Å; L89-K91 PolarHBondContact O-N 3.23Å; L89-V100 HydrophobicContact CD2-CG1 3.34Å; L89-I104 HydrophobicContact CD1-CD1 4.02Å; L89-I104 HydrophobicContact CD2-CD1 3.65Å; L89-I104 HydrophobicContact CG-CD1 4.38Å; L89-G125 VanDerWaalsContact O-O 3.11Å; L89-C126 CarbonylContact O-C 3.58Å; L89-C126 WeakPolarHBondContact O-CA 3.38Å; L89-L127 HydrophobicContact CB-CB 4.49Å; L89-L127 VanDerWaalsContact CB-O 3.26Å; L89-L127 WeakPolarHBondContact CB-O 2.99Å; L89-L127 HydrophobicContact CD2-CD2 4.48Å; L89-L127 PolarHBondContact N-O 2.9Å; L89-L127 PolarHBondContact O-N 2.67Å; L89-V129 HydrophobicContact CB-CG2 4.27Å; L89-V129 HydrophobicContact CD2-CG2 4.3Å; L89-V256 CarbonylContact C-O 3.59Å; L89-V256 WeakPolarHBondContact CA-O 3.43Å; L89-M258 HydrophobicContact CD1-CG 4.29Å; L89-M258 HydrophobicContact CD1-SD 3.95Å; L89-M258 HydrophobicContact CD2-CG 4.37Å; L89-M258 HydrophobicContact CD2-SD 3.89Å; L89-V261 HydrophobicContact CD1-CG2 4.05Å
90	D	98.3	Very high	97.2	Very high	40 Å²	40	33.1 Å²	33.1	21%	0.214	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	99.2	159.6	-155.3	-22.7	0	0	0	108.7	P92 G125 R242 L255 V256	D90-P92 WeakPolarHBondContact O-CD 3.27Å; D90-G125 WeakPolarHBondContact OD1-CA 3.34Å; D90-G125 PolarHBondContact OD1-N 3.39Å; D90-R242 IonicContact OD1-CZ 3.83Å; D90-R242 IonicContact OD1-NH1 2.94Å; D90-R242 PolarHBondContact OD1-NH1 3.37Å; D90-R242 IonicContact OD1-NH2 3.82Å; D90-R242 IonicContact OD2-CZ 3.44Å; D90-R242 IonicContact OD2-NH1 3.08Å; D90-R242 PolarHBondContact OD2-NH1 3.01Å; D90-R242 VanDerWaalsContact OD2-NH1 3.08Å; D90-R242 IonicContact OD2-NH2 2.85Å; D90-R242 PolarHBondContact OD2-NH2 3.07Å; D90-L255 HydrophobicContact CB-CD1 4.31Å; D90-L255 HydrophobicContact CB-CD2 3.63Å; D90-L255 HydrophobicContact CB-CG 3.77Å; D90-L255 VanDerWaalsContact OD2-CD2 3.31Å; D90-L255 WeakPolarHBondContact OD2-CD2 3.39Å; D90-V256 PolarHBondContact N-O 2.87Å
91	K	98.1	Very high	97.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	126.8	178.5	-176.6	-164.3	160.1	-71.2	0	108.8	L89 P95 V100 L119 P121 V123 T124 G125 L127	L89-K91 PolarHBondContact O-N 3.23Å; K91-P95 WeakPolarHBondContact CE-O 3.47Å; K91-P95 PolarHBondContact NZ-O 3.1Å; K91-V100 HydrophobicContact CG-CG2 4.23Å; K91-L119 HydrophobicContact CB-CD1 4.11Å; K91-L119 HydrophobicContact CD-CB 3.71Å; K91-L119 HydrophobicContact CD-CD1 3.78Å; K91-L119 HydrophobicContact CD-CG 4.36Å; K91-P121 PolarHBondContact NZ-O 2.83Å; K91-V123 PolarHBondContact NZ-O 3.14Å; K91-T124 VanDerWaalsContact O-CA 3.22Å; K91-T124 WeakPolarHBondContact O-CA 3.46Å; K91-T124 WeakPolarHBondContact O-CB 3.49Å; K91-G125 PolarHBondContact N-O 2.84Å; K91-G125 PolarHBondContact O-N 3.31Å; K91-L127 HydrophobicContact CB-CB 4.1Å; K91-L127 HydrophobicContact CB-CD2 4.29Å; K91-L127 HydrophobicContact CD-CD2 4.32Å; K91-L127 HydrophobicContact CG-CD2 4.3Å
92	P	97.6	Very high	97.3	Very high	54 Å²	54	32.6 Å²	32.6	35%	0.351	18%	0.184	S	C	.	.	P	Polyproline II helix	trans	-70.2	158.4	173.8	29.7	-34.6	0	0	0	111.6	D90 P95	D90-P92 WeakPolarHBondContact O-CD 3.27Å; P92-P95 HydrophobicContact CG-CG 3.85Å
93	A	96.6	Very high	97.4	Very high	43 Å²	43	37.3 Å²	37.3	36%	0.355	20%	0.2	S	C	.	.	S	Bend	trans	-70.4	147.3	170.5	0	0	0	0	0	110	P95 T124	A93-P95 WeakPolarHBondContact O-CD 3.33Å; A93-T124 HydrophobicContact CB-CG2 3.71Å
94	N	96.3	Very high	97.5	Very high	124 Å²	124	33.3 Å²	33.3	66%	0.663	18%	0.183	S	C	*	.	S	Bend	trans	96.6	-59	177.9	-52.1	-47.6	0	0	0	117.1	P121	N94-P121 CarbonylContact C-O 3.52Å; N94-P121 WeakPolarHBondContact CA-O 3.31Å; N94-P121 PolarHBondContact N-O 3.23Å; N94-P121 VanDerWaalsContact O-CB 3.27Å; N94-P121 WeakPolarHBondContact O-CB 3.47Å
95	P	97.1	Very high	97.6	Very high	18 Å²	18	39.4 Å²	39.4	12%	0.117	21%	0.205	C	C	.	.	S	Bend	trans	-69.4	147.1	-178.7	29.6	-33	0	0	0	110.4	K91 P92 A93 E99 V100 W103	K91-P95 WeakPolarHBondContact CE-O 3.47Å; K91-P95 PolarHBondContact NZ-O 3.1Å; P92-P95 HydrophobicContact CG-CG 3.85Å; A93-P95 WeakPolarHBondContact O-CD 3.33Å; P95-E99 HydrophobicContact CB-CB 4.48Å; P95-V100 HydrophobicContact CB-CG2 3.89Å; P95-V100 HydrophobicContact CG-CG2 3.63Å; P95-W103 HydrophobicContact CB-CH2 3.76Å; P95-W103 HydrophobicContact CB-CZ3 3.78Å; P95-W103 HydrophobicContact CG-CH2 4.37Å; P95-W103 HydrophobicContact CG-CZ3 4Å
96	S	96.6	Very high	97.6	Very high	30 Å²	30	48.7 Å²	48.7	21%	0.21	24%	0.241	C	C	.	.			trans	-65.7	156.1	172.3	73.1	0	0	0	0	110.5	H98 E99 V100	S96-H98 PolarHBondContact O-N 3.24Å; S96-E99 WeakPolarHBondContact CA-OE2 3.41Å; S96-E99 WeakPolarHBondContact CB-OE2 3.41Å; S96-E99 PolarHBondContact N-OE2 3.05Å; S96-E99 PolarHBondContact O-N 3.5Å; S96-E99 WeakPolarHBondContact OG-CG 3.1Å; S96-E99 PolarHBondContact OG-N 3.21Å; S96-E99 PolarHBondContact OG-OE2 3.45Å; S96-V100 WeakPolarHBondContact O-CG2 3.4Å; S96-V100 PolarHBondContact O-N 2.87Å; S96-V100 VanDerWaalsContact O-N 3.15Å
97	S	96.7	Very high	97.6	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-58.7	-30.8	176.1	-60.3	0	0	0	0	112.6	V101 L119	S97-V101 WeakPolarHBondContact O-CB 3.41Å; S97-V101 WeakPolarHBondContact O-CG2 3.4Å; S97-V101 PolarHBondContact O-N 2.89Å; S97-V101 VanDerWaalsContact O-N 3.15Å; S97-L119 PolarHBondContact OG-N 3.36Å; S97-L119 PolarHBondContact OG-O 3.28Å
98	H	96.4	Very high	97.5	Very high	119 Å²	119	50.7 Å²	50.7	55%	0.551	25%	0.251	S	S	*	.	H	α-helix	trans	-72.1	-40.6	179.5	-69.6	88.5	0	0	0	112	S96 V101 A102 H115	S96-H98 PolarHBondContact O-N 3.24Å; H98-V101 PolarHBondContact O-N 3.24Å; H98-A102 WeakPolarHBondContact O-CB 3.25Å; H98-A102 PolarHBondContact O-N 2.9Å; H98-H115 AromaticContact NE2-NE2 3.89Å
99	E	97.4	Very high	97.5	Very high	96 Å²	96	57.9 Å²	57.9	45%	0.449	28%	0.278	S	S	.	.	H	α-helix	trans	-63.1	-46.1	175.6	-72.2	162	122.6	0	0	111.3	P95 S96 V101 A102 W103	P95-E99 HydrophobicContact CB-CB 4.48Å; S96-E99 WeakPolarHBondContact CA-OE2 3.41Å; S96-E99 WeakPolarHBondContact CB-OE2 3.41Å; S96-E99 PolarHBondContact N-OE2 3.05Å; S96-E99 PolarHBondContact O-N 3.5Å; S96-E99 WeakPolarHBondContact OG-CG 3.1Å; S96-E99 PolarHBondContact OG-N 3.21Å; S96-E99 PolarHBondContact OG-OE2 3.45Å; E99-V101 VanDerWaalsContact C-N 3.33Å; E99-V101 PolarHBondContact O-N 3.22Å; E99-A102 WeakPolarHBondContact O-CB 3.38Å; E99-A102 PolarHBondContact O-N 3.34Å; E99-A102 VanDerWaalsContact O-N 3.13Å; E99-W103 HydrophobicContact CB-CZ2 4.44Å; E99-W103 PolarHBondContact O-N 3.17Å
100	V	97.9	Very high	97.5	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-57.1	-46.9	177	172.9	0	0	0	0	111.3	L89 K91 P95 S96 A102 W103 I104 L127 M258	L89-V100 HydrophobicContact CD2-CG1 3.34Å; K91-V100 HydrophobicContact CG-CG2 4.23Å; P95-V100 HydrophobicContact CB-CG2 3.89Å; P95-V100 HydrophobicContact CG-CG2 3.63Å; S96-V100 WeakPolarHBondContact O-CG2 3.4Å; S96-V100 PolarHBondContact O-N 2.87Å; S96-V100 VanDerWaalsContact O-N 3.15Å; V100-A102 VanDerWaalsContact C-N 3.31Å; V100-A102 PolarHBondContact O-N 3.43Å; V100-W103 HydrophobicContact CG2-CE3 4.49Å; V100-W103 HydrophobicContact CG2-CZ3 4.46Å; V100-W103 PolarHBondContact O-N 2.67Å; V100-I104 HydrophobicContact CG1-CD1 4.28Å; V100-I104 WeakPolarHBondContact O-CG1 3.45Å; V100-I104 PolarHBondContact O-N 3.21Å; V100-L127 HydrophobicContact CG1-CD2 4.41Å; V100-M258 HydrophobicContact CG1-CG 4.46Å; V100-M258 HydrophobicContact CG1-SD 3.77Å
101	V	97.4	Very high	97.4	Very high	9 Å²	9	63.2 Å²	63.2	6%	0.055	30%	0.303	C	S	.	.	H	α-helix	trans	-67.6	-32	179.5	171.4	0	0	0	0	112.1	S97 H98 E99 R105 T113 H115 L127 V129	S97-V101 WeakPolarHBondContact O-CB 3.41Å; S97-V101 WeakPolarHBondContact O-CG2 3.4Å; S97-V101 PolarHBondContact O-N 2.89Å; S97-V101 VanDerWaalsContact O-N 3.15Å; H98-V101 PolarHBondContact O-N 3.24Å; E99-V101 VanDerWaalsContact C-N 3.33Å; E99-V101 PolarHBondContact O-N 3.22Å; V101-R105 PolarHBondContact O-N 3.27Å; V101-R105 VanDerWaalsContact O-N 3.07Å; V101-T113 WeakPolarHBondContact CG1-OG1 3.12Å; V101-T113 PolarHBondContact O-OG1 3.31Å; V101-T113 VanDerWaalsContact O-OG1 3.12Å; V101-H115 HydrophobicContact CG2-CB 3.85Å; V101-L127 HydrophobicContact CG2-CD2 4.32Å; V101-V129 HydrophobicContact CG1-CG1 4.34Å; V101-V129 HydrophobicContact CG2-CG1 4.19Å; V101-V129 HydrophobicContact CG2-CG2 4Å
102	A	98.1	Very high	97.3	Very high	53 Å²	53	69.2 Å²	69.2	44%	0.438	33%	0.329	S	S	.	.	H	α-helix	trans	-69.7	-38.1	173.4	0	0	0	0	0	112.2	H98 E99 V100 R105 R106	H98-A102 WeakPolarHBondContact O-CB 3.25Å; H98-A102 PolarHBondContact O-N 2.9Å; E99-A102 WeakPolarHBondContact O-CB 3.38Å; E99-A102 PolarHBondContact O-N 3.34Å; E99-A102 VanDerWaalsContact O-N 3.13Å; V100-A102 VanDerWaalsContact C-N 3.31Å; V100-A102 PolarHBondContact O-N 3.43Å; A102-R105 WeakPolarHBondContact O-CB 3.3Å; A102-R105 PolarHBondContact O-N 2.93Å; A102-R106 PolarHBondContact O-N 3.08Å; A102-R106 VanDerWaalsContact O-N 3.08Å
103	W	98.4	Very high	97.4	Very high	113 Å²	113	68.1 Å²	68.1	43%	0.428	32%	0.321	S	S	.	.	H	α-helix	trans	-65.1	-44.6	173.2	-63.9	-25.3	0	0	0	111.8	P95 E99 V100 R105 R106 I107 M258	P95-W103 HydrophobicContact CB-CH2 3.76Å; P95-W103 HydrophobicContact CB-CZ3 3.78Å; P95-W103 HydrophobicContact CG-CH2 4.37Å; P95-W103 HydrophobicContact CG-CZ3 4Å; E99-W103 HydrophobicContact CB-CZ2 4.44Å; E99-W103 PolarHBondContact O-N 3.17Å; V100-W103 HydrophobicContact CG2-CE3 4.49Å; V100-W103 HydrophobicContact CG2-CZ3 4.46Å; V100-W103 PolarHBondContact O-N 2.67Å; W103-R105 VanDerWaalsContact C-N 3.29Å; W103-R105 PolarHBondContact O-N 3.14Å; W103-R106 WeakPolarHBondContact O-CB 3.34Å; W103-R106 PolarHBondContact O-N 3.37Å; W103-R106 VanDerWaalsContact O-N 3.07Å; W103-I107 VanDerWaalsContact O-CG1 3.3Å; W103-I107 WeakPolarHBondContact O-CG1 3.31Å; W103-I107 PolarHBondContact O-N 2.68Å; W103-M258 HydrophobicContact CB-CE 3.78Å; W103-M258 HydrophobicContact CE3-CE 4.31Å
104	I	98	Very high	97.4	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-58.5	-43.3	175.1	-69.4	169.7	0	0	0	111.2	I87 L89 V100 R106 I107 L108 V129 M258	I87-I104 HydrophobicContact CD1-CG2 4.12Å; L89-I104 HydrophobicContact CD1-CD1 4.02Å; L89-I104 HydrophobicContact CD2-CD1 3.65Å; L89-I104 HydrophobicContact CG-CD1 4.38Å; V100-I104 HydrophobicContact CG1-CD1 4.28Å; V100-I104 WeakPolarHBondContact O-CG1 3.45Å; V100-I104 PolarHBondContact O-N 3.21Å; I104-R106 VanDerWaalsContact C-N 3.28Å; I104-R106 PolarHBondContact O-N 3.35Å; I104-I107 PolarHBondContact O-N 2.93Å; I104-L108 HydrophobicContact CG2-CD1 3.78Å; I104-L108 HydrophobicContact CG2-CG 4.31Å; I104-L108 PolarHBondContact O-N 3.01Å; I104-V129 HydrophobicContact CD1-CB 4.2Å; I104-V129 HydrophobicContact CD1-CG1 4.05Å; I104-V129 HydrophobicContact CD1-CG2 3.82Å; I104-V129 HydrophobicContact CG2-CG1 4.2Å; I104-M258 HydrophobicContact CD1-SD 3.7Å; I104-M258 HydrophobicContact CG1-CE 3.84Å; I104-M258 HydrophobicContact CG1-SD 3.49Å; I104-M258 WeakPolarHBondContact CG1-SD 3.23Å
105	R	98.1	Very high	97.4	Very high	128 Å²	128	61.3 Å²	61.3	48%	0.483	28%	0.282	S	S	.	.	H	α-helix	trans	-57.2	-43.1	175.7	-174.3	-176	170.9	-153.1	-1	111.8	V101 A102 W103 R109 V110 E111 T113	V101-R105 PolarHBondContact O-N 3.27Å; V101-R105 VanDerWaalsContact O-N 3.07Å; A102-R105 WeakPolarHBondContact O-CB 3.3Å; A102-R105 PolarHBondContact O-N 2.93Å; W103-R105 VanDerWaalsContact C-N 3.29Å; W103-R105 PolarHBondContact O-N 3.14Å; R105-R109 WeakPolarHBondContact O-CA 3.48Å; R105-R109 PolarHBondContact O-N 3.01Å; R105-V110 HydrophobicContact CB-CG2 4.46Å; R105-V110 HydrophobicContact CG-CG2 4.12Å; R105-V110 VanDerWaalsContact CG-O 3.24Å; R105-V110 WeakPolarHBondContact CG-O 3.48Å; R105-V110 PolarHBondContact NE-O 2.99Å; R105-V110 PolarHBondContact O-N 3.34Å; R105-E111 PolarHBondContact NE-O 2.68Å; R105-E111 PolarHBondContact NH2-O 2.78Å; R105-T113 HydrophobicContact CB-CG2 3.79Å; R105-T113 HydrophobicContact CG-CG2 4.21Å
106	R	98.2	Very high	97.2	Very high	196 Å²	196	60.5 Å²	60.5	74%	0.74	28%	0.276	S	S	*	.	H	α-helix	trans	-68.8	-44.2	178.9	-179.5	175.6	-77.9	157.2	-4.9	111.9	A102 W103 I104 R109	A102-R106 PolarHBondContact O-N 3.08Å; A102-R106 VanDerWaalsContact O-N 3.08Å; W103-R106 WeakPolarHBondContact O-CB 3.34Å; W103-R106 PolarHBondContact O-N 3.37Å; W103-R106 VanDerWaalsContact O-N 3.07Å; I104-R106 VanDerWaalsContact C-N 3.28Å; I104-R106 PolarHBondContact O-N 3.35Å; R106-R109 PolarHBondContact O-N 3.14Å
107	I	97.6	Very high	97	Very high	32 Å²	32	59.7 Å²	59.7	16%	0.164	27%	0.273	C	S	.	.	H	α-helix	trans	-59.1	-55.1	178.3	-68.4	165.2	0	0	0	109.7	W103 I104 R109 M258 V261 L262 Q265	W103-I107 VanDerWaalsContact O-CG1 3.3Å; W103-I107 WeakPolarHBondContact O-CG1 3.31Å; W103-I107 PolarHBondContact O-N 2.68Å; I104-I107 PolarHBondContact O-N 2.93Å; I107-R109 VanDerWaalsContact C-N 3.25Å; I107-R109 PolarHBondContact O-N 3.33Å; I107-M258 HydrophobicContact CD1-CE 3.9Å; I107-V261 HydrophobicContact CG2-CG1 4.16Å; I107-L262 HydrophobicContact CD1-CB 4.42Å; I107-L262 HydrophobicContact CD1-CD1 4.39Å; I107-L262 HydrophobicContact CG1-CD1 4.16Å; I107-L262 HydrophobicContact CG2-CD1 4.18Å; I107-Q265 HydrophobicContact CG2-CB 3.91Å; I107-Q265 HydrophobicContact CG2-CG 4.31Å; I107-Q265 WeakPolarHBondContact O-CG 3.41Å
108	L	97.3	Very high	96.9	Very high	10 Å²	10	63.2 Å²	63.2	5%	0.052	29%	0.294	C	S	.	.	H	α-helix	trans	-77	-9.6	-176.1	-60.1	179.1	0	0	0	114	I87 I104 V110 I131 V261 Q265 L277 I281	I87-L108 HydrophobicContact CD1-CD1 3.98Å; I104-L108 HydrophobicContact CG2-CD1 3.78Å; I104-L108 HydrophobicContact CG2-CG 4.31Å; I104-L108 PolarHBondContact O-N 3.01Å; L108-V110 VanDerWaalsContact C-N 3.3Å; L108-V110 HydrophobicContact CB-CG1 3.86Å; L108-V110 HydrophobicContact CB-CG2 4.15Å; L108-V110 PolarHBondContact O-N 3.39Å; L108-I131 HydrophobicContact CD1-CD1 3.61Å; L108-I131 HydrophobicContact CD1-CG1 4.27Å; L108-V261 HydrophobicContact CD2-CG1 3.97Å; L108-V261 HydrophobicContact CG-CG1 4.22Å; L108-Q265 HydrophobicContact CD2-CB 4.44Å; L108-Q265 VanDerWaalsContact CD2-OE1 3.29Å; L108-L277 HydrophobicContact CD2-CD1 4.11Å; L108-I281 HydrophobicContact CD1-CD1 4.32Å; L108-I281 HydrophobicContact CD2-CD1 4.5Å
109	R	97.4	Very high	96.8	Very high	150 Å²	150	57.7 Å²	57.7	57%	0.566	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	44.9	-177	-58.6	166.7	-67.5	-114.8	4.3	112.8	R105 R106 I107 D269	R105-R109 WeakPolarHBondContact O-CA 3.48Å; R105-R109 PolarHBondContact O-N 3.01Å; R106-R109 PolarHBondContact O-N 3.14Å; I107-R109 VanDerWaalsContact C-N 3.25Å; I107-R109 PolarHBondContact O-N 3.33Å; R109-D269 IonicContact CZ-OD1 2.67Å; R109-D269 IonicContact CZ-OD2 3.99Å; R109-D269 VanDerWaalsContact CZ-OD2 3.25Å; R109-D269 IonicContact NH1-OD1 2.76Å; R109-D269 IonicContact NH1-OD2 3.46Å; R109-D269 PolarHBondContact NH1-OD2 2.89Å; R109-D269 IonicContact NH2-OD1 2.71Å; R109-D269 PolarHBondContact NH2-OD1 3.41Å; R109-D269 IonicContact NH2-OD2 3.51Å; R109-D269 PolarHBondContact NH2-OD2 2.95Å
110	V	97.2	Very high	96.5	Very high	18 Å²	18	55.4 Å²	55.4	11%	0.109	26%	0.26	C	S	.	.			trans	-102	159	-178.4	-66.2	0	0	0	0	111.7	V82 R105 L108 T113 I131	V82-V110 HydrophobicContact CG1-CG1 3.93Å; R105-V110 HydrophobicContact CB-CG2 4.46Å; R105-V110 HydrophobicContact CG-CG2 4.12Å; R105-V110 VanDerWaalsContact CG-O 3.24Å; R105-V110 WeakPolarHBondContact CG-O 3.48Å; R105-V110 PolarHBondContact NE-O 2.99Å; R105-V110 PolarHBondContact O-N 3.34Å; L108-V110 VanDerWaalsContact C-N 3.3Å; L108-V110 HydrophobicContact CB-CG1 3.86Å; L108-V110 HydrophobicContact CB-CG2 4.15Å; L108-V110 PolarHBondContact O-N 3.39Å; V110-T113 HydrophobicContact CG2-CG2 3.73Å; V110-I131 HydrophobicContact CB-CG2 3.96Å; V110-I131 HydrophobicContact CG1-CG2 3.73Å; V110-I131 HydrophobicContact CG2-CG2 3.98Å
111	E	96.5	Very high	96.4	Very high	134 Å²	134	58.5 Å²	58.5	63%	0.626	28%	0.28	S	S	*	.	S	Bend	trans	-74.1	-43.9	-173.7	-66.8	-176.1	-175.4	0	0	112	R105 D132	R105-E111 PolarHBondContact NE-O 2.68Å; R105-E111 PolarHBondContact NH2-O 2.78Å; E111-D132 PolarHBondContact N-OD1 3.49Å; E111-D132 VanDerWaalsContact N-OD1 3.1Å
112	K	97.3	Very high	96.2	Very high	127 Å²	127	66.2 Å²	66.2	55%	0.552	31%	0.313	S	S	*	.			trans	-138.6	139.2	-171.2	-64.9	175.8	-174.8	167	0	111.2	D132 T135	K112-D132 PolarHBondContact N-OD1 3.13Å; K112-D132 PolarHBondContact O-N 3.25Å; K112-T135 HydrophobicContact CB-CG2 4.22Å
113	T	97.9	Very high	96.2	Very high	31 Å²	31	63.9 Å²	63.9	19%	0.19	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	154.3	169.9	53.6	0	0	0	0	110	V101 R105 V110 C130	V101-T113 WeakPolarHBondContact CG1-OG1 3.12Å; V101-T113 PolarHBondContact O-OG1 3.31Å; V101-T113 VanDerWaalsContact O-OG1 3.12Å; R105-T113 HydrophobicContact CB-CG2 3.79Å; R105-T113 HydrophobicContact CG-CG2 4.21Å; V110-T113 HydrophobicContact CG2-CG2 3.73Å; T113-C130 CarbonylContact C-O 3.5Å; T113-C130 VanDerWaalsContact CA-O 3.26Å; T113-C130 WeakPolarHBondContact CA-O 3.43Å
114	G	96.9	Very high	96.2	Very high	13 Å²	13	60.1 Å²	60.1	13%	0.134	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	167.4	175.4	0	0	0	0	0	110.9	V129 C130	G114-V129 CarbonylContact O-C 3.57Å; G114-V129 WeakPolarHBondContact O-CA 3.42Å; G114-C130 PolarHBondContact N-O 3.12Å; G114-C130 PolarHBondContact O-N 2.89Å
115	H	96.8	Very high	96.1	Very high	11 Å²	11	60.1 Å²	60.1	5%	0.051	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	156.7	-171.2	66	86.9	0	0	0	115.5	H98 V101 G117 T118 L127 I128 V138 Q142	H98-H115 AromaticContact NE2-NE2 3.89Å; V101-H115 HydrophobicContact CG2-CB 3.85Å; H115-G117 VanDerWaalsContact ND1-C 3.32Å; H115-G117 PolarHBondContact ND1-N 2.77Å; H115-G117 PolarHBondContact ND1-O 2.98Å; H115-G117 PolarHBondContact O-N 2.93Å; H115-T118 PolarHBondContact CE1-N 3.25Å; H115-T118 PolarHBondContact CE1-OG1 3.33Å; H115-L127 HydrophobicContact CB-CD1 3.79Å; H115-L127 HydrophobicContact CB-CG 4.17Å; H115-I128 CarbonylContact C-O 3.58Å; H115-I128 WeakPolarHBondContact CA-O 3.16Å; H115-V138 VanDerWaalsContact O-CG1 3.29Å; H115-V138 WeakPolarHBondContact O-CG1 3.41Å; H115-Q142 PolarHBondContact O-NE2 3.09Å
116	S	92.4	Very high	96.1	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.26	C	S	.	.	S	Bend	trans	-70.9	13.8	-174.7	60	0	0	0	0	117	I128 Q142 K146 S246	S116-I128 PolarHBondContact N-O 2.81Å; S116-I128 WeakPolarHBondContact OG-CB 3.48Å; S116-I128 PolarHBondContact OG-N 3.49Å; S116-I128 VanDerWaalsContact OG-N 3.16Å; S116-Q142 WeakPolarHBondContact O-CA 3.22Å; S116-K146 VanDerWaalsContact O-CE 3.3Å; S116-K146 WeakPolarHBondContact O-CE 3.49Å; S116-K146 PolarHBondContact O-NZ 3.23Å; S116-S246 WeakPolarHBondContact CB-OG 3.3Å; S116-S246 PolarHBondContact OG-OG 3.36Å
117	G	92.6	Very high	96.1	Very high	14 Å²	14	44.7 Å²	44.7	14%	0.144	23%	0.225	C	C	.	.	S	Bend	trans	127	135.3	-179.5	0	0	0	0	0	112.3	H115 L119 L127 R243	H115-G117 VanDerWaalsContact ND1-C 3.32Å; H115-G117 PolarHBondContact ND1-N 2.77Å; H115-G117 PolarHBondContact ND1-O 2.98Å; H115-G117 PolarHBondContact O-N 2.93Å; G117-L119 PolarHBondContact O-N 2.78Å; G117-L127 WeakPolarHBondContact O-CD1 3.48Å; G117-R243 PolarHBondContact O-NH1 3.37Å; G117-R243 PolarHBondContact O-NH2 3.23Å
118	T	94.2	Very high	96.1	Very high	73 Å²	73	43.2 Å²	43.2	45%	0.448	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-64.4	125.6	-173.4	-47.2	0	0	0	0	110.7	H115	H115-T118 PolarHBondContact CE1-N 3.25Å; H115-T118 PolarHBondContact CE1-OG1 3.33Å
119	L	94.6	Very high	96.1	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.021	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-91.3	136.8	160.8	-68	169.1	0	0	0	108.5	K91 S97 G117 V123 L127 Y148 R243	K91-L119 HydrophobicContact CB-CD1 4.11Å; K91-L119 HydrophobicContact CD-CB 3.71Å; K91-L119 HydrophobicContact CD-CD1 3.78Å; K91-L119 HydrophobicContact CD-CG 4.36Å; S97-L119 PolarHBondContact OG-N 3.36Å; S97-L119 PolarHBondContact OG-O 3.28Å; G117-L119 PolarHBondContact O-N 2.78Å; L119-V123 HydrophobicContact CB-CB 4.15Å; L119-V123 HydrophobicContact CB-CG1 4.25Å; L119-V123 HydrophobicContact CD2-CB 4.31Å; L119-V123 HydrophobicContact CD2-CG1 3.5Å; L119-V123 HydrophobicContact CG-CG1 4.33Å; L119-L127 HydrophobicContact CD1-CB 4.3Å; L119-Y148 HydrophobicContact CD2-CE1 4.22Å; L119-R243 HydrophobicContact CD1-CB 4.45Å; L119-R243 HydrophobicContact CD2-CB 3.74Å; L119-R243 HydrophobicContact CD2-CG 4.43Å; L119-R243 VanDerWaalsContact CD2-CZ 3.48Å
120	D	92.4	Very high	96.2	Very high	47 Å²	47	35.6 Å²	35.6	25%	0.251	19%	0.187	S	C	.	.	P	Polyproline II helix	trans	-57	153.6	171.9	-73.1	-10.1	0	0	0	109.7	K122 V123 R222	D120-K122 VanDerWaalsContact C-N 3.3Å; D120-K122 PolarHBondContact O-N 2.79Å; D120-K122 VanDerWaalsContact O-N 3.14Å; D120-V123 HydrophobicContact CB-CB 4.48Å; D120-V123 HydrophobicContact CB-CG2 3.69Å; D120-V123 WeakPolarHBondContact O-CB 3.31Å; D120-V123 PolarHBondContact O-N 3.28Å; D120-R222 IonicContact OD2-CZ 2.71Å; D120-R222 IonicContact OD2-NE 2.7Å; D120-R222 IonicContact OD2-NH2 3.95Å; D120-R222 PolarHBondContact OD2-NH2 3.12Å
121	P	94.2	Very high	96.2	Very high	66 Å²	66	34.7 Å²	34.7	43%	0.429	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.3	-48.7	-176.9	-35.2	39.2	0	0	0	114.5	K91 N94 V123	K91-P121 PolarHBondContact NZ-O 2.83Å; N94-P121 CarbonylContact C-O 3.52Å; N94-P121 WeakPolarHBondContact CA-O 3.31Å; N94-P121 PolarHBondContact N-O 3.23Å; N94-P121 VanDerWaalsContact O-CB 3.27Å; N94-P121 WeakPolarHBondContact O-CB 3.47Å; P121-V123 VanDerWaalsContact C-N 3.29Å; P121-V123 PolarHBondContact O-N 2.92Å
122	K	95.2	Very high	96.3	Very high	170 Å²	170	29.3 Å²	29.3	74%	0.739	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-10	-178.5	-61.1	-171.3	178	-172.2	0	114.8	D120	D120-K122 VanDerWaalsContact C-N 3.3Å; D120-K122 PolarHBondContact O-N 2.79Å; D120-K122 VanDerWaalsContact O-N 3.14Å
123	V	96.8	Very high	96.2	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.024	14%	0.139	C	C	.	.			trans	-87.9	133.2	-173.4	-177.4	0	0	0	0	109.8	K91 L119 D120 P121 L241	K91-V123 PolarHBondContact NZ-O 3.14Å; L119-V123 HydrophobicContact CB-CB 4.15Å; L119-V123 HydrophobicContact CB-CG1 4.25Å; L119-V123 HydrophobicContact CD2-CB 4.31Å; L119-V123 HydrophobicContact CD2-CG1 3.5Å; L119-V123 HydrophobicContact CG-CG1 4.33Å; D120-V123 HydrophobicContact CB-CB 4.48Å; D120-V123 HydrophobicContact CB-CG2 3.69Å; D120-V123 WeakPolarHBondContact O-CB 3.31Å; D120-V123 PolarHBondContact O-N 3.28Å; P121-V123 VanDerWaalsContact C-N 3.29Å; P121-V123 PolarHBondContact O-N 2.92Å; V123-L241 WeakPolarHBondContact CA-O 3.15Å; V123-L241 HydrophobicContact CG1-CB 4.16Å; V123-L241 HydrophobicContact CG1-CD2 3.97Å; V123-L241 HydrophobicContact CG1-CG 4.04Å; V123-L241 WeakPolarHBondContact CG1-O 3.43Å; V123-L241 HydrophobicContact CG2-CB 4.06Å; V123-L241 HydrophobicContact CG2-CD2 4.02Å; V123-L241 HydrophobicContact CG2-CG 4.47Å
124	T	98.3	Very high	96.2	Very high	35 Å²	35	23.9 Å²	23.9	22%	0.215	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	178	-178.9	67	0	0	0	0	112.3	K91 A93 L241 R242 R243	K91-T124 VanDerWaalsContact O-CA 3.22Å; K91-T124 WeakPolarHBondContact O-CA 3.46Å; K91-T124 WeakPolarHBondContact O-CB 3.49Å; A93-T124 HydrophobicContact CB-CG2 3.71Å; T124-L241 PolarHBondContact N-O 3.02Å; T124-R242 WeakPolarHBondContact O-CA 3.41Å; T124-R243 PolarHBondContact O-N 3.36Å
125	G	97.2	Very high	96.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	98.2	-159.6	171.3	0	0	0	0	0	113.9	L89 D90 K91 L127 R243	L89-G125 VanDerWaalsContact O-O 3.11Å; D90-G125 WeakPolarHBondContact OD1-CA 3.34Å; D90-G125 PolarHBondContact OD1-N 3.39Å; K91-G125 PolarHBondContact N-O 2.84Å; K91-G125 PolarHBondContact O-N 3.31Å; G125-L127 PolarHBondContact O-N 3.36Å; G125-L127 VanDerWaalsContact O-N 3.14Å; G125-R243 CarbonylContact C-O 3.56Å; G125-R243 WeakPolarHBondContact CA-O 3.49Å
126	C	97.4	Very high	96.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	113.6	-163.5	-60.4	0	0	0	0	112.4	L89 R243 V244 E251 L255	L89-C126 CarbonylContact O-C 3.58Å; L89-C126 WeakPolarHBondContact O-CA 3.38Å; C126-R243 PolarHBondContact N-O 3.25Å; C126-R243 PolarHBondContact O-NE 2.9Å; C126-R243 PolarHBondContact O-NH2 3.32Å; C126-V244 PolarHBondContact SG-O 2.85Å; C126-E251 PolarHBondContact SG-N 3.44Å; C126-E251 VanDerWaalsContact SG-N 3.45Å; C126-L255 HydrophobicContact CB-CD1 4.38Å
127	L	97.8	Very high	96.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	107.1	170.1	-177	69.1	0	0	0	108.2	L89 K91 V100 V101 H115 G117 L119 G125 V129 R243	L89-L127 HydrophobicContact CB-CB 4.49Å; L89-L127 VanDerWaalsContact CB-O 3.26Å; L89-L127 WeakPolarHBondContact CB-O 2.99Å; L89-L127 HydrophobicContact CD2-CD2 4.48Å; L89-L127 PolarHBondContact N-O 2.9Å; L89-L127 PolarHBondContact O-N 2.67Å; K91-L127 HydrophobicContact CB-CB 4.1Å; K91-L127 HydrophobicContact CB-CD2 4.29Å; K91-L127 HydrophobicContact CD-CD2 4.32Å; K91-L127 HydrophobicContact CG-CD2 4.3Å; V100-L127 HydrophobicContact CG1-CD2 4.41Å; V101-L127 HydrophobicContact CG2-CD2 4.32Å; H115-L127 HydrophobicContact CB-CD1 3.79Å; H115-L127 HydrophobicContact CB-CG 4.17Å; G117-L127 WeakPolarHBondContact O-CD1 3.48Å; L119-L127 HydrophobicContact CD1-CB 4.3Å; G125-L127 PolarHBondContact O-N 3.36Å; G125-L127 VanDerWaalsContact O-N 3.14Å; L127-V129 HydrophobicContact CD2-CG2 4.23Å; L127-V129 HydrophobicContact CG-CG2 4.15Å; L127-V129 PolarHBondContact O-N 3.22Å; L127-R243 VanDerWaalsContact CD1-NH2 3.3Å
128	I	97.9	Very high	96.4	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	117.8	176.2	-57.8	170.2	0	0	0	107.4	F86 I87 H115 S116 S246 L249 L287	F86-I128 HydrophobicContact CB-CG2 4.23Å; F86-I128 HydrophobicContact CD2-CG2 3.66Å; F86-I128 HydrophobicContact CE2-CG2 4.41Å; F86-I128 HydrophobicContact CG-CG2 4.14Å; I87-I128 CarbonylContact O-C 3.55Å; I87-I128 VanDerWaalsContact O-CA 3.31Å; I87-I128 WeakPolarHBondContact O-CA 3.46Å; H115-I128 CarbonylContact C-O 3.58Å; H115-I128 WeakPolarHBondContact CA-O 3.16Å; S116-I128 PolarHBondContact N-O 2.81Å; S116-I128 WeakPolarHBondContact OG-CB 3.48Å; S116-I128 PolarHBondContact OG-N 3.49Å; S116-I128 VanDerWaalsContact OG-N 3.16Å; I128-S246 VanDerWaalsContact CD1-O 3.24Å; I128-S246 WeakPolarHBondContact CD1-O 3.4Å; I128-L249 HydrophobicContact CD1-CB 4.32Å; I128-L249 HydrophobicContact CD1-CD1 3.81Å; I128-L249 HydrophobicContact CD1-CG 4.48Å; I128-L249 HydrophobicContact CG1-CD1 3.99Å; I128-L287 HydrophobicContact CD1-CD2 4.02Å; I128-L287 HydrophobicContact CG2-CD1 4.42Å; I128-L287 HydrophobicContact CG2-CD2 4.12Å
129	V	98.2	Very high	96.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	109	177.4	-176.4	0	0	0	0	108.8	F86 I87 L89 V101 I104 G114 L127	F86-V129 CarbonylContact C-O 3.59Å; F86-V129 WeakPolarHBondContact CA-O 3.22Å; F86-V129 WeakPolarHBondContact CB-O 3.31Å; I87-V129 HydrophobicContact CB-CB 4.46Å; I87-V129 PolarHBondContact N-O 2.83Å; I87-V129 PolarHBondContact O-N 2.92Å; L89-V129 HydrophobicContact CB-CG2 4.27Å; L89-V129 HydrophobicContact CD2-CG2 4.3Å; V101-V129 HydrophobicContact CG1-CG1 4.34Å; V101-V129 HydrophobicContact CG2-CG1 4.19Å; V101-V129 HydrophobicContact CG2-CG2 4Å; I104-V129 HydrophobicContact CD1-CB 4.2Å; I104-V129 HydrophobicContact CD1-CG1 4.05Å; I104-V129 HydrophobicContact CD1-CG2 3.82Å; I104-V129 HydrophobicContact CG2-CG1 4.2Å; G114-V129 CarbonylContact O-C 3.57Å; G114-V129 WeakPolarHBondContact O-CA 3.42Å; L127-V129 HydrophobicContact CD2-CG2 4.23Å; L127-V129 HydrophobicContact CG-CG2 4.15Å; L127-V129 PolarHBondContact O-N 3.22Å
130	C	98.2	Very high	96.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	138.3	177.3	-63.6	0	0	0	0	110.6	T113 G114 A134 T135 V138	T113-C130 CarbonylContact C-O 3.5Å; T113-C130 VanDerWaalsContact CA-O 3.26Å; T113-C130 WeakPolarHBondContact CA-O 3.43Å; G114-C130 PolarHBondContact N-O 3.12Å; G114-C130 PolarHBondContact O-N 2.89Å; C130-A134 HydrophobicContact CB-CB 3.92Å; C130-T135 HydrophobicContact CB-CG2 4.41Å; C130-V138 HydrophobicContact CB-CG2 3.74Å
131	I	98.3	Very high	96.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	136.5	-178	-57.8	160.9	0	0	0	109.6	V82 G85 I87 L108 V110 R133 A134 I281	V82-I131 HydrophobicContact CG1-CG2 4.23Å; V82-I131 WeakPolarHBondContact O-CB 3.22Å; V82-I131 VanDerWaalsContact O-CG2 3.28Å; V82-I131 WeakPolarHBondContact O-CG2 3.47Å; G85-I131 WeakPolarHBondContact O-CB 3.21Å; G85-I131 PolarHBondContact O-N 3.44Å; I87-I131 HydrophobicContact CD1-CD1 4.1Å; I87-I131 HydrophobicContact CG1-CD1 4.18Å; L108-I131 HydrophobicContact CD1-CD1 3.61Å; L108-I131 HydrophobicContact CD1-CG1 4.27Å; V110-I131 HydrophobicContact CB-CG2 3.96Å; V110-I131 HydrophobicContact CG1-CG2 3.73Å; V110-I131 HydrophobicContact CG2-CG2 3.98Å; I131-R133 PolarHBondContact O-N 3.23Å; I131-A134 VanDerWaalsContact O-CB 3.28Å; I131-A134 WeakPolarHBondContact O-CB 3.42Å; I131-A134 PolarHBondContact O-N 3.42Å; I131-I281 HydrophobicContact CD1-CD1 4.05Å; I131-I281 HydrophobicContact CD1-CG1 4.28Å; I131-I281 HydrophobicContact CD1-CG2 4.36Å
132	D	97.6	Very high	96.3	Very high	20 Å²	20	33.6 Å²	33.6	11%	0.107	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	39.8	-103.9	175.8	-64.9	-27.7	0	0	0	114.1	K83 E111 K112 A134 T135	K83-D132 HydrophobicContact CB-CB 4.29Å; K83-D132 HydrophobicContact CG-CB 4.44Å; K83-D132 WeakPolarHBondContact CG-OD2 3.24Å; K83-D132 WeakPolarHBondContact O-CB 3.21Å; E111-D132 PolarHBondContact N-OD1 3.49Å; E111-D132 VanDerWaalsContact N-OD1 3.1Å; K112-D132 PolarHBondContact N-OD1 3.13Å; K112-D132 PolarHBondContact O-N 3.25Å; D132-A134 VanDerWaalsContact C-N 3.27Å; D132-A134 PolarHBondContact O-N 2.91Å; D132-T135 VanDerWaalsContact O-CB 3.29Å; D132-T135 WeakPolarHBondContact O-CB 3.45Å; D132-T135 VanDerWaalsContact O-CG2 3.29Å; D132-T135 WeakPolarHBondContact O-CG2 3.46Å; D132-T135 PolarHBondContact O-N 2.78Å; D132-T135 PolarHBondContact O-OG1 3.38Å
133	R	95.9	Very high	96.2	Very high	45 Å²	45	29.7 Å²	29.7	17%	0.17	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-63.4	-34.2	-176.9	-59.6	-172.1	-68.6	-177.8	-6.3	112.3	D80 K83 S84 I131 T135 R136 E367	D80-R133 PolarHBondContact O-NH2 3.26Å; K83-R133 VanDerWaalsContact O-CB 3.25Å; K83-R133 WeakPolarHBondContact O-CB 3.5Å; K83-R133 WeakPolarHBondContact O-CG 3.31Å; K83-R133 PolarHBondContact O-N 2.9Å; S84-R133 VanDerWaalsContact CB-NH2 3.28Å; S84-R133 PolarHBondContact OG-NH2 2.84Å; I131-R133 PolarHBondContact O-N 3.23Å; R133-T135 PolarHBondContact O-N 2.66Å; R133-R136 WeakPolarHBondContact O-CB 3.34Å; R133-R136 VanDerWaalsContact O-CG 3.28Å; R133-R136 WeakPolarHBondContact O-CG 3.47Å; R133-R136 PolarHBondContact O-N 3.36Å; R133-E367 WeakPolarHBondContact CD-OE1 3.47Å; R133-E367 HydrophobicContact CG-CG 4.4Å; R133-E367 WeakPolarHBondContact CG-OE1 3.07Å
134	A	97.3	Very high	96.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-64.9	-20.4	178.3	0	0	0	0	0	112.2	G85 C130 I131 D132 R136 L137 L284	G85-A134 WeakPolarHBondContact O-CB 3.46Å; C130-A134 HydrophobicContact CB-CB 3.92Å; I131-A134 VanDerWaalsContact O-CB 3.28Å; I131-A134 WeakPolarHBondContact O-CB 3.42Å; I131-A134 PolarHBondContact O-N 3.42Å; D132-A134 VanDerWaalsContact C-N 3.27Å; D132-A134 PolarHBondContact O-N 2.91Å; A134-R136 PolarHBondContact O-N 2.81Å; A134-L137 WeakPolarHBondContact O-CB 3.43Å; A134-L137 PolarHBondContact O-N 2.83Å; A134-L284 HydrophobicContact CB-CB 3.92Å; A134-L284 HydrophobicContact CB-CD2 4.17Å
135	T	97.2	Very high	95.9	Very high	39 Å²	39	30 Å²	30	24%	0.239	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-58.3	-22.1	175.6	65.6	0	0	0	0	112.6	K112 C130 D132 R133 L137 V138	K112-T135 HydrophobicContact CB-CG2 4.22Å; C130-T135 HydrophobicContact CB-CG2 4.41Å; D132-T135 VanDerWaalsContact O-CB 3.29Å; D132-T135 WeakPolarHBondContact O-CB 3.45Å; D132-T135 VanDerWaalsContact O-CG2 3.29Å; D132-T135 WeakPolarHBondContact O-CG2 3.46Å; D132-T135 PolarHBondContact O-N 2.78Å; D132-T135 PolarHBondContact O-OG1 3.38Å; R133-T135 PolarHBondContact O-N 2.66Å; T135-L137 PolarHBondContact O-N 3.22Å; T135-L137 VanDerWaalsContact O-N 3.16Å; T135-V138 WeakPolarHBondContact O-CB 3.3Å; T135-V138 WeakPolarHBondContact O-CG2 3.26Å; T135-V138 PolarHBondContact O-N 3.44Å; T135-V138 VanDerWaalsContact O-N 3.14Å
136	R	95.5	Very high	95.9	Very high	65 Å²	65	30.2 Å²	30.2	25%	0.245	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-60.2	-22.8	173.4	-62.9	175	-175.6	-168.8	0.2	113	R133 A134 R363 V364 I365 M366 E367	R133-R136 WeakPolarHBondContact O-CB 3.34Å; R133-R136 VanDerWaalsContact O-CG 3.28Å; R133-R136 WeakPolarHBondContact O-CG 3.47Å; R133-R136 PolarHBondContact O-N 3.36Å; A134-R136 PolarHBondContact O-N 2.81Å; R136-R363 PolarHBondContact O-NE 2.82Å; R136-V364 WeakPolarHBondContact CD-O 3.38Å; R136-I365 PolarHBondContact NH1-O 2.99Å; R136-M366 PolarHBondContact NH1-O 3.18Å; R136-M366 VanDerWaalsContact NH1-O 3.11Å; R136-E367 IonicContact CZ-OE1 2.82Å; R136-E367 IonicContact CZ-OE2 3.59Å; R136-E367 IonicContact NH1-OE2 3.16Å; R136-E367 IonicContact NH2-OE1 3.82Å; R136-E367 PolarHBondContact NH2-OE1 3.34Å; R136-E367 IonicContact NH2-OE2 3.88Å; R136-E367 PolarHBondContact NH2-OE2 3.28Å
137	L	96	Very high	95.9	Very high	3 Å²	3	32 Å²	32	2%	0.016	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-92.7	-10.7	179.6	-65	179.3	0	0	0	114.1	A134 T135 K139 S140 Q141 L284 L287 L288 T340 I365	A134-L137 WeakPolarHBondContact O-CB 3.43Å; A134-L137 PolarHBondContact O-N 2.83Å; T135-L137 PolarHBondContact O-N 3.22Å; T135-L137 VanDerWaalsContact O-N 3.16Å; L137-K139 PolarHBondContact O-N 3.04Å; L137-K139 VanDerWaalsContact O-N 3.12Å; L137-S140 WeakPolarHBondContact O-CB 3.45Å; L137-S140 PolarHBondContact O-N 3.04Å; L137-S140 PolarHBondContact O-OG 2.98Å; L137-Q141 PolarHBondContact O-N 2.91Å; L137-Q141 VanDerWaalsContact O-N 3.16Å; L137-L284 HydrophobicContact CD1-CB 4.08Å; L137-L284 HydrophobicContact CD1-CD1 4.24Å; L137-L287 HydrophobicContact CD1-CD1 4.2Å; L137-L288 HydrophobicContact CD1-CD1 4.27Å; L137-L288 HydrophobicContact CD1-CD2 4.38Å; L137-L288 HydrophobicContact CD1-CG 4.34Å; L137-L288 HydrophobicContact CD2-CD2 4.19Å; L137-T340 HydrophobicContact CD2-CG2 4.36Å; L137-I365 HydrophobicContact CD2-CD1 3.72Å; L137-I365 HydrophobicContact CD2-CG1 3.95Å; L137-I365 HydrophobicContact CG-CD1 4.46Å
138	V	95.3	Very high	96	Very high	17 Å²	17	33 Å²	33	10%	0.103	18%	0.175	C	C	.	.	H	α-helix	trans	-52	-42.5	-174.6	165.1	0	0	0	0	112.5	H115 C130 T135 S140 Q141 Q142	H115-V138 VanDerWaalsContact O-CG1 3.29Å; H115-V138 WeakPolarHBondContact O-CG1 3.41Å; C130-V138 HydrophobicContact CB-CG2 3.74Å; T135-V138 WeakPolarHBondContact O-CB 3.3Å; T135-V138 WeakPolarHBondContact O-CG2 3.26Å; T135-V138 PolarHBondContact O-N 3.44Å; T135-V138 VanDerWaalsContact O-N 3.14Å; V138-S140 VanDerWaalsContact C-N 3.32Å; V138-S140 PolarHBondContact O-N 3.25Å; V138-Q141 PolarHBondContact O-N 3.23Å; V138-Q141 VanDerWaalsContact O-N 3.11Å; V138-Q142 HydrophobicContact CG1-CG 4.15Å; V138-Q142 WeakPolarHBondContact O-CG 3.37Å; V138-Q142 PolarHBondContact O-N 3.31Å
139	K	92.4	Very high	96	Very high	166 Å²	166	35 Å²	35	72%	0.722	19%	0.187	S	C	*	.	H	α-helix	trans	-59	-41.8	178.4	-174.9	171.3	-179.1	169.9	0	112.5	L137 Q141 Q142 S143	L137-K139 PolarHBondContact O-N 3.04Å; L137-K139 VanDerWaalsContact O-N 3.12Å; K139-Q141 VanDerWaalsContact C-N 3.34Å; K139-Q142 PolarHBondContact O-N 2.97Å; K139-S143 PolarHBondContact O-N 3.11Å; K139-S143 PolarHBondContact O-OG 3.28Å
140	S	91.8	Very high	96	Very high	49 Å²	49	35 Å²	35	34%	0.343	19%	0.187	S	C	.	.	H	α-helix	trans	-65	-40.9	176.2	70.6	0	0	0	0	111.4	L137 V138 Q142 S143 A144	L137-S140 WeakPolarHBondContact O-CB 3.45Å; L137-S140 PolarHBondContact O-N 3.04Å; L137-S140 PolarHBondContact O-OG 2.98Å; V138-S140 VanDerWaalsContact C-N 3.32Å; V138-S140 PolarHBondContact O-N 3.25Å; S140-Q142 PolarHBondContact O-N 3.44Å; S140-S143 PolarHBondContact O-N 3.06Å; S140-A144 PolarHBondContact O-N 3.25Å; S140-A144 VanDerWaalsContact O-N 3.12Å
141	Q	94.3	Very high	96	Very high	7 Å²	7	36.8 Å²	36.8	3%	0.033	20%	0.196	C	C	.	.	H	α-helix	trans	-70.2	-33.2	-179.5	-59.4	-53.8	-54.1	0	0	112.2	L137 V138 K139 A144 K146 L287	L137-Q141 PolarHBondContact O-N 2.91Å; L137-Q141 VanDerWaalsContact O-N 3.16Å; V138-Q141 PolarHBondContact O-N 3.23Å; V138-Q141 VanDerWaalsContact O-N 3.11Å; K139-Q141 VanDerWaalsContact C-N 3.34Å; Q141-A144 PolarHBondContact O-N 3.04Å; Q141-K146 PolarHBondContact O-NZ 3.39Å; Q141-L287 HydrophobicContact CG-CD1 4.14Å
142	Q	94.5	Very high	95.9	Very high	86 Å²	86	36.8 Å²	36.8	40%	0.402	20%	0.196	S	C	.	.	H	α-helix	trans	-63.3	-43	173.6	-75	175	-8.1	0	0	111.9	H115 S116 V138 K139 S140 K146 A217	H115-Q142 PolarHBondContact O-NE2 3.09Å; S116-Q142 WeakPolarHBondContact O-CA 3.22Å; V138-Q142 HydrophobicContact CG1-CG 4.15Å; V138-Q142 WeakPolarHBondContact O-CG 3.37Å; V138-Q142 PolarHBondContact O-N 3.31Å; K139-Q142 PolarHBondContact O-N 2.97Å; S140-Q142 PolarHBondContact O-N 3.44Å; Q142-K146 PolarHBondContact O-NZ 3.38Å; Q142-K146 VanDerWaalsContact O-NZ 3.15Å; Q142-A217 VanDerWaalsContact O-CB 3.23Å; Q142-A217 WeakPolarHBondContact O-CB 3.45Å
143	S	92.6	Very high	95.9	Very high	87 Å²	87	40.4 Å²	40.4	61%	0.608	21%	0.209	S	C	*	.	H	α-helix	trans	-77.1	-16.1	179.6	-62.6	0	0	0	0	114.6	K139 S140 A217	K139-S143 PolarHBondContact O-N 3.11Å; K139-S143 PolarHBondContact O-OG 3.28Å; S140-S143 PolarHBondContact O-N 3.06Å; S143-A217 WeakPolarHBondContact O-CB 3.45Å
144	A	93.9	Very high	96	Very high	26 Å²	26	38.3 Å²	38.3	22%	0.215	20%	0.201	C	C	.	.	S	Bend	trans	-65.6	150.6	-179.8	0	0	0	0	0	112.5	S140 Q141 K146	S140-A144 PolarHBondContact O-N 3.25Å; S140-A144 VanDerWaalsContact O-N 3.12Å; Q141-A144 PolarHBondContact O-N 3.04Å; A144-K146 PolarHBondContact O-NZ 3.45Å
145	G	94.4	Very high	96	Very high	19 Å²	19	43.6 Å²	43.6	20%	0.196	23%	0.225	C	C	.	.			trans	-56.7	150.6	175.4	0	0	0	0	0	112.9	G247	G145-G247 PolarHBondContact O-N 3.5Å
146	K	97.4	Very high	95.9	Very high	6 Å²	6	46.6 Å²	46.6	3%	0.026	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	149.3	-175.3	-57.3	-59.3	-170.6	-68.7	0	109.9	S116 Q141 Q142 A144 Y148 C215 S246	S116-K146 VanDerWaalsContact O-CE 3.3Å; S116-K146 WeakPolarHBondContact O-CE 3.49Å; S116-K146 PolarHBondContact O-NZ 3.23Å; Q141-K146 PolarHBondContact O-NZ 3.39Å; Q142-K146 PolarHBondContact O-NZ 3.38Å; Q142-K146 VanDerWaalsContact O-NZ 3.15Å; A144-K146 PolarHBondContact O-NZ 3.45Å; K146-Y148 HydrophobicContact CB-CD2 4.49Å; K146-Y148 HydrophobicContact CB-CE2 3.6Å; K146-C215 PolarHBondContact N-O 3.2Å; K146-C215 PolarHBondContact O-N 2.76Å; K146-S246 WeakPolarHBondContact CE-OG 3.35Å
147	E	98.3	Very high	95.7	Very high	36 Å²	36	45.9 Å²	45.9	17%	0.168	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	145.2	172.2	-60.3	174.3	-165.3	0	0	111.1	W212 V213 R243 V244 R245	E147-W212 HydrophobicContact CG-CZ2 4.08Å; E147-W212 PolarHBondContact OE2-NE1 2.86Å; E147-V213 CarbonylContact C-O 3.45Å; E147-V213 VanDerWaalsContact CA-O 3.22Å; E147-V213 WeakPolarHBondContact CA-O 3.43Å; E147-R243 WeakPolarHBondContact O-CG 3.5Å; E147-V244 PolarHBondContact O-N 2.94Å; E147-R245 HydrophobicContact CB-CB 3.72Å; E147-R245 HydrophobicContact CG-CB 3.95Å; E147-R245 PolarHBondContact N-O 3.47Å; E147-R245 PolarHBondContact O-N 3.31Å; E147-R245 WeakPolarHBondContact OE1-CD 3.15Å; E147-R245 IonicContact OE1-CZ 3.83Å; E147-R245 IonicContact OE1-NE 2.89Å; E147-R245 IonicContact OE1-NH1 3.25Å; E147-R245 PolarHBondContact OE1-NH1 2.8Å
148	Y	98.4	Very high	95.6	Very high	23 Å²	23	46.8 Å²	46.8	9%	0.09	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	152.3	-177.8	-58.2	-91.2	0	0	0	111.2	L119 K146 W212 V213 I221 L241 R242 R243	L119-Y148 HydrophobicContact CD2-CE1 4.22Å; K146-Y148 HydrophobicContact CB-CD2 4.49Å; K146-Y148 HydrophobicContact CB-CE2 3.6Å; Y148-W212 CarbonylContact O-C 3.52Å; Y148-W212 WeakPolarHBondContact O-CA 3.38Å; Y148-V213 HydrophobicContact CD2-CG1 4.4Å; Y148-V213 PolarHBondContact N-O 2.9Å; Y148-V213 PolarHBondContact O-N 3.31Å; Y148-I221 HydrophobicContact CD1-CG1 4.49Å; Y148-I221 HydrophobicContact CD2-CD1 3.92Å; Y148-I221 HydrophobicContact CD2-CG1 3.76Å; Y148-I221 HydrophobicContact CE2-CD1 4.35Å; Y148-I221 HydrophobicContact CE2-CG1 4.14Å; Y148-I221 HydrophobicContact CG-CG1 3.96Å; Y148-L241 HydrophobicContact CD1-CD1 4.04Å; Y148-L241 HydrophobicContact CD1-CD2 3.93Å; Y148-L241 HydrophobicContact CD1-CG 3.94Å; Y148-L241 HydrophobicContact CE1-CD2 4.25Å; Y148-L241 HydrophobicContact CG-CD1 4.15Å; Y148-R242 CarbonylContact C-O 3.58Å; Y148-R242 VanDerWaalsContact CA-O 3.27Å; Y148-R242 WeakPolarHBondContact CA-O 3.42Å; Y148-R243 HydrophobicContact CD1-CB 3.72Å; Y148-R243 HydrophobicContact CD1-CG 3.95Å; Y148-R243 HydrophobicContact CE1-CB 3.58Å; Y148-R243 HydrophobicContact CE1-CG 3.59Å
149	V	98.4	Very high	95.3	Very high	42 Å²	42	54.9 Å²	54.9	26%	0.255	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	120.3	157.9	172.9	0	0	0	0	106.5	I200 I210 F211 W212 R242 V244	V149-I200 HydrophobicContact CG1-CD1 4.39Å; V149-I210 HydrophobicContact CG1-CG2 3.95Å; V149-F211 CarbonylContact C-O 3.58Å; V149-F211 WeakPolarHBondContact CA-O 3.3Å; V149-W212 HydrophobicContact CG2-CB 4.35Å; V149-R242 PolarHBondContact N-O 2.85Å; V149-R242 PolarHBondContact O-N 3.33Å; V149-V244 HydrophobicContact CB-CG2 4.09Å; V149-V244 HydrophobicContact CG2-CG2 3.66Å
150	G	97.5	Very high	95.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	149.1	-176.1	0	0	0	0	0	111.6	I210 F211	G150-I210 WeakPolarHBondContact O-CA 3.47Å; G150-F211 PolarHBondContact N-O 2.75Å; G150-F211 WeakPolarHBondContact O-CD1 3.41Å; G150-F211 PolarHBondContact O-N 2.92Å
151	I	98.1	Very high	95.2	Very high	36 Å²	36	50.6 Å²	50.6	19%	0.185	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	117.7	170.3	-52.9	-174.3	0	0	0	107.8	L208 G209 I210 Q239 E240	I151-L208 HydrophobicContact CG2-CB 4.26Å; I151-L208 HydrophobicContact CG2-CD2 3.89Å; I151-L208 HydrophobicContact CG2-CG 4.5Å; I151-G209 CarbonylContact C-O 3.56Å; I151-G209 WeakPolarHBondContact CA-O 3.35Å; I151-I210 HydrophobicContact CG1-CG1 4.29Å; I151-Q239 HydrophobicContact CB-CB 4.19Å; I151-Q239 HydrophobicContact CG2-CB 4Å; I151-Q239 HydrophobicContact CG2-CG 4.4Å; I151-Q239 PolarHBondContact O-N 3.33Å; I151-E240 HydrophobicContact CB-CB 4.34Å; I151-E240 HydrophobicContact CD1-CB 4.18Å; I151-E240 HydrophobicContact CG1-CB 4.31Å; I151-E240 PolarHBondContact N-O 2.96Å
152	V	97.9	Very high	95.2	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	134.8	169.4	60.2	0	0	0	0	109.1	L154 L208 G209 F211 C225 L228	V152-L154 HydrophobicContact CG2-CD2 4.04Å; V152-L208 WeakPolarHBondContact O-CA 3.49Å; V152-G209 WeakPolarHBondContact CG1-O 3.37Å; V152-G209 PolarHBondContact N-O 3.16Å; V152-G209 PolarHBondContact O-N 2.93Å; V152-F211 HydrophobicContact CB-CE1 4.03Å; V152-F211 HydrophobicContact CG1-CD1 4.25Å; V152-F211 HydrophobicContact CG1-CE1 4.18Å; V152-C225 HydrophobicContact CB-CB 4.47Å; V152-C225 HydrophobicContact CG2-CB 4.04Å; V152-L228 HydrophobicContact CB-CD2 4.45Å; V152-L228 HydrophobicContact CG1-CD2 4.01Å; V152-L228 HydrophobicContact CG2-CD2 4.32Å
153	R	97.8	Very high	95.2	Very high	97 Å²	97	54.3 Å²	54.3	37%	0.366	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	117.6	167.9	-172.5	172.5	-157.5	-120	5.7	109.3	R207 L208 G236 Q237 Q239	R153-R207 WeakPolarHBondContact CA-O 3.3Å; R153-L208 HydrophobicContact CB-CD2 3.69Å; R153-L208 HydrophobicContact CG-CD2 3.82Å; R153-G236 VanDerWaalsContact O-CA 3.31Å; R153-G236 WeakPolarHBondContact O-CA 3.24Å; R153-Q237 HydrophobicContact CB-CG 4.29Å; R153-Q237 PolarHBondContact N-O 2.83Å; R153-Q237 PolarHBondContact O-N 3.34Å; R153-Q239 HydrophobicContact CB-CB 4.19Å
154	L	97.8	Very high	95.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	145.9	174.3	-56.4	179	0	0	0	109.5	V152 N156 I158 Y202 R207 L232 V234	V152-L154 HydrophobicContact CG2-CD2 4.04Å; L154-N156 VanDerWaalsContact C-N 3.33Å; L154-N156 WeakPolarHBondContact CB-O 3.37Å; L154-I158 HydrophobicContact CD1-CD1 3.94Å; L154-I158 HydrophobicContact CD1-CG1 3.99Å; L154-I158 HydrophobicContact CD1-CG2 3.94Å; L154-Y202 HydrophobicContact CD1-CE2 3.94Å; L154-R207 HydrophobicContact CB-CB 4.34Å; L154-R207 PolarHBondContact N-O 3.25Å; L154-L232 HydrophobicContact CD1-CD1 4.1Å; L154-L232 HydrophobicContact CD2-CD1 3.84Å; L154-V234 HydrophobicContact CB-CG2 4.14Å; L154-V234 HydrophobicContact CD1-CG2 4.44Å; L154-V234 HydrophobicContact CD2-CG2 4.35Å
155	H	97.1	Very high	95.5	Very high	111 Å²	111	50.7 Å²	50.7	51%	0.514	27%	0.265	S	S	.	.	S	Bend	trans	-77	-25.4	-179.8	-51.1	162.4	0	0	0	112	V234 G235	H155-V234 WeakPolarHBondContact CB-O 3.13Å; H155-G235 PolarHBondContact N-O 2.86Å
156	N	95	Very high	95.5	Very high	103 Å²	103	57.2 Å²	57.2	55%	0.551	28%	0.284	S	S	*	.	S	Bend	trans	-132.9	161.6	173.2	-151.2	-8.8	0	0	0	111.5	L154 R207 V234	L154-N156 VanDerWaalsContact C-N 3.33Å; L154-N156 WeakPolarHBondContact CB-O 3.37Å; N156-R207 VanDerWaalsContact C-CD 3.46Å; N156-V234 HydrophobicContact CB-CB 3.92Å; N156-V234 HydrophobicContact CB-CG1 3.96Å
157	A	91.6	Very high	95.5	Very high	50 Å²	50	57.2 Å²	57.2	41%	0.413	29%	0.285	S	S	.	.			trans	-67	148.9	174.8	0	0	0	0	0	110.5	R207	A157-R207 HydrophobicContact CB-CG 4.44Å
158	I	93.9	Very high	95.4	Very high	22 Å²	22	55.7 Å²	55.7	11%	0.113	28%	0.278	C	S	.	.			trans	-114.7	160.2	173.2	55.1	164.2	0	0	0	109.3	L154 S160 L164 Y202 V234	L154-I158 HydrophobicContact CD1-CD1 3.94Å; L154-I158 HydrophobicContact CD1-CG1 3.99Å; L154-I158 HydrophobicContact CD1-CG2 3.94Å; I158-S160 WeakPolarHBondContact CD1-O 3.45Å; I158-S160 PolarHBondContact O-N 3.06Å; I158-L164 HydrophobicContact CD1-CB 3.68Å; I158-Y202 HydrophobicContact CD1-CD1 4.44Å; I158-Y202 HydrophobicContact CD1-CE1 3.87Å; I158-Y202 HydrophobicContact CD1-CE2 4.34Å; I158-Y202 HydrophobicContact CG1-CE1 3.57Å; I158-Y202 HydrophobicContact CG1-CE2 4.32Å; I158-Y202 VanDerWaalsContact CG1-CZ 3.44Å; I158-Y202 WeakPolarHBondContact CG1-OH 3.4Å; I158-V234 HydrophobicContact CG2-CG1 4.07Å; I158-V234 HydrophobicContact CG2-CG2 3.89Å
159	E	87.1	Confident	95.3	Very high	186 Å²	186	61 Å²	61	87%	0.869	30%	0.304	S	S	*	.	S	Bend	trans	-62.1	-39.2	-172.2	-62.1	174.1	176.4	0	0	113.6
160	S	90.4	Very high	95.2	Very high	41 Å²	41	63.5 Å²	63.5	29%	0.287	32%	0.319	S	S	.	.			trans	-159	158.9	-179.7	63.9	0	0	0	0	113.2	I158 H162 V163	I158-S160 WeakPolarHBondContact CD1-O 3.45Å; I158-S160 PolarHBondContact O-N 3.06Å; S160-H162 PolarHBondContact O-N 3.03Å; S160-V163 WeakPolarHBondContact O-CB 3.44Å; S160-V163 PolarHBondContact O-N 3.49Å; S160-V163 VanDerWaalsContact O-N 3.1Å
161	E	93.3	Very high	95.2	Very high	85 Å²	85	64.4 Å²	64.4	40%	0.397	32%	0.324	S	S	.	.	H	α-helix	trans	-54.8	-35.8	171.4	-178	174	-172.1	0	0	112.5	V163 L164 A165 L199 Y202	E161-V163 PolarHBondContact O-N 3.12Å; E161-L164 WeakPolarHBondContact O-CB 3.35Å; E161-L164 PolarHBondContact O-N 2.88Å; E161-L164 VanDerWaalsContact O-N 3.08Å; E161-A165 PolarHBondContact O-N 3.46Å; E161-L199 HydrophobicContact CG-CD2 3.47Å; E161-L199 VanDerWaalsContact CG-CD2 3.47Å; E161-Y202 HydrophobicContact CB-CD1 4.2Å
162	H	94.4	Very high	95.2	Very high	138 Å²	138	65.4 Å²	65.4	64%	0.639	33%	0.332	S	S	*	.	H	α-helix	trans	-61.8	-30.6	178.4	-60.6	-62.7	0	0	0	113.1	S160 R166	S160-H162 PolarHBondContact O-N 3.03Å; H162-R166 WeakPolarHBondContact O-CB 3.41Å; H162-R166 VanDerWaalsContact O-CG 3.31Å; H162-R166 WeakPolarHBondContact O-CG 3.2Å; H162-R166 PolarHBondContact O-N 2.87Å; H162-R166 PolarHBondContact O-NE 3.15Å
163	V	94.8	Very high	95.1	Very high	33 Å²	33	66.8 Å²	66.8	20%	0.2	35%	0.346	C	S	.	.	H	α-helix	trans	-68.2	-42.8	175.4	-178.2	0	0	0	0	109.9	S160 E161 A167 L232	S160-V163 WeakPolarHBondContact O-CB 3.44Å; S160-V163 PolarHBondContact O-N 3.49Å; S160-V163 VanDerWaalsContact O-N 3.1Å; E161-V163 PolarHBondContact O-N 3.12Å; V163-A167 WeakPolarHBondContact O-CB 3.47Å; V163-A167 PolarHBondContact O-N 3.04Å; V163-L232 HydrophobicContact CG1-CD2 3.61Å
164	L	94.9	Very high	95.1	Very high	1 Å²	1	65.6 Å²	65.6	1%	0.005	36%	0.357	C	S	.	.	H	α-helix	trans	-63.9	-43.6	175.6	-173.9	60.5	0	0	0	111.9	I158 E161 A167 L168 L199 Y202 L228 L232	I158-L164 HydrophobicContact CD1-CB 3.68Å; E161-L164 WeakPolarHBondContact O-CB 3.35Å; E161-L164 PolarHBondContact O-N 2.88Å; E161-L164 VanDerWaalsContact O-N 3.08Å; L164-A167 PolarHBondContact O-N 2.84Å; L164-L168 WeakPolarHBondContact O-CB 3.49Å; L164-L168 PolarHBondContact O-N 3.33Å; L164-L199 HydrophobicContact CB-CD2 4.19Å; L164-L199 HydrophobicContact CD2-CD1 3.66Å; L164-L199 HydrophobicContact CD2-CD2 4.21Å; L164-L199 HydrophobicContact CG-CD1 4.03Å; L164-L199 HydrophobicContact CG-CD2 4.21Å; L164-Y202 HydrophobicContact CD2-CD2 3.51Å; L164-Y202 HydrophobicContact CD2-CE2 4.22Å; L164-Y202 HydrophobicContact CD2-CG 3.9Å; L164-L228 HydrophobicContact CD1-CD1 4.21Å; L164-L228 HydrophobicContact CD1-CD2 3.65Å; L164-L228 HydrophobicContact CD1-CG 3.98Å; L164-L232 HydrophobicContact CD1-CD1 3.71Å
165	A	95.9	Very high	95.1	Very high	35 Å²	35	66.6 Å²	66.6	29%	0.289	36%	0.362	S	S	.	.	H	α-helix	trans	-60.2	-47.8	178.7	0	0	0	0	0	111.6	E161 A167 L168 E169 L199	E161-A165 PolarHBondContact O-N 3.46Å; A165-A167 PolarHBondContact O-N 3.45Å; A165-L168 PolarHBondContact O-N 3.19Å; A165-E169 WeakPolarHBondContact O-CB 3.45Å; A165-E169 PolarHBondContact O-N 3.43Å; A165-L199 HydrophobicContact CB-CB 4.4Å; A165-L199 HydrophobicContact CB-CD2 3.86Å
166	R	96.3	Very high	95.1	Very high	156 Å²	156	67.8 Å²	67.8	59%	0.589	37%	0.366	S	S	*	.	H	α-helix	trans	-62.4	-41.2	176.6	-73.1	-174.3	-63.2	166.1	0.1	112.5	H162 L168 E169 T170	H162-R166 WeakPolarHBondContact O-CB 3.41Å; H162-R166 VanDerWaalsContact O-CG 3.31Å; H162-R166 WeakPolarHBondContact O-CG 3.2Å; H162-R166 PolarHBondContact O-N 2.87Å; H162-R166 PolarHBondContact O-NE 3.15Å; R166-L168 VanDerWaalsContact C-N 3.32Å; R166-L168 PolarHBondContact O-N 3.29Å; R166-E169 PolarHBondContact O-N 3.15Å; R166-T170 WeakPolarHBondContact O-CB 3.47Å; R166-T170 PolarHBondContact O-N 2.91Å; R166-T170 PolarHBondContact O-OG1 2.86Å
167	A	96.4	Very high	95.1	Very high	7 Å²	7	62.9 Å²	62.9	6%	0.058	34%	0.34	C	S	.	.	H	α-helix	trans	-64.8	-38.4	177.1	0	0	0	0	0	111.7	V163 L164 A165 T170 L171 L228 L231 L232	V163-A167 WeakPolarHBondContact O-CB 3.47Å; V163-A167 PolarHBondContact O-N 3.04Å; L164-A167 PolarHBondContact O-N 2.84Å; A165-A167 PolarHBondContact O-N 3.45Å; A167-T170 PolarHBondContact O-N 3.49Å; A167-L171 PolarHBondContact O-N 2.95Å; A167-L228 HydrophobicContact CB-CD1 3.62Å; A167-L231 HydrophobicContact CB-CD2 3.99Å; A167-L232 HydrophobicContact CB-CD2 3.69Å; A167-L232 HydrophobicContact CB-CG 4.06Å
168	L	96.6	Very high	95.3	Very high	3 Å²	3	66.6 Å²	66.6	2%	0.016	34%	0.343	C	S	.	.	H	α-helix	trans	-68	-39.2	175.9	-175.4	66.9	0	0	0	112.2	L164 A165 R166 L171 S197 L199 F211 L228	L164-L168 WeakPolarHBondContact O-CB 3.49Å; L164-L168 PolarHBondContact O-N 3.33Å; A165-L168 PolarHBondContact O-N 3.19Å; R166-L168 VanDerWaalsContact C-N 3.32Å; R166-L168 PolarHBondContact O-N 3.29Å; L168-L171 CarbonylContact O-C 3.51Å; L168-L171 PolarHBondContact O-N 2.9Å; L168-S197 PolarHBondContact O-OG 3.25Å; L168-L199 HydrophobicContact CD2-CB 4.17Å; L168-F211 HydrophobicContact CD1-CD2 4.19Å; L168-F211 HydrophobicContact CD1-CG 4.37Å; L168-F211 HydrophobicContact CD2-CB 3.69Å; L168-F211 HydrophobicContact CD2-CG 4.33Å; L168-L228 HydrophobicContact CB-CD1 4.32Å
169	E	96.1	Very high	95.3	Very high	135 Å²	135	65.6 Å²	65.6	63%	0.631	34%	0.338	S	S	*	.	H	α-helix	trans	-66.3	-38.6	175.7	-174.1	173.5	-162.4	0	0	111.8	A165 R166 L171 T172	A165-E169 WeakPolarHBondContact O-CB 3.45Å; A165-E169 PolarHBondContact O-N 3.43Å; R166-E169 PolarHBondContact O-N 3.15Å; E169-L171 PolarHBondContact O-N 3.24Å; E169-T172 WeakPolarHBondContact O-CB 3.38Å; E169-T172 WeakPolarHBondContact O-CG2 3.26Å; E169-T172 PolarHBondContact O-N 2.92Å; E169-T172 VanDerWaalsContact O-N 3.14Å; E169-T172 PolarHBondContact O-OG1 3Å
170	T	96.9	Very high	95.5	Very high	95 Å²	95	57.8 Å²	57.8	58%	0.583	30%	0.303	S	S	*	.	H	α-helix	trans	-61	-27.8	174.3	-54.8	0	0	0	0	112.1	R166 A167 T172 L231	R166-T170 WeakPolarHBondContact O-CB 3.47Å; R166-T170 PolarHBondContact O-N 2.91Å; R166-T170 PolarHBondContact O-OG1 2.86Å; A167-T170 PolarHBondContact O-N 3.49Å; T170-T172 VanDerWaalsContact C-N 3.26Å; T170-T172 PolarHBondContact O-N 3.21Å; T170-L231 HydrophobicContact CG2-CD2 4.06Å
171	L	96.8	Very high	95.4	Very high	19 Å²	19	62.8 Å²	62.8	10%	0.099	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	38.4	176.7	-63.9	172.8	0	0	0	111.8	A167 L168 E169 L175 I194 L224 H227 L228 L231	A167-L171 PolarHBondContact O-N 2.95Å; L168-L171 CarbonylContact O-C 3.51Å; L168-L171 PolarHBondContact O-N 2.9Å; E169-L171 PolarHBondContact O-N 3.24Å; L171-L175 HydrophobicContact CB-CD1 4.17Å; L171-L175 HydrophobicContact CD2-CD1 4.43Å; L171-L175 HydrophobicContact CD2-CD2 4.22Å; L171-L175 WeakPolarHBondContact O-CD1 3.27Å; L171-I194 WeakPolarHBondContact O-CD1 3.45Å; L171-L224 HydrophobicContact CB-CD1 3.84Å; L171-L224 HydrophobicContact CD1-CD1 3.94Å; L171-L224 HydrophobicContact CG-CD1 4.44Å; L171-H227 HydrophobicContact CD1-CB 4.16Å; L171-H227 HydrophobicContact CD2-CB 4.45Å; L171-L228 HydrophobicContact CD1-CB 4.08Å; L171-L228 HydrophobicContact CD1-CD1 4.03Å; L171-L231 HydrophobicContact CG-CD2 4.35Å
172	T	97.3	Very high	95.1	Very high	56 Å²	56	65.7 Å²	65.7	34%	0.344	34%	0.343	S	S	.	.			trans	-108.2	161.4	168.6	60.7	0	0	0	0	111.1	E169 T170 I194 S197	E169-T172 WeakPolarHBondContact O-CB 3.38Å; E169-T172 WeakPolarHBondContact O-CG2 3.26Å; E169-T172 PolarHBondContact O-N 2.92Å; E169-T172 VanDerWaalsContact O-N 3.14Å; E169-T172 PolarHBondContact O-OG1 3Å; T170-T172 VanDerWaalsContact C-N 3.26Å; T170-T172 PolarHBondContact O-N 3.21Å; T172-I194 HydrophobicContact CG2-CG2 4.32Å; T172-S197 WeakPolarHBondContact CG2-OG 3.41Å
173	G	97.4	Very high	94.7	Very high	29 Å²	29	60.8 Å²	60.8	30%	0.299	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	82.5	-153.6	-175.5	0	0	0	0	0	113.3	L175 T193 I194	G173-L175 PolarHBondContact O-N 3.42Å; G173-T193 CarbonylContact O-C 3.5Å; G173-T193 VanDerWaalsContact O-CA 3.3Å; G173-T193 WeakPolarHBondContact O-CA 3.31Å; G173-I194 WeakPolarHBondContact CA-O 3.15Å; G173-I194 PolarHBondContact N-O 2.81Å; G173-I194 PolarHBondContact O-N 2.85Å
174	A	97.5	Very high	94.1	Very high	72 Å²	72	63.9 Å²	63.9	60%	0.595	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	108.1	-173.6	0	0	0	0	0	111.3	V191	A174-V191 HydrophobicContact CB-CG1 3.8Å
175	L	97	Very high	93.8	Very high	21 Å²	21	66.9 Å²	66.9	11%	0.11	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	142.7	-175.7	-61.7	179.7	0	0	0	112.8	L171 G173 V191 R192 I194 L224	L171-L175 HydrophobicContact CB-CD1 4.17Å; L171-L175 HydrophobicContact CD2-CD1 4.43Å; L171-L175 HydrophobicContact CD2-CD2 4.22Å; L171-L175 WeakPolarHBondContact O-CD1 3.27Å; G173-L175 PolarHBondContact O-N 3.42Å; L175-V191 CarbonylContact O-C 3.54Å; L175-V191 VanDerWaalsContact O-CA 3.31Å; L175-V191 WeakPolarHBondContact O-CA 3.04Å; L175-R192 PolarHBondContact N-O 3.05Å; L175-R192 PolarHBondContact O-N 3.42Å; L175-I194 HydrophobicContact CD1-CD1 3.66Å; L175-I194 HydrophobicContact CD1-CG1 4.16Å; L175-L224 HydrophobicContact CD1-CD1 4.37Å
176	F	97.2	Very high	93.5	Very high	136 Å²	136	72.7 Å²	72.7	60%	0.596	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.4	127.7	165.5	-69.6	-74.5	0	0	0	110.4	L189 V191 H227	F176-L189 HydrophobicContact CB-CD1 4.17Å; F176-L189 HydrophobicContact CD1-CD1 4.45Å; F176-L189 HydrophobicContact CD1-CD2 3.99Å; F176-L189 HydrophobicContact CD1-CG 4.11Å; F176-V191 HydrophobicContact CD1-CG2 4.02Å; F176-V191 HydrophobicContact CE1-CG2 3.81Å; F176-V191 HydrophobicContact CZ-CG2 4.48Å; F176-H227 PolarHBondContact O-CE1 3.25Å; F176-H227 VanDerWaalsContact O-CE1 3.29Å
177	Q	96.2	Very high	93.4	Very high	1 Å²	1	70.5 Å²	70.5	1%	0.005	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	141.2	172.1	-67.2	-165.7	-13.7	0	0	110.4	R190 T223	Q177-R190 PolarHBondContact N-O 3.49Å; Q177-R190 WeakPolarHBondContact O-CG 3.47Å; Q177-R190 PolarHBondContact O-N 3.12Å; Q177-R190 VanDerWaalsContact O-O 3.13Å; Q177-T223 HydrophobicContact CB-CG2 4.45Å; Q177-T223 HydrophobicContact CG-CG2 4.35Å
178	R	94.8	Very high	93.3	Very high	127 Å²	127	75.4 Å²	75.4	48%	0.479	41%	0.406	S	S	.	.			trans	-108.4	130.5	162.8	-169.7	173.7	-176.9	-173.5	-3	107.7	R187 L189	R178-R187 HydrophobicContact CG-CG 3.79Å; R178-L189 HydrophobicContact CB-CD1 4.47Å
179	P	94.2	Very high	93.3	Very high	1 Å²	1	80.8 Å²	80.8	1%	0.006	43%	0.434	C	S	.	.			trans	-51.4	148	173.9	-28.1	34.9	0	0	0	112.1	A183 V185 R187 Q188 Y220	P179-A183 HydrophobicContact CB-CB 4.05Å; P179-V185 HydrophobicContact CB-CG2 4.27Å; P179-V185 HydrophobicContact CG-CG2 4.06Å; P179-R187 HydrophobicContact CB-CG 4.4Å; P179-R187 WeakPolarHBondContact O-CD 3.27Å; P179-R187 VanDerWaalsContact O-CG 3.26Å; P179-R187 WeakPolarHBondContact O-CG 3.46Å; P179-R187 PolarHBondContact O-NE 3.41Å; P179-R187 VanDerWaalsContact O-NE 3.1Å; P179-Q188 WeakPolarHBondContact CD-O 3.48Å; P179-Y220 HydrophobicContact CB-CD2 4.26Å; P179-Y220 HydrophobicContact CB-CE2 3.58Å; P179-Y220 HydrophobicContact CG-CE2 3.91Å
180	P	91.1	Very high	93.3	Very high	22 Å²	22	76.7 Å²	76.7	14%	0.143	41%	0.413	C	S	.	.			trans	-64.6	171.2	173.2	28.4	-34	0	0	0	111.1	I182 A183 Y220	P180-I182 VanDerWaalsContact C-N 3.3Å; P180-I182 PolarHBondContact O-N 3.3Å; P180-A183 HydrophobicContact CG-CB 4.37Å; P180-Y220 HydrophobicContact CG-CD1 3.94Å; P180-Y220 HydrophobicContact CG-CE1 3.97Å; P180-Y220 HydrophobicContact CG-CG 4.4Å
181	L	89.2	Confident	93.3	Very high	147 Å²	147	75.4 Å²	75.4	77%	0.77	40%	0.404	S	S	*	.	S	Bend	trans	-58.9	-42.3	178.6	-69.1	172.6	0	0	0	112
182	I	85.6	Confident	93.3	Very high	145 Å²	145	77.2 Å²	77.2	74%	0.744	41%	0.41	S	S	*	.	S	Bend	trans	-96.3	97.4	177.2	-54.7	172.6	0	0	0	107.7	P180	P180-I182 VanDerWaalsContact C-N 3.3Å; P180-I182 PolarHBondContact O-N 3.3Å
183	A	85.9	Confident	93.3	Very high	36 Å²	36	76.5 Å²	76.5	30%	0.298	41%	0.406	S	S	.	.			trans	-147.5	148.7	180	0	0	0	0	0	110.6	P179 P180 V185 Y220	P179-A183 HydrophobicContact CB-CB 4.05Å; P180-A183 HydrophobicContact CG-CB 4.37Å; A183-V185 HydrophobicContact CB-CG2 4.38Å; A183-V185 PolarHBondContact O-N 3.3Å; A183-Y220 WeakPolarHBondContact CB-OH 3.24Å
184	A	82.9	Confident	93.4	Very high	97 Å²	97	75.2 Å²	75.2	80%	0.802	39%	0.392	S	S	*	.	S	Bend	trans	-75.5	-0.7	175.2	0	0	0	0	0	113.9
185	V	88.3	Confident	93.4	Very high	65 Å²	65	78 Å²	78	39%	0.394	39%	0.388	S	S	.	.	S	Bend	trans	-129.2	152	-173.2	-63	0	0	0	0	110.7	P179 A183 R187 Y220	P179-V185 HydrophobicContact CB-CG2 4.27Å; P179-V185 HydrophobicContact CG-CG2 4.06Å; A183-V185 HydrophobicContact CB-CG2 4.38Å; A183-V185 PolarHBondContact O-N 3.3Å; V185-R187 PolarHBondContact O-N 3.29Å; V185-Y220 HydrophobicContact CG2-CE2 4.43Å; V185-Y220 WeakPolarHBondContact CG2-OH 3.33Å
186	K	90.4	Very high	93.4	Very high	157 Å²	157	82.4 Å²	82.4	68%	0.683	41%	0.408	S	S	*	.			trans	-56.8	134	179.3	-168.5	178.5	179.7	-177.5	0	110.9	Q188	K186-Q188 HydrophobicContact CD-CG 4.23Å; K186-Q188 HydrophobicContact CG-CG 4.17Å; K186-Q188 PolarHBondContact O-N 2.67Å
187	R	92.9	Very high	93.4	Very high	110 Å²	110	77 Å²	77	42%	0.415	39%	0.387	S	S	.	.			trans	-78.7	77.2	-175.7	-167.8	176.4	174.7	-133.6	-0.6	112.4	R178 P179 V185	R178-R187 HydrophobicContact CG-CG 3.79Å; P179-R187 HydrophobicContact CB-CG 4.4Å; P179-R187 WeakPolarHBondContact O-CD 3.27Å; P179-R187 VanDerWaalsContact O-CG 3.26Å; P179-R187 WeakPolarHBondContact O-CG 3.46Å; P179-R187 PolarHBondContact O-NE 3.41Å; P179-R187 VanDerWaalsContact O-NE 3.1Å; V185-R187 PolarHBondContact O-N 3.29Å
188	Q	94.6	Very high	93.5	Very high	109 Å²	109	83.5 Å²	83.5	51%	0.509	42%	0.415	S	S	.	.			trans	-119.1	152.3	176.7	-70.6	174	-41.5	0	0	111.2	P179 K186	P179-Q188 WeakPolarHBondContact CD-O 3.48Å; K186-Q188 HydrophobicContact CD-CG 4.23Å; K186-Q188 HydrophobicContact CG-CG 4.17Å; K186-Q188 PolarHBondContact O-N 2.67Å
189	L	96.3	Very high	93.6	Very high	116 Å²	116	78.7 Å²	78.7	61%	0.607	40%	0.399	S	S	*	.			trans	-65.4	134.9	174.3	-168.6	69.2	0	0	0	109.4	F176 R178	F176-L189 HydrophobicContact CB-CD1 4.17Å; F176-L189 HydrophobicContact CD1-CD1 4.45Å; F176-L189 HydrophobicContact CD1-CD2 3.99Å; F176-L189 HydrophobicContact CD1-CG 4.11Å; R178-L189 HydrophobicContact CB-CD1 4.47Å
190	R	96.3	Very high	93.8	Very high	50 Å²	50	82.9 Å²	82.9	19%	0.189	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	157.6	-179.9	62.7	-173.5	-172.6	-168.8	8.3	110.9	Q177 G218	Q177-R190 PolarHBondContact N-O 3.49Å; Q177-R190 WeakPolarHBondContact O-CG 3.47Å; Q177-R190 PolarHBondContact O-N 3.12Å; Q177-R190 VanDerWaalsContact O-O 3.13Å; R190-G218 PolarHBondContact NH2-O 3.36Å
191	V	97.1	Very high	94	Very high	67 Å²	67	87 Å²	87	41%	0.406	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	134.7	174	-177.7	0	0	0	0	109.4	A174 L175 F176	A174-V191 HydrophobicContact CB-CG1 3.8Å; L175-V191 CarbonylContact O-C 3.54Å; L175-V191 VanDerWaalsContact O-CA 3.31Å; L175-V191 WeakPolarHBondContact O-CA 3.04Å; F176-V191 HydrophobicContact CD1-CG2 4.02Å; F176-V191 HydrophobicContact CE1-CG2 3.81Å; F176-V191 HydrophobicContact CZ-CG2 4.48Å
192	R	97.4	Very high	94.3	Very high	57 Å²	57	80.8 Å²	80.8	22%	0.215	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	139.8	172.3	-76.1	-64.2	178.1	-89.2	9.6	110.1	L175 E216 A217	L175-R192 PolarHBondContact N-O 3.05Å; L175-R192 PolarHBondContact O-N 3.42Å; R192-E216 WeakPolarHBondContact CA-OE2 3.46Å; R192-E216 WeakPolarHBondContact CD-OE2 3.48Å; R192-E216 IonicContact NE-OE1 2.81Å; R192-A217 PolarHBondContact NE-O 3.13Å; R192-A217 VanDerWaalsContact NE-O 3.08Å
193	T	97.9	Very high	94.8	Very high	42 Å²	42	75.8 Å²	75.8	26%	0.258	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	129.1	-176.7	-56.3	0	0	0	0	111.8	G173 Y195 E216	G173-T193 CarbonylContact O-C 3.5Å; G173-T193 VanDerWaalsContact O-CA 3.3Å; G173-T193 WeakPolarHBondContact O-CA 3.31Å; T193-Y195 HydrophobicContact CG2-CD1 3.82Å; T193-Y195 HydrophobicContact CG2-CE1 3.93Å; T193-E216 PolarHBondContact N-OE2 3Å; T193-E216 VanDerWaalsContact N-OE2 3.1Å; T193-E216 WeakPolarHBondContact O-CB 3.34Å; T193-E216 PolarHBondContact O-N 3.13Å
194	I	98.3	Very high	95.1	Very high	1 Å²	1	77.4 Å²	77.4	1%	0.005	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	117.3	160.3	-67.8	-178	0	0	0	106.6	L171 T172 G173 L175 V213 S214 C215 T219 L224	L171-I194 WeakPolarHBondContact O-CD1 3.45Å; T172-I194 HydrophobicContact CG2-CG2 4.32Å; G173-I194 WeakPolarHBondContact CA-O 3.15Å; G173-I194 PolarHBondContact N-O 2.81Å; G173-I194 PolarHBondContact O-N 2.85Å; L175-I194 HydrophobicContact CD1-CD1 3.66Å; L175-I194 HydrophobicContact CD1-CG1 4.16Å; I194-V213 HydrophobicContact CD1-CG2 4.15Å; I194-V213 HydrophobicContact CG1-CG2 4.32Å; I194-V213 HydrophobicContact CG2-CG2 3.66Å; I194-S214 CarbonylContact C-O 3.49Å; I194-C215 HydrophobicContact CG1-CB 4.2Å; I194-T219 HydrophobicContact CD1-CG2 4.47Å; I194-T219 HydrophobicContact CG1-CG2 4.15Å; I194-L224 HydrophobicContact CD1-CD1 3.61Å; I194-L224 HydrophobicContact CD1-CD2 3.68Å; I194-L224 HydrophobicContact CD1-CG 4.21Å
195	Y	97.5	Very high	95.6	Very high	132 Å²	132	80.9 Å²	80.9	52%	0.518	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	-42.7	-177.7	-55.4	-58.6	0	0	0	111	T193 S214 E216	T193-Y195 HydrophobicContact CG2-CD1 3.82Å; T193-Y195 HydrophobicContact CG2-CE1 3.93Å; Y195-S214 PolarHBondContact N-O 3.39Å; Y195-E216 HydrophobicContact CE2-CB 4.47Å; Y195-E216 VanDerWaalsContact CE2-N 3.33Å
196	E	97.9	Very high	95.9	Very high	113 Å²	113	85.8 Å²	85.8	53%	0.528	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	147.2	-176.8	-162.7	-175.2	168.8	0	0	109.2	W212 S214	E196-W212 HydrophobicContact CB-CH2 3.98Å; E196-W212 HydrophobicContact CB-CZ3 3.73Å; E196-W212 HydrophobicContact CG-CH2 4.22Å; E196-W212 HydrophobicContact CG-CZ3 3.7Å; E196-W212 WeakPolarHBondContact OE2-CH2 3.44Å; E196-S214 PolarHBondContact N-O 2.99Å; E196-S214 PolarHBondContact O-N 2.72Å
197	S	97.4	Very high	96.1	Very high	22 Å²	22	82 Å²	82	15%	0.154	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	147.9	172.8	62.5	0	0	0	0	109.6	L168 T172 W212	L168-S197 PolarHBondContact O-OG 3.25Å; T172-S197 WeakPolarHBondContact CG2-OG 3.41Å; S197-W212 CarbonylContact C-O 3.57Å; S197-W212 WeakPolarHBondContact CA-O 3.5Å
198	K	97.6	Very high	96.3	Very high	137 Å²	137	78.8 Å²	78.8	60%	0.596	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.8	126.9	179.2	-177	175.2	179.8	-179.5	0	109.9	F211 W212	K198-F211 CarbonylContact O-C 3.59Å; K198-F211 VanDerWaalsContact O-CA 3.27Å; K198-F211 WeakPolarHBondContact O-CA 3.45Å; K198-F211 WeakPolarHBondContact O-CB 3.26Å; K198-W212 HydrophobicContact CB-CE3 4.07Å; K198-W212 PolarHBondContact N-O 3.05Å; K198-W212 PolarHBondContact O-N 3.22Å
199	L	97.6	Very high	96.4	Very high	27 Å²	27	73.6 Å²	73.6	14%	0.141	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	133.1	168.2	-171.4	66.7	0	0	0	108.9	E161 L164 A165 L168 I210 F211	E161-L199 HydrophobicContact CG-CD2 3.47Å; E161-L199 VanDerWaalsContact CG-CD2 3.47Å; L164-L199 HydrophobicContact CB-CD2 4.19Å; L164-L199 HydrophobicContact CD2-CD1 3.66Å; L164-L199 HydrophobicContact CD2-CD2 4.21Å; L164-L199 HydrophobicContact CG-CD1 4.03Å; L164-L199 HydrophobicContact CG-CD2 4.21Å; A165-L199 HydrophobicContact CB-CB 4.4Å; A165-L199 HydrophobicContact CB-CD2 3.86Å; L168-L199 HydrophobicContact CD2-CB 4.17Å; L199-I210 WeakPolarHBondContact CD1-O 3.38Å; L199-F211 HydrophobicContact CD1-CB 4.42Å
200	I	97	Very high	96.5	Very high	89 Å²	89	70.2 Å²	70.2	46%	0.456	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	-49.9	179.9	-62	174.1	0	0	0	109.5	V149 I210 W212	V149-I200 HydrophobicContact CG1-CD1 4.39Å; I200-I210 HydrophobicContact CB-CB 4.31Å; I200-I210 HydrophobicContact CB-CG2 4.19Å; I200-I210 WeakPolarHBondContact CB-O 3.3Å; I200-I210 HydrophobicContact CD1-CG2 4.1Å; I200-I210 PolarHBondContact N-O 3.43Å; I200-W212 HydrophobicContact CD1-CB 4.12Å
201	E	96.1	Very high	96.6	Very high	109 Å²	109	68 Å²	68	51%	0.509	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	148.1	-175.3	-170.8	178.2	156.5	0	0	109.8	G209 I210	E201-G209 CarbonylContact O-C 3.55Å; E201-G209 WeakPolarHBondContact O-CA 3.19Å; E201-I210 HydrophobicContact CB-CB 4.45Å; E201-I210 HydrophobicContact CB-CD1 4.46Å; E201-I210 PolarHBondContact N-O 2.85Å; E201-I210 PolarHBondContact O-N 2.91Å
202	Y	96.4	Very high	96.7	Very high	15 Å²	15	67.1 Å²	67.1	6%	0.059	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	126	168.5	177.6	-116.4	0	0	0	110.8	L154 I158 E161 L164 P204 L208	L154-Y202 HydrophobicContact CD1-CE2 3.94Å; I158-Y202 HydrophobicContact CD1-CD1 4.44Å; I158-Y202 HydrophobicContact CD1-CE1 3.87Å; I158-Y202 HydrophobicContact CD1-CE2 4.34Å; I158-Y202 HydrophobicContact CG1-CE1 3.57Å; I158-Y202 HydrophobicContact CG1-CE2 4.32Å; I158-Y202 VanDerWaalsContact CG1-CZ 3.44Å; I158-Y202 WeakPolarHBondContact CG1-OH 3.4Å; E161-Y202 HydrophobicContact CB-CD1 4.2Å; L164-Y202 HydrophobicContact CD2-CD2 3.51Å; L164-Y202 HydrophobicContact CD2-CE2 4.22Å; L164-Y202 HydrophobicContact CD2-CG 3.9Å; Y202-P204 HydrophobicContact CD1-CG 4.05Å; Y202-P204 HydrophobicContact CE1-CB 4.01Å; Y202-P204 HydrophobicContact CE1-CG 3.76Å; Y202-P204 WeakPolarHBondContact O-CD 3.37Å; Y202-L208 WeakPolarHBondContact CA-O 3.34Å; Y202-L208 VanDerWaalsContact CD2-O 3.29Å; Y202-L208 WeakPolarHBondContact CD2-O 3.31Å
203	D	95.1	Very high	96.7	Very high	40 Å²	40	64.4 Å²	64.4	21%	0.214	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	109.7	172.4	-179	-24.9	0	0	0	109.3	E205 R206 R207 L208	D203-E205 PolarHBondContact OD1-N 2.92Å; D203-R206 HydrophobicContact CB-CB 4.25Å; D203-R206 PolarHBondContact OD1-N 3.14Å; D203-R206 WeakPolarHBondContact OD2-CD 3.44Å; D203-R206 WeakPolarHBondContact OD2-CG 3.43Å; D203-R206 IonicContact OD2-NE 3.45Å; D203-R206 PolarHBondContact OD2-NE 3Å; D203-R207 VanDerWaalsContact O-CA 3.26Å; D203-R207 WeakPolarHBondContact O-CA 3.38Å; D203-R207 PolarHBondContact O-N 2.97Å; D203-L208 PolarHBondContact N-O 3.2Å; D203-L208 PolarHBondContact O-N 3.04Å; D203-L208 VanDerWaalsContact O-N 3.1Å
204	P	92.4	Very high	96.7	Very high	71 Å²	71	63 Å²	63	46%	0.461	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-36	179.1	-20.9	32.5	0	0	0	114.2	Y202 R207	Y202-P204 HydrophobicContact CD1-CG 4.05Å; Y202-P204 HydrophobicContact CE1-CB 4.01Å; Y202-P204 HydrophobicContact CE1-CG 3.76Å; Y202-P204 WeakPolarHBondContact O-CD 3.37Å; P204-R207 WeakPolarHBondContact O-CG 3.44Å; P204-R207 PolarHBondContact O-N 3.12Å
205	E	92.4	Very high	96.7	Very high	169 Å²	169	63 Å²	63	79%	0.79	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-45.9	-176.7	-63.4	-173.3	173.3	0	0	110.3	D203 R207	D203-E205 PolarHBondContact OD1-N 2.92Å; E205-R207 VanDerWaalsContact C-N 3.3Å; E205-R207 PolarHBondContact O-NH1 3.38Å; E205-R207 VanDerWaalsContact O-NH1 3.09Å
206	R	94.6	Very high	96.7	Very high	169 Å²	169	59.5 Å²	59.5	64%	0.638	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-16.3	177.3	-62	-175.1	-173.2	-161.6	-2.4	112.9	D203 L208	D203-R206 HydrophobicContact CB-CB 4.25Å; D203-R206 PolarHBondContact OD1-N 3.14Å; D203-R206 WeakPolarHBondContact OD2-CD 3.44Å; D203-R206 WeakPolarHBondContact OD2-CG 3.43Å; D203-R206 IonicContact OD2-NE 3.45Å; D203-R206 PolarHBondContact OD2-NE 3Å; R206-L208 VanDerWaalsContact C-N 3.27Å; R206-L208 HydrophobicContact CB-CB 4.37Å; R206-L208 HydrophobicContact CB-CD1 3.96Å; R206-L208 HydrophobicContact CB-CG 4Å; R206-L208 PolarHBondContact O-N 2.94Å
207	R	95.8	Very high	96.5	Very high	76 Å²	76	55 Å²	55	29%	0.287	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	39.4	-174.8	-56	174.8	-67.3	-73.9	7.9	111.7	R153 L154 N156 A157 D203 P204 E205	R153-R207 WeakPolarHBondContact CA-O 3.3Å; L154-R207 HydrophobicContact CB-CB 4.34Å; L154-R207 PolarHBondContact N-O 3.25Å; N156-R207 VanDerWaalsContact C-CD 3.46Å; A157-R207 HydrophobicContact CB-CG 4.44Å; D203-R207 VanDerWaalsContact O-CA 3.26Å; D203-R207 WeakPolarHBondContact O-CA 3.38Å; D203-R207 PolarHBondContact O-N 2.97Å; P204-R207 WeakPolarHBondContact O-CG 3.44Å; P204-R207 PolarHBondContact O-N 3.12Å; E205-R207 VanDerWaalsContact C-N 3.3Å; E205-R207 PolarHBondContact O-NH1 3.38Å; E205-R207 VanDerWaalsContact O-NH1 3.09Å
208	L	97	Very high	96.3	Very high	44 Å²	44	55.8 Å²	55.8	23%	0.23	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	128.6	-177.4	-67.1	176	0	0	0	110.1	I151 V152 R153 Y202 D203 R206 Q239	I151-L208 HydrophobicContact CG2-CB 4.26Å; I151-L208 HydrophobicContact CG2-CD2 3.89Å; I151-L208 HydrophobicContact CG2-CG 4.5Å; V152-L208 WeakPolarHBondContact O-CA 3.49Å; R153-L208 HydrophobicContact CB-CD2 3.69Å; R153-L208 HydrophobicContact CG-CD2 3.82Å; Y202-L208 WeakPolarHBondContact CA-O 3.34Å; Y202-L208 VanDerWaalsContact CD2-O 3.29Å; Y202-L208 WeakPolarHBondContact CD2-O 3.31Å; D203-L208 PolarHBondContact N-O 3.2Å; D203-L208 PolarHBondContact O-N 3.04Å; D203-L208 VanDerWaalsContact O-N 3.1Å; R206-L208 VanDerWaalsContact C-N 3.27Å; R206-L208 HydrophobicContact CB-CB 4.37Å; R206-L208 HydrophobicContact CB-CD1 3.96Å; R206-L208 HydrophobicContact CB-CG 4Å; R206-L208 PolarHBondContact O-N 2.94Å; L208-Q239 HydrophobicContact CD2-CB 4.4Å; L208-Q239 HydrophobicContact CD2-CG 4.28Å
209	G	97	Very high	96.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	130.4	171.9	0	0	0	0	0	110.7	I151 V152 E201	I151-G209 CarbonylContact C-O 3.56Å; I151-G209 WeakPolarHBondContact CA-O 3.35Å; V152-G209 WeakPolarHBondContact CG1-O 3.37Å; V152-G209 PolarHBondContact N-O 3.16Å; V152-G209 PolarHBondContact O-N 2.93Å; E201-G209 CarbonylContact O-C 3.55Å; E201-G209 WeakPolarHBondContact O-CA 3.19Å
210	I	98	Very high	96.2	Very high	45 Å²	45	50.3 Å²	50.3	23%	0.231	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	127.6	175	-51.4	-179.8	0	0	0	108	V149 G150 I151 L199 I200 E201	V149-I210 HydrophobicContact CG1-CG2 3.95Å; G150-I210 WeakPolarHBondContact O-CA 3.47Å; I151-I210 HydrophobicContact CG1-CG1 4.29Å; L199-I210 WeakPolarHBondContact CD1-O 3.38Å; I200-I210 HydrophobicContact CB-CB 4.31Å; I200-I210 HydrophobicContact CB-CG2 4.19Å; I200-I210 WeakPolarHBondContact CB-O 3.3Å; I200-I210 HydrophobicContact CD1-CG2 4.1Å; I200-I210 PolarHBondContact N-O 3.43Å; E201-I210 HydrophobicContact CB-CB 4.45Å; E201-I210 HydrophobicContact CB-CD1 4.46Å; E201-I210 PolarHBondContact N-O 2.85Å; E201-I210 PolarHBondContact O-N 2.91Å
211	F	98.1	Very high	96.2	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.009	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	150	179.6	64.8	-85.2	0	0	0	112	V149 G150 V152 L168 K198 L199 V213 I221 L224	V149-F211 CarbonylContact C-O 3.58Å; V149-F211 WeakPolarHBondContact CA-O 3.3Å; G150-F211 PolarHBondContact N-O 2.75Å; G150-F211 WeakPolarHBondContact O-CD1 3.41Å; G150-F211 PolarHBondContact O-N 2.92Å; V152-F211 HydrophobicContact CB-CE1 4.03Å; V152-F211 HydrophobicContact CG1-CD1 4.25Å; V152-F211 HydrophobicContact CG1-CE1 4.18Å; L168-F211 HydrophobicContact CD1-CD2 4.19Å; L168-F211 HydrophobicContact CD1-CG 4.37Å; L168-F211 HydrophobicContact CD2-CB 3.69Å; L168-F211 HydrophobicContact CD2-CG 4.33Å; K198-F211 CarbonylContact O-C 3.59Å; K198-F211 VanDerWaalsContact O-CA 3.27Å; K198-F211 WeakPolarHBondContact O-CA 3.45Å; K198-F211 WeakPolarHBondContact O-CB 3.26Å; L199-F211 HydrophobicContact CD1-CB 4.42Å; F211-V213 HydrophobicContact CD2-CB 4.25Å; F211-V213 HydrophobicContact CD2-CG1 4.34Å; F211-V213 HydrophobicContact CE2-CB 4.29Å; F211-V213 HydrophobicContact CE2-CG1 3.99Å; F211-I221 HydrophobicContact CE2-CG2 4.11Å; F211-I221 HydrophobicContact CZ-CG2 3.88Å; F211-L224 HydrophobicContact CE2-CD2 3.99Å; F211-L224 HydrophobicContact CZ-CD2 4.46Å
212	W	98.5	Very high	96.1	Very high	49 Å²	49	45.9 Å²	45.9	19%	0.186	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	145.3	166.9	171.8	92.9	0	0	0	110.1	E147 Y148 V149 E196 S197 K198 I200	E147-W212 HydrophobicContact CG-CZ2 4.08Å; E147-W212 PolarHBondContact OE2-NE1 2.86Å; Y148-W212 CarbonylContact O-C 3.52Å; Y148-W212 WeakPolarHBondContact O-CA 3.38Å; V149-W212 HydrophobicContact CG2-CB 4.35Å; E196-W212 HydrophobicContact CB-CH2 3.98Å; E196-W212 HydrophobicContact CB-CZ3 3.73Å; E196-W212 HydrophobicContact CG-CH2 4.22Å; E196-W212 HydrophobicContact CG-CZ3 3.7Å; E196-W212 WeakPolarHBondContact OE2-CH2 3.44Å; S197-W212 CarbonylContact C-O 3.57Å; S197-W212 WeakPolarHBondContact CA-O 3.5Å; K198-W212 HydrophobicContact CB-CE3 4.07Å; K198-W212 PolarHBondContact N-O 3.05Å; K198-W212 PolarHBondContact O-N 3.22Å; I200-W212 HydrophobicContact CD1-CB 4.12Å
213	V	98.2	Very high	96.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	132.6	179.2	62.7	0	0	0	0	111.5	E147 Y148 I194 F211 I221 L224	E147-V213 CarbonylContact C-O 3.45Å; E147-V213 VanDerWaalsContact CA-O 3.22Å; E147-V213 WeakPolarHBondContact CA-O 3.43Å; Y148-V213 HydrophobicContact CD2-CG1 4.4Å; Y148-V213 PolarHBondContact N-O 2.9Å; Y148-V213 PolarHBondContact O-N 3.31Å; I194-V213 HydrophobicContact CD1-CG2 4.15Å; I194-V213 HydrophobicContact CG1-CG2 4.32Å; I194-V213 HydrophobicContact CG2-CG2 3.66Å; F211-V213 HydrophobicContact CD2-CB 4.25Å; F211-V213 HydrophobicContact CD2-CG1 4.34Å; F211-V213 HydrophobicContact CE2-CB 4.29Å; F211-V213 HydrophobicContact CE2-CG1 3.99Å; V213-I221 HydrophobicContact CG1-CD1 3.72Å; V213-I221 HydrophobicContact CG1-CG1 4.46Å; V213-L224 HydrophobicContact CG2-CD2 4.3Å
214	S	98.3	Very high	96.2	Very high	12 Å²	12	44 Å²	44	8%	0.084	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	124.8	170.1	-178.5	0	0	0	0	109.6	I194 Y195 E196	I194-S214 CarbonylContact C-O 3.49Å; Y195-S214 PolarHBondContact N-O 3.39Å; E196-S214 PolarHBondContact N-O 2.99Å; E196-S214 PolarHBondContact O-N 2.72Å
215	C	97.8	Very high	96.5	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.007	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	160.4	-171.2	68	0	0	0	0	114.3	K146 I194 T219	K146-C215 PolarHBondContact N-O 3.2Å; K146-C215 PolarHBondContact O-N 2.76Å; I194-C215 HydrophobicContact CG1-CB 4.2Å; C215-T219 HydrophobicContact CB-CG2 3.95Å
216	E	97.1	Very high	96.7	Very high	59 Å²	59	35.6 Å²	35.6	28%	0.276	17%	0.171	S	C	.	.			trans	-61	153	170.7	-164.1	-164.1	156.2	0	0	111	R192 T193 Y195 G218 T219	R192-E216 WeakPolarHBondContact CA-OE2 3.46Å; R192-E216 WeakPolarHBondContact CD-OE2 3.48Å; R192-E216 IonicContact NE-OE1 2.81Å; T193-E216 PolarHBondContact N-OE2 3Å; T193-E216 VanDerWaalsContact N-OE2 3.1Å; T193-E216 WeakPolarHBondContact O-CB 3.34Å; T193-E216 PolarHBondContact O-N 3.13Å; Y195-E216 HydrophobicContact CE2-CB 4.47Å; Y195-E216 VanDerWaalsContact CE2-N 3.33Å; E216-G218 PolarHBondContact O-N 3.26Å; E216-T219 WeakPolarHBondContact O-CB 3.22Å; E216-T219 PolarHBondContact O-N 2.85Å; E216-T219 PolarHBondContact O-OG1 3.45Å
217	A	94.6	Very high	96.8	Very high	18 Å²	18	30.1 Å²	30.1	15%	0.149	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	132	173.4	0	0	0	0	0	112.5	Q142 S143 R192	Q142-A217 VanDerWaalsContact O-CB 3.23Å; Q142-A217 WeakPolarHBondContact O-CB 3.45Å; S143-A217 WeakPolarHBondContact O-CB 3.45Å; R192-A217 PolarHBondContact NE-O 3.13Å; R192-A217 VanDerWaalsContact NE-O 3.08Å
218	G	92.9	Very high	96.9	Very high	39 Å²	39	26.6 Å²	26.6	40%	0.402	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	6.3	179.7	0	0	0	0	0	114.7	R190 E216	R190-G218 PolarHBondContact NH2-O 3.36Å; E216-G218 PolarHBondContact O-N 3.26Å
219	T	96.1	Very high	96.9	Very high	9 Å²	9	24.5 Å²	24.5	6%	0.055	13%	0.129	C	C	.	.			trans	-65	128.7	164.2	-54.2	0	0	0	0	109.7	I194 C215 E216 I221	I194-T219 HydrophobicContact CD1-CG2 4.47Å; I194-T219 HydrophobicContact CG1-CG2 4.15Å; C215-T219 HydrophobicContact CB-CG2 3.95Å; E216-T219 WeakPolarHBondContact O-CB 3.22Å; E216-T219 PolarHBondContact O-N 2.85Å; E216-T219 PolarHBondContact O-OG1 3.45Å; T219-I221 HydrophobicContact CG2-CD1 4.33Å
220	Y	96.2	Very high	96.9	Very high	40 Å²	40	30.4 Å²	30.4	16%	0.157	16%	0.16	C	C	.	.			trans	-94	106.5	177.5	-78.6	-74	0	0	0	110.6	P179 P180 A183 V185 R222 T223 L224	P179-Y220 HydrophobicContact CB-CD2 4.26Å; P179-Y220 HydrophobicContact CB-CE2 3.58Å; P179-Y220 HydrophobicContact CG-CE2 3.91Å; P180-Y220 HydrophobicContact CG-CD1 3.94Å; P180-Y220 HydrophobicContact CG-CE1 3.97Å; P180-Y220 HydrophobicContact CG-CG 4.4Å; A183-Y220 WeakPolarHBondContact CB-OH 3.24Å; V185-Y220 HydrophobicContact CG2-CE2 4.43Å; V185-Y220 WeakPolarHBondContact CG2-OH 3.33Å; Y220-R222 PolarHBondContact O-N 3.15Å; Y220-T223 WeakPolarHBondContact CB-OG1 3.17Å; Y220-T223 WeakPolarHBondContact O-CB 3.48Å; Y220-T223 PolarHBondContact O-N 3.23Å; Y220-L224 PolarHBondContact O-N 2.75Å
221	I	96.8	Very high	96.8	Very high	5 Å²	5	32.7 Å²	32.7	3%	0.026	17%	0.172	C	C	.	.	H	α-helix	trans	-64.7	-29.6	177.7	-50.8	-50.1	0	0	0	111.8	Y148 F211 V213 T219 T223 L224 C225 M238 L241	Y148-I221 HydrophobicContact CD1-CG1 4.49Å; Y148-I221 HydrophobicContact CD2-CD1 3.92Å; Y148-I221 HydrophobicContact CD2-CG1 3.76Å; Y148-I221 HydrophobicContact CE2-CD1 4.35Å; Y148-I221 HydrophobicContact CE2-CG1 4.14Å; Y148-I221 HydrophobicContact CG-CG1 3.96Å; F211-I221 HydrophobicContact CE2-CG2 4.11Å; F211-I221 HydrophobicContact CZ-CG2 3.88Å; V213-I221 HydrophobicContact CG1-CD1 3.72Å; V213-I221 HydrophobicContact CG1-CG1 4.46Å; T219-I221 HydrophobicContact CG2-CD1 4.33Å; I221-T223 VanDerWaalsContact C-N 3.33Å; I221-T223 PolarHBondContact O-N 2.95Å; I221-L224 HydrophobicContact CD1-CD2 4.49Å; I221-L224 WeakPolarHBondContact O-CB 3.47Å; I221-L224 PolarHBondContact O-N 2.67Å; I221-C225 PolarHBondContact O-N 3.42Å; I221-C225 PolarHBondContact O-SG 2.76Å; I221-M238 HydrophobicContact CB-SD 4.43Å; I221-M238 HydrophobicContact CG2-SD 4.43Å; I221-L241 HydrophobicContact CB-CD1 3.95Å; I221-L241 HydrophobicContact CB-CD2 4.01Å; I221-L241 HydrophobicContact CG1-CD1 4.16Å; I221-L241 HydrophobicContact CG1-CD2 4.21Å; I221-L241 HydrophobicContact CG2-CD1 3.59Å
222	R	95.8	Very high	96.7	Very high	100 Å²	100	34.1 Å²	34.1	38%	0.377	18%	0.179	S	C	.	.	H	α-helix	trans	-58.2	-45.5	170.9	-169.1	-170.5	-57.4	-132.8	3.9	112.1	D120 Y220 L224 C225 V226 M238	D120-R222 IonicContact OD2-CZ 2.71Å; D120-R222 IonicContact OD2-NE 2.7Å; D120-R222 IonicContact OD2-NH2 3.95Å; D120-R222 PolarHBondContact OD2-NH2 3.12Å; Y220-R222 PolarHBondContact O-N 3.15Å; R222-L224 VanDerWaalsContact C-N 3.35Å; R222-C225 PolarHBondContact O-N 3.12Å; R222-V226 WeakPolarHBondContact O-CG2 3.46Å; R222-V226 PolarHBondContact O-N 3.39Å; R222-M238 HydrophobicContact CB-CE 4.38Å; R222-M238 HydrophobicContact CB-SD 4.09Å; R222-M238 HydrophobicContact CG-CB 4.36Å
223	T	96.4	Very high	96.6	Very high	15 Å²	15	35.1 Å²	35.1	9%	0.092	21%	0.205	C	C	.	.	H	α-helix	trans	-67.7	-38.1	177.6	-56.3	0	0	0	0	110.8	Q177 Y220 I221 C225 V226 H227	Q177-T223 HydrophobicContact CB-CG2 4.45Å; Q177-T223 HydrophobicContact CG-CG2 4.35Å; Y220-T223 WeakPolarHBondContact CB-OG1 3.17Å; Y220-T223 WeakPolarHBondContact O-CB 3.48Å; Y220-T223 PolarHBondContact O-N 3.23Å; I221-T223 VanDerWaalsContact C-N 3.33Å; I221-T223 PolarHBondContact O-N 2.95Å; T223-C225 VanDerWaalsContact C-N 3.35Å; T223-C225 PolarHBondContact O-N 2.68Å; T223-V226 PolarHBondContact O-N 2.84Å; T223-H227 VanDerWaalsContact CG2-NE2 3.34Å; T223-H227 WeakPolarHBondContact CG2-NE2 3.41Å; T223-H227 PolarHBondContact O-CD2 3.09Å; T223-H227 VanDerWaalsContact O-CD2 3.31Å; T223-H227 VanDerWaalsContact O-CG 3.32Å; T223-H227 PolarHBondContact O-N 2.86Å
224	L	97.1	Very high	96.5	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-57.2	-46	173.3	179.7	65	0	0	0	111.9	L171 L175 I194 F211 V213 Y220 I221 R222 V226 H227 L228	L171-L224 HydrophobicContact CB-CD1 3.84Å; L171-L224 HydrophobicContact CD1-CD1 3.94Å; L171-L224 HydrophobicContact CG-CD1 4.44Å; L175-L224 HydrophobicContact CD1-CD1 4.37Å; I194-L224 HydrophobicContact CD1-CD1 3.61Å; I194-L224 HydrophobicContact CD1-CD2 3.68Å; I194-L224 HydrophobicContact CD1-CG 4.21Å; F211-L224 HydrophobicContact CE2-CD2 3.99Å; F211-L224 HydrophobicContact CZ-CD2 4.46Å; V213-L224 HydrophobicContact CG2-CD2 4.3Å; Y220-L224 PolarHBondContact O-N 2.75Å; I221-L224 HydrophobicContact CD1-CD2 4.49Å; I221-L224 WeakPolarHBondContact O-CB 3.47Å; I221-L224 PolarHBondContact O-N 2.67Å; R222-L224 VanDerWaalsContact C-N 3.35Å; L224-V226 VanDerWaalsContact C-N 3.31Å; L224-V226 PolarHBondContact O-N 3.29Å; L224-H227 PolarHBondContact O-N 3.2Å; L224-L228 WeakPolarHBondContact O-CB 3.18Å; L224-L228 PolarHBondContact O-N 2.58Å
225	C	97.3	Very high	96.4	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.2	-37.6	178	-63.6	0	0	0	0	112.5	V152 I221 R222 T223 G229 M238	V152-C225 HydrophobicContact CB-CB 4.47Å; V152-C225 HydrophobicContact CG2-CB 4.04Å; I221-C225 PolarHBondContact O-N 3.42Å; I221-C225 PolarHBondContact O-SG 2.76Å; R222-C225 PolarHBondContact O-N 3.12Å; T223-C225 VanDerWaalsContact C-N 3.35Å; T223-C225 PolarHBondContact O-N 2.68Å; C225-G229 PolarHBondContact O-N 3.25Å; C225-G229 VanDerWaalsContact O-N 3.1Å; C225-M238 HydrophobicContact CB-CB 3.99Å
226	V	97.2	Very high	96.4	Very high	63 Å²	63	37.2 Å²	37.2	38%	0.382	22%	0.221	S	C	.	.	H	α-helix	trans	-66.2	-46.1	174.7	174	0	0	0	0	110.8	R222 T223 L224 L228 G229 L230 G236	R222-V226 WeakPolarHBondContact O-CG2 3.46Å; R222-V226 PolarHBondContact O-N 3.39Å; T223-V226 PolarHBondContact O-N 2.84Å; L224-V226 VanDerWaalsContact C-N 3.31Å; L224-V226 PolarHBondContact O-N 3.29Å; V226-L228 VanDerWaalsContact C-N 3.31Å; V226-L228 PolarHBondContact O-N 3.3Å; V226-G229 PolarHBondContact O-N 2.92Å; V226-L230 HydrophobicContact CG1-CD1 4.14Å; V226-L230 HydrophobicContact CG1-CG 4.43Å; V226-L230 WeakPolarHBondContact O-CG 3.44Å; V226-L230 PolarHBondContact O-N 2.71Å; V226-G236 WeakPolarHBondContact CA-O 3.4Å
227	H	97.4	Very high	96.3	Very high	55 Å²	55	38.7 Å²	38.7	26%	0.255	23%	0.228	S	C	.	.	H	α-helix	trans	-62.3	-39.7	178.5	-68.7	-172.2	0	0	0	111.9	L171 F176 T223 L224 G229 L230 L231	L171-H227 HydrophobicContact CD1-CB 4.16Å; L171-H227 HydrophobicContact CD2-CB 4.45Å; F176-H227 PolarHBondContact O-CE1 3.25Å; F176-H227 VanDerWaalsContact O-CE1 3.29Å; T223-H227 VanDerWaalsContact CG2-NE2 3.34Å; T223-H227 WeakPolarHBondContact CG2-NE2 3.41Å; T223-H227 PolarHBondContact O-CD2 3.09Å; T223-H227 VanDerWaalsContact O-CD2 3.31Å; T223-H227 VanDerWaalsContact O-CG 3.32Å; T223-H227 PolarHBondContact O-N 2.86Å; L224-H227 PolarHBondContact O-N 3.2Å; H227-G229 VanDerWaalsContact C-N 3.34Å; H227-G229 PolarHBondContact O-N 2.98Å; H227-L230 PolarHBondContact O-N 3.1Å; H227-L231 WeakPolarHBondContact O-CB 3.02Å; H227-L231 PolarHBondContact O-N 3.29Å
228	L	96.9	Very high	96.5	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-59.6	-46.6	174.8	-169.9	65.6	0	0	0	110.9	V152 L164 A167 L168 L171 L224 V226 L230 L231 L232	V152-L228 HydrophobicContact CB-CD2 4.45Å; V152-L228 HydrophobicContact CG1-CD2 4.01Å; V152-L228 HydrophobicContact CG2-CD2 4.32Å; L164-L228 HydrophobicContact CD1-CD1 4.21Å; L164-L228 HydrophobicContact CD1-CD2 3.65Å; L164-L228 HydrophobicContact CD1-CG 3.98Å; A167-L228 HydrophobicContact CB-CD1 3.62Å; L168-L228 HydrophobicContact CB-CD1 4.32Å; L171-L228 HydrophobicContact CD1-CB 4.08Å; L171-L228 HydrophobicContact CD1-CD1 4.03Å; L224-L228 WeakPolarHBondContact O-CB 3.18Å; L224-L228 PolarHBondContact O-N 2.58Å; V226-L228 VanDerWaalsContact C-N 3.31Å; V226-L228 PolarHBondContact O-N 3.3Å; L228-L230 PolarHBondContact O-N 2.85Å; L228-L231 PolarHBondContact O-N 2.87Å; L228-L232 HydrophobicContact CG-CD1 4.18Å; L228-L232 WeakPolarHBondContact O-CB 3.41Å; L228-L232 WeakPolarHBondContact O-CD1 3.35Å; L228-L232 VanDerWaalsContact O-CG 3.22Å; L228-L232 WeakPolarHBondContact O-CG 3.31Å; L228-L232 PolarHBondContact O-N 2.81Å
229	G	96.9	Very high	96.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.7	-38.9	174.8	0	0	0	0	0	114.2	C225 V226 H227 G233 G235	C225-G229 PolarHBondContact O-N 3.25Å; C225-G229 VanDerWaalsContact O-N 3.1Å; V226-G229 PolarHBondContact O-N 2.92Å; H227-G229 VanDerWaalsContact C-N 3.34Å; H227-G229 PolarHBondContact O-N 2.98Å; G229-G233 PolarHBondContact O-N 2.89Å; G229-G233 VanDerWaalsContact O-N 3.17Å; G229-G235 VanDerWaalsContact CA-C 3.44Å; G229-G235 WeakPolarHBondContact O-CA 3.1Å; G229-G235 PolarHBondContact O-N 2.79Å
230	L	96.6	Very high	96.7	Very high	124 Å²	124	47 Å²	47	65%	0.649	25%	0.253	S	S	*	.	H	α-helix	trans	-67.3	-41.8	176.3	-70.2	173	0	0	0	111.8	V226 H227 L228 L232 G233	V226-L230 HydrophobicContact CG1-CD1 4.14Å; V226-L230 HydrophobicContact CG1-CG 4.43Å; V226-L230 WeakPolarHBondContact O-CG 3.44Å; V226-L230 PolarHBondContact O-N 2.71Å; H227-L230 PolarHBondContact O-N 3.1Å; L228-L230 PolarHBondContact O-N 2.85Å; L230-L232 VanDerWaalsContact C-N 3.28Å; L230-L232 PolarHBondContact O-N 2.97Å; L230-G233 PolarHBondContact O-N 2.7Å; L230-G233 VanDerWaalsContact O-N 3.16Å
231	L	96.4	Very high	96.8	Very high	93 Å²	93	46 Å²	46	49%	0.487	25%	0.251	S	S	.	.	H	α-helix	trans	-65.3	-34.6	178.6	-170.5	63.7	0	0	0	111.8	A167 T170 L171 H227 L228 G233	A167-L231 HydrophobicContact CB-CD2 3.99Å; T170-L231 HydrophobicContact CG2-CD2 4.06Å; L171-L231 HydrophobicContact CG-CD2 4.35Å; H227-L231 WeakPolarHBondContact O-CB 3.02Å; H227-L231 PolarHBondContact O-N 3.29Å; L228-L231 PolarHBondContact O-N 2.87Å; L231-G233 VanDerWaalsContact C-N 3.33Å
232	L	96.1	Very high	96.9	Very high	31 Å²	31	48.8 Å²	48.8	16%	0.162	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-9.6	175.9	-66.1	169.5	0	0	0	113.7	L154 V163 L164 A167 L228 L230 V234	L154-L232 HydrophobicContact CD1-CD1 4.1Å; L154-L232 HydrophobicContact CD2-CD1 3.84Å; V163-L232 HydrophobicContact CG1-CD2 3.61Å; L164-L232 HydrophobicContact CD1-CD1 3.71Å; A167-L232 HydrophobicContact CB-CD2 3.69Å; A167-L232 HydrophobicContact CB-CG 4.06Å; L228-L232 HydrophobicContact CG-CD1 4.18Å; L228-L232 WeakPolarHBondContact O-CB 3.41Å; L228-L232 WeakPolarHBondContact O-CD1 3.35Å; L228-L232 VanDerWaalsContact O-CG 3.22Å; L228-L232 WeakPolarHBondContact O-CG 3.31Å; L228-L232 PolarHBondContact O-N 2.81Å; L230-L232 VanDerWaalsContact C-N 3.28Å; L230-L232 PolarHBondContact O-N 2.97Å; L232-V234 HydrophobicContact CB-CG2 3.99Å; L232-V234 PolarHBondContact O-N 3.31Å
233	G	96.1	Very high	97	Very high	70 Å²	70	44.2 Å²	44.2	72%	0.722	24%	0.243	S	C	*	.	S	Bend	trans	73.5	-17.2	-177.5	0	0	0	0	0	115.7	G229 L230 L231	G229-G233 PolarHBondContact O-N 2.89Å; G229-G233 VanDerWaalsContact O-N 3.17Å; L230-G233 PolarHBondContact O-N 2.7Å; L230-G233 VanDerWaalsContact O-N 3.16Å; L231-G233 VanDerWaalsContact C-N 3.33Å
234	V	96.4	Very high	97.1	Very high	37 Å²	37	44.4 Å²	44.4	22%	0.224	25%	0.245	C	C	.	.	S	Bend	trans	-84	-15	-179.6	-61.8	0	0	0	0	113.8	L154 H155 N156 I158 L232	L154-V234 HydrophobicContact CB-CG2 4.14Å; L154-V234 HydrophobicContact CD1-CG2 4.44Å; L154-V234 HydrophobicContact CD2-CG2 4.35Å; H155-V234 WeakPolarHBondContact CB-O 3.13Å; N156-V234 HydrophobicContact CB-CB 3.92Å; N156-V234 HydrophobicContact CB-CG1 3.96Å; I158-V234 HydrophobicContact CG2-CG1 4.07Å; I158-V234 HydrophobicContact CG2-CG2 3.89Å; L232-V234 HydrophobicContact CB-CG2 3.99Å; L232-V234 PolarHBondContact O-N 3.31Å
235	G	96.8	Very high	97.1	Very high	15 Å²	15	47.9 Å²	47.9	16%	0.155	26%	0.258	C	S	.	.			trans	76.6	157.6	-171.2	0	0	0	0	0	113.1	H155 G229	H155-G235 PolarHBondContact N-O 2.86Å; G229-G235 VanDerWaalsContact CA-C 3.44Å; G229-G235 WeakPolarHBondContact O-CA 3.1Å; G229-G235 PolarHBondContact O-N 2.79Å
236	G	96.6	Very high	97	Very high	6 Å²	6	47.9 Å²	47.9	6%	0.062	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	153.8	-174.6	0	0	0	0	0	113.3	R153 V226	R153-G236 VanDerWaalsContact O-CA 3.31Å; R153-G236 WeakPolarHBondContact O-CA 3.24Å; V226-G236 WeakPolarHBondContact CA-O 3.4Å
237	Q	96.7	Very high	96.8	Very high	90 Å²	90	45.1 Å²	45.1	42%	0.421	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	157.2	179.6	64.9	177.9	20.1	0	0	111.2	R153 Q239	R153-Q237 HydrophobicContact CB-CG 4.29Å; R153-Q237 PolarHBondContact N-O 2.83Å; R153-Q237 PolarHBondContact O-N 3.34Å; Q237-Q239 PolarHBondContact O-N 2.92Å
238	M	97.3	Very high	96.4	Very high	35 Å²	35	45 Å²	45	17%	0.172	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	120.6	174.8	-170.5	-176.2	81.5	0	0	109.5	I221 R222 C225 L241	I221-M238 HydrophobicContact CB-SD 4.43Å; I221-M238 HydrophobicContact CG2-SD 4.43Å; R222-M238 HydrophobicContact CB-CE 4.38Å; R222-M238 HydrophobicContact CB-SD 4.09Å; R222-M238 HydrophobicContact CG-CB 4.36Å; C225-M238 HydrophobicContact CB-CB 3.99Å; M238-L241 HydrophobicContact CE-CB 4.16Å; M238-L241 HydrophobicContact CE-CD2 4.43Å; M238-L241 HydrophobicContact SD-CB 3.87Å; M238-L241 HydrophobicContact SD-CD1 4.4Å; M238-L241 HydrophobicContact SD-CD2 3.87Å; M238-L241 HydrophobicContact SD-CG 4.27Å
239	Q	97.1	Very high	96.3	Very high	86 Å²	86	45 Å²	45	40%	0.402	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-56.8	177.2	-177.7	61.1	25.1	0	0	110.2	I151 R153 L208 Q237	I151-Q239 HydrophobicContact CB-CB 4.19Å; I151-Q239 HydrophobicContact CG2-CB 4Å; I151-Q239 HydrophobicContact CG2-CG 4.4Å; I151-Q239 PolarHBondContact O-N 3.33Å; R153-Q239 HydrophobicContact CB-CB 4.19Å; L208-Q239 HydrophobicContact CD2-CB 4.4Å; L208-Q239 HydrophobicContact CD2-CG 4.28Å; Q237-Q239 PolarHBondContact O-N 2.92Å
240	E	96.9	Very high	96.2	Very high	119 Å²	119	45.5 Å²	45.5	56%	0.556	25%	0.25	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.5	158.2	-177.6	-74.6	177	-139.4	0	0	110.5	I151	I151-E240 HydrophobicContact CB-CB 4.34Å; I151-E240 HydrophobicContact CD1-CB 4.18Å; I151-E240 HydrophobicContact CG1-CB 4.31Å; I151-E240 PolarHBondContact N-O 2.96Å
241	L	98.1	Very high	96.1	Very high	20 Å²	20	43 Å²	43	11%	0.105	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	133.9	-179.3	-173.8	72.4	0	0	0	110.1	V123 T124 Y148 I221 M238	V123-L241 WeakPolarHBondContact CA-O 3.15Å; V123-L241 HydrophobicContact CG1-CB 4.16Å; V123-L241 HydrophobicContact CG1-CD2 3.97Å; V123-L241 HydrophobicContact CG1-CG 4.04Å; V123-L241 WeakPolarHBondContact CG1-O 3.43Å; V123-L241 HydrophobicContact CG2-CB 4.06Å; V123-L241 HydrophobicContact CG2-CD2 4.02Å; V123-L241 HydrophobicContact CG2-CG 4.47Å; T124-L241 PolarHBondContact N-O 3.02Å; Y148-L241 HydrophobicContact CD1-CD1 4.04Å; Y148-L241 HydrophobicContact CD1-CD2 3.93Å; Y148-L241 HydrophobicContact CD1-CG 3.94Å; Y148-L241 HydrophobicContact CE1-CD2 4.25Å; Y148-L241 HydrophobicContact CG-CD1 4.15Å; I221-L241 HydrophobicContact CB-CD1 3.95Å; I221-L241 HydrophobicContact CB-CD2 4.01Å; I221-L241 HydrophobicContact CG1-CD1 4.16Å; I221-L241 HydrophobicContact CG1-CD2 4.21Å; I221-L241 HydrophobicContact CG2-CD1 3.59Å; M238-L241 HydrophobicContact CE-CB 4.16Å; M238-L241 HydrophobicContact CE-CD2 4.43Å; M238-L241 HydrophobicContact SD-CB 3.87Å; M238-L241 HydrophobicContact SD-CD1 4.4Å; M238-L241 HydrophobicContact SD-CD2 3.87Å; M238-L241 HydrophobicContact SD-CG 4.27Å
242	R	98.4	Very high	95.9	Very high	63 Å²	63	47.7 Å²	47.7	24%	0.238	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	131.7	171	179.9	174.9	176.1	77.3	-4.7	109.4	D90 T124 Y148 V149 V244 E251	D90-R242 IonicContact OD1-CZ 3.83Å; D90-R242 IonicContact OD1-NH1 2.94Å; D90-R242 PolarHBondContact OD1-NH1 3.37Å; D90-R242 IonicContact OD1-NH2 3.82Å; D90-R242 IonicContact OD2-CZ 3.44Å; D90-R242 IonicContact OD2-NH1 3.08Å; D90-R242 PolarHBondContact OD2-NH1 3.01Å; D90-R242 VanDerWaalsContact OD2-NH1 3.08Å; D90-R242 IonicContact OD2-NH2 2.85Å; D90-R242 PolarHBondContact OD2-NH2 3.07Å; T124-R242 WeakPolarHBondContact O-CA 3.41Å; Y148-R242 CarbonylContact C-O 3.58Å; Y148-R242 VanDerWaalsContact CA-O 3.27Å; Y148-R242 WeakPolarHBondContact CA-O 3.42Å; V149-R242 PolarHBondContact N-O 2.85Å; V149-R242 PolarHBondContact O-N 3.33Å; R242-V244 HydrophobicContact CG-CG2 4.31Å; R242-E251 IonicContact CZ-OE2 3.87Å; R242-E251 IonicContact NE-OE2 3.7Å; R242-E251 PolarHBondContact NE-OE2 3.13Å; R242-E251 IonicContact NH2-OE2 3.57Å
243	R	98.3	Very high	95.8	Very high	3 Å²	3	49.4 Å²	49.4	1%	0.011	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	111.2	171.1	-170.9	162.3	66.8	-161	-0.8	109.6	G117 L119 T124 G125 C126 L127 E147 Y148 R245	G117-R243 PolarHBondContact O-NH1 3.37Å; G117-R243 PolarHBondContact O-NH2 3.23Å; L119-R243 HydrophobicContact CD1-CB 4.45Å; L119-R243 HydrophobicContact CD2-CB 3.74Å; L119-R243 HydrophobicContact CD2-CG 4.43Å; L119-R243 VanDerWaalsContact CD2-CZ 3.48Å; T124-R243 PolarHBondContact O-N 3.36Å; G125-R243 CarbonylContact C-O 3.56Å; G125-R243 WeakPolarHBondContact CA-O 3.49Å; C126-R243 PolarHBondContact N-O 3.25Å; C126-R243 PolarHBondContact O-NE 2.9Å; C126-R243 PolarHBondContact O-NH2 3.32Å; L127-R243 VanDerWaalsContact CD1-NH2 3.3Å; E147-R243 WeakPolarHBondContact O-CG 3.5Å; Y148-R243 HydrophobicContact CD1-CB 3.72Å; Y148-R243 HydrophobicContact CD1-CG 3.95Å; Y148-R243 HydrophobicContact CE1-CB 3.58Å; Y148-R243 HydrophobicContact CE1-CG 3.59Å; R243-R245 WeakPolarHBondContact CG-O 3.39Å
244	V	97.9	Very high	95.6	Very high	20 Å²	20	49 Å²	49	12%	0.121	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-24.2	-175.7	176.9	0	0	0	0	111.9	C126 E147 V149 R242 G250 E251	C126-V244 PolarHBondContact SG-O 2.85Å; E147-V244 PolarHBondContact O-N 2.94Å; V149-V244 HydrophobicContact CB-CG2 4.09Å; V149-V244 HydrophobicContact CG2-CG2 3.66Å; R242-V244 HydrophobicContact CG-CG2 4.31Å; V244-G250 CarbonylContact O-C 3.34Å; V244-G250 VanDerWaalsContact O-CA 3.24Å; V244-G250 WeakPolarHBondContact O-CA 3.33Å; V244-E251 HydrophobicContact CG1-CG 3.9Å; V244-E251 WeakPolarHBondContact CG1-OE1 3.42Å; V244-E251 PolarHBondContact O-N 3.15Å
245	R	97.5	Very high	95.6	Very high	73 Å²	73	49.1 Å²	49.1	28%	0.275	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	141.1	175.7	-161.4	-175.3	128.4	-117.4	-1.4	113	E147 R243 G247 L249	E147-R245 HydrophobicContact CB-CB 3.72Å; E147-R245 HydrophobicContact CG-CB 3.95Å; E147-R245 PolarHBondContact N-O 3.47Å; E147-R245 PolarHBondContact O-N 3.31Å; E147-R245 WeakPolarHBondContact OE1-CD 3.15Å; E147-R245 IonicContact OE1-CZ 3.83Å; E147-R245 IonicContact OE1-NE 2.89Å; E147-R245 IonicContact OE1-NH1 3.25Å; E147-R245 PolarHBondContact OE1-NH1 2.8Å; R243-R245 WeakPolarHBondContact CG-O 3.39Å; R245-G247 PolarHBondContact NE-O 3.19Å; R245-G247 PolarHBondContact NH2-O 3.03Å; R245-L249 WeakPolarHBondContact CA-O 3.29Å; R245-L249 VanDerWaalsContact CG-O 3.26Å; R245-L249 WeakPolarHBondContact CG-O 3.34Å
246	S	95.8	Very high	95.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	100.8	170.9	171.5	0	0	0	0	110.5	S116 I128 K146 V248 L249	S116-S246 WeakPolarHBondContact CB-OG 3.3Å; S116-S246 PolarHBondContact OG-OG 3.36Å; I128-S246 VanDerWaalsContact CD1-O 3.24Å; I128-S246 WeakPolarHBondContact CD1-O 3.4Å; K146-S246 WeakPolarHBondContact CE-OG 3.35Å; S246-V248 PolarHBondContact O-N 3.43Å; S246-L249 PolarHBondContact N-O 3.15Å; S246-L249 PolarHBondContact O-N 3.43Å
247	G	91.9	Very high	95.7	Very high	6 Å²	6	51 Å²	51	6%	0.062	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.6	-114.7	178.9	0	0	0	0	0	112	G145 R245	G145-G247 PolarHBondContact O-N 3.5Å; R245-G247 PolarHBondContact NE-O 3.19Å; R245-G247 PolarHBondContact NH2-O 3.03Å
248	V	90.8	Very high	95.7	Very high	51 Å²	51	47.9 Å²	47.9	31%	0.309	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-15	-176.9	-174.4	0	0	0	0	112.3	S246 V289	S246-V248 PolarHBondContact O-N 3.43Å; V248-V289 HydrophobicContact CG1-CG2 3.69Å
249	L	94.3	Very high	95.8	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	132.8	-173.1	-64.9	164	0	0	0	111.8	F86 N88 I128 R245 S246 D253 K286 L287	F86-L249 HydrophobicContact CD2-CD1 4.16Å; F86-L249 HydrophobicContact CE2-CD1 3.21Å; F86-L249 HydrophobicContact CZ-CD1 3.66Å; N88-L249 HydrophobicContact CB-CD1 4.32Å; I128-L249 HydrophobicContact CD1-CB 4.32Å; I128-L249 HydrophobicContact CD1-CD1 3.81Å; I128-L249 HydrophobicContact CD1-CG 4.48Å; I128-L249 HydrophobicContact CG1-CD1 3.99Å; R245-L249 WeakPolarHBondContact CA-O 3.29Å; R245-L249 VanDerWaalsContact CG-O 3.26Å; R245-L249 WeakPolarHBondContact CG-O 3.34Å; S246-L249 PolarHBondContact N-O 3.15Å; S246-L249 PolarHBondContact O-N 3.43Å; L249-D253 HydrophobicContact CD2-CB 3.68Å; L249-K286 HydrophobicContact CD2-CD 4.41Å; L249-L287 HydrophobicContact CD1-CD2 3.71Å
250	G	94.8	Very high	95.8	Very high	11 Å²	11	50.3 Å²	50.3	11%	0.113	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	-176.3	168.2	0	0	0	0	0	113.1	N88 V244 K252 D253	N88-G250 PolarHBondContact ND2-O 3.38Å; V244-G250 CarbonylContact O-C 3.34Å; V244-G250 VanDerWaalsContact O-CA 3.24Å; V244-G250 WeakPolarHBondContact O-CA 3.33Å; G250-K252 PolarHBondContact O-N 3.22Å; G250-D253 PolarHBondContact N-OD2 2.78Å; G250-D253 PolarHBondContact O-N 3.23Å
251	E	93.8	Very high	95.9	Very high	73 Å²	73	44.6 Å²	44.6	34%	0.341	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-23.3	178.1	67.1	-174.5	176.6	0	0	113.6	C126 R242 V244 D253 L255	C126-E251 PolarHBondContact SG-N 3.44Å; C126-E251 VanDerWaalsContact SG-N 3.45Å; R242-E251 IonicContact CZ-OE2 3.87Å; R242-E251 IonicContact NE-OE2 3.7Å; R242-E251 PolarHBondContact NE-OE2 3.13Å; R242-E251 IonicContact NH2-OE2 3.57Å; V244-E251 HydrophobicContact CG1-CG 3.9Å; V244-E251 WeakPolarHBondContact CG1-OE1 3.42Å; V244-E251 PolarHBondContact O-N 3.15Å; E251-D253 VanDerWaalsContact C-N 3.29Å; E251-L255 HydrophobicContact CB-CD2 3.97Å; E251-L255 VanDerWaalsContact O-CB 3.28Å; E251-L255 WeakPolarHBondContact O-CB 3.15Å
252	K	93.1	Very high	95.9	Very high	190 Å²	190	47.9 Å²	47.9	83%	0.826	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-14.2	176.2	-61.1	-178.3	-178	177.8	0	112.7	G250 N254	G250-K252 PolarHBondContact O-N 3.22Å; K252-N254 VanDerWaalsContact C-N 3.27Å; K252-N254 PolarHBondContact O-N 2.98Å
253	D	92.5	Very high	95.9	Very high	68 Å²	68	48.6 Å²	48.6	36%	0.364	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	57.4	-175.4	-63.1	-55.5	0	0	0	112.2	N88 L249 G250 E251	N88-D253 PolarHBondContact ND2-O 2.64Å; N88-D253 VanDerWaalsContact ND2-O 3.12Å; L249-D253 HydrophobicContact CD2-CB 3.68Å; G250-D253 PolarHBondContact N-OD2 2.78Å; G250-D253 PolarHBondContact O-N 3.23Å; E251-D253 VanDerWaalsContact C-N 3.29Å
254	N	92.6	Very high	95.9	Very high	61 Å²	61	48.4 Å²	48.4	33%	0.326	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	63.4	-179.6	-175.7	83.6	0	0	0	111.5	K252 R279 F282	K252-N254 VanDerWaalsContact C-N 3.27Å; K252-N254 PolarHBondContact O-N 2.98Å; N254-R279 PolarHBondContact ND2-O 2.95Å; N254-F282 HydrophobicContact CB-CE2 3.81Å; N254-F282 HydrophobicContact CB-CZ 3.58Å; N254-F282 VanDerWaalsContact ND2-CE2 3.31Å; N254-F282 WeakPolarHBondContact ND2-CE2 3.45Å; N254-F282 VanDerWaalsContact ND2-CZ 3.3Å; N254-F282 WeakPolarHBondContact ND2-CZ 3.4Å
255	L	96	Very high	95.8	Very high	39 Å²	39	48 Å²	48	20%	0.204	24%	0.242	C	C	.	.			trans	-73.5	130.1	172.9	-168.9	74.3	0	0	0	109.2	N88 D90 C126 E251	N88-L255 WeakPolarHBondContact O-CA 3.37Å; D90-L255 HydrophobicContact CB-CD1 4.31Å; D90-L255 HydrophobicContact CB-CD2 3.63Å; D90-L255 HydrophobicContact CB-CG 3.77Å; D90-L255 VanDerWaalsContact OD2-CD2 3.31Å; D90-L255 WeakPolarHBondContact OD2-CD2 3.39Å; C126-L255 HydrophobicContact CB-CD1 4.38Å; E251-L255 HydrophobicContact CB-CD2 3.97Å; E251-L255 VanDerWaalsContact O-CB 3.28Å; E251-L255 WeakPolarHBondContact O-CB 3.15Å
256	V	97.8	Very high	95.9	Very high	5 Å²	5	51 Å²	51	3%	0.03	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-124.1	150.9	-175.5	-60.5	0	0	0	0	111.2	I87 N88 L89 D90 D260 V280	I87-V256 HydrophobicContact CG2-CG2 3.42Å; I87-V256 VanDerWaalsContact CG2-CG2 3.42Å; N88-V256 WeakPolarHBondContact O-CG2 3.43Å; N88-V256 PolarHBondContact O-N 2.87Å; L89-V256 CarbonylContact C-O 3.59Å; L89-V256 WeakPolarHBondContact CA-O 3.43Å; D90-V256 PolarHBondContact N-O 2.87Å; V256-D260 HydrophobicContact CB-CB 4.15Å; V256-V280 HydrophobicContact CG2-CG1 3.99Å
257	T	98.3	Very high	95.9	Very high	55 Å²	55	53.2 Å²	53.2	34%	0.337	26%	0.264	S	S	.	.			trans	-90.9	169.7	-179.9	70.1	0	0	0	0	111.7	H259 D260 V261	T257-H259 PolarHBondContact O-N 2.96Å; T257-H259 PolarHBondContact OG1-N 2.83Å; T257-D260 WeakPolarHBondContact CB-OD2 3.26Å; T257-D260 PolarHBondContact N-OD2 3.22Å; T257-D260 PolarHBondContact O-N 2.92Å; T257-D260 PolarHBondContact OG1-N 2.87Å; T257-D260 PolarHBondContact OG1-OD2 3.16Å; T257-V261 WeakPolarHBondContact O-CG2 3.37Å; T257-V261 PolarHBondContact O-N 3.47Å
258	M	97.5	Very high	96.2	Very high	26 Å²	26	55.1 Å²	55.1	13%	0.128	27%	0.27	C	S	.	.	H	α-helix	trans	-61.4	-30.8	171	-74.1	-67.9	-62.5	0	0	112.9	L89 V100 W103 I104 I107 V261 L262	L89-M258 HydrophobicContact CD1-CG 4.29Å; L89-M258 HydrophobicContact CD1-SD 3.95Å; L89-M258 HydrophobicContact CD2-CG 4.37Å; L89-M258 HydrophobicContact CD2-SD 3.89Å; V100-M258 HydrophobicContact CG1-CG 4.46Å; V100-M258 HydrophobicContact CG1-SD 3.77Å; W103-M258 HydrophobicContact CB-CE 3.78Å; W103-M258 HydrophobicContact CE3-CE 4.31Å; I104-M258 HydrophobicContact CD1-SD 3.7Å; I104-M258 HydrophobicContact CG1-CE 3.84Å; I104-M258 HydrophobicContact CG1-SD 3.49Å; I104-M258 WeakPolarHBondContact CG1-SD 3.23Å; I107-M258 HydrophobicContact CD1-CE 3.9Å; M258-V261 PolarHBondContact O-N 3.03Å; M258-L262 PolarHBondContact O-N 2.97Å; M258-L262 VanDerWaalsContact O-N 3.12Å
259	H	98.2	Very high	96.5	Very high	136 Å²	136	55 Å²	55	63%	0.63	27%	0.267	S	S	*	.	H	α-helix	trans	-66	-45.9	176.7	-61	-79.6	0	0	0	110.4	T257 V261 L262 D263	T257-H259 PolarHBondContact O-N 2.96Å; T257-H259 PolarHBondContact OG1-N 2.83Å; H259-V261 VanDerWaalsContact C-N 3.26Å; H259-V261 PolarHBondContact O-N 2.75Å; H259-L262 PolarHBondContact O-N 3.18Å; H259-L262 VanDerWaalsContact O-N 3.09Å; H259-D263 WeakPolarHBondContact O-CB 3.43Å; H259-D263 PolarHBondContact O-N 2.97Å
260	D	98.1	Very high	96.6	Very high	35 Å²	35	60.2 Å²	60.2	19%	0.187	29%	0.292	C	S	.	.	H	α-helix	trans	-57.6	-39.1	176	-61.1	-70.1	0	0	0	112.3	V256 T257 A264 Y276 R279 V280	V256-D260 HydrophobicContact CB-CB 4.15Å; T257-D260 WeakPolarHBondContact CB-OD2 3.26Å; T257-D260 PolarHBondContact N-OD2 3.22Å; T257-D260 PolarHBondContact O-N 2.92Å; T257-D260 PolarHBondContact OG1-N 2.87Å; T257-D260 PolarHBondContact OG1-OD2 3.16Å; D260-A264 WeakPolarHBondContact O-CB 3.4Å; D260-A264 PolarHBondContact O-N 3.43Å; D260-Y276 HydrophobicContact CB-CE2 4.4Å; D260-Y276 PolarHBondContact OD1-OH 3.22Å; D260-Y276 VanDerWaalsContact OD1-OH 3.07Å; D260-R279 IonicContact OD1-NH2 3.57Å; D260-V280 HydrophobicContact CB-CG2 4.2Å
261	V	98.1	Very high	96.7	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-66.3	-43	177.9	-175.9	0	0	0	0	111.1	I87 L89 I107 L108 T257 M258 H259 Q265 V280	I87-V261 HydrophobicContact CD1-CG1 4.16Å; I87-V261 HydrophobicContact CD1-CG2 4.06Å; I87-V261 HydrophobicContact CG2-CG2 4.34Å; L89-V261 HydrophobicContact CD1-CG2 4.05Å; I107-V261 HydrophobicContact CG2-CG1 4.16Å; L108-V261 HydrophobicContact CD2-CG1 3.97Å; L108-V261 HydrophobicContact CG-CG1 4.22Å; T257-V261 WeakPolarHBondContact O-CG2 3.37Å; T257-V261 PolarHBondContact O-N 3.47Å; M258-V261 PolarHBondContact O-N 3.03Å; H259-V261 VanDerWaalsContact C-N 3.26Å; H259-V261 PolarHBondContact O-N 2.75Å; V261-Q265 PolarHBondContact O-N 2.96Å; V261-Q265 VanDerWaalsContact O-N 3.15Å; V261-V280 HydrophobicContact CB-CG1 4.37Å; V261-V280 HydrophobicContact CG2-CG1 3.71Å
262	L	98.1	Very high	96.8	Very high	88 Å²	88	67.6 Å²	67.6	46%	0.461	32%	0.324	S	S	.	.	H	α-helix	trans	-64.5	-48.6	178.2	-178.8	64	0	0	0	111	I107 M258 H259 A264 Q265 W266	I107-L262 HydrophobicContact CD1-CB 4.42Å; I107-L262 HydrophobicContact CD1-CD1 4.39Å; I107-L262 HydrophobicContact CG1-CD1 4.16Å; I107-L262 HydrophobicContact CG2-CD1 4.18Å; M258-L262 PolarHBondContact O-N 2.97Å; M258-L262 VanDerWaalsContact O-N 3.12Å; H259-L262 PolarHBondContact O-N 3.18Å; H259-L262 VanDerWaalsContact O-N 3.09Å; L262-A264 PolarHBondContact O-N 3.33Å; L262-Q265 PolarHBondContact O-N 3.41Å; L262-W266 WeakPolarHBondContact O-CB 3.43Å; L262-W266 PolarHBondContact O-N 3.29Å
263	D	98.2	Very high	96.9	Very high	78 Å²	78	61 Å²	61	42%	0.417	30%	0.298	S	S	.	.	H	α-helix	trans	-65.2	-40.8	-178.6	-64.6	-11.4	0	0	0	111.3	H259 Q265 W266 Q267 Y276	H259-D263 WeakPolarHBondContact O-CB 3.43Å; H259-D263 PolarHBondContact O-N 2.97Å; D263-Q265 VanDerWaalsContact C-N 3.32Å; D263-Q265 PolarHBondContact O-N 3.4Å; D263-W266 PolarHBondContact O-N 2.64Å; D263-Q267 WeakPolarHBondContact O-CB 3.05Å; D263-Q267 PolarHBondContact O-N 3.49Å; D263-Y276 HydrophobicContact CB-CE1 3.93Å
264	A	97.8	Very high	97.1	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62.2	-40.1	175.8	0	0	0	0	0	112.2	D260 L262 F268 Y276 L277 V280	D260-A264 WeakPolarHBondContact O-CB 3.4Å; D260-A264 PolarHBondContact O-N 3.43Å; L262-A264 PolarHBondContact O-N 3.33Å; A264-F268 PolarHBondContact O-N 3.46Å; A264-Y276 HydrophobicContact CB-CD1 4.24Å; A264-Y276 HydrophobicContact CB-CD2 3.78Å; A264-Y276 HydrophobicContact CB-CE2 4.23Å; A264-Y276 HydrophobicContact CB-CG 3.77Å; A264-L277 HydrophobicContact CB-CD1 4.1Å; A264-V280 HydrophobicContact CB-CB 4.43Å; A264-V280 HydrophobicContact CB-CG2 3.86Å
265	Q	97.7	Very high	97.3	Very high	11 Å²	11	62.4 Å²	62.4	5%	0.051	31%	0.307	C	S	.	.	H	α-helix	trans	-69.6	-41.8	176.3	-171.4	61	66.8	0	0	111.6	I107 L108 V261 L262 D263 F268 D269	I107-Q265 HydrophobicContact CG2-CB 3.91Å; I107-Q265 HydrophobicContact CG2-CG 4.31Å; I107-Q265 WeakPolarHBondContact O-CG 3.41Å; L108-Q265 HydrophobicContact CD2-CB 4.44Å; L108-Q265 VanDerWaalsContact CD2-OE1 3.29Å; V261-Q265 PolarHBondContact O-N 2.96Å; V261-Q265 VanDerWaalsContact O-N 3.15Å; L262-Q265 PolarHBondContact O-N 3.41Å; D263-Q265 VanDerWaalsContact C-N 3.32Å; D263-Q265 PolarHBondContact O-N 3.4Å; Q265-F268 PolarHBondContact O-N 3.11Å; Q265-D269 PolarHBondContact NE2-OD1 2.8Å; Q265-D269 PolarHBondContact O-N 3.16Å
266	W	98	Very high	97.3	Very high	135 Å²	135	62.9 Å²	62.9	51%	0.511	31%	0.306	S	S	.	.	H	α-helix	trans	-61	-45	177.6	-175.2	94.8	0	0	0	111.6	L262 D263 F268 D269 H270	L262-W266 WeakPolarHBondContact O-CB 3.43Å; L262-W266 PolarHBondContact O-N 3.29Å; D263-W266 PolarHBondContact O-N 2.64Å; W266-F268 VanDerWaalsContact C-N 3.35Å; W266-F268 PolarHBondContact O-N 3.46Å; W266-D269 PolarHBondContact O-N 2.85Å; W266-D269 VanDerWaalsContact O-N 3.15Å; W266-H270 AromaticContact CD1-CE1 3.32Å; W266-H270 AromaticContact CD1-ND1 3.63Å; W266-H270 AromaticContact CD2-CE1 3.95Å; W266-H270 AromaticContact CD2-ND1 3.55Å; W266-H270 AromaticContact CE2-CE1 3.45Å; W266-H270 VanDerWaalsContact CE2-CE1 3.45Å; W266-H270 AromaticContact CE2-CG 3.82Å; W266-H270 AromaticContact CE2-ND1 3.39Å; W266-H270 AromaticContact CE2-NE2 3.87Å; W266-H270 AromaticContact CG-CE1 3.87Å; W266-H270 AromaticContact CG-ND1 3.69Å; W266-H270 HydrophobicContact CH2-CB 4.41Å; W266-H270 HydrophobicContact CZ2-CB 4.49Å; W266-H270 AromaticContact CZ2-CD2 3.94Å; W266-H270 AromaticContact CZ2-CG 3.86Å; W266-H270 AromaticContact CZ2-ND1 3.93Å; W266-H270 AromaticContact NE1-CE1 3.04Å; W266-H270 PolarHBondContact NE1-CE1 3.08Å; W266-H270 AromaticContact NE1-ND1 3.46Å; W266-H270 PolarHBondContact NE1-ND1 3.33Å; W266-H270 AromaticContact NE1-NE2 3.56Å; W266-H270 PolarHBondContact O-N 2.87Å; W266-H270 PolarHBondContact O-ND1 3.12Å
267	Q	97.4	Very high	97.3	Very high	48 Å²	48	62.7 Å²	62.7	22%	0.224	31%	0.305	C	S	.	.	H	α-helix	trans	-60.7	-42.8	177.4	-176.5	70.3	5.8	0	0	111.7	D263 D269 N271 K272 D273	D263-Q267 WeakPolarHBondContact O-CB 3.05Å; D263-Q267 PolarHBondContact O-N 3.49Å; Q267-D269 VanDerWaalsContact C-N 3.33Å; Q267-N271 PolarHBondContact NE2-ND2 3.1Å; Q267-N271 WeakPolarHBondContact O-CA 3.37Å; Q267-N271 WeakPolarHBondContact O-CB 3.38Å; Q267-N271 PolarHBondContact O-N 2.72Å; Q267-N271 PolarHBondContact OE1-ND2 3.05Å; Q267-K272 PolarHBondContact O-N 2.91Å; Q267-D273 HydrophobicContact CG-CB 4.11Å
268	F	97	Very high	97.2	Very high	45 Å²	45	63.3 Å²	63.3	20%	0.197	30%	0.301	C	S	.	.	H	α-helix	trans	-65.2	-38.4	175.6	179	-104.1	0	0	0	111.9	I78 A264 Q265 W266 K272 E274 L277	I78-F268 HydrophobicContact CG1-CE2 4.13Å; I78-F268 HydrophobicContact CG1-CZ 4.39Å; I78-F268 HydrophobicContact CG2-CE2 3.95Å; I78-F268 HydrophobicContact CG2-CZ 3.78Å; A264-F268 PolarHBondContact O-N 3.46Å; Q265-F268 PolarHBondContact O-N 3.11Å; W266-F268 VanDerWaalsContact C-N 3.35Å; W266-F268 PolarHBondContact O-N 3.46Å; F268-K272 VanDerWaalsContact O-CA 3.24Å; F268-K272 WeakPolarHBondContact O-CA 3.22Å; F268-K272 PolarHBondContact O-N 3.21Å; F268-K272 VanDerWaalsContact O-N 3.12Å; F268-E274 HydrophobicContact CD2-CG 3.99Å; F268-E274 HydrophobicContact CE2-CG 3.76Å; F268-L277 HydrophobicContact CB-CD2 4.44Å; F268-L277 HydrophobicContact CG-CD2 4.31Å
269	D	96.5	Very high	97.1	Very high	48 Å²	48	67.8 Å²	67.8	26%	0.257	32%	0.317	S	S	.	.	H	α-helix	trans	-67.2	-45.5	-178.1	-69	-9.7	0	0	0	112	R109 Q265 W266 Q267 K272	R109-D269 IonicContact CZ-OD1 2.67Å; R109-D269 IonicContact CZ-OD2 3.99Å; R109-D269 VanDerWaalsContact CZ-OD2 3.25Å; R109-D269 IonicContact NH1-OD1 2.76Å; R109-D269 IonicContact NH1-OD2 3.46Å; R109-D269 PolarHBondContact NH1-OD2 2.89Å; R109-D269 IonicContact NH2-OD1 2.71Å; R109-D269 PolarHBondContact NH2-OD1 3.41Å; R109-D269 IonicContact NH2-OD2 3.51Å; R109-D269 PolarHBondContact NH2-OD2 2.95Å; Q265-D269 PolarHBondContact NE2-OD1 2.8Å; Q265-D269 PolarHBondContact O-N 3.16Å; W266-D269 PolarHBondContact O-N 2.85Å; W266-D269 VanDerWaalsContact O-N 3.15Å; Q267-D269 VanDerWaalsContact C-N 3.33Å; D269-K272 PolarHBondContact O-NZ 3.39Å
270	H	97.4	Very high	97.1	Very high	113 Å²	113	61.3 Å²	61.3	52%	0.523	29%	0.287	S	S	.	.	H	α-helix	trans	-86.7	-42.5	-174.2	-64.1	76.6	0	0	0	113.1	W266	W266-H270 AromaticContact CD1-CE1 3.32Å; W266-H270 AromaticContact CD1-ND1 3.63Å; W266-H270 AromaticContact CD2-CE1 3.95Å; W266-H270 AromaticContact CD2-ND1 3.55Å; W266-H270 AromaticContact CE2-CE1 3.45Å; W266-H270 VanDerWaalsContact CE2-CE1 3.45Å; W266-H270 AromaticContact CE2-CG 3.82Å; W266-H270 AromaticContact CE2-ND1 3.39Å; W266-H270 AromaticContact CE2-NE2 3.87Å; W266-H270 AromaticContact CG-CE1 3.87Å; W266-H270 AromaticContact CG-ND1 3.69Å; W266-H270 HydrophobicContact CH2-CB 4.41Å; W266-H270 HydrophobicContact CZ2-CB 4.49Å; W266-H270 AromaticContact CZ2-CD2 3.94Å; W266-H270 AromaticContact CZ2-CG 3.86Å; W266-H270 AromaticContact CZ2-ND1 3.93Å; W266-H270 AromaticContact NE1-CE1 3.04Å; W266-H270 PolarHBondContact NE1-CE1 3.08Å; W266-H270 AromaticContact NE1-ND1 3.46Å; W266-H270 PolarHBondContact NE1-ND1 3.33Å; W266-H270 AromaticContact NE1-NE2 3.56Å; W266-H270 PolarHBondContact O-N 2.87Å; W266-H270 PolarHBondContact O-ND1 3.12Å
271	N	96.4	Very high	97	Very high	96 Å²	96	59.7 Å²	59.7	51%	0.513	28%	0.278	S	S	.	.	H	α-helix	trans	-108.9	-5	-170.5	-61	3.1	0	0	0	113	Q267 D273	Q267-N271 PolarHBondContact NE2-ND2 3.1Å; Q267-N271 WeakPolarHBondContact O-CA 3.37Å; Q267-N271 WeakPolarHBondContact O-CB 3.38Å; Q267-N271 PolarHBondContact O-N 2.72Å; Q267-N271 PolarHBondContact OE1-ND2 3.05Å; N271-D273 HydrophobicContact CB-CB 4.41Å; N271-D273 PolarHBondContact O-N 3.49Å
272	K	95.3	Very high	97	Very high	142 Å²	142	61.2 Å²	61.2	62%	0.617	29%	0.285	S	S	*	.			trans	55.5	20.5	-174.1	-56	-60.5	177.1	-138.6	0	113.9	Q267 F268 D269	Q267-K272 PolarHBondContact O-N 2.91Å; F268-K272 VanDerWaalsContact O-CA 3.24Å; F268-K272 WeakPolarHBondContact O-CA 3.22Å; F268-K272 PolarHBondContact O-N 3.21Å; F268-K272 VanDerWaalsContact O-N 3.12Å; D269-K272 PolarHBondContact O-NZ 3.39Å
273	D	95.8	Very high	97	Very high	52 Å²	52	57 Å²	57	28%	0.278	26%	0.263	S	S	.	.			trans	-85	116.3	177.3	175.6	12.8	0	0	0	110.2	Q267 N271 T275	Q267-D273 HydrophobicContact CG-CB 4.11Å; N271-D273 HydrophobicContact CB-CB 4.41Å; N271-D273 PolarHBondContact O-N 3.49Å; D273-T275 VanDerWaalsContact CG-OG1 3.25Å; D273-T275 VanDerWaalsContact OD1-CB 3.3Å; D273-T275 WeakPolarHBondContact OD1-CB 3.43Å; D273-T275 VanDerWaalsContact OD1-CG2 3.25Å; D273-T275 WeakPolarHBondContact OD1-CG2 3.44Å; D273-T275 PolarHBondContact OD1-N 3.38Å; D273-T275 PolarHBondContact OD1-OG1 2.82Å; D273-T275 PolarHBondContact OD2-OG1 3.35Å; D273-T275 VanDerWaalsContact OD2-OG1 3.14Å
274	E	96.3	Very high	96.9	Very high	65 Å²	65	53.5 Å²	53.5	30%	0.304	24%	0.244	S	C	.	.			trans	-85	-13.5	-178.4	-61	-174.4	178.6	0	0	113.6	I78 F268 Y276 L277 R278	I78-E274 VanDerWaalsContact CB-CD 3.47Å; I78-E274 HydrophobicContact CB-CG 4.1Å; I78-E274 WeakPolarHBondContact CB-OE1 3.2Å; I78-E274 HydrophobicContact CD1-CB 4.12Å; I78-E274 HydrophobicContact CD1-CG 4.24Å; I78-E274 HydrophobicContact CG1-CB 4.43Å; I78-E274 HydrophobicContact CG1-CG 4.01Å; I78-E274 HydrophobicContact CG2-CG 4.49Å; I78-E274 WeakPolarHBondContact CG2-OE1 3.21Å; F268-E274 HydrophobicContact CD2-CG 3.99Å; F268-E274 HydrophobicContact CE2-CG 3.76Å; E274-Y276 VanDerWaalsContact C-N 3.34Å; E274-Y276 PolarHBondContact O-N 3.29Å; E274-L277 PolarHBondContact O-N 2.78Å; E274-R278 WeakPolarHBondContact O-CB 3.39Å; E274-R278 WeakPolarHBondContact O-CG 3.49Å; E274-R278 PolarHBondContact O-N 3.05Å; E274-R278 IonicContact OE2-CZ 3.26Å; E274-R278 VanDerWaalsContact OE2-CZ 3.31Å; E274-R278 IonicContact OE2-NE 3.83Å; E274-R278 PolarHBondContact OE2-NE 3.41Å; E274-R278 IonicContact OE2-NH2 3.58Å; E274-R278 PolarHBondContact OE2-NH2 2.96Å
275	T	96.7	Very high	96.9	Very high	94 Å²	94	53.6 Å²	53.6	58%	0.577	25%	0.245	S	C	*	.	H	α-helix	trans	-61.2	-43.1	-167.9	58.8	0	0	0	0	111.8	D273 R278 R279	D273-T275 VanDerWaalsContact CG-OG1 3.25Å; D273-T275 VanDerWaalsContact OD1-CB 3.3Å; D273-T275 WeakPolarHBondContact OD1-CB 3.43Å; D273-T275 VanDerWaalsContact OD1-CG2 3.25Å; D273-T275 WeakPolarHBondContact OD1-CG2 3.44Å; D273-T275 PolarHBondContact OD1-N 3.38Å; D273-T275 PolarHBondContact OD1-OG1 2.82Å; D273-T275 PolarHBondContact OD2-OG1 3.35Å; D273-T275 VanDerWaalsContact OD2-OG1 3.14Å; T275-R278 PolarHBondContact O-N 3.22Å; T275-R279 PolarHBondContact O-N 3.39Å
276	Y	97.4	Very high	96.8	Very high	48 Å²	48	55.1 Å²	55.1	19%	0.188	25%	0.251	C	S	.	.	H	α-helix	trans	-67.7	-43	179.1	-156.4	168.3	0	0	0	111.1	D260 D263 A264 E274 R278 R279 V280	D260-Y276 HydrophobicContact CB-CE2 4.4Å; D260-Y276 PolarHBondContact OD1-OH 3.22Å; D260-Y276 VanDerWaalsContact OD1-OH 3.07Å; D263-Y276 HydrophobicContact CB-CE1 3.93Å; A264-Y276 HydrophobicContact CB-CD1 4.24Å; A264-Y276 HydrophobicContact CB-CD2 3.78Å; A264-Y276 HydrophobicContact CB-CE2 4.23Å; A264-Y276 HydrophobicContact CB-CG 3.77Å; E274-Y276 VanDerWaalsContact C-N 3.34Å; E274-Y276 PolarHBondContact O-N 3.29Å; Y276-R278 VanDerWaalsContact C-N 3.29Å; Y276-R278 PolarHBondContact O-N 3.34Å; Y276-R279 VanDerWaalsContact CZ-NH2 3.31Å; Y276-R279 WeakPolarHBondContact O-CA 3.46Å; Y276-R279 VanDerWaalsContact O-CB 3.31Å; Y276-R279 WeakPolarHBondContact O-CB 3.44Å; Y276-R279 PolarHBondContact O-N 2.76Å; Y276-R279 PolarHBondContact OH-NH2 3.16Å; Y276-R279 VanDerWaalsContact OH-NH2 3.1Å; Y276-V280 HydrophobicContact CD2-CG2 3.83Å; Y276-V280 HydrophobicContact CE2-CG2 3.79Å; Y276-V280 WeakPolarHBondContact O-CG2 3.24Å; Y276-V280 PolarHBondContact O-N 3.37Å
277	L	96.2	Very high	96.7	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-63.4	-37.3	178.1	-159.5	62	0	0	0	111.8	I78 V82 L108 A264 F268 E274 R279 V280 I281	I78-L277 HydrophobicContact CD1-CB 4.36Å; I78-L277 HydrophobicContact CD1-CD2 3.97Å; I78-L277 HydrophobicContact CD1-CG 4.38Å; I78-L277 HydrophobicContact CG1-CD2 3.99Å; V82-L277 HydrophobicContact CG2-CD2 3.81Å; V82-L277 HydrophobicContact CG2-CG 4.26Å; L108-L277 HydrophobicContact CD2-CD1 4.11Å; A264-L277 HydrophobicContact CB-CD1 4.1Å; F268-L277 HydrophobicContact CB-CD2 4.44Å; F268-L277 HydrophobicContact CG-CD2 4.31Å; E274-L277 PolarHBondContact O-N 2.78Å; L277-R279 VanDerWaalsContact C-N 3.32Å; L277-R279 PolarHBondContact O-N 3.25Å; L277-V280 PolarHBondContact O-N 3.03Å; L277-I281 HydrophobicContact CD1-CD1 3.85Å; L277-I281 HydrophobicContact CG-CD1 4Å; L277-I281 WeakPolarHBondContact O-CB 3.44Å; L277-I281 PolarHBondContact O-N 3.08Å
278	R	96.8	Very high	96.6	Very high	67 Å²	67	46.4 Å²	46.4	25%	0.253	22%	0.216	S	C	.	.	H	α-helix	trans	-70.4	-23.4	173.2	-69.7	175.4	179.7	-81	-1	113.7	L74 R76 I78 Y81 E274 T275 Y276 I281	L74-R278 PolarHBondContact O-NH1 2.94Å; R76-R278 PolarHBondContact O-NH1 3.22Å; R76-R278 PolarHBondContact O-NH2 2.64Å; I78-R278 HydrophobicContact CD1-CG 4.03Å; Y81-R278 HydrophobicContact CD1-CG 4.39Å; Y81-R278 HydrophobicContact CE1-CB 4.42Å; Y81-R278 HydrophobicContact CE1-CG 4.16Å; Y81-R278 PolarHBondContact OH-O 2.96Å; E274-R278 WeakPolarHBondContact O-CB 3.39Å; E274-R278 WeakPolarHBondContact O-CG 3.49Å; E274-R278 PolarHBondContact O-N 3.05Å; E274-R278 IonicContact OE2-CZ 3.26Å; E274-R278 VanDerWaalsContact OE2-CZ 3.31Å; E274-R278 IonicContact OE2-NE 3.83Å; E274-R278 PolarHBondContact OE2-NE 3.41Å; E274-R278 IonicContact OE2-NH2 3.58Å; E274-R278 PolarHBondContact OE2-NH2 2.96Å; T275-R278 PolarHBondContact O-N 3.22Å; Y276-R278 VanDerWaalsContact C-N 3.29Å; Y276-R278 PolarHBondContact O-N 3.34Å; R278-I281 VanDerWaalsContact O-O 3.06Å
279	R	95.9	Very high	96.4	Very high	121 Å²	121	47.3 Å²	47.3	46%	0.457	23%	0.225	S	C	.	.	H	α-helix	trans	-74.8	-41.1	172.1	-172.8	-175.8	88.2	-179.2	9.8	111.9	N254 D260 T275 Y276 L277	N254-R279 PolarHBondContact ND2-O 2.95Å; D260-R279 IonicContact OD1-NH2 3.57Å; T275-R279 PolarHBondContact O-N 3.39Å; Y276-R279 VanDerWaalsContact CZ-NH2 3.31Å; Y276-R279 WeakPolarHBondContact O-CA 3.46Å; Y276-R279 VanDerWaalsContact O-CB 3.31Å; Y276-R279 WeakPolarHBondContact O-CB 3.44Å; Y276-R279 PolarHBondContact O-N 2.76Å; Y276-R279 PolarHBondContact OH-NH2 3.16Å; Y276-R279 VanDerWaalsContact OH-NH2 3.1Å; L277-R279 VanDerWaalsContact C-N 3.32Å; L277-R279 PolarHBondContact O-N 3.25Å
280	V	97.1	Very high	96.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-78.1	-37.4	-176	171.5	0	0	0	0	111.7	I87 V256 D260 V261 A264 Y276 L277	I87-V280 HydrophobicContact CD1-CG1 4.3Å; I87-V280 HydrophobicContact CG1-CG1 4.4Å; I87-V280 HydrophobicContact CG2-CG1 4.38Å; V256-V280 HydrophobicContact CG2-CG1 3.99Å; D260-V280 HydrophobicContact CB-CG2 4.2Å; V261-V280 HydrophobicContact CB-CG1 4.37Å; V261-V280 HydrophobicContact CG2-CG1 3.71Å; A264-V280 HydrophobicContact CB-CB 4.43Å; A264-V280 HydrophobicContact CB-CG2 3.86Å; Y276-V280 HydrophobicContact CD2-CG2 3.83Å; Y276-V280 HydrophobicContact CE2-CG2 3.79Å; Y276-V280 WeakPolarHBondContact O-CG2 3.24Å; Y276-V280 PolarHBondContact O-N 3.37Å; L277-V280 PolarHBondContact O-N 3.03Å
281	I	97.8	Very high	96.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-102.8	130.8	-176.1	-61.1	171.8	0	0	0	109.8	Y81 V82 I87 L108 I131 L277 R278	Y81-I281 HydrophobicContact CD1-CG2 4.25Å; Y81-I281 HydrophobicContact CE1-CB 4.01Å; Y81-I281 HydrophobicContact CE1-CG2 3.93Å; Y81-I281 WeakPolarHBondContact CE1-O 3.28Å; Y81-I281 VanDerWaalsContact CZ-O 3.32Å; Y81-I281 PolarHBondContact OH-O 2.86Å; V82-I281 HydrophobicContact CB-CD1 4.38Å; V82-I281 HydrophobicContact CG1-CD1 4.15Å; V82-I281 HydrophobicContact CG2-CD1 3.82Å; I87-I281 HydrophobicContact CD1-CG1 4.1Å; I87-I281 HydrophobicContact CG1-CG1 3.84Å; L108-I281 HydrophobicContact CD1-CD1 4.32Å; L108-I281 HydrophobicContact CD2-CD1 4.5Å; I131-I281 HydrophobicContact CD1-CD1 4.05Å; I131-I281 HydrophobicContact CD1-CG1 4.28Å; I131-I281 HydrophobicContact CD1-CG2 4.36Å; L277-I281 HydrophobicContact CD1-CD1 3.85Å; L277-I281 HydrophobicContact CG-CD1 4Å; L277-I281 WeakPolarHBondContact O-CB 3.44Å; L277-I281 PolarHBondContact O-N 3.08Å; R278-I281 VanDerWaalsContact O-O 3.06Å
282	F	96.9	Very high	96.1	Very high	32 Å²	32	43.9 Å²	43.9	14%	0.14	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	148.4	171	-73.3	-65.2	0	0	0	111.5	G85 F86 N254 K286	G85-F282 CarbonylContact C-O 3.6Å; G85-F282 WeakPolarHBondContact CA-O 3.49Å; F86-F282 HydrophobicContact CD1-CB 4.16Å; F86-F282 WeakPolarHBondContact CD1-O 3.43Å; F86-F282 HydrophobicContact CE1-CB 3.55Å; F86-F282 HydrophobicContact CE2-CB 3.92Å; F86-F282 HydrophobicContact CE2-CD2 4.14Å; F86-F282 HydrophobicContact CE2-CG 4.46Å; F86-F282 HydrophobicContact CZ-CB 3.42Å; F86-F282 VanDerWaalsContact CZ-CB 3.42Å; F86-F282 HydrophobicContact CZ-CD2 4.24Å; F86-F282 HydrophobicContact CZ-CG 4.15Å; F86-F282 PolarHBondContact N-O 3.12Å; F86-F282 PolarHBondContact O-N 2.93Å; N254-F282 HydrophobicContact CB-CE2 3.81Å; N254-F282 HydrophobicContact CB-CZ 3.58Å; N254-F282 VanDerWaalsContact ND2-CE2 3.31Å; N254-F282 WeakPolarHBondContact ND2-CE2 3.45Å; N254-F282 VanDerWaalsContact ND2-CZ 3.3Å; N254-F282 WeakPolarHBondContact ND2-CZ 3.4Å; F282-K286 HydrophobicContact CB-CD 4.06Å; F282-K286 HydrophobicContact CD1-CD 3.66Å; F282-K286 HydrophobicContact CD2-CD 4.22Å; F282-K286 HydrophobicContact CE1-CD 4.18Å; F282-K286 VanDerWaalsContact CE1-NZ 3.29Å; F282-K286 HydrophobicContact CG-CD 3.7Å
283	P	97.5	Very high	96.2	Very high	1 Å²	1	38 Å²	38	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	140.6	171.7	30.1	-34.1	0	0	0	110.4	L49 P73 L74 Y81 F86 E285 K286	L49-P283 HydrophobicContact CD1-CB 4.43Å; L49-P283 HydrophobicContact CD1-CG 3.47Å; L49-P283 VanDerWaalsContact CD1-CG 3.47Å; L49-P283 HydrophobicContact CD2-CG 4.31Å; P73-P283 HydrophobicContact CB-CB 3.86Å; P73-P283 HydrophobicContact CB-CG 4.21Å; L74-P283 HydrophobicContact CD2-CG 4.08Å; Y81-P283 HydrophobicContact CE2-CB 4.38Å; Y81-P283 HydrophobicContact CE2-CG 4.47Å; Y81-P283 WeakPolarHBondContact OH-CD 3.37Å; F86-P283 VanDerWaalsContact CE1-O 3.27Å; F86-P283 WeakPolarHBondContact CE1-O 3.12Å; P283-E285 PolarHBondContact O-N 2.79Å; P283-K286 WeakPolarHBondContact O-CB 3.38Å; P283-K286 PolarHBondContact O-N 2.81Å
284	L	96.8	Very high	96.2	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.021	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-51.4	-25.2	-178.2	64.4	82.4	0	0	0	114.7	S84 A134 L137 K286 L287 A337 I365	S84-L284 VanDerWaalsContact O-CB 3.31Å; S84-L284 WeakPolarHBondContact O-CB 3.48Å; S84-L284 WeakPolarHBondContact O-CG 3.1Å; S84-L284 PolarHBondContact O-N 3.07Å; A134-L284 HydrophobicContact CB-CB 3.92Å; A134-L284 HydrophobicContact CB-CD2 4.17Å; L137-L284 HydrophobicContact CD1-CB 4.08Å; L137-L284 HydrophobicContact CD1-CD1 4.24Å; L284-K286 PolarHBondContact O-N 3.45Å; L284-L287 WeakPolarHBondContact O-CB 3.25Å; L284-L287 PolarHBondContact O-N 2.94Å; L284-A337 HydrophobicContact CD1-CB 3.89Å; L284-I365 HydrophobicContact CD1-CG2 3.76Å; L284-I365 HydrophobicContact CD2-CG2 3.77Å; L284-I365 HydrophobicContact CG-CG2 4.48Å
285	E	97.3	Very high	96.3	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.009	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-56.6	-30.2	175.5	-76.1	77.5	-170.8	0	0	112.9	L49 L50 P73 R76 P283 L287 L288 G335 A337	L49-E285 HydrophobicContact CB-CB 4.46Å; L49-E285 HydrophobicContact CD1-CB 4.29Å; L50-E285 HydrophobicContact CD1-CB 3.8Å; L50-E285 HydrophobicContact CD1-CG 3.66Å; L50-E285 HydrophobicContact CG-CB 4.04Å; L50-E285 HydrophobicContact CG-CG 4.34Å; P73-E285 HydrophobicContact CB-CG 4.32Å; P73-E285 HydrophobicContact CG-CB 4.37Å; P73-E285 HydrophobicContact CG-CG 3.74Å; R76-E285 IonicContact CZ-OE1 3.82Å; R76-E285 IonicContact CZ-OE2 2.67Å; R76-E285 IonicContact NH1-OE1 2.95Å; R76-E285 IonicContact NH1-OE2 3.31Å; R76-E285 PolarHBondContact NH1-OE2 3.44Å; R76-E285 IonicContact NH2-OE1 2.76Å; R76-E285 PolarHBondContact NH2-OE1 3.1Å; R76-E285 IonicContact NH2-OE2 3.92Å; R76-E285 PolarHBondContact NH2-OE2 3.07Å; P283-E285 PolarHBondContact O-N 2.79Å; E285-L287 PolarHBondContact O-N 2.95Å; E285-L288 PolarHBondContact O-N 2.67Å; E285-G335 WeakPolarHBondContact CG-O 3.44Å; E285-A337 HydrophobicContact CG-CB 4.05Å; E285-A337 PolarHBondContact OE1-N 3.08Å
286	K	96.3	Very high	96.2	Very high	42 Å²	42	28 Å²	28	18%	0.183	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-62.3	-27	177.2	-169.8	175.7	179.2	-174.8	0	112.3	L49 F86 L249 F282 P283 L284 L288 V289	L49-K286 HydrophobicContact CD2-CB 3.7Å; L49-K286 HydrophobicContact CD2-CG 4.15Å; F86-K286 HydrophobicContact CE1-CB 3.86Å; F86-K286 HydrophobicContact CZ-CB 3.9Å; F86-K286 HydrophobicContact CZ-CD 4.18Å; F86-K286 HydrophobicContact CZ-CG 4.26Å; L249-K286 HydrophobicContact CD2-CD 4.41Å; F282-K286 HydrophobicContact CB-CD 4.06Å; F282-K286 HydrophobicContact CD1-CD 3.66Å; F282-K286 HydrophobicContact CD2-CD 4.22Å; F282-K286 HydrophobicContact CE1-CD 4.18Å; F282-K286 VanDerWaalsContact CE1-NZ 3.29Å; F282-K286 HydrophobicContact CG-CD 3.7Å; P283-K286 WeakPolarHBondContact O-CB 3.38Å; P283-K286 PolarHBondContact O-N 2.81Å; L284-K286 PolarHBondContact O-N 3.45Å; K286-L288 PolarHBondContact O-N 3.3Å; K286-V289 WeakPolarHBondContact O-CG2 3.25Å
287	L	95.7	Very high	96	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-73.7	-13	175.9	-60.4	176.1	0	0	0	113.4	F86 I128 L137 Q141 L249 L284 E285	F86-L287 HydrophobicContact CB-CD1 4.47Å; F86-L287 HydrophobicContact CD1-CD1 3.8Å; F86-L287 HydrophobicContact CD1-CD2 4.2Å; F86-L287 HydrophobicContact CD1-CG 3.72Å; F86-L287 HydrophobicContact CD2-CD2 4.15Å; F86-L287 HydrophobicContact CE1-CD1 4.15Å; F86-L287 HydrophobicContact CE1-CD2 3.85Å; F86-L287 HydrophobicContact CE1-CG 3.53Å; F86-L287 HydrophobicContact CE2-CD2 3.88Å; F86-L287 HydrophobicContact CE2-CG 4.43Å; F86-L287 HydrophobicContact CG-CD1 4.02Å; F86-L287 HydrophobicContact CG-CD2 4.3Å; F86-L287 HydrophobicContact CG-CG 4.19Å; F86-L287 HydrophobicContact CZ-CD2 3.67Å; F86-L287 HydrophobicContact CZ-CG 3.9Å; I128-L287 HydrophobicContact CD1-CD2 4.02Å; I128-L287 HydrophobicContact CG2-CD1 4.42Å; I128-L287 HydrophobicContact CG2-CD2 4.12Å; L137-L287 HydrophobicContact CD1-CD1 4.2Å; Q141-L287 HydrophobicContact CG-CD1 4.14Å; L249-L287 HydrophobicContact CD1-CD2 3.71Å; L284-L287 WeakPolarHBondContact O-CB 3.25Å; L284-L287 PolarHBondContact O-N 2.94Å; E285-L287 PolarHBondContact O-N 2.95Å
288	L	95.9	Very high	95.8	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-110.5	2.6	-171.1	-58.6	174.8	0	0	0	113	L50 L137 E285 K286 S290 H291 V329 A337 T340 I365	L50-L288 HydrophobicContact CD1-CB 4.42Å; L50-L288 HydrophobicContact CD2-CB 4.14Å; L137-L288 HydrophobicContact CD1-CD1 4.27Å; L137-L288 HydrophobicContact CD1-CD2 4.38Å; L137-L288 HydrophobicContact CD1-CG 4.34Å; L137-L288 HydrophobicContact CD2-CD2 4.19Å; E285-L288 PolarHBondContact O-N 2.67Å; K286-L288 PolarHBondContact O-N 3.3Å; L288-S290 PolarHBondContact O-N 3.46Å; L288-S290 VanDerWaalsContact O-N 3.13Å; L288-H291 WeakPolarHBondContact O-CB 3.43Å; L288-H291 PolarHBondContact O-N 2.71Å; L288-H291 PolarHBondContact O-ND1 2.88Å; L288-V329 HydrophobicContact CB-CG2 4.17Å; L288-V329 HydrophobicContact CD1-CG2 3.8Å; L288-A337 HydrophobicContact CD1-CB 3.62Å; L288-T340 HydrophobicContact CD2-CG2 4.07Å; L288-I365 HydrophobicContact CD1-CD1 3.75Å
289	V	93.4	Very high	95.5	Very high	65 Å²	65	27.6 Å²	27.6	39%	0.394	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-20.9	-175.2	-62	0	0	0	0	114.3	L50 V248 K286 H291	L50-V289 HydrophobicContact CD2-CG1 4.21Å; V248-V289 HydrophobicContact CG1-CG2 3.69Å; K286-V289 WeakPolarHBondContact O-CG2 3.25Å; V289-H291 VanDerWaalsContact C-N 3.33Å
290	S	91.9	Very high	95.3	Very high	85 Å²	85	22.8 Å²	22.8	59%	0.594	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-10.4	176.1	64.6	0	0	0	0	113.8	L288	L288-S290 PolarHBondContact O-N 3.46Å; L288-S290 VanDerWaalsContact O-N 3.13Å
291	H	94.3	Very high	95.2	Very high	44 Å²	44	22.8 Å²	22.8	20%	0.204	13%	0.126	C	C	.	.	S	Bend	trans	-87.8	144.3	-178.3	-64.7	71.8	0	0	0	110.6	L288 V289 V329	L288-H291 WeakPolarHBondContact O-CB 3.43Å; L288-H291 PolarHBondContact O-N 2.71Å; L288-H291 PolarHBondContact O-ND1 2.88Å; V289-H291 VanDerWaalsContact C-N 3.33Å; H291-V329 HydrophobicContact CB-CB 3.94Å; H291-V329 HydrophobicContact CB-CG1 3.83Å
292	K	96.6	Very high	95.1	Very high	55 Å²	55	22.9 Å²	22.9	24%	0.239	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	144.9	169.5	-65.7	-176.3	-177	161.9	0	110.2	E319 G321 I322 I328 V329	K292-E319 HydrophobicContact CB-CB 3.95Å; K292-E319 HydrophobicContact CB-CG 4.2Å; K292-E319 HydrophobicContact CG-CB 4.4Å; K292-E319 HydrophobicContact CG-CG 4.22Å; K292-G321 VanDerWaalsContact NZ-C 3.29Å; K292-G321 PolarHBondContact NZ-O 2.67Å; K292-I322 HydrophobicContact CB-CG1 4.11Å; K292-I322 HydrophobicContact CD-CG1 3.88Å; K292-I328 HydrophobicContact CB-CG2 4.17Å; K292-I328 WeakPolarHBondContact O-CA 3.29Å; K292-I328 WeakPolarHBondContact O-CB 3.28Å; K292-V329 PolarHBondContact O-N 3.38Å
293	R	97.3	Very high	94.9	Very high	20 Å²	20	22 Å²	22	8%	0.075	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	144	-167.8	-60.8	164.4	-68.3	172.9	-0.4	112.3	L50 K52 E319 V329 I331	L50-R293 WeakPolarHBondContact O-CD 3.26Å; L50-R293 PolarHBondContact O-NH1 3.49Å; K52-R293 PolarHBondContact O-NH1 3.21Å; R293-E319 WeakPolarHBondContact CB-OE2 3.46Å; R293-E319 IonicContact CZ-OE1 3.58Å; R293-E319 IonicContact CZ-OE2 3.74Å; R293-E319 VanDerWaalsContact CZ-OE2 3.29Å; R293-E319 PolarHBondContact N-OE2 2.91Å; R293-E319 IonicContact NE-OE1 3.54Å; R293-E319 IonicContact NE-OE2 3.61Å; R293-E319 PolarHBondContact NE-OE2 2.83Å; R293-E319 VanDerWaalsContact NH2-CD 3.34Å; R293-E319 IonicContact NH2-OE1 2.87Å; R293-E319 PolarHBondContact NH2-OE1 3.4Å; R293-E319 IonicContact NH2-OE2 2.79Å; R293-E319 PolarHBondContact NH2-OE2 2.83Å; R293-E319 VanDerWaalsContact NH2-OE2 3.12Å; R293-E319 PolarHBondContact O-N 3.07Å; R293-V329 CarbonylContact C-O 3.55Å; R293-V329 WeakPolarHBondContact CA-O 3.29Å; R293-V329 HydrophobicContact CB-CG1 4.43Å; R293-V329 HydrophobicContact CG-CG1 3.8Å; R293-I331 HydrophobicContact CB-CD1 4.3Å; R293-I331 HydrophobicContact CG-CD1 4.41Å
294	L	96.9	Very high	94.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	117	167.3	-171.3	70.2	0	0	0	108.7	M296 I310 V315 I328 V329 V330 I331 V358	L294-M296 HydrophobicContact CD2-SD 4.12Å; L294-M296 HydrophobicContact CG-SD 4.24Å; L294-I310 HydrophobicContact CD2-CG2 3.75Å; L294-V315 HydrophobicContact CD1-CB 4.42Å; L294-V315 HydrophobicContact CD1-CG1 3.54Å; L294-V315 HydrophobicContact CD1-CG2 3.95Å; L294-V315 HydrophobicContact CD2-CG2 4.11Å; L294-V315 HydrophobicContact CG-CG1 4.34Å; L294-V315 HydrophobicContact CG-CG2 4.22Å; L294-I328 HydrophobicContact CB-CD1 4.26Å; L294-I328 HydrophobicContact CD2-CD1 4.31Å; L294-V329 PolarHBondContact N-O 3.19Å; L294-V330 HydrophobicContact CB-CG2 4.47Å; L294-V330 HydrophobicContact CD2-CG2 4.47Å; L294-V330 CarbonylContact O-C 3.55Å; L294-V330 WeakPolarHBondContact O-CA 3.22Å; L294-I331 PolarHBondContact O-N 2.84Å; L294-V358 HydrophobicContact CD1-CG1 4.27Å; L294-V358 HydrophobicContact CD2-CG1 3.87Å
295	V	96.8	Very high	94.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	125.3	-178.1	-171.9	0	0	0	0	109.1	F54 L57 L316 R317 I331 T333	F54-V295 HydrophobicContact CE2-CG1 4.39Å; F54-V295 HydrophobicContact CE2-CG2 3.93Å; L57-V295 HydrophobicContact CD1-CG2 3.71Å; V295-L316 HydrophobicContact CG1-CB 4.4Å; V295-L316 WeakPolarHBondContact O-CB 3.32Å; V295-L316 PolarHBondContact O-N 2.96Å; V295-R317 HydrophobicContact CB-CB 3.96Å; V295-R317 HydrophobicContact CG2-CB 3.89Å; V295-R317 PolarHBondContact N-O 3.5Å; V295-R317 PolarHBondContact O-N 2.91Å; V295-I331 WeakPolarHBondContact CA-O 3.48Å; V295-I331 HydrophobicContact CB-CG1 4.42Å; V295-I331 HydrophobicContact CG2-CD1 4.03Å; V295-I331 HydrophobicContact CG2-CG1 3.9Å; V295-T333 HydrophobicContact CG1-CG2 4.11Å
296	M	94.9	Very high	94.7	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	149.7	-179.1	-61.5	-58.3	-66.6	0	0	112.1	L294 A300 I304 I310 G314 V315 V330 I331 I338	L294-M296 HydrophobicContact CD2-SD 4.12Å; L294-M296 HydrophobicContact CG-SD 4.24Å; M296-A300 HydrophobicContact CE-CB 4.08Å; M296-I304 HydrophobicContact CB-CD1 4.32Å; M296-I304 HydrophobicContact CE-CD1 3.73Å; M296-I304 HydrophobicContact CG-CD1 3.74Å; M296-I304 HydrophobicContact SD-CD1 4.35Å; M296-I310 HydrophobicContact CE-CG2 3.8Å; M296-I310 HydrophobicContact SD-CG2 3.81Å; M296-G314 CarbonylContact C-O 3.55Å; M296-G314 WeakPolarHBondContact CA-O 3.26Å; M296-G314 VanDerWaalsContact CE-O 3.26Å; M296-G314 WeakPolarHBondContact CE-O 3.45Å; M296-V315 HydrophobicContact CE-CG2 4.4Å; M296-V315 HydrophobicContact SD-CG2 3.93Å; M296-V330 HydrophobicContact CG-CG1 3.26Å; M296-V330 HydrophobicContact SD-CG1 4.09Å; M296-I331 PolarHBondContact N-O 3.24Å; M296-I338 HydrophobicContact CB-CD1 4.1Å; M296-I338 HydrophobicContact CG-CD1 4.25Å
297	K	93.3	Very high	94.5	Very high	49 Å²	49	25.7 Å²	25.7	21%	0.213	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-61.7	139.4	165.1	-68.2	177.6	179.8	165.2	0	110.1	S299 A300 P313 G314 L316	K297-S299 PolarHBondContact O-N 2.68Å; K297-S299 VanDerWaalsContact O-N 3.1Å; K297-A300 PolarHBondContact O-N 3.31Å; K297-P313 PolarHBondContact NZ-O 3.26Å; K297-G314 PolarHBondContact N-O 2.87Å; K297-L316 HydrophobicContact CG-CB 4.38Å; K297-L316 HydrophobicContact CG-CD1 4.39Å
298	D	91.8	Very high	94.3	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-52.6	-35.5	178.4	-68.8	24.3	0	0	0	112.8	I67 A300 V301 T333 K334 Y371	I67-D298 HydrophobicContact CB-CB 4.14Å; I67-D298 HydrophobicContact CD1-CB 3.88Å; I67-D298 HydrophobicContact CG1-CB 3.74Å; I67-D298 PolarHBondContact N-OD2 2.94Å; D298-A300 VanDerWaalsContact C-N 3.26Å; D298-A300 PolarHBondContact O-N 3Å; D298-V301 PolarHBondContact O-N 3Å; D298-T333 PolarHBondContact OD1-OG1 2.97Å; D298-K334 IonicContact OD2-NZ 3.75Å; D298-Y371 HydrophobicContact CB-CD1 4.18Å; D298-Y371 HydrophobicContact CB-CE1 4Å
299	S	90.7	Very high	94.2	Very high	57 Å²	57	32 Å²	32	40%	0.399	19%	0.188	S	C	.	.	H	α-helix	trans	-66.3	-22.8	178	62.5	0	0	0	0	114.6	K297	K297-S299 PolarHBondContact O-N 2.68Å; K297-S299 VanDerWaalsContact O-N 3.1Å
300	A	92.7	Very high	94.2	Very high	20 Å²	20	28.9 Å²	28.9	17%	0.165	17%	0.169	C	C	.	.	H	α-helix	trans	-92.7	-17.3	-179.4	0	0	0	0	0	112.7	M296 K297 D298 N302 A303 I304	M296-A300 HydrophobicContact CE-CB 4.08Å; K297-A300 PolarHBondContact O-N 3.31Å; D298-A300 VanDerWaalsContact C-N 3.26Å; D298-A300 PolarHBondContact O-N 3Å; A300-N302 PolarHBondContact O-N 3.02Å; A300-A303 PolarHBondContact O-N 3.14Å; A300-I304 WeakPolarHBondContact O-CG1 3.38Å; A300-I304 PolarHBondContact O-N 2.84Å
301	V	94.8	Very high	94.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-57.8	-49.7	-172.5	178.2	0	0	0	0	111.9	D298 A303 I304 C305 T332 I338 M366 Y371	D298-V301 PolarHBondContact O-N 3Å; V301-A303 VanDerWaalsContact C-N 3.33Å; V301-A303 PolarHBondContact O-N 3.16Å; V301-I304 WeakPolarHBondContact O-CB 3.39Å; V301-I304 PolarHBondContact O-N 2.92Å; V301-I304 VanDerWaalsContact O-N 3.16Å; V301-C305 PolarHBondContact O-N 2.95Å; V301-C305 VanDerWaalsContact O-N 3.08Å; V301-C305 PolarHBondContact O-SG 2.84Å; V301-C305 VanDerWaalsContact O-SG 3.38Å; V301-T332 HydrophobicContact CG1-CG2 4.19Å; V301-T332 HydrophobicContact CG2-CG2 3.98Å; V301-I338 HydrophobicContact CB-CD1 4.33Å; V301-I338 HydrophobicContact CG1-CD1 3.97Å; V301-I338 HydrophobicContact CG1-CG1 4.09Å; V301-I338 HydrophobicContact CG1-CG2 4.32Å; V301-I338 HydrophobicContact CG2-CD1 3.81Å; V301-M366 HydrophobicContact CG1-CE 4.37Å; V301-M366 HydrophobicContact CG1-SD 3.45Å; V301-M366 WeakPolarHBondContact CG1-SD 3.47Å; V301-Y371 HydrophobicContact CB-CD1 4.16Å; V301-Y371 HydrophobicContact CB-CD2 4.14Å; V301-Y371 HydrophobicContact CB-CG 3.87Å; V301-Y371 HydrophobicContact CG1-CD1 4.43Å; V301-Y371 HydrophobicContact CG1-CD2 3.53Å; V301-Y371 HydrophobicContact CG1-CE2 4.02Å; V301-Y371 HydrophobicContact CG1-CG 3.78Å; V301-Y371 HydrophobicContact CG2-CD1 4.3Å; V301-Y371 HydrophobicContact CG2-CE1 4.44Å; V301-Y371 HydrophobicContact CG2-CG 4.45Å
302	N	95.4	Very high	94.2	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.011	15%	0.145	C	C	.	.	H	α-helix	trans	-59	-44	-178	-179.2	-82.7	0	0	0	111.9	A300 I304 C305 Y306 D369 Y371 P372 R373	A300-N302 PolarHBondContact O-N 3.02Å; N302-I304 VanDerWaalsContact C-N 3.28Å; N302-I304 PolarHBondContact O-N 3.47Å; N302-C305 WeakPolarHBondContact O-CA 3.18Å; N302-C305 WeakPolarHBondContact O-CB 3.42Å; N302-C305 PolarHBondContact O-N 2.97Å; N302-Y306 WeakPolarHBondContact O-CD2 3.4Å; N302-Y306 PolarHBondContact O-N 3.34Å; N302-Y306 VanDerWaalsContact O-N 3.15Å; N302-Y306 WeakPolarHBondContact OD1-CD2 3.37Å; N302-Y306 WeakPolarHBondContact OD1-CE2 3.45Å; N302-D369 WeakPolarHBondContact ND2-CA 3.38Å; N302-D369 PolarHBondContact ND2-N 3.15Å; N302-D369 PolarHBondContact ND2-OD1 3.18Å; N302-D369 VanDerWaalsContact ND2-OD1 3.09Å; N302-Y371 WeakPolarHBondContact CB-O 3.45Å; N302-Y371 PolarHBondContact ND2-O 2.67Å; N302-P372 WeakPolarHBondContact CB-O 3.38Å; N302-R373 WeakPolarHBondContact OD1-CG 3.32Å
303	A	93.8	Very high	93.9	Very high	15 Å²	15	26.9 Å²	26.9	12%	0.124	16%	0.159	C	C	.	.	H	α-helix	trans	-58	-41	178.9	0	0	0	0	0	112.2	A300 V301 Y306 G307 A308 W375	A300-A303 PolarHBondContact O-N 3.14Å; V301-A303 VanDerWaalsContact C-N 3.33Å; V301-A303 PolarHBondContact O-N 3.16Å; A303-Y306 PolarHBondContact O-N 2.91Å; A303-G307 PolarHBondContact O-N 3.03Å; A303-A308 HydrophobicContact CB-CB 3.99Å; A303-A308 WeakPolarHBondContact O-CB 3.47Å; A303-A308 PolarHBondContact O-N 2.93Å; A303-W375 HydrophobicContact CB-CB 4.48Å; A303-W375 HydrophobicContact CB-CD2 4.1Å; A303-W375 HydrophobicContact CB-CE3 3.34Å; A303-W375 HydrophobicContact CB-CZ3 3.89Å
304	I	95.8	Very high	93.6	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.021	16%	0.161	C	C	.	.	H	α-helix	trans	-65.9	-39.1	177.1	-59.3	166.2	0	0	0	110.4	M296 A300 V301 N302 Y306 G307 I310 V330 I338 C339 I361	M296-I304 HydrophobicContact CB-CD1 4.32Å; M296-I304 HydrophobicContact CE-CD1 3.73Å; M296-I304 HydrophobicContact CG-CD1 3.74Å; M296-I304 HydrophobicContact SD-CD1 4.35Å; A300-I304 WeakPolarHBondContact O-CG1 3.38Å; A300-I304 PolarHBondContact O-N 2.84Å; V301-I304 WeakPolarHBondContact O-CB 3.39Å; V301-I304 PolarHBondContact O-N 2.92Å; V301-I304 VanDerWaalsContact O-N 3.16Å; N302-I304 VanDerWaalsContact C-N 3.28Å; N302-I304 PolarHBondContact O-N 3.47Å; I304-Y306 PolarHBondContact O-N 2.93Å; I304-G307 WeakPolarHBondContact O-CA 3.28Å; I304-G307 PolarHBondContact O-N 3.12Å; I304-I310 HydrophobicContact CD1-CG1 4.36Å; I304-I310 HydrophobicContact CG1-CG1 4.32Å; I304-I310 HydrophobicContact CG2-CG1 4.42Å; I304-V330 HydrophobicContact CD1-CG1 4.48Å; I304-I338 HydrophobicContact CB-CG2 4.07Å; I304-I338 HydrophobicContact CG2-CG2 3.65Å; I304-C339 HydrophobicContact CG2-CB 4.46Å; I304-C339 VanDerWaalsContact CG2-SG 3.59Å; I304-I361 HydrophobicContact CG2-CD1 3.77Å; I304-I361 HydrophobicContact CG2-CG1 4.38Å; I304-I361 WeakPolarHBondContact O-CD1 3.36Å
305	C	95.9	Very high	93.5	Very high	5 Å²	5	26.5 Å²	26.5	3%	0.034	16%	0.161	C	C	.	.	H	α-helix	trans	-62	-27.5	174.7	-63	0	0	0	0	113.2	V301 N302 G307 V364 R368	V301-C305 PolarHBondContact O-N 2.95Å; V301-C305 VanDerWaalsContact O-N 3.08Å; V301-C305 PolarHBondContact O-SG 2.84Å; V301-C305 VanDerWaalsContact O-SG 3.38Å; N302-C305 WeakPolarHBondContact O-CA 3.18Å; N302-C305 WeakPolarHBondContact O-CB 3.42Å; N302-C305 PolarHBondContact O-N 2.97Å; C305-G307 VanDerWaalsContact C-N 3.3Å; C305-V364 HydrophobicContact CB-CG1 4.46Å; C305-R368 HydrophobicContact CB-CG 4.47Å
306	Y	94.7	Very high	93.3	Very high	70 Å²	70	26.5 Å²	26.5	28%	0.275	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-2.6	172.2	-81.3	-87.2	0	0	0	113.8	N302 A303 I304 R368 D369 R373 W375	N302-Y306 WeakPolarHBondContact O-CD2 3.4Å; N302-Y306 PolarHBondContact O-N 3.34Å; N302-Y306 VanDerWaalsContact O-N 3.15Å; N302-Y306 WeakPolarHBondContact OD1-CD2 3.37Å; N302-Y306 WeakPolarHBondContact OD1-CE2 3.45Å; A303-Y306 PolarHBondContact O-N 2.91Å; I304-Y306 PolarHBondContact O-N 2.93Å; Y306-R368 HydrophobicContact CE1-CG 4.49Å; Y306-R368 HydrophobicContact CE2-CB 4.11Å; Y306-R368 HydrophobicContact CE2-CG 4.34Å; Y306-D369 WeakPolarHBondContact CE2-OD1 3.43Å; Y306-D369 VanDerWaalsContact OH-CG 3.26Å; Y306-D369 PolarHBondContact OH-OD1 3.04Å; Y306-D369 VanDerWaalsContact OH-OD1 3.08Å; Y306-D369 PolarHBondContact OH-OD2 3.4Å; Y306-R373 PolarHBondContact OH-NH2 2.93Å; Y306-W375 VanDerWaalsContact CB-CH2 3.48Å; Y306-W375 HydrophobicContact CD1-CH2 4.34Å; Y306-W375 HydrophobicContact CD2-CH2 4.08Å; Y306-W375 HydrophobicContact CD2-CZ2 4.24Å; Y306-W375 AromaticContact CG-CH2 3.71Å; Y306-W375 HydrophobicContact CG-CH2 3.71Å; Y306-W375 HydrophobicContact CG-CZ2 4.21Å
307	G	92.4	Very high	93.3	Very high	47 Å²	47	28.8 Å²	28.8	49%	0.485	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.6	14	178.2	0	0	0	0	0	114.5	A303 I304 C305	A303-G307 PolarHBondContact O-N 3.03Å; I304-G307 WeakPolarHBondContact O-CA 3.28Å; I304-G307 PolarHBondContact O-N 3.12Å; C305-G307 VanDerWaalsContact C-N 3.3Å
308	A	91.6	Very high	93.4	Very high	33 Å²	33	26.9 Å²	26.9	27%	0.273	16%	0.161	S	C	.	.			trans	-63.3	148.8	173.9	0	0	0	0	0	111.4	A303 I361 W375	A303-A308 HydrophobicContact CB-CB 3.99Å; A303-A308 WeakPolarHBondContact O-CB 3.47Å; A303-A308 PolarHBondContact O-N 2.93Å; A308-I361 WeakPolarHBondContact O-CD1 3.15Å; A308-W375 HydrophobicContact CB-CZ3 4.42Å
309	K	92.5	Very high	93.6	Very high	98 Å²	98	28.6 Å²	28.6	43%	0.426	17%	0.169	S	C	.	.			trans	-60.4	146.1	174.3	-64.6	178.2	-174.3	170.3	0	110.4	M311 V357 Y414	K309-M311 HydrophobicContact CB-SD 4.15Å; K309-M311 PolarHBondContact O-N 3.38Å; K309-V357 HydrophobicContact CB-CG1 3.94Å; K309-V357 HydrophobicContact CB-CG2 4.4Å; K309-V357 HydrophobicContact CD-CG1 4.4Å; K309-V357 HydrophobicContact CD-CG2 3.95Å; K309-V357 HydrophobicContact CG-CG1 4.48Å; K309-Y414 PolarHBondContact NZ-O 3.14Å
310	I	95.2	Very high	93.8	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	103.4	179	-61.9	156.6	0	0	0	107.9	L294 M296 I304 V330 A341 V357 V358 A359 I361	L294-I310 HydrophobicContact CD2-CG2 3.75Å; M296-I310 HydrophobicContact CE-CG2 3.8Å; M296-I310 HydrophobicContact SD-CG2 3.81Å; I304-I310 HydrophobicContact CD1-CG1 4.36Å; I304-I310 HydrophobicContact CG1-CG1 4.32Å; I304-I310 HydrophobicContact CG2-CG1 4.42Å; I310-V330 HydrophobicContact CD1-CG2 3.67Å; I310-A341 HydrophobicContact CD1-CB 3.74Å; I310-V357 CarbonylContact O-C 3.55Å; I310-V358 HydrophobicContact CG2-CB 4.39Å; I310-V358 PolarHBondContact O-N 3.36Å; I310-A359 HydrophobicContact CB-CB 4.3Å; I310-A359 WeakPolarHBondContact CB-O 3.45Å; I310-A359 HydrophobicContact CD1-CB 3.79Å; I310-A359 PolarHBondContact N-O 3.14Å; I310-I361 HydrophobicContact CD1-CG1 4.04Å; I310-I361 HydrophobicContact CG1-CG1 4.26Å
311	M	93.2	Very high	93.9	Very high	54 Å²	54	31.4 Å²	31.4	27%	0.266	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	146.1	-177.2	-55.8	-59.8	-68.2	0	0	111.2	K309 P313 G314 G356 V357 Y414	K309-M311 HydrophobicContact CB-SD 4.15Å; K309-M311 PolarHBondContact O-N 3.38Å; M311-P313 VanDerWaalsContact C-CD 3.45Å; M311-G314 PolarHBondContact O-N 3.26Å; M311-G356 WeakPolarHBondContact CA-O 3.46Å; M311-V357 HydrophobicContact CE-CG2 4.28Å; M311-V357 HydrophobicContact SD-CB 4.42Å; M311-V357 HydrophobicContact SD-CG2 3.71Å; M311-Y414 HydrophobicContact CE-CD1 4.26Å; M311-Y414 HydrophobicContact CE-CD2 3.55Å; M311-Y414 HydrophobicContact CE-CE2 4.04Å; M311-Y414 HydrophobicContact CE-CG 3.67Å
312	L	92.6	Very high	94	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.021	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-55.3	-39.3	-178.1	-168.7	62.3	0	0	0	114.8	G314 V315 I350 C353 G356 V358	L312-G314 PolarHBondContact O-N 3.47Å; L312-V315 HydrophobicContact CD1-CG2 4.47Å; L312-V315 WeakPolarHBondContact O-CB 3.41Å; L312-V315 PolarHBondContact O-N 3.26Å; L312-I350 HydrophobicContact CD1-CG2 3.89Å; L312-C353 HydrophobicContact CD2-CB 3.95Å; L312-C353 WeakPolarHBondContact CD2-O 3.42Å; L312-G356 PolarHBondContact N-O 3.38Å; L312-V358 HydrophobicContact CB-CG2 3.75Å; L312-V358 HydrophobicContact CD1-CG2 3.5Å; L312-V358 VanDerWaalsContact CD1-CG2 3.5Å; L312-V358 HydrophobicContact CG-CG2 4.22Å
313	P	90.1	Very high	94.1	Very high	83 Å²	83	36.5 Å²	36.5	54%	0.539	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-60.7	-20.5	177.5	-26.5	36.5	0	0	0	115	K297 M311	K297-P313 PolarHBondContact NZ-O 3.26Å; M311-P313 VanDerWaalsContact C-CD 3.45Å
314	G	90.8	Very high	94.2	Very high	11 Å²	11	39.1 Å²	39.1	11%	0.113	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-85.1	-12.7	176.5	0	0	0	0	0	114.1	M296 K297 M311 L312	M296-G314 CarbonylContact C-O 3.55Å; M296-G314 WeakPolarHBondContact CA-O 3.26Å; M296-G314 VanDerWaalsContact CE-O 3.26Å; M296-G314 WeakPolarHBondContact CE-O 3.45Å; K297-G314 PolarHBondContact N-O 2.87Å; M311-G314 PolarHBondContact O-N 3.26Å; L312-G314 PolarHBondContact O-N 3.47Å
315	V	94.1	Very high	94.2	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	134.9	-179.4	178.7	0	0	0	0	110.1	R60 L294 M296 L312 Y318 V358	R60-V315 HydrophobicContact CB-CG1 4.48Å; L294-V315 HydrophobicContact CD1-CB 4.42Å; L294-V315 HydrophobicContact CD1-CG1 3.54Å; L294-V315 HydrophobicContact CD1-CG2 3.95Å; L294-V315 HydrophobicContact CD2-CG2 4.11Å; L294-V315 HydrophobicContact CG-CG1 4.34Å; L294-V315 HydrophobicContact CG-CG2 4.22Å; M296-V315 HydrophobicContact CE-CG2 4.4Å; M296-V315 HydrophobicContact SD-CG2 3.93Å; L312-V315 HydrophobicContact CD1-CG2 4.47Å; L312-V315 WeakPolarHBondContact O-CB 3.41Å; L312-V315 PolarHBondContact O-N 3.26Å; V315-Y318 HydrophobicContact CG1-CD1 4.4Å; V315-V358 HydrophobicContact CG2-CB 4.44Å; V315-V358 HydrophobicContact CG2-CG1 4.46Å; V315-V358 HydrophobicContact CG2-CG2 3.97Å
316	L	93.1	Very high	94.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	-52.5	178.8	-162.2	163.8	0	0	0	110.2	R60 T61 Y64 V295 K297 T333	R60-L316 PolarHBondContact N-O 3.38Å; T61-L316 PolarHBondContact N-O 2.8Å; T61-L316 WeakPolarHBondContact O-CD2 3.5Å; Y64-L316 HydrophobicContact CD1-CD1 3.57Å; Y64-L316 HydrophobicContact CD2-CD1 4.17Å; Y64-L316 HydrophobicContact CE1-CD1 4.04Å; Y64-L316 HydrophobicContact CG-CD1 3.63Å; V295-L316 HydrophobicContact CG1-CB 4.4Å; V295-L316 WeakPolarHBondContact O-CB 3.32Å; V295-L316 PolarHBondContact O-N 2.96Å; K297-L316 HydrophobicContact CG-CB 4.38Å; K297-L316 HydrophobicContact CG-CD1 4.39Å; L316-T333 HydrophobicContact CD1-CG2 3.63Å
317	R	94.8	Very high	94.2	Very high	49 Å²	49	47.2 Å²	47.2	19%	0.185	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	156.6	177.1	-76.7	177.2	175	95.3	0.3	111.2	L57 N58 I59 V295	L57-R317 HydrophobicContact CB-CB 3.96Å; L57-R317 HydrophobicContact CB-CG 4.38Å; L57-R317 HydrophobicContact CD1-CB 4.23Å; N58-R317 CarbonylContact O-C 3.58Å; N58-R317 WeakPolarHBondContact O-CA 3.27Å; N58-R317 WeakPolarHBondContact O-CB 3.43Å; N58-R317 WeakPolarHBondContact O-CG 3.46Å; I59-R317 HydrophobicContact CG1-CG 4.34Å; V295-R317 HydrophobicContact CB-CB 3.96Å; V295-R317 HydrophobicContact CG2-CB 3.89Å; V295-R317 PolarHBondContact N-O 3.5Å; V295-R317 PolarHBondContact O-N 2.91Å
318	Y	96.1	Very high	94.4	Very high	10 Å²	10	45 Å²	45	4%	0.039	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	149.5	179.7	55.3	-79.9	0	0	0	111.1	N58 R60 V315 T347 I350 S351	N58-Y318 HydrophobicContact CB-CD1 4.11Å; N58-Y318 HydrophobicContact CB-CD2 3.82Å; N58-Y318 HydrophobicContact CB-CE1 3.75Å; N58-Y318 HydrophobicContact CB-CE2 3.47Å; N58-Y318 VanDerWaalsContact CB-CE2 3.47Å; N58-Y318 HydrophobicContact CB-CG 4.13Å; N58-Y318 VanDerWaalsContact CB-CZ 3.42Å; N58-Y318 PolarHBondContact N-O 3.03Å; N58-Y318 PolarHBondContact O-N 2.94Å; R60-Y318 HydrophobicContact CB-CD1 4.27Å; R60-Y318 HydrophobicContact CB-CE1 3.97Å; V315-Y318 HydrophobicContact CG1-CD1 4.4Å; Y318-T347 HydrophobicContact CD2-CG2 3.94Å; Y318-T347 HydrophobicContact CE2-CG2 3.62Å; Y318-I350 HydrophobicContact CD1-CG2 3.59Å; Y318-I350 HydrophobicContact CD2-CB 4.33Å; Y318-I350 HydrophobicContact CD2-CD1 4.47Å; Y318-I350 HydrophobicContact CD2-CG2 3.94Å; Y318-I350 HydrophobicContact CE1-CG2 3.69Å; Y318-I350 HydrophobicContact CE2-CB 4.25Å; Y318-I350 HydrophobicContact CE2-CG2 4Å; Y318-I350 HydrophobicContact CG-CG2 3.73Å; Y318-S351 WeakPolarHBondContact OH-CB 3.03Å
319	E	96.3	Very high	94.7	Very high	37 Å²	37	43.5 Å²	43.5	17%	0.173	23%	0.232	C	C	.	.			trans	-69.3	155.4	174	-150.2	82.7	-141	0	0	111.5	L57 K292 R293 I322	L57-E319 HydrophobicContact CD2-CB 4.21Å; L57-E319 HydrophobicContact CD2-CG 4.3Å; L57-E319 WeakPolarHBondContact CD2-OE2 3.46Å; K292-E319 HydrophobicContact CB-CB 3.95Å; K292-E319 HydrophobicContact CB-CG 4.2Å; K292-E319 HydrophobicContact CG-CB 4.4Å; K292-E319 HydrophobicContact CG-CG 4.22Å; R293-E319 WeakPolarHBondContact CB-OE2 3.46Å; R293-E319 IonicContact CZ-OE1 3.58Å; R293-E319 IonicContact CZ-OE2 3.74Å; R293-E319 VanDerWaalsContact CZ-OE2 3.29Å; R293-E319 PolarHBondContact N-OE2 2.91Å; R293-E319 IonicContact NE-OE1 3.54Å; R293-E319 IonicContact NE-OE2 3.61Å; R293-E319 PolarHBondContact NE-OE2 2.83Å; R293-E319 VanDerWaalsContact NH2-CD 3.34Å; R293-E319 IonicContact NH2-OE1 2.87Å; R293-E319 PolarHBondContact NH2-OE1 3.4Å; R293-E319 IonicContact NH2-OE2 2.79Å; R293-E319 PolarHBondContact NH2-OE2 2.83Å; R293-E319 VanDerWaalsContact NH2-OE2 3.12Å; R293-E319 PolarHBondContact O-N 3.07Å; E319-I322 HydrophobicContact CB-CD1 4.09Å; E319-I322 HydrophobicContact CB-CG1 4.15Å; E319-I322 WeakPolarHBondContact O-CD1 3.31Å
320	D	94.6	Very high	95	Very high	109 Å²	109	38.8 Å²	38.8	58%	0.583	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	156.6	168	-169.6	32.8	0	0	0	112.6	I322	D320-I322 VanDerWaalsContact C-N 3.26Å; D320-I322 PolarHBondContact O-N 3.48Å
321	G	95.1	Very high	95.1	Very high	27 Å²	27	38.8 Å²	38.8	28%	0.278	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	13.6	177.2	0	0	0	0	0	115.7	K292 E323 T347	K292-G321 VanDerWaalsContact NZ-C 3.29Å; K292-G321 PolarHBondContact NZ-O 2.67Å; G321-E323 PolarHBondContact O-N 3.47Å; G321-T347 PolarHBondContact N-OG1 2.76Å; G321-T347 VanDerWaalsContact N-OG1 3.09Å
322	I	96.8	Very high	95.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.198	C	C	.	.			trans	-58.1	124.9	172.4	-62.9	173.1	0	0	0	109.9	K292 E319 D320 I328 A343 T346 T347	K292-I322 HydrophobicContact CB-CG1 4.11Å; K292-I322 HydrophobicContact CD-CG1 3.88Å; E319-I322 HydrophobicContact CB-CD1 4.09Å; E319-I322 HydrophobicContact CB-CG1 4.15Å; E319-I322 WeakPolarHBondContact O-CD1 3.31Å; D320-I322 VanDerWaalsContact C-N 3.26Å; D320-I322 PolarHBondContact O-N 3.48Å; I322-I328 HydrophobicContact CG2-CG2 4.29Å; I322-A343 HydrophobicContact CG2-CB 3.6Å; I322-T346 CarbonylContact O-C 3.6Å; I322-T346 WeakPolarHBondContact O-CA 3.34Å; I322-T347 PolarHBondContact N-OG1 3.34Å; I322-T347 PolarHBondContact O-N 3.05Å; I322-T347 PolarHBondContact O-OG1 2.98Å
323	E	96.5	Very high	95.3	Very high	108 Å²	108	37 Å²	37	51%	0.505	20%	0.204	S	C	.	.			trans	-106.8	157.5	176.3	-66.1	-54.6	144.2	0	0	112.2	G321 Q326 A343	G321-E323 PolarHBondContact O-N 3.47Å; E323-Q326 WeakPolarHBondContact O-CB 3.34Å; E323-Q326 PolarHBondContact O-N 3.29Å; E323-A343 WeakPolarHBondContact O-CB 3.24Å
324	V	96.2	Very high	95.4	Very high	70 Å²	70	35.2 Å²	35.2	42%	0.424	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	141.3	176	-173.1	0	0	0	0	110	Q326 T346	V324-Q326 PolarHBondContact O-N 3.21Å; V324-T346 HydrophobicContact CG2-CG2 3.59Å
325	N	95.8	Very high	95.6	Very high	121 Å²	121	34.8 Å²	34.8	65%	0.647	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.1	7.6	-175.9	-58.3	-48.5	0	0	0	115.5	V342 A343	N325-V342 HydrophobicContact CB-CG1 4.4Å; N325-A343 PolarHBondContact N-O 2.83Å
326	Q	95.4	Very high	95.7	Very high	63 Å²	63	35.1 Å²	35.1	29%	0.294	19%	0.185	S	C	.	.			trans	-73.9	139.2	173.2	-170.8	167.6	15.6	0	0	111.4	E323 V324 I328 V342 A343	E323-Q326 WeakPolarHBondContact O-CB 3.34Å; E323-Q326 PolarHBondContact O-N 3.29Å; V324-Q326 PolarHBondContact O-N 3.21Å; Q326-I328 PolarHBondContact O-N 3.12Å; Q326-V342 WeakPolarHBondContact O-CA 3.49Å; Q326-A343 PolarHBondContact O-N 2.91Å
327	D	95.1	Very high	96	Very high	65 Å²	65	35.3 Å²	35.3	35%	0.348	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	124.5	169.9	-81.2	-24.5	0	0	0	110.1	K362	D327-K362 IonicContact OD1-NZ 3.55Å; D327-K362 PolarHBondContact OD1-NZ 2.97Å; D327-K362 IonicContact OD2-NZ 3.29Å; D327-K362 PolarHBondContact OD2-NZ 3.16Å
328	I	97	Very high	96.1	Very high	2 Å²	2	33 Å²	33	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	159.7	-179.9	64.2	168.9	0	0	0	111.1	K292 L294 I322 Q326 T340 A341 A343 A359	K292-I328 HydrophobicContact CB-CG2 4.17Å; K292-I328 WeakPolarHBondContact O-CA 3.29Å; K292-I328 WeakPolarHBondContact O-CB 3.28Å; L294-I328 HydrophobicContact CB-CD1 4.26Å; L294-I328 HydrophobicContact CD2-CD1 4.31Å; I322-I328 HydrophobicContact CG2-CG2 4.29Å; Q326-I328 PolarHBondContact O-N 3.12Å; I328-T340 WeakPolarHBondContact O-CA 3.5Å; I328-A341 HydrophobicContact CG1-CB 4.1Å; I328-A341 WeakPolarHBondContact CG1-O 3.33Å; I328-A341 PolarHBondContact N-O 2.8Å; I328-A341 PolarHBondContact O-N 3.27Å; I328-A343 HydrophobicContact CD1-CB 4.26Å; I328-A343 HydrophobicContact CG2-CB 4.23Å; I328-A359 HydrophobicContact CD1-CB 3.87Å
329	V	97.8	Very high	96.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	133.7	171.6	65.8	0	0	0	0	110.2	L50 L288 H291 K292 R293 L294 I331 A337	L50-V329 HydrophobicContact CD1-CG2 4.33Å; L50-V329 HydrophobicContact CD2-CG1 4.42Å; L288-V329 HydrophobicContact CB-CG2 4.17Å; L288-V329 HydrophobicContact CD1-CG2 3.8Å; H291-V329 HydrophobicContact CB-CB 3.94Å; H291-V329 HydrophobicContact CB-CG1 3.83Å; K292-V329 PolarHBondContact O-N 3.38Å; R293-V329 CarbonylContact C-O 3.55Å; R293-V329 WeakPolarHBondContact CA-O 3.29Å; R293-V329 HydrophobicContact CB-CG1 4.43Å; R293-V329 HydrophobicContact CG-CG1 3.8Å; L294-V329 PolarHBondContact N-O 3.19Å; V329-I331 HydrophobicContact CG1-CG2 4.26Å; V329-I331 HydrophobicContact CG2-CG2 3.91Å; V329-A337 HydrophobicContact CG2-CB 4.34Å
330	V	97.9	Very high	96.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	123.7	177.8	-170.8	0	0	0	0	108.1	L294 M296 I304 I310 I338 C339 A341	L294-V330 HydrophobicContact CB-CG2 4.47Å; L294-V330 HydrophobicContact CD2-CG2 4.47Å; L294-V330 CarbonylContact O-C 3.55Å; L294-V330 WeakPolarHBondContact O-CA 3.22Å; M296-V330 HydrophobicContact CG-CG1 3.26Å; M296-V330 HydrophobicContact SD-CG1 4.09Å; I304-V330 HydrophobicContact CD1-CG1 4.48Å; I310-V330 HydrophobicContact CD1-CG2 3.67Å; V330-I338 HydrophobicContact CG1-CD1 4.25Å; V330-I338 WeakPolarHBondContact O-CB 3.45Å; V330-I338 PolarHBondContact O-N 2.6Å; V330-C339 PolarHBondContact N-O 3.11Å; V330-C339 PolarHBondContact O-N 3.34Å; V330-A341 HydrophobicContact CG2-CB 3.85Å
331	I	97.8	Very high	96.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	157.2	-171.9	67.1	175.6	0	0	0	112.7	L50 R293 L294 V295 M296 V329 E336	L50-I331 HydrophobicContact CB-CD1 4.16Å; L50-I331 HydrophobicContact CB-CG2 4.28Å; L50-I331 HydrophobicContact CD1-CG2 3.57Å; L50-I331 HydrophobicContact CG-CG2 4.48Å; R293-I331 HydrophobicContact CB-CD1 4.3Å; R293-I331 HydrophobicContact CG-CD1 4.41Å; L294-I331 PolarHBondContact O-N 2.84Å; V295-I331 WeakPolarHBondContact CA-O 3.48Å; V295-I331 HydrophobicContact CB-CG1 4.42Å; V295-I331 HydrophobicContact CG2-CD1 4.03Å; V295-I331 HydrophobicContact CG2-CG1 3.9Å; M296-I331 PolarHBondContact N-O 3.24Å; V329-I331 HydrophobicContact CG1-CG2 4.26Å; V329-I331 HydrophobicContact CG2-CG2 3.91Å; I331-E336 CarbonylContact C-O 3.44Å; I331-E336 WeakPolarHBondContact CA-O 3.16Å; I331-E336 WeakPolarHBondContact CB-O 3.21Å
332	T	96.6	Very high	96.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.14	C	C	.	.			trans	-78.8	168.9	167.9	69	0	0	0	0	110.8	V301 K334 G335 E336 I338 M366 Y371	V301-T332 HydrophobicContact CG1-CG2 4.19Å; V301-T332 HydrophobicContact CG2-CG2 3.98Å; T332-K334 PolarHBondContact O-N 3.32Å; T332-K334 PolarHBondContact OG1-N 3.19Å; T332-G335 PolarHBondContact O-N 3.1Å; T332-G335 PolarHBondContact OG1-N 2.81Å; T332-E336 HydrophobicContact CG2-CB 4.07Å; T332-E336 PolarHBondContact N-O 2.88Å; T332-E336 WeakPolarHBondContact OG1-CB 3.48Å; T332-E336 PolarHBondContact OG1-N 2.94Å; T332-E336 VanDerWaalsContact OG1-N 3.16Å; T332-E336 PolarHBondContact OG1-OE2 2.81Å; T332-I338 HydrophobicContact CG2-CD1 3.76Å; T332-I338 HydrophobicContact CG2-CG1 3.65Å; T332-M366 HydrophobicContact CG2-CE 3.69Å; T332-Y371 HydrophobicContact CG2-CE2 4.02Å
333	T	92.9	Very high	96.4	Very high	22 Å²	22	26.7 Å²	26.7	14%	0.135	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-21.9	169.5	55.2	0	0	0	0	113.1	Y64 V295 D298 L316 G335	Y64-T333 HydrophobicContact CD2-CG2 4.27Å; Y64-T333 HydrophobicContact CE1-CG2 4.41Å; Y64-T333 HydrophobicContact CE2-CG2 3.68Å; V295-T333 HydrophobicContact CG1-CG2 4.11Å; D298-T333 PolarHBondContact OD1-OG1 2.97Å; L316-T333 HydrophobicContact CD1-CG2 3.63Å; T333-G335 VanDerWaalsContact C-N 3.32Å
334	K	93.8	Very high	96.4	Very high	45 Å²	45	25.2 Å²	25.2	20%	0.196	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-1.6	176.3	-52.7	-174.2	-179.4	86.6	0	113.2	I67 C69 N72 P73 D298 T332 E336 Y371	I67-K334 PolarHBondContact O-NZ 3.2Å; C69-K334 VanDerWaalsContact O-CE 3.25Å; C69-K334 WeakPolarHBondContact O-CE 3.43Å; C69-K334 PolarHBondContact O-NZ 3.46Å; N72-K334 WeakPolarHBondContact CA-O 3.33Å; P73-K334 WeakPolarHBondContact CD-O 3.48Å; D298-K334 IonicContact OD2-NZ 3.75Å; T332-K334 PolarHBondContact O-N 3.32Å; T332-K334 PolarHBondContact OG1-N 3.19Å; K334-E336 HydrophobicContact CB-CG 4.35Å; K334-Y371 PolarHBondContact NZ-OH 3.46Å; K334-Y371 VanDerWaalsContact NZ-OH 3.08Å
335	G	94.5	Very high	96.3	Very high	2 Å²	2	23 Å²	23	2%	0.021	12%	0.121	C	C	.	.			trans	83.6	13.6	-180	0	0	0	0	0	114.9	P73 E285 T332 T333	P73-G335 WeakPolarHBondContact CG-O 3.45Å; E285-G335 WeakPolarHBondContact CG-O 3.44Å; T332-G335 PolarHBondContact O-N 3.1Å; T332-G335 PolarHBondContact OG1-N 2.81Å; T333-G335 VanDerWaalsContact C-N 3.32Å
336	E	96.7	Very high	96.4	Very high	8 Å²	8	18.7 Å²	18.7	4%	0.037	10%	0.1	C	C	.	.			trans	-80.5	137.3	178.4	-56.8	164.4	107.5	0	0	110.3	S71 I331 T332 K334 I338 M366 Y371	S71-E336 PolarHBondContact N-OE1 2.82Å; S71-E336 WeakPolarHBondContact O-CG 3.49Å; S71-E336 VanDerWaalsContact O-OE1 3.05Å; I331-E336 CarbonylContact C-O 3.44Å; I331-E336 WeakPolarHBondContact CA-O 3.16Å; I331-E336 WeakPolarHBondContact CB-O 3.21Å; T332-E336 HydrophobicContact CG2-CB 4.07Å; T332-E336 PolarHBondContact N-O 2.88Å; T332-E336 WeakPolarHBondContact OG1-CB 3.48Å; T332-E336 PolarHBondContact OG1-N 2.94Å; T332-E336 VanDerWaalsContact OG1-N 3.16Å; T332-E336 PolarHBondContact OG1-OE2 2.81Å; K334-E336 HydrophobicContact CB-CG 4.35Å; E336-I338 PolarHBondContact O-N 2.9Å; E336-M366 HydrophobicContact CB-CE 3.63Å; E336-M366 HydrophobicContact CG-CE 4.5Å; E336-Y371 PolarHBondContact OE2-OH 3.16Å
337	A	97.6	Very high	96.4	Very high	3 Å²	3	16.5 Å²	16.5	3%	0.025	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	115	175.4	0	0	0	0	0	111.1	L50 L284 E285 L288 V329 I365	L50-A337 HydrophobicContact CD1-CB 4.23Å; L284-A337 HydrophobicContact CD1-CB 3.89Å; E285-A337 HydrophobicContact CG-CB 4.05Å; E285-A337 PolarHBondContact OE1-N 3.08Å; L288-A337 HydrophobicContact CD1-CB 3.62Å; V329-A337 HydrophobicContact CG2-CB 4.34Å; A337-I365 HydrophobicContact CB-CD1 3.99Å
338	I	97.4	Very high	96.4	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	-55.5	177.9	-53.7	169.2	0	0	0	109.3	M296 V301 I304 V330 T332 E336 I365 M366	M296-I338 HydrophobicContact CB-CD1 4.1Å; M296-I338 HydrophobicContact CG-CD1 4.25Å; V301-I338 HydrophobicContact CB-CD1 4.33Å; V301-I338 HydrophobicContact CG1-CD1 3.97Å; V301-I338 HydrophobicContact CG1-CG1 4.09Å; V301-I338 HydrophobicContact CG1-CG2 4.32Å; V301-I338 HydrophobicContact CG2-CD1 3.81Å; I304-I338 HydrophobicContact CB-CG2 4.07Å; I304-I338 HydrophobicContact CG2-CG2 3.65Å; V330-I338 HydrophobicContact CG1-CD1 4.25Å; V330-I338 WeakPolarHBondContact O-CB 3.45Å; V330-I338 PolarHBondContact O-N 2.6Å; T332-I338 HydrophobicContact CG2-CD1 3.76Å; T332-I338 HydrophobicContact CG2-CG1 3.65Å; E336-I338 PolarHBondContact O-N 2.9Å; I338-I365 PolarHBondContact O-N 3.3Å; I338-M366 HydrophobicContact CG1-CE 3.98Å; I338-M366 HydrophobicContact CG1-SD 4.42Å; I338-M366 HydrophobicContact CG2-CB 4.5Å; I338-M366 PolarHBondContact O-N 3.33Å
339	C	97.3	Very high	96.3	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	158.2	-178.8	65.3	0	0	0	0	111.8	I304 V330 I361 R363	I304-C339 HydrophobicContact CG2-CB 4.46Å; I304-C339 VanDerWaalsContact CG2-SG 3.59Å; V330-C339 PolarHBondContact N-O 3.11Å; V330-C339 PolarHBondContact O-N 3.34Å; C339-I361 HydrophobicContact CB-CG2 4.3Å; C339-R363 CarbonylContact C-O 3.53Å; C339-R363 WeakPolarHBondContact CA-O 3.43Å; C339-R363 WeakPolarHBondContact CB-O 3.26Å
340	T	96.8	Very high	96.1	Very high	16 Å²	16	19 Å²	19	10%	0.098	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	140.2	158.4	59.5	0	0	0	0	109.2	L137 L288 I328 K362 R363 I365	L137-T340 HydrophobicContact CD2-CG2 4.36Å; L288-T340 HydrophobicContact CD2-CG2 4.07Å; I328-T340 WeakPolarHBondContact O-CA 3.5Å; T340-K362 WeakPolarHBondContact O-CA 3.49Å; T340-K362 WeakPolarHBondContact O-CB 3.41Å; T340-K362 PolarHBondContact O-N 3.09Å; T340-R363 PolarHBondContact N-O 3.01Å; T340-R363 PolarHBondContact O-N 3.32Å; T340-R363 WeakPolarHBondContact OG1-CB 3.47Å; T340-R363 PolarHBondContact OG1-N 3.38Å; T340-I365 HydrophobicContact CG2-CD1 4.25Å
341	A	96.8	Very high	95.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	164.6	-178	0	0	0	0	0	111.1	I310 I328 V330 A359 K360	I310-A341 HydrophobicContact CD1-CB 3.74Å; I328-A341 HydrophobicContact CG1-CB 4.1Å; I328-A341 WeakPolarHBondContact CG1-O 3.33Å; I328-A341 PolarHBondContact N-O 2.8Å; I328-A341 PolarHBondContact O-N 3.27Å; V330-A341 HydrophobicContact CG2-CB 3.85Å; A341-A359 HydrophobicContact CB-CB 3.9Å; A341-K360 CarbonylContact C-O 3.58Å; A341-K360 VanDerWaalsContact CA-O 3.27Å; A341-K360 WeakPolarHBondContact CA-O 3.35Å; A341-K360 WeakPolarHBondContact CB-O 3.39Å
342	V	96.8	Very high	95.6	Very high	34 Å²	34	27.2 Å²	27.2	21%	0.206	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	124.5	172.1	179.8	0	0	0	0	107.5	N325 Q326 A359 K360 K362	N325-V342 HydrophobicContact CB-CG1 4.4Å; Q326-V342 WeakPolarHBondContact O-CA 3.49Å; V342-A359 CarbonylContact O-C 3.56Å; V342-A359 VanDerWaalsContact O-CA 3.28Å; V342-A359 WeakPolarHBondContact O-CA 3.42Å; V342-A359 WeakPolarHBondContact O-CB 3.36Å; V342-K360 PolarHBondContact N-O 3.1Å; V342-K360 PolarHBondContact O-N 2.74Å; V342-K362 HydrophobicContact CG2-CB 4.42Å; V342-K362 HydrophobicContact CG2-CD 4.25Å
343	A	97.1	Very high	95.4	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.008	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	133.9	179.8	0	0	0	0	0	111.2	I322 E323 N325 Q326 I328	I322-A343 HydrophobicContact CG2-CB 3.6Å; E323-A343 WeakPolarHBondContact O-CB 3.24Å; N325-A343 PolarHBondContact N-O 2.83Å; Q326-A343 PolarHBondContact O-N 2.91Å; I328-A343 HydrophobicContact CD1-CB 4.26Å; I328-A343 HydrophobicContact CG2-CB 4.23Å
344	L	96.4	Very high	95.1	Very high	78 Å²	78	34.5 Å²	34.5	41%	0.408	21%	0.208	S	C	.	.	S	Bend	trans	-107.8	-10.9	173.9	-61.7	-177.5	0	0	0	112.3	V357 V358 K360	L344-V357 HydrophobicContact CD1-CB 4.25Å; L344-V357 HydrophobicContact CD1-CG1 3.83Å; L344-V358 PolarHBondContact N-O 2.82Å; L344-K360 HydrophobicContact CD1-CB 4.2Å; L344-K360 HydrophobicContact CD2-CB 4.46Å; L344-K360 HydrophobicContact CG-CB 4.36Å
345	M	95.6	Very high	94.8	Very high	22 Å²	22	38 Å²	38	11%	0.108	23%	0.226	C	C	.	.	S	Bend	trans	-125.7	144.6	178	-67.1	-179.7	165.6	0	0	109.3	V349 I350 V358	M345-V349 HydrophobicContact CB-CB 4.19Å; M345-V349 HydrophobicContact CB-CG1 3.95Å; M345-V349 HydrophobicContact CE-CG1 4.41Å; M345-V349 HydrophobicContact CG-CG1 3.81Å; M345-V349 HydrophobicContact SD-CG1 4.06Å; M345-I350 HydrophobicContact CB-CD1 4.41Å; M345-I350 HydrophobicContact CB-CG1 3.76Å; M345-I350 HydrophobicContact SD-CG1 4.49Å; M345-V358 PolarHBondContact N-O 2.85Å; M345-V358 HydrophobicContact SD-CB 4.43Å; M345-V358 HydrophobicContact SD-CG2 3.95Å
346	T	96.9	Very high	94.6	Very high	32 Å²	32	38.3 Å²	38.3	20%	0.196	23%	0.228	C	C	.	.			trans	-78.9	166.2	169	64.8	0	0	0	0	110.7	I322 V324 A348 V349 I350	I322-T346 CarbonylContact O-C 3.6Å; I322-T346 WeakPolarHBondContact O-CA 3.34Å; V324-T346 HydrophobicContact CG2-CG2 3.59Å; T346-A348 VanDerWaalsContact C-N 3.26Å; T346-A348 PolarHBondContact O-N 2.92Å; T346-V349 PolarHBondContact O-N 2.95Å; T346-V349 VanDerWaalsContact O-N 3.12Å; T346-V349 WeakPolarHBondContact OG1-CG2 3.43Å; T346-V349 PolarHBondContact OG1-N 2.81Å; T346-I350 WeakPolarHBondContact O-CG1 3.28Å; T346-I350 PolarHBondContact O-N 2.87Å
347	T	96.1	Very high	94.6	Very high	17 Å²	17	39.2 Å²	39.2	10%	0.104	24%	0.235	C	C	.	.	H	α-helix	trans	-51.2	-44.7	174.6	-50	0	0	0	0	112.9	Y318 G321 I322 V349 I350 S351	Y318-T347 HydrophobicContact CD2-CG2 3.94Å; Y318-T347 HydrophobicContact CE2-CG2 3.62Å; G321-T347 PolarHBondContact N-OG1 2.76Å; G321-T347 VanDerWaalsContact N-OG1 3.09Å; I322-T347 PolarHBondContact N-OG1 3.34Å; I322-T347 PolarHBondContact O-N 3.05Å; I322-T347 PolarHBondContact O-OG1 2.98Å; T347-V349 PolarHBondContact O-N 3.05Å; T347-I350 PolarHBondContact O-N 3.06Å; T347-S351 PolarHBondContact O-N 2.9Å
348	A	94.7	Very high	94.4	Very high	65 Å²	65	39.2 Å²	39.2	54%	0.537	23%	0.234	S	C	.	.	H	α-helix	trans	-63.6	-42.2	180	0	0	0	0	0	111.8	T346 S351 T352	T346-A348 VanDerWaalsContact C-N 3.26Å; T346-A348 PolarHBondContact O-N 2.92Å; A348-S351 WeakPolarHBondContact O-CB 3.5Å; A348-S351 PolarHBondContact O-N 3.41Å; A348-T352 PolarHBondContact O-N 2.83Å; A348-T352 PolarHBondContact O-OG1 3.48Å
349	V	94.3	Very high	94.4	Very high	52 Å²	52	39.2 Å²	39.2	32%	0.315	23%	0.234	S	C	.	.	H	α-helix	trans	-67.8	-39.1	179.3	175.9	0	0	0	0	111.3	M345 T346 T347 S351 T352 C353	M345-V349 HydrophobicContact CB-CB 4.19Å; M345-V349 HydrophobicContact CB-CG1 3.95Å; M345-V349 HydrophobicContact CE-CG1 4.41Å; M345-V349 HydrophobicContact CG-CG1 3.81Å; M345-V349 HydrophobicContact SD-CG1 4.06Å; T346-V349 PolarHBondContact O-N 2.95Å; T346-V349 VanDerWaalsContact O-N 3.12Å; T346-V349 WeakPolarHBondContact OG1-CG2 3.43Å; T346-V349 PolarHBondContact OG1-N 2.81Å; T347-V349 PolarHBondContact O-N 3.05Å; V349-S351 PolarHBondContact O-N 2.82Å; V349-T352 PolarHBondContact O-N 3.32Å; V349-C353 VanDerWaalsContact CG1-SG 3.55Å; V349-C353 VanDerWaalsContact O-CB 3.31Å; V349-C353 WeakPolarHBondContact O-CB 3.49Å; V349-C353 PolarHBondContact O-N 3.09Å
350	I	94.4	Very high	94.3	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-60.4	-33.6	175	-65.8	168.4	0	0	0	111.1	R60 L312 Y318 M345 T346 T347 V358	R60-I350 PolarHBondContact NE-O 2.91Å; L312-I350 HydrophobicContact CD1-CG2 3.89Å; Y318-I350 HydrophobicContact CD1-CG2 3.59Å; Y318-I350 HydrophobicContact CD2-CB 4.33Å; Y318-I350 HydrophobicContact CD2-CD1 4.47Å; Y318-I350 HydrophobicContact CD2-CG2 3.94Å; Y318-I350 HydrophobicContact CE1-CG2 3.69Å; Y318-I350 HydrophobicContact CE2-CB 4.25Å; Y318-I350 HydrophobicContact CE2-CG2 4Å; Y318-I350 HydrophobicContact CG-CG2 3.73Å; M345-I350 HydrophobicContact CB-CD1 4.41Å; M345-I350 HydrophobicContact CB-CG1 3.76Å; M345-I350 HydrophobicContact SD-CG1 4.49Å; T346-I350 WeakPolarHBondContact O-CG1 3.28Å; T346-I350 PolarHBondContact O-N 2.87Å; T347-I350 PolarHBondContact O-N 3.06Å; I350-V358 HydrophobicContact CD1-CG1 3.78Å; I350-V358 HydrophobicContact CG1-CG1 4.01Å
351	S	93.2	Very high	94.3	Very high	66 Å²	66	46.9 Å²	46.9	46%	0.462	27%	0.267	S	S	.	.	H	α-helix	trans	-73.7	-38.1	179.5	-165.4	0	0	0	0	113.4	Y318 T347 A348 V349	Y318-S351 WeakPolarHBondContact OH-CB 3.03Å; T347-S351 PolarHBondContact O-N 2.9Å; A348-S351 WeakPolarHBondContact O-CB 3.5Å; A348-S351 PolarHBondContact O-N 3.41Å; V349-S351 PolarHBondContact O-N 2.82Å
352	T	92.4	Very high	94.2	Very high	108 Å²	108	52.7 Å²	52.7	66%	0.663	29%	0.293	S	S	*	.	H	α-helix	trans	-99.1	-28.1	-170.1	55.9	0	0	0	0	114	A348 V349	A348-T352 PolarHBondContact O-N 2.83Å; A348-T352 PolarHBondContact O-OG1 3.48Å; V349-T352 PolarHBondContact O-N 3.32Å
353	C	92.2	Very high	94.1	Very high	40 Å²	40	57.5 Å²	57.5	27%	0.27	31%	0.307	S	S	.	.			trans	-75.4	147.5	-179.2	-72	0	0	0	0	112.7	R60 L312 V349	R60-C353 PolarHBondContact NH2-O 3.49Å; L312-C353 HydrophobicContact CD2-CB 3.95Å; L312-C353 WeakPolarHBondContact CD2-O 3.42Å; V349-C353 VanDerWaalsContact CG1-SG 3.55Å; V349-C353 VanDerWaalsContact O-CB 3.31Å; V349-C353 WeakPolarHBondContact O-CB 3.49Å; V349-C353 PolarHBondContact O-N 3.09Å
354	D	86.7	Confident	94.1	Very high	134 Å²	134	58.9 Å²	58.9	72%	0.717	32%	0.315	S	S	*	.	S	Bend	trans	-94	-28.4	174.4	-67.1	-43.1	0	0	0	113.2	R60	R60-D354 IonicContact NH2-OD1 3.76Å
355	H	87.1	Confident	94.1	Very high	120 Å²	120	55.3 Å²	55.3	56%	0.556	30%	0.297	S	S	*	.	S	Bend	trans	-141.2	159.5	-178.4	60.6	22.2	0	0	0	112.1
356	G	91.3	Very high	94.2	Very high	8 Å²	8	54.8 Å²	54.8	8%	0.082	29%	0.294	C	S	.	.	S	Bend	trans	137	177.6	171.3	0	0	0	0	0	113.8	M311 L312	M311-G356 WeakPolarHBondContact CA-O 3.46Å; L312-G356 PolarHBondContact N-O 3.38Å
357	V	94.9	Very high	94	Very high	27 Å²	27	56.6 Å²	56.6	16%	0.164	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	115.8	178.2	-172.3	0	0	0	0	108.6	K309 I310 M311 L344	K309-V357 HydrophobicContact CB-CG1 3.94Å; K309-V357 HydrophobicContact CB-CG2 4.4Å; K309-V357 HydrophobicContact CD-CG1 4.4Å; K309-V357 HydrophobicContact CD-CG2 3.95Å; K309-V357 HydrophobicContact CG-CG1 4.48Å; I310-V357 CarbonylContact O-C 3.55Å; M311-V357 HydrophobicContact CE-CG2 4.28Å; M311-V357 HydrophobicContact SD-CB 4.42Å; M311-V357 HydrophobicContact SD-CG2 3.71Å; L344-V357 HydrophobicContact CD1-CB 4.25Å; L344-V357 HydrophobicContact CD1-CG1 3.83Å
358	V	95.2	Very high	93.9	Very high	2 Å²	2	63.4 Å²	63.4	1%	0.012	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	-39.3	-177.9	179.4	0	0	0	0	111.3	L294 I310 L312 V315 L344 M345 I350	L294-V358 HydrophobicContact CD1-CG1 4.27Å; L294-V358 HydrophobicContact CD2-CG1 3.87Å; I310-V358 HydrophobicContact CG2-CB 4.39Å; I310-V358 PolarHBondContact O-N 3.36Å; L312-V358 HydrophobicContact CB-CG2 3.75Å; L312-V358 HydrophobicContact CD1-CG2 3.5Å; L312-V358 VanDerWaalsContact CD1-CG2 3.5Å; L312-V358 HydrophobicContact CG-CG2 4.22Å; V315-V358 HydrophobicContact CG2-CB 4.44Å; V315-V358 HydrophobicContact CG2-CG1 4.46Å; V315-V358 HydrophobicContact CG2-CG2 3.97Å; L344-V358 PolarHBondContact N-O 2.82Å; M345-V358 PolarHBondContact N-O 2.85Å; M345-V358 HydrophobicContact SD-CB 4.43Å; M345-V358 HydrophobicContact SD-CG2 3.95Å; I350-V358 HydrophobicContact CD1-CG1 3.78Å; I350-V358 HydrophobicContact CG1-CG1 4.01Å
359	A	96.1	Very high	93.8	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	149.5	-176.7	0	0	0	0	0	112.5	I310 I328 A341 V342	I310-A359 HydrophobicContact CB-CB 4.3Å; I310-A359 WeakPolarHBondContact CB-O 3.45Å; I310-A359 HydrophobicContact CD1-CB 3.79Å; I310-A359 PolarHBondContact N-O 3.14Å; I328-A359 HydrophobicContact CD1-CB 3.87Å; A341-A359 HydrophobicContact CB-CB 3.9Å; V342-A359 CarbonylContact O-C 3.56Å; V342-A359 VanDerWaalsContact O-CA 3.28Å; V342-A359 WeakPolarHBondContact O-CA 3.42Å; V342-A359 WeakPolarHBondContact O-CB 3.36Å
360	K	95.6	Very high	93.7	Very high	141 Å²	141	63.5 Å²	63.5	61%	0.613	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97	127.8	172.9	-175.8	177.6	178.8	179.6	0	109.5	A341 V342 L344 K362	A341-K360 CarbonylContact C-O 3.58Å; A341-K360 VanDerWaalsContact CA-O 3.27Å; A341-K360 WeakPolarHBondContact CA-O 3.35Å; A341-K360 WeakPolarHBondContact CB-O 3.39Å; V342-K360 PolarHBondContact N-O 3.1Å; V342-K360 PolarHBondContact O-N 2.74Å; L344-K360 HydrophobicContact CD1-CB 4.2Å; L344-K360 HydrophobicContact CD2-CB 4.46Å; L344-K360 HydrophobicContact CG-CB 4.36Å; K360-K362 PolarHBondContact O-N 3.29Å
361	I	96.4	Very high	93.7	Very high	37 Å²	37	63.5 Å²	63.5	19%	0.19	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	129.1	178.3	-62.5	174.4	0	0	0	110	I304 A308 I310 C339 V364	I304-I361 HydrophobicContact CG2-CD1 3.77Å; I304-I361 HydrophobicContact CG2-CG1 4.38Å; I304-I361 WeakPolarHBondContact O-CD1 3.36Å; A308-I361 WeakPolarHBondContact O-CD1 3.15Å; I310-I361 HydrophobicContact CD1-CG1 4.04Å; I310-I361 HydrophobicContact CG1-CG1 4.26Å; C339-I361 HydrophobicContact CB-CG2 4.3Å; I361-V364 HydrophobicContact CD1-CG2 4.45Å; I361-V364 HydrophobicContact CG2-CG2 3.78Å
362	K	94.4	Very high	93.6	Very high	122 Å²	122	62.8 Å²	62.8	53%	0.53	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-43.5	171.9	-172.2	177.1	-171.9	167.9	0	110.9	D327 T340 V342 K360	D327-K362 IonicContact OD1-NZ 3.55Å; D327-K362 PolarHBondContact OD1-NZ 2.97Å; D327-K362 IonicContact OD2-NZ 3.29Å; D327-K362 PolarHBondContact OD2-NZ 3.16Å; T340-K362 WeakPolarHBondContact O-CA 3.49Å; T340-K362 WeakPolarHBondContact O-CB 3.41Å; T340-K362 PolarHBondContact O-N 3.09Å; V342-K362 HydrophobicContact CG2-CB 4.42Å; V342-K362 HydrophobicContact CG2-CD 4.25Å; K360-K362 PolarHBondContact O-N 3.29Å
363	R	95.4	Very high	93.5	Very high	135 Å²	135	64.6 Å²	64.6	51%	0.509	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	121.8	180	-172.1	65	161.3	172.8	0.7	111.1	R136 C339 T340	R136-R363 PolarHBondContact O-NE 2.82Å; C339-R363 CarbonylContact C-O 3.53Å; C339-R363 WeakPolarHBondContact CA-O 3.43Å; C339-R363 WeakPolarHBondContact CB-O 3.26Å; T340-R363 PolarHBondContact N-O 3.01Å; T340-R363 PolarHBondContact O-N 3.32Å; T340-R363 WeakPolarHBondContact OG1-CB 3.47Å; T340-R363 PolarHBondContact OG1-N 3.38Å
364	V	97.1	Very high	93	Very high	30 Å²	30	67.5 Å²	67.5	18%	0.182	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	134.1	170.5	-178.2	0	0	0	0	109.7	R136 C305 I361	R136-V364 WeakPolarHBondContact CD-O 3.38Å; C305-V364 HydrophobicContact CB-CG1 4.46Å; I361-V364 HydrophobicContact CD1-CG2 4.45Å; I361-V364 HydrophobicContact CG2-CG2 3.78Å
365	I	96.7	Very high	92.4	Very high	3 Å²	3	66.8 Å²	66.8	2%	0.015	30%	0.299	C	S	.	.			trans	-109.7	-50	-179.2	-57.1	162.2	0	0	0	110.1	R136 L137 L284 L288 A337 I338 T340	R136-I365 PolarHBondContact NH1-O 2.99Å; L137-I365 HydrophobicContact CD2-CD1 3.72Å; L137-I365 HydrophobicContact CD2-CG1 3.95Å; L137-I365 HydrophobicContact CG-CD1 4.46Å; L284-I365 HydrophobicContact CD1-CG2 3.76Å; L284-I365 HydrophobicContact CD2-CG2 3.77Å; L284-I365 HydrophobicContact CG-CG2 4.48Å; L288-I365 HydrophobicContact CD1-CD1 3.75Å; A337-I365 HydrophobicContact CB-CD1 3.99Å; I338-I365 PolarHBondContact O-N 3.3Å; T340-I365 HydrophobicContact CG2-CD1 4.25Å
366	M	96.4	Very high	91.3	Very high	11 Å²	11	62.4 Å²	62.4	5%	0.054	29%	0.286	C	S	.	.	S	Bend	trans	-63	150.7	-179.3	-178.2	174.9	-70.1	0	0	111.8	R136 V301 T332 E336 I338 T370 Y371	R136-M366 PolarHBondContact NH1-O 3.18Å; R136-M366 VanDerWaalsContact NH1-O 3.11Å; V301-M366 HydrophobicContact CG1-CE 4.37Å; V301-M366 HydrophobicContact CG1-SD 3.45Å; V301-M366 WeakPolarHBondContact CG1-SD 3.47Å; T332-M366 HydrophobicContact CG2-CE 3.69Å; E336-M366 HydrophobicContact CB-CE 3.63Å; E336-M366 HydrophobicContact CG-CE 4.5Å; I338-M366 HydrophobicContact CG1-CE 3.98Å; I338-M366 HydrophobicContact CG1-SD 4.42Å; I338-M366 HydrophobicContact CG2-CB 4.5Å; I338-M366 PolarHBondContact O-N 3.33Å; M366-T370 HydrophobicContact CG-CG2 4.39Å; M366-T370 HydrophobicContact SD-CG2 4.3Å; M366-Y371 HydrophobicContact CE-CE2 4.16Å; M366-Y371 HydrophobicContact SD-CD2 3.87Å; M366-Y371 HydrophobicContact SD-CE2 3.99Å
367	E	94.1	Very high	90.3	Very high	70 Å²	70	67.2 Å²	67.2	33%	0.327	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-74.5	148.9	175.4	-68.4	-60.4	164.5	0	0	111.7	R133 R136 T370	R133-E367 WeakPolarHBondContact CD-OE1 3.47Å; R133-E367 HydrophobicContact CG-CG 4.4Å; R133-E367 WeakPolarHBondContact CG-OE1 3.07Å; R136-E367 IonicContact CZ-OE1 2.82Å; R136-E367 IonicContact CZ-OE2 3.59Å; R136-E367 IonicContact NH1-OE2 3.16Å; R136-E367 IonicContact NH2-OE1 3.82Å; R136-E367 PolarHBondContact NH2-OE1 3.34Å; R136-E367 IonicContact NH2-OE2 3.88Å; R136-E367 PolarHBondContact NH2-OE2 3.28Å; E367-T370 PolarHBondContact O-N 3.08Å; E367-T370 PolarHBondContact O-OG1 3.26Å
368	R	94.1	Very high	89.1	Confident	159 Å²	159	67.5 Å²	67.5	60%	0.6	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	144.8	170.8	-65.3	175.9	-176.4	169.1	0.5	108.8	C305 Y306 T370	C305-R368 HydrophobicContact CB-CG 4.47Å; Y306-R368 HydrophobicContact CE1-CG 4.49Å; Y306-R368 HydrophobicContact CE2-CB 4.11Å; Y306-R368 HydrophobicContact CE2-CG 4.34Å; R368-T370 PolarHBondContact O-N 2.89Å; R368-T370 VanDerWaalsContact O-N 3.09Å
369	D	92.4	Very high	88	Confident	80 Å²	80	72.4 Å²	72.4	43%	0.428	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.6	11.2	177	-51	-48.9	0	0	0	116	N302 Y306 Y371 R373	N302-D369 WeakPolarHBondContact ND2-CA 3.38Å; N302-D369 PolarHBondContact ND2-N 3.15Å; N302-D369 PolarHBondContact ND2-OD1 3.18Å; N302-D369 VanDerWaalsContact ND2-OD1 3.09Å; Y306-D369 WeakPolarHBondContact CE2-OD1 3.43Å; Y306-D369 VanDerWaalsContact OH-CG 3.26Å; Y306-D369 PolarHBondContact OH-OD1 3.04Å; Y306-D369 VanDerWaalsContact OH-OD1 3.08Å; Y306-D369 PolarHBondContact OH-OD2 3.4Å; D369-Y371 CarbonylContact C-O 3.57Å; D369-Y371 PolarHBondContact O-N 3.22Å; D369-R373 IonicContact OD1-CZ 3.74Å; D369-R373 IonicContact OD1-NE 3.12Å; D369-R373 PolarHBondContact OD1-NE 2.83Å; D369-R373 VanDerWaalsContact OD1-NE 3.16Å; D369-R373 IonicContact OD1-NH2 3.56Å; D369-R373 IonicContact OD2-NH2 3.9Å
370	T	92.1	Very high	87.1	Confident	39 Å²	39	77.2 Å²	77.2	24%	0.239	37%	0.371	C	S	.	.	S	Bend	trans	-57.5	-35.6	164.2	-51.6	0	0	0	0	111.3	C69 M366 E367 R368	C69-T370 WeakPolarHBondContact CB-O 3.49Å; M366-T370 HydrophobicContact CG-CG2 4.39Å; M366-T370 HydrophobicContact SD-CG2 4.3Å; E367-T370 PolarHBondContact O-N 3.08Å; E367-T370 PolarHBondContact O-OG1 3.26Å; R368-T370 PolarHBondContact O-N 2.89Å; R368-T370 VanDerWaalsContact O-N 3.09Å
371	Y	93.9	Very high	86.1	Confident	2 Å²	2	72.1 Å²	72.1	1%	0.008	36%	0.355	C	S	.	.	S	Bend	trans	-113.3	147.9	171.1	-76.8	-108.1	0	0	0	108.9	C69 D298 V301 N302 T332 K334 E336 M366 D369	C69-Y371 PolarHBondContact O-OH 3.32Å; C69-Y371 WeakPolarHBondContact SG-CD1 3.39Å; C69-Y371 VanDerWaalsContact SG-CE1 3.59Å; C69-Y371 VanDerWaalsContact SG-CG 3.54Å; D298-Y371 HydrophobicContact CB-CD1 4.18Å; D298-Y371 HydrophobicContact CB-CE1 4Å; V301-Y371 HydrophobicContact CB-CD1 4.16Å; V301-Y371 HydrophobicContact CB-CD2 4.14Å; V301-Y371 HydrophobicContact CB-CG 3.87Å; V301-Y371 HydrophobicContact CG1-CD1 4.43Å; V301-Y371 HydrophobicContact CG1-CD2 3.53Å; V301-Y371 HydrophobicContact CG1-CE2 4.02Å; V301-Y371 HydrophobicContact CG1-CG 3.78Å; V301-Y371 HydrophobicContact CG2-CD1 4.3Å; V301-Y371 HydrophobicContact CG2-CE1 4.44Å; V301-Y371 HydrophobicContact CG2-CG 4.45Å; N302-Y371 WeakPolarHBondContact CB-O 3.45Å; N302-Y371 PolarHBondContact ND2-O 2.67Å; T332-Y371 HydrophobicContact CG2-CE2 4.02Å; K334-Y371 PolarHBondContact NZ-OH 3.46Å; K334-Y371 VanDerWaalsContact NZ-OH 3.08Å; E336-Y371 PolarHBondContact OE2-OH 3.16Å; M366-Y371 HydrophobicContact CE-CE2 4.16Å; M366-Y371 HydrophobicContact SD-CD2 3.87Å; M366-Y371 HydrophobicContact SD-CE2 3.99Å; D369-Y371 CarbonylContact C-O 3.57Å; D369-Y371 PolarHBondContact O-N 3.22Å
372	P	91.9	Very high	85.2	Confident	51 Å²	51	72.3 Å²	72.3	33%	0.331	36%	0.36	S	S	.	.			trans	-68.5	153.1	-178.4	29	-35.6	0	0	0	111.9	I67 C69 N302 K374	I67-P372 HydrophobicContact CD1-CG 4.02Å; I67-P372 HydrophobicContact CG2-CG 3.87Å; C69-P372 VanDerWaalsContact SG-CD 3.55Å; N302-P372 WeakPolarHBondContact CB-O 3.38Å; P372-K374 HydrophobicContact CG-CG 4.4Å; P372-K374 PolarHBondContact O-N 3.08Å; P372-K374 VanDerWaalsContact O-N 3.14Å
373	R	88.9	Confident	84.5	Confident	145 Å²	145	70.7 Å²	70.7	55%	0.547	35%	0.354	S	S	.	.			trans	-69	109.6	175.3	-62.1	-179.5	-173.3	-179.7	7	109.6	N302 Y306 D369	N302-R373 WeakPolarHBondContact OD1-CG 3.32Å; Y306-R373 PolarHBondContact OH-NH2 2.93Å; D369-R373 IonicContact OD1-CZ 3.74Å; D369-R373 IonicContact OD1-NE 3.12Å; D369-R373 PolarHBondContact OD1-NE 2.83Å; D369-R373 VanDerWaalsContact OD1-NE 3.16Å; D369-R373 IonicContact OD1-NH2 3.56Å; D369-R373 IonicContact OD2-NH2 3.9Å
374	K	83.1	Confident	83.8	Confident	102 Å²	102	66.2 Å²	66.2	44%	0.443	34%	0.338	S	S	.	.			trans	-118.9	0.4	177.7	-66.6	-67.6	-173	177	0	113.9	I67 P372 L377	I67-K374 HydrophobicContact CD1-CG 4.42Å; P372-K374 HydrophobicContact CG-CG 4.4Å; P372-K374 PolarHBondContact O-N 3.08Å; P372-K374 VanDerWaalsContact O-N 3.14Å; K374-L377 HydrophobicContact CD-CD1 4.05Å
375	W	72.3	Confident	83	Confident	118 Å²	118	70 Å²	70	45%	0.447	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	148.5	171.7	55.6	9.1	0	0	0	111.9	A303 Y306 A308 L377	A303-W375 HydrophobicContact CB-CB 4.48Å; A303-W375 HydrophobicContact CB-CD2 4.1Å; A303-W375 HydrophobicContact CB-CE3 3.34Å; A303-W375 HydrophobicContact CB-CZ3 3.89Å; Y306-W375 VanDerWaalsContact CB-CH2 3.48Å; Y306-W375 HydrophobicContact CD1-CH2 4.34Å; Y306-W375 HydrophobicContact CD2-CH2 4.08Å; Y306-W375 HydrophobicContact CD2-CZ2 4.24Å; Y306-W375 AromaticContact CG-CH2 3.71Å; Y306-W375 HydrophobicContact CG-CH2 3.71Å; Y306-W375 HydrophobicContact CG-CZ2 4.21Å; A308-W375 HydrophobicContact CB-CZ3 4.42Å; W375-L377 VanDerWaalsContact C-N 3.32Å; W375-L377 PolarHBondContact O-N 3.45Å
376	G	64.6	Low	82.3	Confident	28 Å²	28	75.1 Å²	75.1	29%	0.289	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	8.9	-179.4	0	0	0	0	0	115.8	K385	G376-K385 PolarHBondContact O-NZ 3.34Å
377	L	70.9	Confident	81.6	Confident	109 Å²	109	75.8 Å²	75.8	57%	0.571	38%	0.381	S	S	*	.			trans	-111.7	-1.5	174.1	-66.8	167.5	0	0	0	113.1	K374 W375 S382	K374-L377 HydrophobicContact CD-CD1 4.05Å; W375-L377 VanDerWaalsContact C-N 3.32Å; W375-L377 PolarHBondContact O-N 3.45Å; L377-S382 PolarHBondContact O-OG 3.46Å
378	G	69.1	Low	81	Confident	33 Å²	33	75.1 Å²	75.1	34%	0.34	38%	0.379	S	S	.	.	S	Bend	trans	-74.2	162.7	178	0	0	0	0	0	112.7	K380 A381 S382	G378-K380 PolarHBondContact O-N 3.24Å; G378-A381 WeakPolarHBondContact O-CA 3.5Å; G378-A381 PolarHBondContact O-N 2.84Å; G378-S382 PolarHBondContact O-N 3.28Å; G378-S382 PolarHBondContact O-OG 2.96Å
379	P	73.4	Confident	80.5	Confident	105 Å²	105	75.5 Å²	75.5	68%	0.682	39%	0.387	S	S	*	.	H	α-helix	trans	-52.9	-50.3	-172.1	-26.9	33.6	0	0	0	114	A381 S382 Q383	P379-A381 VanDerWaalsContact C-N 3.35Å; P379-A381 PolarHBondContact O-N 2.79Å; P379-S382 PolarHBondContact O-N 3.45Å; P379-Q383 WeakPolarHBondContact O-CB 3.33Å; P379-Q383 VanDerWaalsContact O-CG 3.25Å; P379-Q383 WeakPolarHBondContact O-CG 3.25Å; P379-Q383 PolarHBondContact O-N 3.38Å
380	K	75.3	Confident	80.1	Confident	101 Å²	101	79.2 Å²	79.2	44%	0.439	40%	0.4	S	S	.	.	H	α-helix	trans	-66	-33.4	177.2	-73.5	-78.2	-173.5	176.9	0	112.9	G378 K384 W407	G378-K380 PolarHBondContact O-N 3.24Å; K380-K384 WeakPolarHBondContact O-CB 3.43Å; K380-K384 PolarHBondContact O-N 3.33Å; K380-W407 HydrophobicContact CD-CZ3 4.25Å
381	A	74.6	Confident	79.5	Confident	34 Å²	34	79.3 Å²	79.3	28%	0.281	41%	0.408	S	S	.	.	H	α-helix	trans	-75.4	-37.9	178.9	0	0	0	0	0	112.2	G378 P379 K384 K385	G378-A381 WeakPolarHBondContact O-CA 3.5Å; G378-A381 PolarHBondContact O-N 2.84Å; P379-A381 VanDerWaalsContact C-N 3.35Å; P379-A381 PolarHBondContact O-N 2.79Å; A381-K384 PolarHBondContact O-N 2.95Å; A381-K385 PolarHBondContact O-N 2.93Å
382	S	79.1	Confident	78.9	Confident	41 Å²	41	81.7 Å²	81.7	29%	0.287	42%	0.421	S	S	.	.	H	α-helix	trans	-65.5	-43	172.2	-61	0	0	0	0	110.9	L377 G378 P379 K384 K385 M386	L377-S382 PolarHBondContact O-OG 3.46Å; G378-S382 PolarHBondContact O-N 3.28Å; G378-S382 PolarHBondContact O-OG 2.96Å; P379-S382 PolarHBondContact O-N 3.45Å; S382-K384 PolarHBondContact O-N 3.44Å; S382-K385 PolarHBondContact O-N 2.97Å; S382-M386 WeakPolarHBondContact O-CG 3.06Å; S382-M386 PolarHBondContact O-N 3.37Å
383	Q	79.9	Confident	78.3	Confident	89 Å²	89	79.5 Å²	79.5	42%	0.416	41%	0.407	S	S	.	.	H	α-helix	trans	-58.2	-45.8	171.4	-75.4	171.6	-0.8	0	0	111.9	P379 K385 M386 M387 W407	P379-Q383 WeakPolarHBondContact O-CB 3.33Å; P379-Q383 VanDerWaalsContact O-CG 3.25Å; P379-Q383 WeakPolarHBondContact O-CG 3.25Å; P379-Q383 PolarHBondContact O-N 3.38Å; Q383-K385 PolarHBondContact O-N 2.96Å; Q383-M386 PolarHBondContact O-N 3.47Å; Q383-M387 HydrophobicContact CB-CE 4.09Å; Q383-M387 WeakPolarHBondContact O-CE 3.3Å; Q383-M387 PolarHBondContact O-N 3.13Å; Q383-W407 HydrophobicContact CB-CZ3 4.41Å
384	K	79.1	Confident	77.9	Confident	40 Å²	40	75.1 Å²	75.1	17%	0.174	39%	0.394	C	S	.	.	H	α-helix	trans	-58.3	-45.9	175.5	-173	175.6	-178.6	173.3	0	111.6	K380 A381 S382 M387 I388 L393 G397 W407 Y411	K380-K384 WeakPolarHBondContact O-CB 3.43Å; K380-K384 PolarHBondContact O-N 3.33Å; A381-K384 PolarHBondContact O-N 2.95Å; S382-K384 PolarHBondContact O-N 3.44Å; K384-M387 PolarHBondContact O-N 2.99Å; K384-I388 HydrophobicContact CG-CD1 4.21Å; K384-I388 VanDerWaalsContact O-CG1 3.28Å; K384-I388 WeakPolarHBondContact O-CG1 3.31Å; K384-I388 PolarHBondContact O-N 2.95Å; K384-L393 HydrophobicContact CG-CD1 4.01Å; K384-G397 VanDerWaalsContact CE-O 3.26Å; K384-G397 WeakPolarHBondContact CE-O 3.48Å; K384-W407 HydrophobicContact CB-CH2 3.92Å; K384-W407 HydrophobicContact CB-CZ2 3.95Å; K384-W407 HydrophobicContact CD-CZ2 4.41Å; K384-W407 HydrophobicContact CG-CZ2 4.07Å; K384-Y411 HydrophobicContact CD-CE2 4.4Å; K384-Y411 PolarHBondContact NZ-OH 2.82Å
385	K	81.3	Confident	77.6	Confident	110 Å²	110	79.7 Å²	79.7	48%	0.478	41%	0.414	S	S	.	.	H	α-helix	trans	-62.1	-43.3	176.2	-77.9	177.2	175.8	170.9	0	112.5	G376 A381 S382 Q383 M387 I388 Q389	G376-K385 PolarHBondContact O-NZ 3.34Å; A381-K385 PolarHBondContact O-N 2.93Å; S382-K385 PolarHBondContact O-N 2.97Å; Q383-K385 PolarHBondContact O-N 2.96Å; K385-M387 VanDerWaalsContact C-N 3.33Å; K385-M387 PolarHBondContact O-N 3.32Å; K385-I388 PolarHBondContact O-N 2.55Å; K385-Q389 WeakPolarHBondContact O-CG 3.41Å; K385-Q389 PolarHBondContact O-N 2.9Å
386	M	82.6	Confident	77.7	Confident	110 Å²	110	81.6 Å²	81.6	54%	0.542	43%	0.427	S	S	.	.	H	α-helix	trans	-62.9	-39.3	175.4	-71.8	176.6	179.5	0	0	111.8	S382 Q383 Q389 K390	S382-M386 WeakPolarHBondContact O-CG 3.06Å; S382-M386 PolarHBondContact O-N 3.37Å; Q383-M386 PolarHBondContact O-N 3.47Å; M386-Q389 PolarHBondContact O-N 3.09Å; M386-K390 WeakPolarHBondContact O-CB 3.24Å; M386-K390 VanDerWaalsContact O-CG 3.29Å; M386-K390 WeakPolarHBondContact O-CG 3.36Å; M386-K390 PolarHBondContact O-N 2.9Å
387	M	81	Confident	77.9	Confident	26 Å²	26	80.4 Å²	80.4	13%	0.128	42%	0.415	C	S	.	.	H	α-helix	trans	-68.1	-36.4	176.8	-82.5	-175	-87.5	0	0	113	Q383 K384 K385 K390 G391 L392 L393 W407	Q383-M387 HydrophobicContact CB-CE 4.09Å; Q383-M387 WeakPolarHBondContact O-CE 3.3Å; Q383-M387 PolarHBondContact O-N 3.13Å; K384-M387 PolarHBondContact O-N 2.99Å; K385-M387 VanDerWaalsContact C-N 3.33Å; K385-M387 PolarHBondContact O-N 3.32Å; M387-K390 PolarHBondContact O-N 3.26Å; M387-G391 PolarHBondContact O-N 3.15Å; M387-L392 HydrophobicContact CB-CB 4.27Å; M387-L392 HydrophobicContact CG-CB 4.36Å; M387-L392 HydrophobicContact CG-CD1 4.15Å; M387-L392 PolarHBondContact O-N 3.34Å; M387-L393 HydrophobicContact CB-CD1 3.66Å; M387-L393 HydrophobicContact CB-CG 4.03Å; M387-L393 PolarHBondContact O-N 2.99Å; M387-L393 HydrophobicContact SD-CD1 4.48Å; M387-W407 HydrophobicContact CE-CD2 3.56Å; M387-W407 HydrophobicContact CE-CE3 3.16Å; M387-W407 HydrophobicContact CE-CG 4.38Å; M387-W407 HydrophobicContact CE-CH2 3.62Å; M387-W407 HydrophobicContact CE-CZ2 4Å; M387-W407 HydrophobicContact CE-CZ3 3.19Å; M387-W407 HydrophobicContact SD-CD2 4.12Å; M387-W407 HydrophobicContact SD-CE3 4.18Å; M387-W407 HydrophobicContact SD-CG 4.36Å
388	I	82.1	Confident	78.3	Confident	56 Å²	56	81.7 Å²	81.7	29%	0.287	42%	0.416	S	S	.	.	H	α-helix	trans	-63.8	-44.4	171.6	-65.3	165.5	0	0	0	110.2	K384 K385 K390 G391 L393	K384-I388 HydrophobicContact CG-CD1 4.21Å; K384-I388 VanDerWaalsContact O-CG1 3.28Å; K384-I388 WeakPolarHBondContact O-CG1 3.31Å; K384-I388 PolarHBondContact O-N 2.95Å; K385-I388 PolarHBondContact O-N 2.55Å; I388-K390 VanDerWaalsContact C-N 3.3Å; I388-K390 PolarHBondContact O-N 2.98Å; I388-G391 PolarHBondContact O-N 3.49Å; I388-G391 VanDerWaalsContact O-N 3.12Å; I388-L393 HydrophobicContact CG1-CB 3.85Å; I388-L393 HydrophobicContact CG1-CD1 4.32Å
389	Q	82.2	Confident	78.8	Confident	166 Å²	166	83.8 Å²	83.8	78%	0.776	42%	0.424	S	S	*	.	H	α-helix	trans	-62.9	-35.1	176.2	-74.9	177.1	-15	0	0	112.8	K385 M386 G391	K385-Q389 WeakPolarHBondContact O-CG 3.41Å; K385-Q389 PolarHBondContact O-N 2.9Å; M386-Q389 PolarHBondContact O-N 3.09Å; Q389-G391 VanDerWaalsContact C-N 3.26Å; Q389-G391 PolarHBondContact O-N 3.44Å
390	K	84.1	Confident	79.2	Confident	158 Å²	158	81.2 Å²	81.2	69%	0.687	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	0.4	176	-70.2	179.1	179.9	-172.2	0	113.9	M386 M387 I388 L392	M386-K390 WeakPolarHBondContact O-CB 3.24Å; M386-K390 VanDerWaalsContact O-CG 3.29Å; M386-K390 WeakPolarHBondContact O-CG 3.36Å; M386-K390 PolarHBondContact O-N 2.9Å; M387-K390 PolarHBondContact O-N 3.26Å; I388-K390 VanDerWaalsContact C-N 3.3Å; I388-K390 PolarHBondContact O-N 2.98Å; K390-L392 HydrophobicContact CB-CD1 4.04Å; K390-L392 HydrophobicContact CB-CG 4.14Å; K390-L392 HydrophobicContact CD-CD1 4.38Å; K390-L392 PolarHBondContact O-N 3.48Å
391	G	80	Confident	79	Confident	41 Å²	41	80.4 Å²	80.4	42%	0.423	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	6.8	-178.6	0	0	0	0	0	115.3	M387 I388 Q389 L393 N400	M387-G391 PolarHBondContact O-N 3.15Å; I388-G391 PolarHBondContact O-N 3.49Å; I388-G391 VanDerWaalsContact O-N 3.12Å; Q389-G391 VanDerWaalsContact C-N 3.26Å; Q389-G391 PolarHBondContact O-N 3.44Å; G391-L393 PolarHBondContact O-N 3.45Å; G391-N400 PolarHBondContact O-ND2 3.49Å
392	L	81.3	Confident	78.9	Confident	53 Å²	53	82.5 Å²	82.5	28%	0.277	44%	0.437	S	S	.	.	S	Bend	trans	-77.6	-10.7	179	-62.4	168.3	0	0	0	112.7	M387 K390 N400 S402 T403	M387-L392 HydrophobicContact CB-CB 4.27Å; M387-L392 HydrophobicContact CG-CB 4.36Å; M387-L392 HydrophobicContact CG-CD1 4.15Å; M387-L392 PolarHBondContact O-N 3.34Å; K390-L392 HydrophobicContact CB-CD1 4.04Å; K390-L392 HydrophobicContact CB-CG 4.14Å; K390-L392 HydrophobicContact CD-CD1 4.38Å; K390-L392 PolarHBondContact O-N 3.48Å; L392-N400 PolarHBondContact O-OD1 3.25Å; L392-S402 WeakPolarHBondContact CD2-O 3.28Å; L392-T403 WeakPolarHBondContact O-CA 3.23Å; L392-T403 WeakPolarHBondContact O-CB 3.48Å; L392-T403 PolarHBondContact O-OG1 3.33Å
393	L	80.5	Confident	78.8	Confident	5 Å²	5	80.9 Å²	80.9	3%	0.026	43%	0.426	C	S	.	.	B	Isolated β-bridge	trans	-135.1	155.8	173.4	-70.3	171.4	0	0	0	108.7	K384 M387 I388 G391 K398 T403 W407	K384-L393 HydrophobicContact CG-CD1 4.01Å; M387-L393 HydrophobicContact CB-CD1 3.66Å; M387-L393 HydrophobicContact CB-CG 4.03Å; M387-L393 PolarHBondContact O-N 2.99Å; M387-L393 HydrophobicContact SD-CD1 4.48Å; I388-L393 HydrophobicContact CG1-CB 3.85Å; I388-L393 HydrophobicContact CG1-CD1 4.32Å; G391-L393 PolarHBondContact O-N 3.45Å; L393-K398 WeakPolarHBondContact CD2-O 3.44Å; L393-T403 HydrophobicContact CD2-CG2 3.69Å; L393-W407 HydrophobicContact CD1-CZ2 4.37Å
394	D	80.2	Confident	78.7	Confident	52 Å²	52	79.3 Å²	79.3	28%	0.278	42%	0.423	S	S	.	.			trans	-68.5	174.3	176.3	81.1	-0.6	0	0	0	112.7	H396 G397 K398	D394-H396 PolarHBondContact O-N 3.29Å; D394-H396 VanDerWaalsContact OD1-CA 3.23Å; D394-H396 WeakPolarHBondContact OD1-CA 3.41Å; D394-H396 WeakPolarHBondContact OD1-CB 3.49Å; D394-H396 PolarHBondContact OD1-N 2.98Å; D394-G397 PolarHBondContact O-N 3.12Å; D394-G397 PolarHBondContact OD1-N 3.14Å; D394-K398 PolarHBondContact N-O 2.87Å; D394-K398 PolarHBondContact OD1-N 3.37Å; D394-K398 WeakPolarHBondContact OD2-CB 3.26Å
395	K	76.7	Confident	78.4	Confident	199 Å²	199	84 Å²	84	87%	0.865	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-18.8	177.6	-65.7	-177.1	-179.4	178.7	0	113.7
396	H	73.1	Confident	78.2	Confident	158 Å²	158	84.2 Å²	84.2	73%	0.731	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	2.8	179	-60.8	-70.5	0	0	0	112.7	D394	D394-H396 PolarHBondContact O-N 3.29Å; D394-H396 VanDerWaalsContact OD1-CA 3.23Å; D394-H396 WeakPolarHBondContact OD1-CA 3.41Å; D394-H396 WeakPolarHBondContact OD1-CB 3.49Å; D394-H396 PolarHBondContact OD1-N 2.98Å
397	G	70.3	Confident	77.7	Confident	3 Å²	3	79.8 Å²	79.8	3%	0.031	43%	0.429	C	S	.	.	S	Bend	trans	73	24.2	-179.4	0	0	0	0	0	115.4	K384 D394	K384-G397 VanDerWaalsContact CE-O 3.26Å; K384-G397 WeakPolarHBondContact CE-O 3.48Å; D394-G397 PolarHBondContact O-N 3.12Å; D394-G397 PolarHBondContact OD1-N 3.14Å
398	K	79.1	Confident	77.3	Confident	136 Å²	136	83.1 Å²	83.1	59%	0.591	44%	0.443	S	S	*	.			trans	-87.8	153	170.4	-62.4	-178.3	176.4	179.6	0	111.3	L393 D394 N400	L393-K398 WeakPolarHBondContact CD2-O 3.44Å; D394-K398 PolarHBondContact N-O 2.87Å; D394-K398 PolarHBondContact OD1-N 3.37Å; D394-K398 WeakPolarHBondContact OD2-CB 3.26Å; K398-N400 PolarHBondContact O-N 2.92Å
399	P	79.4	Confident	76.6	Confident	77 Å²	77	86.3 Å²	86.3	50%	0.5	46%	0.461	S	S	.	.	B	Isolated β-bridge	trans	-60.3	135.1	175.2	-20.6	32.5	0	0	0	112.1	T403 K408	P399-T403 VanDerWaalsContact CA-OG1 3.27Å; P399-T403 WeakPolarHBondContact CA-OG1 3.5Å; P399-T403 HydrophobicContact CB-CG2 4.16Å; P399-K408 HydrophobicContact CB-CG 4.29Å; P399-K408 HydrophobicContact CG-CG 4.49Å
400	N	80.9	Confident	76	Confident	50 Å²	50	84.6 Å²	84.6	27%	0.267	45%	0.453	S	S	.	.			trans	-114.3	-174.6	169.9	68.6	10.8	0	0	0	110.1	G391 L392 K398 S402 T403	G391-N400 PolarHBondContact O-ND2 3.49Å; L392-N400 PolarHBondContact O-OD1 3.25Å; K398-N400 PolarHBondContact O-N 2.92Å; N400-S402 PolarHBondContact O-N 3.45Å; N400-S402 WeakPolarHBondContact OD1-CA 3.29Å; N400-S402 WeakPolarHBondContact OD1-CB 3.42Å; N400-S402 PolarHBondContact OD1-N 2.91Å; N400-T403 PolarHBondContact N-OG1 3.12Å; N400-T403 PolarHBondContact O-N 3.36Å; N400-T403 PolarHBondContact O-OG1 2.95Å; N400-T403 PolarHBondContact OD1-N 3.4Å; N400-T403 VanDerWaalsContact OD1-N 3.14Å; N400-T403 PolarHBondContact OD1-OG1 3.26Å; N400-T403 VanDerWaalsContact OD1-OG1 3.11Å
401	G	71.8	Confident	75.5	Confident	85 Å²	85	80.2 Å²	80.2	88%	0.876	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-17.8	177.9	0	0	0	0	0	114.5
402	S	72.4	Confident	75.1	Confident	77 Å²	77	81.9 Å²	81.9	54%	0.538	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	3.8	-178.2	-51.3	0	0	0	0	113.3	L392 N400	L392-S402 WeakPolarHBondContact CD2-O 3.28Å; N400-S402 PolarHBondContact O-N 3.45Å; N400-S402 WeakPolarHBondContact OD1-CA 3.29Å; N400-S402 WeakPolarHBondContact OD1-CB 3.42Å; N400-S402 PolarHBondContact OD1-N 2.91Å
403	T	76.6	Confident	74.5	Confident	8 Å²	8	82.4 Å²	82.4	5%	0.049	44%	0.437	C	S	.	.	S	Bend	trans	-76	127.4	-180	-50.9	0	0	0	0	111	L392 L393 P399 N400 W407 K408	L392-T403 WeakPolarHBondContact O-CA 3.23Å; L392-T403 WeakPolarHBondContact O-CB 3.48Å; L392-T403 PolarHBondContact O-OG1 3.33Å; L393-T403 HydrophobicContact CD2-CG2 3.69Å; P399-T403 VanDerWaalsContact CA-OG1 3.27Å; P399-T403 WeakPolarHBondContact CA-OG1 3.5Å; P399-T403 HydrophobicContact CB-CG2 4.16Å; N400-T403 PolarHBondContact N-OG1 3.12Å; N400-T403 PolarHBondContact O-N 3.36Å; N400-T403 PolarHBondContact O-OG1 2.95Å; N400-T403 PolarHBondContact OD1-N 3.4Å; N400-T403 VanDerWaalsContact OD1-N 3.14Å; N400-T403 PolarHBondContact OD1-OG1 3.26Å; N400-T403 VanDerWaalsContact OD1-OG1 3.11Å; T403-W407 HydrophobicContact CG2-CB 4.13Å; T403-W407 HydrophobicContact CG2-CG 4.2Å; T403-K408 HydrophobicContact CG2-CG 4.32Å
404	P	78.5	Confident	73.9	Confident	55 Å²	55	85.9 Å²	85.9	36%	0.357	45%	0.451	S	S	.	.			trans	-54.8	141.9	175.9	-25.6	34.2	0	0	0	112.7	D406 W407 K408	P404-D406 VanDerWaalsContact C-N 3.29Å; P404-D406 PolarHBondContact O-N 3.05Å; P404-W407 PolarHBondContact O-N 2.75Å; P404-W407 VanDerWaalsContact O-N 3.14Å; P404-K408 PolarHBondContact O-N 3.19Å
405	Q	73.7	Confident	73.1	Confident	140 Å²	140	88.2 Å²	88.2	65%	0.654	47%	0.471	S	S	*	.	H	α-helix	trans	-57.3	-43.2	180	-147.2	109.1	-10.8	0	0	111.3	W407 K408 D409	Q405-W407 PolarHBondContact O-N 2.71Å; Q405-W407 VanDerWaalsContact O-N 3.12Å; Q405-K408 WeakPolarHBondContact O-CA 3.32Å; Q405-K408 WeakPolarHBondContact O-CB 3.19Å; Q405-K408 PolarHBondContact O-N 3.46Å; Q405-D409 PolarHBondContact O-N 2.96Å; Q405-D409 VanDerWaalsContact O-N 3.09Å
406	D	75.2	Confident	72	Confident	114 Å²	114	81.8 Å²	81.8	61%	0.61	46%	0.455	S	S	*	.	H	α-helix	trans	-55	-33.7	177.8	-60.2	-16.1	0	0	0	113.7	P404 Q410	P404-D406 VanDerWaalsContact C-N 3.29Å; P404-D406 PolarHBondContact O-N 3.05Å; D406-Q410 VanDerWaalsContact O-CB 3.31Å; D406-Q410 WeakPolarHBondContact O-CB 3.27Å; D406-Q410 VanDerWaalsContact O-CG 3.3Å; D406-Q410 WeakPolarHBondContact O-CG 3.4Å; D406-Q410 PolarHBondContact O-N 3.43Å; D406-Q410 VanDerWaalsContact O-N 3.15Å
407	W	73.5	Confident	70.4	Confident	17 Å²	17	79 Å²	79	6%	0.064	45%	0.454	C	S	.	.	H	α-helix	trans	-74.1	-37.4	177.1	-177.1	-94.7	0	0	0	111.3	K380 Q383 K384 M387 L393 T403 P404 Q405 D409 Y411	K380-W407 HydrophobicContact CD-CZ3 4.25Å; Q383-W407 HydrophobicContact CB-CZ3 4.41Å; K384-W407 HydrophobicContact CB-CH2 3.92Å; K384-W407 HydrophobicContact CB-CZ2 3.95Å; K384-W407 HydrophobicContact CD-CZ2 4.41Å; K384-W407 HydrophobicContact CG-CZ2 4.07Å; M387-W407 HydrophobicContact CE-CD2 3.56Å; M387-W407 HydrophobicContact CE-CE3 3.16Å; M387-W407 HydrophobicContact CE-CG 4.38Å; M387-W407 HydrophobicContact CE-CH2 3.62Å; M387-W407 HydrophobicContact CE-CZ2 4Å; M387-W407 HydrophobicContact CE-CZ3 3.19Å; M387-W407 HydrophobicContact SD-CD2 4.12Å; M387-W407 HydrophobicContact SD-CE3 4.18Å; M387-W407 HydrophobicContact SD-CG 4.36Å; L393-W407 HydrophobicContact CD1-CZ2 4.37Å; T403-W407 HydrophobicContact CG2-CB 4.13Å; T403-W407 HydrophobicContact CG2-CG 4.2Å; P404-W407 PolarHBondContact O-N 2.75Å; P404-W407 VanDerWaalsContact O-N 3.14Å; Q405-W407 PolarHBondContact O-N 2.71Å; Q405-W407 VanDerWaalsContact O-N 3.12Å; W407-D409 VanDerWaalsContact C-N 3.31Å; W407-D409 PolarHBondContact O-N 2.81Å; W407-Y411 HydrophobicContact CD2-CG 4.4Å; W407-Y411 AromaticContact CE2-CD2 3.85Å; W407-Y411 AromaticContact CE2-CG 3.69Å; W407-Y411 AromaticContact CH2-CD2 3.69Å; W407-Y411 HydrophobicContact CH2-CD2 3.69Å; W407-Y411 HydrophobicContact CH2-CE2 4.18Å; W407-Y411 HydrophobicContact CH2-CG 4.36Å; W407-Y411 HydrophobicContact CZ2-CD1 4.36Å; W407-Y411 AromaticContact CZ2-CD2 3.33Å; W407-Y411 HydrophobicContact CZ2-CD2 3.33Å; W407-Y411 AromaticContact CZ2-CE2 3.75Å; W407-Y411 HydrophobicContact CZ2-CE2 3.75Å; W407-Y411 AromaticContact CZ2-CG 3.68Å; W407-Y411 HydrophobicContact CZ2-CG 3.68Å; W407-Y411 HydrophobicContact CZ3-CD2 4.45Å; W407-Y411 AromaticContact NE1-CD1 3.99Å; W407-Y411 AromaticContact NE1-CG 3.81Å; W407-Y411 WeakPolarHBondContact O-CB 3.39Å; W407-Y411 PolarHBondContact O-N 3.05Å
408	K	71.3	Confident	68.7	Low	96 Å²	96	84.3 Å²	84.3	42%	0.417	49%	0.49	S	S	.	.	H	α-helix	trans	-65.2	-37.5	177.3	-65.1	178.4	-176.6	171.4	0	111.4	P399 T403 P404 Q405	P399-K408 HydrophobicContact CB-CG 4.29Å; P399-K408 HydrophobicContact CG-CG 4.49Å; T403-K408 HydrophobicContact CG2-CG 4.32Å; P404-K408 PolarHBondContact O-N 3.19Å; Q405-K408 WeakPolarHBondContact O-CA 3.32Å; Q405-K408 WeakPolarHBondContact O-CB 3.19Å; Q405-K408 PolarHBondContact O-N 3.46Å
409	D	68.2	Low	66.5	Low	123 Å²	123	84.6 Å²	84.6	66%	0.658	50%	0.503	S	S	*	.	H	α-helix	trans	-81	-32.5	-176.3	-62.2	-25.6	0	0	0	112.8	Q405 W407	Q405-D409 PolarHBondContact O-N 2.96Å; Q405-D409 VanDerWaalsContact O-N 3.09Å; W407-D409 VanDerWaalsContact C-N 3.31Å; W407-D409 PolarHBondContact O-N 2.81Å
410	Q	69.8	Low	64.1	Low	129 Å²	129	85.3 Å²	85.3	60%	0.603	52%	0.515	S	S	*	.	H	α-helix	trans	-100	-21.6	-175.4	-62.5	177.8	15	0	0	114.9	D406 V412	D406-Q410 VanDerWaalsContact O-CB 3.31Å; D406-Q410 WeakPolarHBondContact O-CB 3.27Å; D406-Q410 VanDerWaalsContact O-CG 3.3Å; D406-Q410 WeakPolarHBondContact O-CG 3.4Å; D406-Q410 PolarHBondContact O-N 3.43Å; D406-Q410 VanDerWaalsContact O-N 3.15Å; Q410-V412 PolarHBondContact O-N 3.11Å
411	Y	72.8	Confident	61.7	Low	67 Å²	67	87.3 Å²	87.3	26%	0.263	54%	0.538	S	S	.	.			trans	-88.9	109.6	-177.2	-179.9	-96.1	0	0	0	111	K384 W407 D413	K384-Y411 HydrophobicContact CD-CE2 4.4Å; K384-Y411 PolarHBondContact NZ-OH 2.82Å; W407-Y411 HydrophobicContact CD2-CG 4.4Å; W407-Y411 AromaticContact CE2-CD2 3.85Å; W407-Y411 AromaticContact CE2-CG 3.69Å; W407-Y411 AromaticContact CH2-CD2 3.69Å; W407-Y411 HydrophobicContact CH2-CD2 3.69Å; W407-Y411 HydrophobicContact CH2-CE2 4.18Å; W407-Y411 HydrophobicContact CH2-CG 4.36Å; W407-Y411 HydrophobicContact CZ2-CD1 4.36Å; W407-Y411 AromaticContact CZ2-CD2 3.33Å; W407-Y411 HydrophobicContact CZ2-CD2 3.33Å; W407-Y411 AromaticContact CZ2-CE2 3.75Å; W407-Y411 HydrophobicContact CZ2-CE2 3.75Å; W407-Y411 AromaticContact CZ2-CG 3.68Å; W407-Y411 HydrophobicContact CZ2-CG 3.68Å; W407-Y411 HydrophobicContact CZ3-CD2 4.45Å; W407-Y411 AromaticContact NE1-CD1 3.99Å; W407-Y411 AromaticContact NE1-CG 3.81Å; W407-Y411 WeakPolarHBondContact O-CB 3.39Å; W407-Y411 PolarHBondContact O-N 3.05Å; Y411-D413 HydrophobicContact CE1-CB 3.82Å; Y411-D413 PolarHBondContact OH-OD2 2.64Å
412	V	71.6	Confident	59.6	Low	76 Å²	76	88.5 Å²	88.5	46%	0.461	53%	0.534	S	S	.	.			trans	-98.6	119.7	172.1	-176.5	0	0	0	0	109.9	Q410 Y414	Q410-V412 PolarHBondContact O-N 3.11Å; V412-Y414 HydrophobicContact CB-CD2 4.36Å; V412-Y414 HydrophobicContact CB-CE1 4.44Å; V412-Y414 HydrophobicContact CB-CE2 3.72Å; V412-Y414 HydrophobicContact CG1-CD1 4.09Å; V412-Y414 HydrophobicContact CG1-CD2 4.18Å; V412-Y414 HydrophobicContact CG1-CE1 3.65Å; V412-Y414 HydrophobicContact CG1-CE2 3.76Å; V412-Y414 HydrophobicContact CG1-CG 4.35Å; V412-Y414 VanDerWaalsContact CG1-CZ 3.47Å; V412-Y414 WeakPolarHBondContact O-CD2 3.47Å; V412-Y414 PolarHBondContact O-N 3.24Å
413	D	70.1	Confident	57.3	Low	64 Å²	64	88.9 Å²	88.9	34%	0.342	55%	0.55	S	S	.	.			trans	-86.2	98.4	175.1	-157.4	-36.5	0	0	0	111.6	Y411 S415	Y411-D413 HydrophobicContact CE1-CB 3.82Å; Y411-D413 PolarHBondContact OH-OD2 2.64Å; D413-S415 PolarHBondContact O-N 3.25Å; D413-S415 VanDerWaalsContact OD1-CB 3.24Å; D413-S415 WeakPolarHBondContact OD1-CB 3.5Å; D413-S415 PolarHBondContact OD1-N 3.5Å; D413-S415 PolarHBondContact OD1-OG 2.91Å
414	Y	67.9	Low	54.9	Low	78 Å²	78	96 Å²	96	31%	0.306	59%	0.587	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.6	-0.5	178.1	-62	-79.8	0	0	0	114.2	K309 M311 V412	K309-Y414 PolarHBondContact NZ-O 3.14Å; M311-Y414 HydrophobicContact CE-CD1 4.26Å; M311-Y414 HydrophobicContact CE-CD2 3.55Å; M311-Y414 HydrophobicContact CE-CE2 4.04Å; M311-Y414 HydrophobicContact CE-CG 3.67Å; V412-Y414 HydrophobicContact CB-CD2 4.36Å; V412-Y414 HydrophobicContact CB-CE1 4.44Å; V412-Y414 HydrophobicContact CB-CE2 3.72Å; V412-Y414 HydrophobicContact CG1-CD1 4.09Å; V412-Y414 HydrophobicContact CG1-CD2 4.18Å; V412-Y414 HydrophobicContact CG1-CE1 3.65Å; V412-Y414 HydrophobicContact CG1-CE2 3.76Å; V412-Y414 HydrophobicContact CG1-CG 4.35Å; V412-Y414 VanDerWaalsContact CG1-CZ 3.47Å; V412-Y414 WeakPolarHBondContact O-CD2 3.47Å; V412-Y414 PolarHBondContact O-N 3.24Å
415	S	61.6	Low	52.5	Low	100 Å²	100	97.9 Å²	97.9	70%	0.699	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-27.3	176.6	74.3	0	0	0	0	112.8	D413 S417	D413-S415 PolarHBondContact O-N 3.25Å; D413-S415 VanDerWaalsContact OD1-CB 3.24Å; D413-S415 WeakPolarHBondContact OD1-CB 3.5Å; D413-S415 PolarHBondContact OD1-N 3.5Å; D413-S415 PolarHBondContact OD1-OG 2.91Å; S415-S417 PolarHBondContact O-N 2.98Å
416	A	54.2	Low	50.3	Low	65 Å²	65	96.6 Å²	96.6	54%	0.537	61%	0.614	S	S	.	*	S	Bend	trans	-70	121.8	172.4	0	0	0	0	0	109.6	S418	A416-S418 PolarHBondContact O-N 3.43Å; A416-S418 VanDerWaalsContact O-N 3.13Å
417	S	39.4	Very low	48	Very low	100 Å²	100	96 Å²	96	70%	0.699	63%	0.625	S	S	*	*			trans	-68.4	105.7	167	50.6	0	0	0	0	108.4	S415 V419	S415-S417 PolarHBondContact O-N 2.98Å; S417-V419 PolarHBondContact O-N 3.43Å
418	S	35.7	Very low	45.6	Very low	114 Å²	114	105.2 Å²	105.2	80%	0.797	67%	0.666	S	S	*	*			trans	-68.1	97.6	173.5	54.7	0	0	0	0	109.9	A416	A416-S418 PolarHBondContact O-N 3.43Å; A416-S418 VanDerWaalsContact O-N 3.13Å
419	V	32.9	Very low	43.3	Very low	142 Å²	142	112.8 Å²	112.8	86%	0.861	69%	0.692	S	S	*	*			trans	-90	86.4	155.8	-174.8	0	0	0	0	106	S417	S417-V419 PolarHBondContact O-N 3.43Å
420	A	28.5	Very low	41.1	Very low	92 Å²	92	115.4 Å²	115.4	76%	0.76	70%	0.697	S	S	*	*			trans	-154.7	97.8	165	0	0	0	0	0	107.4
421	A	29.5	Very low	38.9	Very low	91 Å²	91	121.3 Å²	121.3	75%	0.752	71%	0.714	S	S	*	*			trans	-81.4	135.1	170.8	0	0	0	0	0	109.4
422	S	28.3	Very low	36.4	Very low	111 Å²	111	125.4 Å²	125.4	78%	0.776	74%	0.735	S	S	*	*			trans	38.9	98.3	148	58.2	0	0	0	0	118.2
423	G	25	Very low	34.1	Very low	85 Å²	85	127 Å²	127	88%	0.876	75%	0.75	S	S	*	*			trans	-86.1	104.9	153	0	0	0	0	0	108.8
424	D	25.7	Very low	31.8	Very low	156 Å²	156	128.3 Å²	128.3	83%	0.834	77%	0.77	S	S	*	*			trans	-68.6	142.9	175.9	-156.9	0.6	0	0	0	110.7
425	A	28.3	Very low	29.6	Very low	95 Å²	95	133.3 Å²	133.3	79%	0.785	80%	0.796	S	S	*	*			trans	-86.8	111	177.4	0	0	0	0	0	108.8
426	S	26.3	Very low	27.8	Very low	113 Å²	113	134.1 Å²	134.1	79%	0.79	80%	0.801	S	S	*	*			trans	-139.8	126.4	162.4	70.7	0	0	0	0	111.4
427	A	27.3	Very low	26.3	Very low	102 Å²	102	138.6 Å²	138.6	84%	0.843	82%	0.816	S	S	*	*			trans	-63.7	150.4	-171.7	0	0	0	0	0	114.4	R429	A427-R429 PolarHBondContact O-N 3.15Å
428	K	22.6	Very low	25.5	Very low	211 Å²	211	139.5 Å²	139.5	92%	0.917	82%	0.822	S	S	*	*			trans	-45.3	126.8	164.2	-75.6	172	171.8	173.4	0	112.1
429	R	23.4	Very low	24.9	Very low	255 Å²	255	142.6 Å²	142.6	96%	0.962	83%	0.825	S	S	*	*			trans	-138	140.7	139.7	-95.5	-177	-173.4	172.2	2.4	110.4	A427	A427-R429 PolarHBondContact O-N 3.15Å
430	K	22.9	Very low	24.9	Very low	178 Å²	178	141.7 Å²	141.7	77%	0.774	82%	0.822	S	S	*	*			trans	-93.9	138.9	-164.1	-166	-175.8	-171.6	-170.7	0	110
431	R	22.1	Very low	24.7	Very low	252 Å²	252	141.6 Å²	141.6	95%	0.951	82%	0.82	S	S	*	*			trans	-168.9	120.2	138.9	-113.7	173.8	179.3	170	-1.5	113.1
432	E	21.9	Very low	24.5	Very low	154 Å²	154	146.4 Å²	146.4	72%	0.72	83%	0.827	S	S	*	*			trans	-57.8	164.5	154	-62.8	149.9	153.4	0	0	109.7
433	S	22	Very low	24.5	Very low	110 Å²	110	146.8 Å²	146.8	77%	0.769	83%	0.827	S	S	*	*			cis	-179.5	165.1	-1.3	38.3	0	0	0	0	106.8
434	A	22.3	Very low	24.7	Very low	91 Å²	91	148.3 Å²	148.3	75%	0.752	83%	0.825	S	S	*	*			trans	78.9	142.1	166.3	0	0	0	0	0	116.5
435	E	22.1	Very low	25	Very low	182 Å²	182	147.1 Å²	147.1	85%	0.85	82%	0.823	S	S	*	*			cis	-168	165.3	12.8	-137.2	171.1	-162.4	0	0	110.7
436	S	22.9	Very low	25.3	Very low	117 Å²	117	147.4 Å²	147.4	82%	0.818	82%	0.817	S	S	*	*			trans	94.8	121.4	150	75.3	0	0	0	0	122.3
437	D	22.5	Very low	26.1	Very low	159 Å²	159	145.4 Å²	145.4	85%	0.85	80%	0.803	S	S	*	*			trans	-61.9	145.6	166.9	-99	-39.1	0	0	0	114.1
438	S	23.5	Very low	26.6	Very low	119 Å²	119	144.5 Å²	144.5	83%	0.832	80%	0.796	S	S	*	*				174.3	120.7	125.5	37.5	0	0	0	0	112
439	E	23.7	Very low	27.4	Very low	180 Å²	180	141.9 Å²	141.9	84%	0.841	79%	0.787	S	S	*	*			trans	-70.6	166.2	160.5	-101.9	-170.3	169.4	0	0	110.8
440	P	31.7	Very low	28.1	Very low	123 Å²	123	134 Å²	134	80%	0.799	76%	0.764	S	S	*	*			cis	-145.3	168.8	38.4	35.7	-12.2	0	0	0	119.6
441	A	24.2	Very low	29.1	Very low	89 Å²	89	129.5 Å²	129.5	74%	0.736	75%	0.751	S	S	*	*			trans	-28.6	141.9	172.3	0	0	0	0	0	121.2
442	Q	25.8	Very low	30	Very low	192 Å²	192	125.3 Å²	125.3	90%	0.897	74%	0.74	S	S	*	*			trans	-153.2	157.3	134.1	-96.9	-156.6	-1.4	0	0	111.3
443	P	28.2	Very low	30.8	Very low	119 Å²	119	125.7 Å²	125.7	77%	0.773	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-88.4	144.7	-140.6	32.6	-34.9	0	0	0	115.8
444	S	29.5	Very low	31.5	Very low	118 Å²	118	127.4 Å²	127.4	83%	0.825	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-75.8	131.1	171.8	54.8	0	0	0	0	112.3
445	T	32.4	Very low	32.3	Very low	130 Å²	130	130.7 Å²	130.7	80%	0.798	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-60.6	142.7	166.7	40.3	0	0	0	0	111.8
446	P	34	Very low	33.2	Very low	102 Å²	102	130.1 Å²	130.1	66%	0.662	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-74.6	139.4	177.9	28.3	-30.8	0	0	0	111.2
447	S	43.1	Very low	33.8	Very low	70 Å²	70	131.8 Å²	131.8	49%	0.49	72%	0.719	S	S	.	*	P	Polyproline II helix	trans	-69	156.7	178.6	75.9	0	0	0	0	112.6	E449 D450	S447-E449 PolarHBondContact O-N 3.31Å; S447-D450 PolarHBondContact O-N 3.37Å
448	A	37.3	Very low	34.6	Very low	84 Å²	84	131.7 Å²	131.7	69%	0.694	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	0.1	-174	0	0	0	0	0	115.9
449	E	40	Very low	35.4	Very low	155 Å²	155	134.1 Å²	134.1	72%	0.724	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	-27.4	175.3	-67.8	-161	140.9	0	0	113.3	S447 K452 K453	S447-E449 PolarHBondContact O-N 3.31Å; E449-K452 PolarHBondContact O-N 2.92Å; E449-K453 PolarHBondContact O-N 3.18Å
450	D	37.9	Very low	36.4	Very low	90 Å²	90	133.6 Å²	133.6	48%	0.481	70%	0.702	S	S	.	*	H	α-helix	trans	-77.3	-32.7	-177.9	-70	-45.3	0	0	0	112.7	S447 K452 K453 E454	S447-D450 PolarHBondContact O-N 3.37Å; D450-K452 VanDerWaalsContact C-N 3.25Å; D450-K452 PolarHBondContact O-N 3.29Å; D450-K453 PolarHBondContact O-N 3.34Å; D450-E454 PolarHBondContact O-N 3.37Å
451	V	43.8	Very low	36.9	Very low	84 Å²	84	133.6 Å²	133.6	51%	0.509	69%	0.691	S	S	.	*	H	α-helix	trans	-67.3	-25.6	174.1	-177.9	0	0	0	0	112.1	K455	V451-K455 PolarHBondContact O-N 3.13Å
452	K	41.9	Very low	37.7	Very low	164 Å²	164	137 Å²	137	71%	0.713	69%	0.689	S	S	*	*	H	α-helix	trans	-79.7	-30.4	177.3	-95.3	177	177.9	169.9	0	112.8	E449 D450 K456	E449-K452 PolarHBondContact O-N 2.92Å; D450-K452 VanDerWaalsContact C-N 3.25Å; D450-K452 PolarHBondContact O-N 3.29Å; K452-K456 PolarHBondContact O-N 2.94Å
453	K	37.5	Very low	38.5	Very low	162 Å²	162	134.1 Å²	134.1	70%	0.704	67%	0.674	S	S	*	*	H	α-helix	trans	-72.4	-40.2	176.5	-98	177	176.7	170.8	0	112	E449 D450 K456 K457	E449-K453 PolarHBondContact O-N 3.18Å; D450-K453 PolarHBondContact O-N 3.34Å; K453-K456 PolarHBondContact O-N 3.17Å; K453-K457 PolarHBondContact O-N 3.35Å
454	E	36.8	Very low	39.5	Very low	145 Å²	145	131 Å²	131	68%	0.678	66%	0.658	S	S	*	*	H	α-helix	trans	-67.2	-41.2	177.5	-81.4	-158.3	133.4	0	0	113.6	D450 K456 K457 K458	D450-E454 PolarHBondContact O-N 3.37Å; E454-K456 VanDerWaalsContact C-N 3.27Å; E454-K456 PolarHBondContact O-N 3.49Å; E454-K457 PolarHBondContact O-N 3.29Å; E454-K458 PolarHBondContact O-N 3.4Å; E454-K458 VanDerWaalsContact O-N 3.13Å
455	K	39.3	Very low	40.1	Very low	161 Å²	161	133.2 Å²	133.2	70%	0.7	65%	0.653	S	S	*	*	H	α-helix	trans	-65.4	-29.5	176.7	-93.7	179.8	175.5	172.5	0	113.1	V451 K459	V451-K455 PolarHBondContact O-N 3.13Å; K455-K459 WeakPolarHBondContact O-CB 3.41Å; K455-K459 PolarHBondContact O-N 3.45Å
456	K	40.2	Very low	40.6	Very low	169 Å²	169	132.8 Å²	132.8	74%	0.735	65%	0.645	S	S	*	*	H	α-helix	trans	-78.7	-29.8	178.5	-145.6	175.4	-174.7	-178.9	0	112	K452 K453 E454 K460	K452-K456 PolarHBondContact O-N 2.94Å; K453-K456 PolarHBondContact O-N 3.17Å; E454-K456 VanDerWaalsContact C-N 3.27Å; E454-K456 PolarHBondContact O-N 3.49Å; K456-K460 PolarHBondContact O-N 3.4Å
457	K	36.6	Very low	41	Very low	152 Å²	152	133.4 Å²	133.4	66%	0.661	64%	0.639	S	S	*	*	H	α-helix	trans	-73.1	-46.5	176.2	-151	176.2	-179.8	-173.6	0	111.6	K453 E454 K459 K460 E461	K453-K457 PolarHBondContact O-N 3.35Å; E454-K457 PolarHBondContact O-N 3.29Å; K457-K459 VanDerWaalsContact C-N 3.32Å; K457-K459 PolarHBondContact O-N 3.31Å; K457-K460 PolarHBondContact O-N 3.21Å; K457-K460 VanDerWaalsContact O-N 3.15Å; K457-E461 PolarHBondContact O-N 3.2Å
458	K	39.7	Very low	40.8	Very low	157 Å²	157	137 Å²	137	68%	0.683	65%	0.648	S	S	*	*	H	α-helix	trans	-62.8	-31.4	175.2	-89.1	179.2	174.3	170.1	0	114.2	E454 K462	E454-K458 PolarHBondContact O-N 3.4Å; E454-K458 VanDerWaalsContact O-N 3.13Å; K458-K462 PolarHBondContact O-N 3.37Å
459	K	39.4	Very low	40.9	Very low	170 Å²	170	136.8 Å²	136.8	74%	0.739	65%	0.646	S	S	*	*	H	α-helix	trans	-77.9	-21.6	178.2	-158	173.4	-176.6	178.3	0	113	K455 K457	K455-K459 WeakPolarHBondContact O-CB 3.41Å; K455-K459 PolarHBondContact O-N 3.45Å; K457-K459 VanDerWaalsContact C-N 3.32Å; K457-K459 PolarHBondContact O-N 3.31Å
460	K	44.2	Very low	40.9	Very low	170 Å²	170	137.6 Å²	137.6	74%	0.739	65%	0.65	S	S	*	*	H	α-helix	trans	-83.3	-38.7	178.1	-149.7	179.3	-178.8	-168.9	0	111.4	K456 K457 K463 A464	K456-K460 PolarHBondContact O-N 3.4Å; K457-K460 PolarHBondContact O-N 3.21Å; K457-K460 VanDerWaalsContact O-N 3.15Å; K460-K463 PolarHBondContact O-N 3.35Å; K460-A464 PolarHBondContact O-N 3.22Å
461	E	42.1	Very low	40.8	Very low	123 Å²	123	139 Å²	139	58%	0.575	66%	0.662	S	S	*	*	H	α-helix	trans	-66.8	-35.3	173.9	-77.4	172.9	169	0	0	113	K457 K463 K465	K457-E461 PolarHBondContact O-N 3.2Å; E461-K463 VanDerWaalsContact C-N 3.27Å; E461-K463 PolarHBondContact O-N 3.3Å; E461-K465 PolarHBondContact O-N 3.29Å
462	K	41.7	Very low	40.3	Very low	159 Å²	159	143.3 Å²	143.3	69%	0.691	68%	0.677	S	S	*	*	H	α-helix	trans	-72.8	-19.9	177.8	-145.1	177.1	-173.7	-177.3	0	113.4	K458	K458-K462 PolarHBondContact O-N 3.37Å
463	K	43	Very low	40	Very low	132 Å²	132	144.3 Å²	144.3	57%	0.574	68%	0.681	S	S	*	*	H	α-helix	trans	-87.8	-36.3	177.9	-152.9	-174.7	179.4	-142.8	0	111.8	K460 E461 L466 E467	K460-K463 PolarHBondContact O-N 3.35Å; E461-K463 VanDerWaalsContact C-N 3.27Å; E461-K463 PolarHBondContact O-N 3.3Å; K463-L466 PolarHBondContact O-N 3.4Å; K463-E467 IonicContact NZ-OE1 2.68Å; K463-E467 PolarHBondContact O-N 3.23Å
464	A	48.7	Very low	39.5	Very low	53 Å²	53	143.3 Å²	143.3	44%	0.438	69%	0.689	S	S	.	*	H	α-helix	trans	-64	-39.6	173.7	0	0	0	0	0	112.5	K460 L466 E467 E468	K460-A464 PolarHBondContact O-N 3.22Å; A464-L466 VanDerWaalsContact C-N 3.26Å; A464-L466 PolarHBondContact O-N 3.28Å; A464-E467 PolarHBondContact O-N 3.2Å; A464-E468 PolarHBondContact O-N 3.33Å
465	K	43.3	Very low	39.1	Very low	165 Å²	165	145.6 Å²	145.6	72%	0.717	70%	0.699	S	S	*	*	H	α-helix	trans	-70.1	-14.4	176.1	-80.5	-173.1	172.1	-174	0	115.4	E461	E461-K465 PolarHBondContact O-N 3.29Å
466	L	42.2	Very low	38.5	Very low	121 Å²	121	147.4 Å²	147.4	63%	0.634	71%	0.71	S	S	*	*	H	α-helix	trans	-94.3	-28.7	176.4	-94.6	156	0	0	0	111.6	K463 A464	K463-L466 PolarHBondContact O-N 3.4Å; A464-L466 VanDerWaalsContact C-N 3.26Å; A464-L466 PolarHBondContact O-N 3.28Å
467	E	42.4	Very low	38	Very low	115 Å²	115	147.8 Å²	147.8	54%	0.537	72%	0.715	S	S	.	*	H	α-helix	trans	-79.5	-26.9	176	-75.4	170.4	-176.5	0	0	112.3	K463 A464 T471	K463-E467 IonicContact NZ-OE1 2.68Å; K463-E467 PolarHBondContact O-N 3.23Å; A464-E467 PolarHBondContact O-N 3.2Å; E467-T471 PolarHBondContact O-OG1 3.36Å
468	E	38.6	Very low	38	Very low	146 Å²	146	146.4 Å²	146.4	68%	0.682	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-18.9	172.7	-87.6	176.4	161.9	0	0	114.3	A464	A464-E468 PolarHBondContact O-N 3.33Å
469	A	40.1	Very low	37.5	Very low	79 Å²	79	145.5 Å²	145.5	65%	0.653	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	-12.2	-178.3	0	0	0	0	0	114.1
470	E	38.8	Very low	36.7	Very low	173 Å²	173	143.3 Å²	143.3	81%	0.808	73%	0.725	S	S	*	*	S	Bend	trans	-99.8	-8.4	179.3	-80.3	-174.6	156.3	0	0	113.6
471	T	35.5	Very low	36.8	Very low	118 Å²	118	140.5 Å²	140.5	72%	0.724	72%	0.724	S	S	*	*	S	Bend	trans	-97.5	1.4	-179.3	36.5	0	0	0	0	115.4	E467	E467-T471 PolarHBondContact O-OG1 3.36Å
472	E	35.1	Very low	36.1	Very low	176 Å²	176	140.9 Å²	140.9	82%	0.822	73%	0.734	S	S	*	*	S	Bend	trans	-106.4	13.3	-176.3	-116.2	-175.4	-170.4	0	0	115.3
473	K	34.5	Very low	35.4	Very low	184 Å²	184	137.4 Å²	137.4	80%	0.8	74%	0.735	S	S	*	*	S	Bend	trans	-141.7	82.9	173.6	-73.4	-173.2	179.1	179.4	0	112.1
474	T	28.2	Very low	34.5	Very low	142 Å²	142	140.3 Å²	140.3	87%	0.871	75%	0.751	S	S	*	*			trans	161.2	101.7	135	31.2	0	0	0	0	111.2
475	E	27	Very low	33.3	Very low	193 Å²	193	147 Å²	147	90%	0.902	77%	0.77	S	S	*	*			trans	179.2	104.9	151.7	-99.4	172.4	-159.5	0	0	103.4
476	E	27.3	Very low	33.1	Very low	198 Å²	198	144 Å²	144	93%	0.925	77%	0.767	S	S	*	*				-162.1	138.9	93.5	-82.2	175.4	156.6	0	0	111
477	E	29.7	Very low	32.2	Very low	178 Å²	178	147.6 Å²	147.6	83%	0.832	78%	0.778	S	S	*	*			trans	-81.5	171.9	166.3	-58.4	-167.4	139.8	0	0	111.9
478	P	37.4	Very low	31.4	Very low	123 Å²	123	152.1 Å²	152.1	80%	0.799	80%	0.796	S	S	*	*				-153	152.8	85.9	34.8	-12.8	0	0	0	118.9
479	D	27.6	Very low	30.8	Very low	137 Å²	137	154.9 Å²	154.9	73%	0.733	81%	0.805	S	S	*	*			trans	39.4	117.9	144.9	-87.6	-27.8	0	0	0	127.2
480	T	23.8	Very low	30.1	Very low	124 Å²	124	161.5 Å²	161.5	76%	0.761	82%	0.82	S	S	*	*			trans	65.2	166.9	137.8	68.9	0	0	0	0	123
481	P	46.3	Very low	29.6	Very low	111 Å²	111	163.1 Å²	163.1	72%	0.721	82%	0.824	S	S	*	*				-129.2	-174	-59.6	34.4	-15	0	0	0	114
482	V	27.4	Very low	29.3	Very low	131 Å²	131	166.6 Å²	166.6	79%	0.794	83%	0.829	S	S	*	*			trans	106.6	125.4	156.7	-173	0	0	0	0	119.9
483	A	26.1	Very low	29	Very low	86 Å²	86	166.6 Å²	166.6	71%	0.711	83%	0.829	S	S	*	*			trans	54.7	145.1	152.6	0	0	0	0	0	119.3
484	E	25.6	Very low	28.6	Very low	194 Å²	194	168.1 Å²	168.1	91%	0.907	84%	0.836	S	S	*	*			cis	-165.3	163.2	32	-142.8	171.2	-163.1	0	0	110.5
485	K	22.9	Very low	28.9	Very low	194 Å²	194	169.5 Å²	169.5	84%	0.843	83%	0.832	S	S	*	*			trans	-75	-170.8	-175.1	-97	175.6	-173.2	171.3	0	113.7
486	P	38.9	Very low	29	Very low	100 Å²	100	165.1 Å²	165.1	65%	0.649	82%	0.823	S	S	*	*			cis	-146.6	-174.2	-19.2	30.1	-5	0	0	0	117.5
487	K	23.3	Very low	29.4	Very low	198 Å²	198	163.5 Å²	163.5	86%	0.861	82%	0.815	S	S	*	*			trans	89.9	124.9	153.2	-56.2	-178.5	-176.3	169.1	0	116.6
488	K	26	Very low	29.7	Very low	209 Å²	209	162.3 Å²	162.3	91%	0.909	81%	0.814	S	S	*	*				-152.6	145.2	58.1	-95.6	174.7	174.8	170.1	0	114.4
489	K	25.8	Very low	29.8	Very low	204 Å²	204	160.8 Å²	160.8	89%	0.887	81%	0.812	S	S	*	*			trans	-68	149.1	168.8	-71.2	170.3	169.2	175.5	0	113.1
490	K	25.9	Very low	30.6	Very low	219 Å²	219	167.1 Å²	167.1	95%	0.952	84%	0.837	S	S	*	*				-166.4	146.1	108.9	-110.4	179.8	178.7	-178.9	0	112.3
491	K	28.3	Very low	30.9	Very low	207 Å²	207	169.3 Å²	169.3	90%	0.9	84%	0.841	S	S	*	*			trans	-112.1	152.9	-158.7	-164.6	-176.8	-175.1	-172.9	0	110.2
492	K	28.2	Very low	30.1	Very low	190 Å²	190	172.3 Å²	172.3	83%	0.826	85%	0.847	S	S	*	*			trans	-41.4	148.5	167.8	-77.7	173.7	163	179.2	0	115.2
493	Q	29.7	Very low	30.2	Very low	176 Å²	176	174.6 Å²	174.6	82%	0.822	85%	0.85	S	S	*	*				169.6	136.5	109.1	-98.7	176.5	-26.5	0	0	111.9
494	K	26	Very low	30.5	Very low	217 Å²	217	179.8 Å²	179.8	94%	0.943	86%	0.858	S	S	*	*			trans	-159	129.7	130.9	-112.6	-177.9	179.9	-173.1	0	109.8
495	E	32.8	Very low	30.8	Very low	170 Å²	170	178.9 Å²	178.9	79%	0.794	86%	0.855	S	S	*	*			trans	-113.6	178.3	178.6	-134.3	173.3	-175.6	0	0	108.2
496	S	30.7	Very low	31.3	Very low	102 Å²	102	177.9 Å²	177.9	71%	0.713	86%	0.856	S	S	*	*			trans	91.1	135.9	168	78.2	0	0	0	0	116.6
497	E	34.2	Very low	30.8	Very low	163 Å²	163	183.5 Å²	183.5	76%	0.762	87%	0.871	S	S	*	*			cis	-175.5	149.6	-2.7	-119.1	178.5	158.8	0	0	110.8
498	L	36.8	Very low	31.4	Very low	153 Å²	153	182.4 Å²	182.4	80%	0.801	87%	0.871	S	S	*	*			trans	62.8	149.6	133.8	-90.7	155.6	0	0	0	127.5
499	A	39.4	Very low	31.8	Very low	92 Å²	92	180.2 Å²	180.2	76%	0.76	87%	0.868	S	S	*	*			trans	87.3	125.9	160.8	0	0	0	0	0	116.6
500	E	43.8	Very low	32.4	Very low	269 Å²	269	178 Å²	178	100%	1.257	87%	0.867	S	S	*	*			cis	-155.4	0	12.2	-164.4	172.3	-160	0	0	109.3

Retrieved 500 of 500 residues in 186.1 ms (Link to these results)

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