A0A5K4F079_SCHMA Loading...

Proteasome subunit beta

Component of the proteasome, a multicatalytic proteinase complex which is characterized by its ability to cleave peptides with Arg, Phe, Tyr, Leu, and Glu adjacent to the leaving group at neutral or slightly basic pH. The proteasome has an ATP-dependent proteolytic activity.

AlphaFold DB , UniProt , Accession A0A5K4F079, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 264 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35	Very low	33.7	Very low	245 Å²	245	147.8 Å²	147.8	100%	1.207	81%	0.813	S	S	*	*				0	90.9	0	-95.2	178.5	-172	0	0	107.4
2	A	35.1	Very low	34.1	Very low	90 Å²	90	145.1 Å²	145.1	74%	0.744	80%	0.803	S	S	*	*			trans	-69.7	131.1	173.2	0	0	0	0	0	107.8	L4	A2-L4 VanDerWaalsContact C-N 3.31Å; A2-L4 PolarHBondContact O-N 3Å
3	L	29.9	Very low	34	Very low	170 Å²	170	145.7 Å²	145.7	89%	0.89	80%	0.804	S	S	*	*			trans	-55.9	94.4	172.9	-82.8	134.6	0	0	0	108.7	D5	L3-D5 PolarHBondContact O-N 3.09Å
4	L	33.2	Very low	33.8	Very low	162 Å²	162	139.6 Å²	139.6	85%	0.848	79%	0.792	S	S	*	*			trans	-69	99.5	170.4	-86.9	149	0	0	0	107.4	A2 I6	A2-L4 VanDerWaalsContact C-N 3.31Å; A2-L4 PolarHBondContact O-N 3Å; L4-I6 PolarHBondContact O-N 3.13Å; L4-I6 VanDerWaalsContact O-N 3.16Å
5	D	34.9	Very low	34.1	Very low	117 Å²	117	138.7 Å²	138.7	63%	0.626	78%	0.783	S	S	*	*			trans	16.8	84.6	147.2	-144	-15.3	0	0	0	115.3	L3 T7	L3-D5 PolarHBondContact O-N 3.09Å; D5-T7 PolarHBondContact O-N 2.82Å; D5-T7 PolarHBondContact OD1-OG1 3.29Å
6	I	36.2	Very low	34.1	Very low	160 Å²	160	142.4 Å²	142.4	82%	0.821	79%	0.792	S	S	*	*	S	Bend	trans	-70.7	-11.3	177.5	-60.5	169.6	0	0	0	111	L4 G8	L4-I6 PolarHBondContact O-N 3.13Å; L4-I6 VanDerWaalsContact O-N 3.16Å; I6-G8 PolarHBondContact O-N 3.36Å
7	T	39.6	Very low	34.6	Very low	94 Å²	94	144.9 Å²	144.9	58%	0.577	79%	0.793	S	S	*	*	S	Bend	trans	-95	98	173.4	51.9	0	0	0	0	107.9	D5 F9	D5-T7 PolarHBondContact O-N 2.82Å; D5-T7 PolarHBondContact OD1-OG1 3.29Å; T7-F9 PolarHBondContact O-N 3.22Å
8	G	28.7	Very low	34.5	Very low	87 Å²	87	139.8 Å²	139.8	90%	0.897	78%	0.779	S	S	*	*			trans	-63.3	45.4	172.2	0	0	0	0	0	113.9	I6 E10	I6-G8 PolarHBondContact O-N 3.36Å; G8-E10 PolarHBondContact O-N 3.02Å
9	F	33.6	Very low	34.7	Very low	169 Å²	169	140.1 Å²	140.1	74%	0.741	79%	0.787	S	S	*	*			trans	-93.9	88.4	178.8	-136.1	-89.4	0	0	0	106.7	T7 M11	T7-F9 PolarHBondContact O-N 3.22Å; F9-M11 PolarHBondContact O-N 2.78Å
10	E	30.6	Very low	35.2	Very low	176 Å²	176	136.8 Å²	136.8	82%	0.822	79%	0.786	S	S	*	*			trans	-52.9	115.8	163.1	-84.1	-177.6	148.5	0	0	108	G8 V12	G8-E10 PolarHBondContact O-N 3.02Å; E10-V12 PolarHBondContact O-N 2.77Å
11	M	34.2	Very low	35.4	Very low	156 Å²	156	134.2 Å²	134.2	77%	0.768	78%	0.781	S	S	*	*			trans	-55.3	103.3	169	-79.8	-86.6	-70.6	0	0	107.7	F9 N13	F9-M11 PolarHBondContact O-N 2.78Å; M11-N13 VanDerWaalsContact C-N 3.26Å; M11-N13 PolarHBondContact O-N 3.32Å
12	V	38.9	Very low	35.5	Very low	115 Å²	115	133.5 Å²	133.5	70%	0.697	77%	0.765	S	S	*	*			trans	-65.7	89.4	176.7	-175.9	0	0	0	0	107.9	E10 G14	E10-V12 PolarHBondContact O-N 2.77Å; V12-G14 PolarHBondContact O-N 2.69Å
13	N	32.1	Very low	35.8	Very low	153 Å²	153	134.9 Å²	134.9	82%	0.818	77%	0.769	S	S	*	*			trans	-74.5	21.3	-178.6	-93.5	-13.4	0	0	0	114	M11	M11-N13 VanDerWaalsContact C-N 3.26Å; M11-N13 PolarHBondContact O-N 3.32Å
14	G	30.7	Very low	36.2	Very low	61 Å²	61	131.8 Å²	131.8	63%	0.629	76%	0.757	S	S	*	*			trans	-117.2	60.1	-177	0	0	0	0	0	113	V12	V12-G14 PolarHBondContact O-N 2.69Å
15	L	39.1	Very low	36.3	Very low	126 Å²	126	129.7 Å²	129.7	66%	0.66	76%	0.755	S	S	*	*			trans	-112	71.9	170.9	-79.4	164.8	0	0	0	109.4	K17	L15-K17 PolarHBondContact O-N 3Å; L15-K17 VanDerWaalsContact O-N 3.13Å
16	E	34.4	Very low	36.5	Very low	198 Å²	198	128 Å²	128	93%	0.925	75%	0.749	S	S	*	*			trans	-66.2	109.3	162.9	-78.5	-171.6	157.2	0	0	108.6	G18	E16-G18 PolarHBondContact O-N 2.91Å
17	K	41.5	Very low	36.9	Very low	185 Å²	185	128.5 Å²	128.5	80%	0.804	75%	0.747	S	S	*	*			trans	-69.2	115.5	168.3	-75.7	-174.9	176.8	-179.8	0	107.7	L15	L15-K17 PolarHBondContact O-N 3Å; L15-K17 VanDerWaalsContact O-N 3.13Å
18	G	33.7	Very low	36.9	Very low	53 Å²	53	130.5 Å²	130.5	55%	0.546	75%	0.754	S	S	.	*			trans	-51.7	139.7	169.9	0	0	0	0	0	110.9	E16 G20	E16-G18 PolarHBondContact O-N 2.91Å; G18-G20 PolarHBondContact O-N 2.89Å; G18-G20 VanDerWaalsContact O-N 3.09Å
19	P	38	Very low	37.9	Very low	144 Å²	144	129.3 Å²	129.3	94%	0.935	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	111.7	-177.5	25.9	-31.3	0	0	0	109.3
20	G	44.2	Very low	38.8	Very low	74 Å²	74	123.1 Å²	123.1	76%	0.763	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	137.4	-8.6	175.1	0	0	0	0	0	116.4	G18 R22	G18-G20 PolarHBondContact O-N 2.89Å; G18-G20 VanDerWaalsContact O-N 3.09Å; G20-R22 PolarHBondContact O-N 2.86Å
21	A	40.2	Very low	39.7	Very low	83 Å²	83	118.4 Å²	118.4	69%	0.686	69%	0.686	S	S	*	*			trans	-73.3	97.1	178.3	0	0	0	0	0	111.6	S23	A21-S23 PolarHBondContact O-N 2.71Å
22	R	36.9	Very low	40.5	Very low	231 Å²	231	114.7 Å²	114.7	87%	0.872	67%	0.669	S	S	*	*			trans	-56.8	127.8	166.5	-86.6	-178.2	173.5	175	-1.2	109.4	G20 V24	G20-R22 PolarHBondContact O-N 2.86Å; R22-V24 PolarHBondContact O-N 3.11Å
23	S	40.3	Very low	41.1	Very low	118 Å²	118	114.4 Å²	114.4	83%	0.825	66%	0.663	S	S	*	*			trans	-68.4	72	171.2	172.1	0	0	0	0	110	A21 C25	A21-S23 PolarHBondContact O-N 2.71Å; S23-C25 PolarHBondContact O-N 3.1Å
24	V	38.8	Very low	41.8	Very low	106 Å²	106	114.5 Å²	114.5	64%	0.642	65%	0.653	S	S	*	*			trans	-72	111.6	160.5	-170.4	0	0	0	0	104.9	R22 T26	R22-V24 PolarHBondContact O-N 3.11Å; V24-T26 HydrophobicContact CB-CG2 4.28Å; V24-T26 HydrophobicContact CG1-CG2 3.71Å; V24-T26 PolarHBondContact O-N 2.68Å
25	C	36.7	Very low	42.7	Very low	118 Å²	118	119.8 Å²	119.8	80%	0.797	65%	0.654	S	S	*	*			trans	-69.6	70.4	168.1	-156.5	0	0	0	0	106.9	S23 H27	S23-C25 PolarHBondContact O-N 3.1Å; C25-H27 PolarHBondContact O-N 3.3Å
26	T	38.9	Very low	43.3	Very low	82 Å²	82	114.6 Å²	114.6	50%	0.503	63%	0.628	S	S	.	*			trans	-67	122.2	160.9	54.7	0	0	0	0	103.7	V24 L28	V24-T26 HydrophobicContact CB-CG2 4.28Å; V24-T26 HydrophobicContact CG1-CG2 3.71Å; V24-T26 PolarHBondContact O-N 2.68Å; T26-L28 VanDerWaalsContact C-N 3.32Å; T26-L28 PolarHBondContact O-N 3.32Å
27	H	42.9	Very low	44.1	Very low	170 Å²	170	112 Å²	112	79%	0.787	62%	0.616	S	S	*	*			trans	-47.5	113.9	156.9	-69	-68.9	0	0	0	104.5	C25 T29	C25-H27 PolarHBondContact O-N 3.3Å; H27-T29 PolarHBondContact O-N 2.84Å
28	L	41	Very low	44.6	Very low	136 Å²	136	109.9 Å²	109.9	71%	0.712	61%	0.607	S	S	*	*			trans	-51.8	103	173.6	-70.6	166.6	0	0	0	104.2	T26 D32	T26-L28 VanDerWaalsContact C-N 3.32Å; T26-L28 PolarHBondContact O-N 3.32Å; L28-D32 HydrophobicContact CD2-CB 4.3Å
29	T	50.3	Low	45.8	Very low	61 Å²	61	109.1 Å²	109.1	37%	0.374	60%	0.595	S	S	.	*			trans	-64.1	153.9	178.2	61.1	0	0	0	0	105.8	H27 V31 D32 L33	H27-T29 PolarHBondContact O-N 2.84Å; T29-V31 PolarHBondContact O-N 2.77Å; T29-V31 WeakPolarHBondContact OG1-CG2 3.39Å; T29-D32 WeakPolarHBondContact CB-OD2 3.49Å; T29-D32 WeakPolarHBondContact CG2-OD2 3.4Å; T29-D32 PolarHBondContact N-OD2 2.66Å; T29-D32 WeakPolarHBondContact O-CA 3.47Å; T29-D32 WeakPolarHBondContact O-CB 3.47Å; T29-D32 PolarHBondContact O-N 2.98Å; T29-D32 PolarHBondContact OG1-N 3.44Å; T29-D32 VanDerWaalsContact OG1-N 3.07Å; T29-D32 PolarHBondContact OG1-OD2 2.86Å; T29-L33 PolarHBondContact O-N 3.29Å
30	E	52.5	Low	46.9	Very low	39 Å²	39	107.7 Å²	107.7	18%	0.182	58%	0.576	C	S	.	*	G	3₁₀ helix	trans	-56	-22.7	173.5	-68.1	108.6	-178	0	0	110.9	L33 V120 K123 H124 Y152	E30-L33 WeakPolarHBondContact O-CB 3.49Å; E30-V120 HydrophobicContact CG-CG1 4.46Å; E30-K123 IonicContact OE1-NZ 3.53Å; E30-K123 PolarHBondContact OE1-NZ 3.42Å; E30-K123 IonicContact OE2-NZ 3.67Å; E30-H124 IonicContact OE2-CE1 2.71Å; E30-H124 IonicContact OE2-NE2 3.82Å; E30-H124 PolarHBondContact OE2-NE2 3.07Å; E30-Y152 PolarHBondContact O-OH 2.9Å; E30-Y152 VanDerWaalsContact O-OH 3.06Å
31	V	49	Very low	48	Very low	78 Å²	78	110.4 Å²	110.4	47%	0.473	57%	0.573	S	S	.	*	G	3₁₀ helix	trans	-71.7	-32.9	170.5	-131.7	0	0	0	0	113.4	T29 L33	T29-V31 PolarHBondContact O-N 2.77Å; T29-V31 WeakPolarHBondContact OG1-CG2 3.39Å; V31-L33 VanDerWaalsContact C-N 3.26Å; V31-L33 PolarHBondContact O-N 3.06Å
32	D	50.7	Low	49.5	Very low	78 Å²	78	113 Å²	113	42%	0.417	57%	0.566	S	S	.	*	G	3₁₀ helix	trans	-78.6	-2.2	175.6	-61.9	-45.7	0	0	0	113.5	L28 T29 Y34	L28-D32 HydrophobicContact CD2-CB 4.3Å; T29-D32 WeakPolarHBondContact CB-OD2 3.49Å; T29-D32 WeakPolarHBondContact CG2-OD2 3.4Å; T29-D32 PolarHBondContact N-OD2 2.66Å; T29-D32 WeakPolarHBondContact O-CA 3.47Å; T29-D32 WeakPolarHBondContact O-CB 3.47Å; T29-D32 PolarHBondContact O-N 2.98Å; T29-D32 PolarHBondContact OG1-N 3.44Å; T29-D32 VanDerWaalsContact OG1-N 3.07Å; T29-D32 PolarHBondContact OG1-OD2 2.86Å; D32-Y34 PolarHBondContact O-N 3.05Å
33	L	50.3	Low	51.3	Low	108 Å²	108	105.4 Å²	105.4	57%	0.565	54%	0.542	S	S	*	.			trans	-63.5	13.6	162.9	-78.5	164.8	0	0	0	112.7	T29 E30 V31 R35	T29-L33 PolarHBondContact O-N 3.29Å; E30-L33 WeakPolarHBondContact O-CB 3.49Å; V31-L33 VanDerWaalsContact C-N 3.26Å; V31-L33 PolarHBondContact O-N 3.06Å; L33-R35 PolarHBondContact O-N 3.14Å
34	Y	48.5	Very low	53.2	Low	156 Å²	156	106.2 Å²	106.2	61%	0.612	53%	0.531	S	S	*	.			trans	-54.5	65.4	166.9	-132.4	-88.1	0	0	0	112.9	D32	D32-Y34 PolarHBondContact O-N 3.05Å
35	R	48.5	Very low	55	Low	172 Å²	172	105.1 Å²	105.1	65%	0.649	53%	0.526	S	S	*	.			trans	-115.5	13.1	156.9	-90.5	-171.7	173.6	-175.1	-0.2	111.3	L33 Q37 K38	L33-R35 PolarHBondContact O-N 3.14Å; R35-Q37 VanDerWaalsContact C-N 3.31Å; R35-Q37 PolarHBondContact O-N 3.34Å; R35-K38 PolarHBondContact O-N 2.85Å; R35-K38 VanDerWaalsContact O-N 3.11Å
36	S	51.5	Low	57.1	Low	17 Å²	17	101.7 Å²	101.7	12%	0.119	50%	0.499	C	S	.	.	H	α-helix	trans	-66.4	-25	-174.5	69.7	0	0	0	0	114.6	K38 A39 E40 M155	S36-K38 PolarHBondContact O-N 3.04Å; S36-K38 VanDerWaalsContact O-N 3.1Å; S36-A39 WeakPolarHBondContact O-CA 3.49Å; S36-A39 WeakPolarHBondContact O-CB 3.09Å; S36-A39 PolarHBondContact O-N 2.73Å; S36-E40 PolarHBondContact O-N 2.97Å; S36-M155 WeakPolarHBondContact CB-SD 3.33Å; S36-M155 WeakPolarHBondContact OG-CE 3.43Å
37	Q	51.1	Low	58.9	Low	143 Å²	143	104.9 Å²	104.9	67%	0.668	51%	0.509	S	S	*	.	H	α-helix	trans	-58.5	-27.3	173.5	-77.7	-171.9	-12.2	0	0	112.3	R35	R35-Q37 VanDerWaalsContact C-N 3.31Å; R35-Q37 PolarHBondContact O-N 3.34Å
38	K	53.5	Low	60.4	Low	141 Å²	141	104.6 Å²	104.6	61%	0.613	50%	0.502	S	S	*	.	H	α-helix	trans	-77	-33.8	170.4	-72.7	-168.4	177	-172.2	0	112.1	R35 S36 N41 Y42	R35-K38 PolarHBondContact O-N 2.85Å; R35-K38 VanDerWaalsContact O-N 3.11Å; S36-K38 PolarHBondContact O-N 3.04Å; S36-K38 VanDerWaalsContact O-N 3.1Å; K38-N41 PolarHBondContact O-N 3.48Å; K38-Y42 WeakPolarHBondContact O-CD2 3.33Å
39	A	58.6	Low	62.3	Low	36 Å²	36	98.5 Å²	98.5	30%	0.298	47%	0.472	S	S	.	.	H	α-helix	trans	-65.4	-36.4	179.8	0	0	0	0	0	112.1	S36 N41 Y42 L43	S36-A39 WeakPolarHBondContact O-CA 3.49Å; S36-A39 WeakPolarHBondContact O-CB 3.09Å; S36-A39 PolarHBondContact O-N 2.73Å; A39-N41 PolarHBondContact O-N 3.01Å; A39-N41 VanDerWaalsContact O-N 3.14Å; A39-Y42 CarbonylContact O-C 3.55Å; A39-Y42 WeakPolarHBondContact O-CA 3.48Å; A39-Y42 PolarHBondContact O-N 2.68Å; A39-L43 HydrophobicContact CB-CD1 4.43Å; A39-L43 PolarHBondContact O-N 2.79Å
40	E	60.7	Low	63.9	Low	114 Å²	114	96.8 Å²	96.8	53%	0.533	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-32.8	176.4	-71.1	176.8	-172.2	0	0	113.1	S36 Y42	S36-E40 PolarHBondContact O-N 2.97Å; E40-Y42 VanDerWaalsContact C-N 3.27Å; E40-Y42 PolarHBondContact O-N 3.06Å
41	N	67	Low	65.3	Low	131 Å²	131	97.4 Å²	97.4	70%	0.701	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-22.1	176.5	-69.3	-21.8	0	0	0	113.1	K38 A39	K38-N41 PolarHBondContact O-N 3.48Å; A39-N41 PolarHBondContact O-N 3.01Å; A39-N41 VanDerWaalsContact O-N 3.14Å
42	Y	71.6	Confident	66.9	Low	137 Å²	137	96 Å²	96	54%	0.537	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-39.9	-177.9	-62.1	-74.7	0	0	0	112.9	K38 A39 E40 C52	K38-Y42 WeakPolarHBondContact O-CD2 3.33Å; A39-Y42 CarbonylContact O-C 3.55Å; A39-Y42 WeakPolarHBondContact O-CA 3.48Å; A39-Y42 PolarHBondContact O-N 2.68Å; E40-Y42 VanDerWaalsContact C-N 3.27Å; E40-Y42 PolarHBondContact O-N 3.06Å; Y42-C52 VanDerWaalsContact O-CA 3.31Å; Y42-C52 WeakPolarHBondContact O-CA 3.35Å
43	L	75.7	Confident	68.6	Low	73 Å²	73	100 Å²	100	38%	0.382	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	114.7	-176	-64.6	176.1	0	0	0	109.6	A39 I50 Q51 C52	A39-L43 HydrophobicContact CB-CD1 4.43Å; A39-L43 PolarHBondContact O-N 2.79Å; L43-I50 HydrophobicContact CB-CG2 3.8Å; L43-I50 HydrophobicContact CD2-CG2 3.7Å; L43-I50 HydrophobicContact CG-CG2 4.25Å; L43-Q51 CarbonylContact C-O 3.17Å; L43-Q51 WeakPolarHBondContact CA-O 3.35Å; L43-C52 HydrophobicContact CD2-CB 3.67Å
44	K	79.3	Confident	70.1	Confident	134 Å²	134	103.7 Å²	103.7	58%	0.583	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.5	126.5	174.2	-63.8	-178	-179.3	-178.8	0	108.7	I46 Q51	K44-I46 PolarHBondContact O-N 3.04Å; K44-Q51 PolarHBondContact N-O 3.19Å; K44-Q51 PolarHBondContact O-N 2.94Å
45	P	77.3	Confident	71.7	Confident	84 Å²	84	100.8 Å²	100.8	55%	0.545	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	136.5	171.1	27.5	-33.8	0	0	0	109.2
46	I	81.3	Confident	73.4	Confident	45 Å²	45	98.7 Å²	98.7	23%	0.231	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	169.1	172.2	58.3	171.3	0	0	0	109	K44 Y48 G49 Q51 K56 N58	K44-I46 PolarHBondContact O-N 3.04Å; I46-Y48 PolarHBondContact O-N 3.16Å; I46-Y48 VanDerWaalsContact O-N 3.09Å; I46-G49 WeakPolarHBondContact CG1-O 3.15Å; I46-G49 PolarHBondContact N-O 3.27Å; I46-G49 PolarHBondContact O-N 3.05Å; I46-G49 VanDerWaalsContact O-O 3.07Å; I46-Q51 HydrophobicContact CD1-CB 4.39Å; I46-Q51 HydrophobicContact CG2-CB 3.59Å; I46-K56 HydrophobicContact CD1-CB 3.9Å; I46-K56 HydrophobicContact CD1-CD 4.2Å; I46-K56 HydrophobicContact CD1-CG 4.04Å; I46-N58 VanDerWaalsContact CD1-OD1 3.27Å; I46-N58 WeakPolarHBondContact CD1-OD1 3.48Å
47	E	76.6	Confident	74.8	Confident	150 Å²	150	102.8 Å²	102.8	70%	0.701	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	118.7	174	-157.3	-172.4	164.4	0	0	109.7	G49	E47-G49 VanDerWaalsContact C-N 3.31Å; E47-G49 PolarHBondContact O-N 2.88Å
48	Y	73.7	Confident	76.3	Confident	163 Å²	163	99.6 Å²	99.6	64%	0.639	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	34.6	-175.7	-48.7	-70.8	0	0	0	114.7	I46 N58 F59	I46-Y48 PolarHBondContact O-N 3.16Å; I46-Y48 VanDerWaalsContact O-N 3.09Å; Y48-N58 CarbonylContact O-C 3.54Å; Y48-N58 WeakPolarHBondContact O-CA 3.42Å; Y48-F59 PolarHBondContact O-N 3.11Å
49	G	81.6	Confident	77.5	Confident	8 Å²	8	95.5 Å²	95.5	8%	0.082	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.3	-167.5	-176.8	0	0	0	0	0	116.8	I46 E47 I57	I46-G49 WeakPolarHBondContact CG1-O 3.15Å; I46-G49 PolarHBondContact N-O 3.27Å; I46-G49 PolarHBondContact O-N 3.05Å; I46-G49 VanDerWaalsContact O-O 3.07Å; E47-G49 VanDerWaalsContact C-N 3.31Å; E47-G49 PolarHBondContact O-N 2.88Å; G49-I57 CarbonylContact C-O 3.51Å; G49-I57 WeakPolarHBondContact CA-O 3.46Å
50	I	83.1	Confident	78.4	Confident	26 Å²	26	99.5 Å²	99.5	13%	0.133	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	141	172	-52.6	174.9	0	0	0	109.5	L43 I57 F59 G156	L43-I50 HydrophobicContact CB-CG2 3.8Å; L43-I50 HydrophobicContact CD2-CG2 3.7Å; L43-I50 HydrophobicContact CG-CG2 4.25Å; I50-I57 PolarHBondContact N-O 3.42Å; I50-I57 PolarHBondContact O-N 3.3Å; I50-F59 HydrophobicContact CD1-CE2 4.11Å; I50-F59 HydrophobicContact CD1-CZ 3.93Å; I50-F59 HydrophobicContact CG1-CE2 3.82Å; I50-F59 HydrophobicContact CG1-CZ 3.99Å; I50-G156 WeakPolarHBondContact CD1-O 3.43Å
51	Q	82.7	Confident	79.2	Confident	51 Å²	51	98 Å²	98	24%	0.238	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	126.9	171.3	-179.9	173.3	-4.7	0	0	110.6	L43 K44 I46 K53 T55 K56	L43-Q51 CarbonylContact C-O 3.17Å; L43-Q51 WeakPolarHBondContact CA-O 3.35Å; K44-Q51 PolarHBondContact N-O 3.19Å; K44-Q51 PolarHBondContact O-N 2.94Å; I46-Q51 HydrophobicContact CD1-CB 4.39Å; I46-Q51 HydrophobicContact CG2-CB 3.59Å; Q51-K53 WeakPolarHBondContact CG-O 3.18Å; Q51-K53 PolarHBondContact NE2-O 3.04Å; Q51-T55 CarbonylContact C-O 3.6Å; Q51-T55 WeakPolarHBondContact CA-O 3.24Å; Q51-K56 HydrophobicContact CB-CG 4.09Å; Q51-K56 HydrophobicContact CG-CG 3.82Å; Q51-K56 VanDerWaalsContact OE1-CE 3.28Å
52	C	82.7	Confident	80	Confident	50 Å²	50	92 Å²	92	34%	0.338	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	109.9	167.8	-168.7	0	0	0	0	109.8	Y42 L43 E54 T55	Y42-C52 VanDerWaalsContact O-CA 3.31Å; Y42-C52 WeakPolarHBondContact O-CA 3.35Å; L43-C52 HydrophobicContact CD2-CB 3.67Å; C52-E54 PolarHBondContact O-N 3.31Å; C52-T55 PolarHBondContact N-O 3.33Å; C52-T55 PolarHBondContact O-N 3.46Å
53	K	84.9	Confident	81	Confident	161 Å²	161	85.8 Å²	85.8	70%	0.7	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	-111.6	-173	-58.3	178.6	179.2	179.1	0	111.1	Q51	Q51-K53 WeakPolarHBondContact CG-O 3.18Å; Q51-K53 PolarHBondContact NE2-O 3.04Å
54	E	82.4	Confident	82	Confident	186 Å²	186	82.3 Å²	82.3	87%	0.869	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-19.5	179.1	-63.4	176.1	-177	0	0	112.7	C52	C52-E54 PolarHBondContact O-N 3.31Å
55	T	82.9	Confident	82.9	Confident	94 Å²	94	76 Å²	76	58%	0.577	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	124.3	-177.4	-50.8	0	0	0	0	110.4	Q51 C52	Q51-T55 CarbonylContact C-O 3.6Å; Q51-T55 WeakPolarHBondContact CA-O 3.24Å; C52-T55 PolarHBondContact N-O 3.33Å; C52-T55 PolarHBondContact O-N 3.46Å
56	K	83.1	Confident	83.8	Confident	129 Å²	129	72 Å²	72	56%	0.561	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.9	128.6	174.4	-65.4	-179.1	178.7	-178.8	0	109.6	I46 Q51	I46-K56 HydrophobicContact CD1-CB 3.9Å; I46-K56 HydrophobicContact CD1-CD 4.2Å; I46-K56 HydrophobicContact CD1-CG 4.04Å; Q51-K56 HydrophobicContact CB-CG 4.09Å; Q51-K56 HydrophobicContact CG-CG 3.82Å; Q51-K56 VanDerWaalsContact OE1-CE 3.28Å
57	I	81.2	Confident	84.7	Confident	102 Å²	102	69.8 Å²	69.8	52%	0.523	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	109.6	173.1	-59.7	175.7	0	0	0	106.7	G49 I50 F59	G49-I57 CarbonylContact C-O 3.51Å; G49-I57 WeakPolarHBondContact CA-O 3.46Å; I50-I57 PolarHBondContact N-O 3.42Å; I50-I57 PolarHBondContact O-N 3.3Å; I57-F59 HydrophobicContact CG2-CD1 4.35Å; I57-F59 HydrophobicContact CG2-CE1 3.97Å
58	N	81.6	Confident	85.6	Confident	76 Å²	76	62.7 Å²	62.7	41%	0.406	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	125.1	174.5	-64.1	-20.7	0	0	0	109.3	I46 Y48 F60	I46-N58 VanDerWaalsContact CD1-OD1 3.27Å; I46-N58 WeakPolarHBondContact CD1-OD1 3.48Å; Y48-N58 CarbonylContact O-C 3.54Å; Y48-N58 WeakPolarHBondContact O-CA 3.42Å; N58-F60 HydrophobicContact CB-CD2 3.99Å; N58-F60 HydrophobicContact CB-CE2 3.48Å; N58-F60 VanDerWaalsContact CB-CE2 3.48Å; N58-F60 HydrophobicContact CB-CZ 3.81Å; N58-F60 PolarHBondContact O-N 3.44Å; N58-F60 VanDerWaalsContact O-N 3.13Å
59	F	79.7	Confident	86.7	Confident	56 Å²	56	57 Å²	57	25%	0.246	28%	0.279	C	S	.	.			trans	-80.3	83.7	172.4	-55.4	-50.9	0	0	0	110	Y48 I50 I57 H61 G156	Y48-F59 PolarHBondContact O-N 3.11Å; I50-F59 HydrophobicContact CD1-CE2 4.11Å; I50-F59 HydrophobicContact CD1-CZ 3.93Å; I50-F59 HydrophobicContact CG1-CE2 3.82Å; I50-F59 HydrophobicContact CG1-CZ 3.99Å; I57-F59 HydrophobicContact CG2-CD1 4.35Å; I57-F59 HydrophobicContact CG2-CE1 3.97Å; F59-H61 PolarHBondContact O-N 3.41Å; F59-G156 VanDerWaalsContact CE2-O 3.3Å; F59-G156 WeakPolarHBondContact CE2-O 3.32Å
60	F	77.6	Confident	87.5	Confident	120 Å²	120	56.7 Å²	56.7	53%	0.526	28%	0.275	S	S	.	.			trans	-80.2	103.3	166.3	-63.6	-67.7	0	0	0	109.1	N58	N58-F60 HydrophobicContact CB-CD2 3.99Å; N58-F60 HydrophobicContact CB-CE2 3.48Å; N58-F60 VanDerWaalsContact CB-CE2 3.48Å; N58-F60 HydrophobicContact CB-CZ 3.81Å; N58-F60 PolarHBondContact O-N 3.44Å; N58-F60 VanDerWaalsContact O-N 3.13Å
61	H	78	Confident	88	Confident	83 Å²	83	58.4 Å²	58.4	38%	0.384	29%	0.29	S	S	.	.			trans	-124.8	146.4	173.3	61.1	68.4	0	0	0	109.9	F59 G109 S158	F59-H61 PolarHBondContact O-N 3.41Å; H61-G109 WeakPolarHBondContact CB-O 3.42Å; H61-S158 PolarHBondContact CD2-OG 2.9Å; H61-S158 PolarHBondContact NE2-OG 3.36Å
62	G	84	Confident	88.6	Confident	3 Å²	3	57.1 Å²	57.1	3%	0.031	29%	0.29	C	S	.	.			trans	-145.2	139.2	164.8	0	0	0	0	0	110	K95 S192	G62-K95 PolarHBondContact O-NZ 2.85Å; G62-K95 VanDerWaalsContact O-NZ 3.14Å; G62-S192 VanDerWaalsContact CA-OG 3.26Å; G62-S192 WeakPolarHBondContact CA-OG 3.24Å
63	T	92.7	Very high	89.2	Confident	8 Å²	8	54.8 Å²	54.8	5%	0.049	27%	0.274	C	S	.	.			trans	-155.6	147.5	-169.2	-70.2	0	0	0	0	108	T65 K95 M107 A108 G191 S192 G193	T63-T65 HydrophobicContact CG2-CG2 3.3Å; T63-K95 HydrophobicContact CG2-CD 3.65Å; T63-K95 PolarHBondContact OG1-NZ 3.06Å; T63-M107 WeakPolarHBondContact CG2-O 2.95Å; T63-A108 HydrophobicContact CG2-CB 4.1Å; T63-G191 CarbonylContact O-C 3.52Å; T63-G191 WeakPolarHBondContact O-CA 3.15Å; T63-S192 PolarHBondContact N-OG 3.03Å; T63-S192 VanDerWaalsContact N-OG 3.12Å; T63-S192 PolarHBondContact O-N 3.07Å; T63-S192 PolarHBondContact O-OG 2.97Å; T63-G193 PolarHBondContact O-N 3.09Å
64	T	96.6	Very high	89.9	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.241	C	C	.	.			trans	-121.7	116.2	158.1	-55.6	0	0	0	0	108.3	T78 D79 G193 A197 I222 A225 S232	T64-T78 WeakPolarHBondContact O-CA 3.46Å; T64-D79 PolarHBondContact N-OD1 2.96Å; T64-D79 PolarHBondContact O-N 2.84Å; T64-G193 WeakPolarHBondContact OG1-CA 3.36Å; T64-A197 HydrophobicContact CG2-CB 3.96Å; T64-I222 HydrophobicContact CG2-CD1 3.56Å; T64-A225 HydrophobicContact CG2-CB 3.6Å; T64-S232 PolarHBondContact N-OG 3.09Å; T64-S232 WeakPolarHBondContact OG1-CB 3.45Å; T64-S232 PolarHBondContact OG1-OG 2.97Å
65	T	97.2	Very high	90.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	150.4	168.1	67.6	0	0	0	0	109.1	T63 A77 T78 S189 V190	T63-T65 HydrophobicContact CG2-CG2 3.3Å; T65-A77 CarbonylContact C-O 3.59Å; T65-A77 WeakPolarHBondContact CA-O 3.41Å; T65-T78 HydrophobicContact CG2-CG2 3.51Å; T65-S189 CarbonylContact O-C 3.29Å; T65-S189 VanDerWaalsContact O-CA 3.25Å; T65-S189 WeakPolarHBondContact O-CA 3.4Å; T65-S189 PolarHBondContact O-OG 2.86Å; T65-V190 PolarHBondContact N-O 2.78Å; T65-V190 PolarHBondContact O-N 3.19Å; T65-V190 WeakPolarHBondContact OG1-CB 3.31Å; T65-V190 PolarHBondContact OG1-O 2.71Å
66	L	97.4	Very high	91.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	151.6	167.7	68.7	85.7	0	0	0	110.8	L68 V76 A77 F188 L201 A218 I222	L66-L68 HydrophobicContact CD1-CD2 4.02Å; L66-V76 WeakPolarHBondContact O-CA 3.44Å; L66-A77 HydrophobicContact CD1-CB 3.94Å; L66-A77 HydrophobicContact CD2-CB 4.41Å; L66-A77 HydrophobicContact CG-CB 3.97Å; L66-A77 PolarHBondContact N-O 3.4Å; L66-A77 PolarHBondContact O-N 3.31Å; L66-F188 CarbonylContact C-O 3.55Å; L66-F188 WeakPolarHBondContact CA-O 3.42Å; L66-L201 HydrophobicContact CB-CD1 4.15Å; L66-L201 HydrophobicContact CD2-CD1 4.13Å; L66-L201 HydrophobicContact CD2-CD2 4.31Å; L66-A218 HydrophobicContact CD1-CB 4.11Å; L66-I222 HydrophobicContact CB-CD1 4.5Å; L66-I222 HydrophobicContact CD2-CD1 3.51Å; L66-I222 HydrophobicContact CD2-CG1 3.69Å; L66-I222 HydrophobicContact CG-CD1 3.88Å; L66-I222 HydrophobicContact CG-CG1 4.27Å
67	A	98.2	Very high	92.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	129.1	167.1	0	0	0	0	0	108.6	V74 I75 V76 T162 V164 I173 L187 F188	A67-V74 HydrophobicContact CB-CG1 4.43Å; A67-I75 CarbonylContact C-O 3.57Å; A67-I75 VanDerWaalsContact CA-O 3.25Å; A67-I75 WeakPolarHBondContact CA-O 3.5Å; A67-V76 HydrophobicContact CB-CG2 4.43Å; A67-T162 HydrophobicContact CB-CG2 3.95Å; A67-V164 HydrophobicContact CB-CG2 3.69Å; A67-I173 HydrophobicContact CB-CD1 4.05Å; A67-I173 HydrophobicContact CB-CG2 3.96Å; A67-L187 WeakPolarHBondContact O-CA 3.25Å; A67-F188 PolarHBondContact N-O 3.37Å; A67-F188 PolarHBondContact O-N 3.23Å
68	L	96.9	Very high	92.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	128.9	179.4	74.4	94.9	0	0	0	110.3	L66 Y70 V74 I75 L187 L201 Y205 M209 A218	L66-L68 HydrophobicContact CD1-CD2 4.02Å; L68-Y70 HydrophobicContact CD1-CD1 4.02Å; L68-Y70 HydrophobicContact CD1-CG 4.44Å; L68-V74 CarbonylContact O-C 3.6Å; L68-V74 VanDerWaalsContact O-CA 3.25Å; L68-V74 WeakPolarHBondContact O-CA 3.31Å; L68-V74 WeakPolarHBondContact O-CG1 3.4Å; L68-I75 HydrophobicContact CD1-CB 4.3Å; L68-I75 HydrophobicContact CD1-CG1 4.26Å; L68-I75 HydrophobicContact CD2-CB 4.15Å; L68-I75 HydrophobicContact CG-CB 3.93Å; L68-I75 HydrophobicContact CG-CG1 4.43Å; L68-I75 PolarHBondContact N-O 3.2Å; L68-I75 PolarHBondContact O-N 2.9Å; L68-L187 HydrophobicContact CB-CD1 4.39Å; L68-L187 HydrophobicContact CB-CG 4.4Å; L68-L201 HydrophobicContact CD2-CD2 4.1Å; L68-Y205 HydrophobicContact CB-CD2 4.49Å; L68-Y205 HydrophobicContact CB-CE2 4.38Å; L68-Y205 HydrophobicContact CD1-CD2 4.4Å; L68-Y205 HydrophobicContact CD1-CE2 4.28Å; L68-M209 HydrophobicContact CD1-SD 4.36Å; L68-A218 HydrophobicContact CD2-CB 4.09Å
69	K	97.4	Very high	93.6	Very high	43 Å²	43	19.1 Å²	19.1	19%	0.187	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	133.3	175.7	-179.1	171.3	169.2	171.8	0	109.8	G73 V74 S171 I173 N186 Y205	K69-G73 CarbonylContact C-O 3.6Å; K69-G73 WeakPolarHBondContact CA-O 3.23Å; K69-V74 HydrophobicContact CB-CG2 3.9Å; K69-V74 HydrophobicContact CG-CG2 4.03Å; K69-S171 WeakPolarHBondContact CD-OG 3.37Å; K69-S171 WeakPolarHBondContact CE-OG 3.18Å; K69-S171 PolarHBondContact NZ-O 3.04Å; K69-I173 HydrophobicContact CB-CD1 3.81Å; K69-I173 HydrophobicContact CB-CG1 4.5Å; K69-N186 HydrophobicContact CB-CB 4.3Å; K69-N186 WeakPolarHBondContact CB-O 3.43Å; K69-N186 PolarHBondContact N-O 3.09Å; K69-Y205 VanDerWaalsContact O-CE2 3.22Å; K69-Y205 WeakPolarHBondContact O-CE2 3.44Å; K69-Y205 VanDerWaalsContact O-CZ 3.3Å; K69-Y205 PolarHBondContact O-OH 3.32Å
70	Y	97	Very high	94.4	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.008	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	-176.8	177.3	76.9	-68.3	0	0	0	109.4	L68 G72 G73 I75 Y207 M209 D211 A214 H240	L68-Y70 HydrophobicContact CD1-CD1 4.02Å; L68-Y70 HydrophobicContact CD1-CG 4.44Å; Y70-G72 VanDerWaalsContact C-N 3.25Å; Y70-G72 VanDerWaalsContact CD2-N 3.26Å; Y70-G72 VanDerWaalsContact CE2-N 3.3Å; Y70-G72 PolarHBondContact O-N 2.83Å; Y70-G73 WeakPolarHBondContact CD1-O 3.37Å; Y70-G73 PolarHBondContact N-O 2.93Å; Y70-G73 PolarHBondContact O-N 3.01Å; Y70-G73 VanDerWaalsContact O-N 3.09Å; Y70-G73 VanDerWaalsContact O-O 3.05Å; Y70-I75 HydrophobicContact CD1-CG1 4.31Å; Y70-I75 HydrophobicContact CE1-CD1 3.83Å; Y70-I75 HydrophobicContact CE1-CG1 3.72Å; Y70-Y207 WeakPolarHBondContact CB-O 3.21Å; Y70-M209 HydrophobicContact CD2-CG 3.34Å; Y70-M209 WeakPolarHBondContact CD2-O 3.46Å; Y70-M209 HydrophobicContact CD2-SD 4.24Å; Y70-M209 HydrophobicContact CE2-CG 4.06Å; Y70-M209 WeakPolarHBondContact CE2-O 3.2Å; Y70-M209 HydrophobicContact CG-CG 3.87Å; Y70-M209 HydrophobicContact CG-SD 4.25Å; Y70-D211 WeakPolarHBondContact OH-CA 3.35Å; Y70-D211 PolarHBondContact OH-OD1 3.14Å; Y70-A214 HydrophobicContact CD1-CB 4.27Å; Y70-A214 HydrophobicContact CD2-CB 4.21Å; Y70-A214 HydrophobicContact CE1-CB 3.96Å; Y70-A214 HydrophobicContact CE2-CB 3.83Å; Y70-A214 HydrophobicContact CG-CB 4.39Å; Y70-H240 AromaticContact CE1-NE2 3.81Å; Y70-H240 AromaticContact CZ-CE1 3.97Å; Y70-H240 AromaticContact CZ-NE2 3.85Å; Y70-H240 PolarHBondContact OH-CE1 3.35Å; Y70-H240 PolarHBondContact OH-NE2 3.45Å; Y70-H240 VanDerWaalsContact OH-NE2 3.11Å
71	S	94.9	Very high	95.2	Very high	63 Å²	63	13.7 Å²	13.7	44%	0.441	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-35.3	-177.9	54	0	0	0	0	114	Y207 M209	S71-Y207 WeakPolarHBondContact CB-O 3.33Å; S71-Y207 PolarHBondContact N-O 3.27Å; S71-Y207 PolarHBondContact OG-O 2.86Å; S71-M209 PolarHBondContact OG-O 3.21Å
72	G	94.4	Very high	95.9	Very high	23 Å²	23	11.1 Å²	11.1	24%	0.237	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-12	179.6	0	0	0	0	0	115	Y70 H240	Y70-G72 VanDerWaalsContact C-N 3.25Å; Y70-G72 VanDerWaalsContact CD2-N 3.26Å; Y70-G72 VanDerWaalsContact CE2-N 3.3Å; Y70-G72 PolarHBondContact O-N 2.83Å; G72-H240 PolarHBondContact O-NE2 2.9Å
73	G	95.8	Very high	96.2	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.01	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	137.9	-134.2	179.3	0	0	0	0	0	113.2	K69 Y70 M241	K69-G73 CarbonylContact C-O 3.6Å; K69-G73 WeakPolarHBondContact CA-O 3.23Å; Y70-G73 WeakPolarHBondContact CD1-O 3.37Å; Y70-G73 PolarHBondContact N-O 2.93Å; Y70-G73 PolarHBondContact O-N 3.01Å; Y70-G73 VanDerWaalsContact O-N 3.09Å; Y70-G73 VanDerWaalsContact O-O 3.05Å; G73-M241 WeakPolarHBondContact CA-O 3.33Å
74	V	98.2	Very high	95.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	127.6	176	178.6	0	0	0	0	110.4	A67 L68 K69 V76 V164 I173 H240 M241	A67-V74 HydrophobicContact CB-CG1 4.43Å; L68-V74 CarbonylContact O-C 3.6Å; L68-V74 VanDerWaalsContact O-CA 3.25Å; L68-V74 WeakPolarHBondContact O-CA 3.31Å; L68-V74 WeakPolarHBondContact O-CG1 3.4Å; K69-V74 HydrophobicContact CB-CG2 3.9Å; K69-V74 HydrophobicContact CG-CG2 4.03Å; V74-V76 HydrophobicContact CG1-CG2 4.24Å; V74-V164 HydrophobicContact CB-CG1 3.79Å; V74-V164 HydrophobicContact CG1-CG1 3.4Å; V74-V164 VanDerWaalsContact CG1-CG1 3.4Å; V74-V164 HydrophobicContact CG1-CG2 4.3Å; V74-V164 HydrophobicContact CG2-CG1 4.35Å; V74-I173 HydrophobicContact CB-CD1 4.48Å; V74-I173 HydrophobicContact CG1-CD1 3.57Å; V74-I173 HydrophobicContact CG1-CG1 3.87Å; V74-I173 HydrophobicContact CG2-CD1 4.04Å; V74-I173 HydrophobicContact CG2-CG1 3.94Å; V74-H240 CarbonylContact O-C 3.53Å; V74-M241 HydrophobicContact CB-CB 4.11Å; V74-M241 PolarHBondContact N-O 3.46Å; V74-M241 PolarHBondContact O-N 2.89Å
75	I	98.3	Very high	95.2	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	133.7	169.1	-54.2	-51.4	0	0	0	108.9	A67 L68 Y70 A214 Y215 A218 L238 Y239 H240	A67-I75 CarbonylContact C-O 3.57Å; A67-I75 VanDerWaalsContact CA-O 3.25Å; A67-I75 WeakPolarHBondContact CA-O 3.5Å; L68-I75 HydrophobicContact CD1-CB 4.3Å; L68-I75 HydrophobicContact CD1-CG1 4.26Å; L68-I75 HydrophobicContact CD2-CB 4.15Å; L68-I75 HydrophobicContact CG-CB 3.93Å; L68-I75 HydrophobicContact CG-CG1 4.43Å; L68-I75 PolarHBondContact N-O 3.2Å; L68-I75 PolarHBondContact O-N 2.9Å; Y70-I75 HydrophobicContact CD1-CG1 4.31Å; Y70-I75 HydrophobicContact CE1-CD1 3.83Å; Y70-I75 HydrophobicContact CE1-CG1 3.72Å; I75-A214 HydrophobicContact CG1-CB 3.86Å; I75-Y215 HydrophobicContact CD1-CD1 3.63Å; I75-Y215 HydrophobicContact CD1-CE1 3.42Å; I75-Y215 VanDerWaalsContact CD1-CE1 3.42Å; I75-Y215 HydrophobicContact CG1-CD1 4.3Å; I75-A218 HydrophobicContact CG2-CB 3.58Å; I75-L238 HydrophobicContact CG2-CD1 3.35Å; I75-L238 HydrophobicContact CG2-CG 4.34Å; I75-Y239 WeakPolarHBondContact CA-O 3.23Å; I75-H240 HydrophobicContact CD1-CB 3.85Å
76	V	98.5	Very high	94.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125.5	172	-171.2	0	0	0	0	107.6	L66 A67 V74 I96 L104 T106 V164 Y239	L66-V76 WeakPolarHBondContact O-CA 3.44Å; A67-V76 HydrophobicContact CB-CG2 4.43Å; V74-V76 HydrophobicContact CG1-CG2 4.24Å; V76-I96 HydrophobicContact CB-CD1 4.33Å; V76-I96 HydrophobicContact CG1-CD1 3.88Å; V76-I96 HydrophobicContact CG1-CG1 4.06Å; V76-L104 HydrophobicContact CG2-CD1 4.21Å; V76-T106 HydrophobicContact CG1-CG2 3.6Å; V76-V164 HydrophobicContact CG2-CB 3.93Å; V76-V164 HydrophobicContact CG2-CG1 3.75Å; V76-V164 HydrophobicContact CG2-CG2 3.76Å; V76-Y239 PolarHBondContact N-O 3.36Å; V76-Y239 PolarHBondContact O-N 3.13Å
77	A	98.4	Very high	94.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	140.8	177.5	0	0	0	0	0	111.6	T65 L66 A218 I222 V236 N237 L238	T65-A77 CarbonylContact C-O 3.59Å; T65-A77 WeakPolarHBondContact CA-O 3.41Å; L66-A77 HydrophobicContact CD1-CB 3.94Å; L66-A77 HydrophobicContact CD2-CB 4.41Å; L66-A77 HydrophobicContact CG-CB 3.97Å; L66-A77 PolarHBondContact N-O 3.4Å; L66-A77 PolarHBondContact O-N 3.31Å; A77-A218 HydrophobicContact CB-CB 4.06Å; A77-I222 HydrophobicContact CB-CD1 4.42Å; A77-I222 HydrophobicContact CB-CG1 3.77Å; A77-V236 HydrophobicContact CB-CG1 4.43Å; A77-N237 WeakPolarHBondContact CA-O 3.24Å; A77-L238 HydrophobicContact CB-CD1 3.73Å
78	T	97.9	Very high	94	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	154.4	177	73.3	0	0	0	0	111.6	T64 T65 K95 I96 V236 N237	T64-T78 WeakPolarHBondContact O-CA 3.46Å; T65-T78 HydrophobicContact CG2-CG2 3.51Å; T78-K95 HydrophobicContact CG2-CB 4.25Å; T78-I96 HydrophobicContact CG2-CD1 3.92Å; T78-I96 HydrophobicContact CG2-CG1 3.4Å; T78-I96 VanDerWaalsContact CG2-CG1 3.4Å; T78-V236 CarbonylContact O-C 3.57Å; T78-V236 WeakPolarHBondContact O-CA 3.29Å; T78-N237 PolarHBondContact N-O 3.45Å; T78-N237 PolarHBondContact O-N 3.35Å
79	D	97.2	Very high	93.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.224	C	C	.	.			trans	-71.8	176.1	163.9	87.9	-63.5	0	0	0	111.3	T64 R81 K95 I222 T226 S232 G233 F235	T64-D79 PolarHBondContact N-OD1 2.96Å; T64-D79 PolarHBondContact O-N 2.84Å; D79-R81 PolarHBondContact OD2-N 3.47Å; D79-R81 VanDerWaalsContact OD2-N 3.07Å; D79-K95 VanDerWaalsContact CG-NZ 3.34Å; D79-K95 IonicContact OD1-NZ 3.83Å; D79-K95 PolarHBondContact OD1-NZ 3.2Å; D79-K95 IonicContact OD2-NZ 3.86Å; D79-K95 PolarHBondContact OD2-NZ 3.34Å; D79-I222 HydrophobicContact CB-CG2 4.15Å; D79-T226 HydrophobicContact CB-CG2 4.03Å; D79-S232 WeakPolarHBondContact OD2-CA 3.37Å; D79-G233 PolarHBondContact OD2-N 2.88Å; D79-G233 VanDerWaalsContact OD2-N 3.09Å; D79-F235 CarbonylContact C-O 3.59Å; D79-F235 VanDerWaalsContact C-O 3.29Å; D79-F235 WeakPolarHBondContact CA-O 3.49Å
80	S	96.5	Very high	93.4	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.014	23%	0.227	C	C	.	.			trans	-125.4	4.7	-178.4	-52.6	0	0	0	0	114.5	G91 T92 T93 G233 F235 N237	S80-G91 VanDerWaalsContact CB-O 3.27Å; S80-G91 WeakPolarHBondContact CB-O 3.29Å; S80-G91 CarbonylContact O-C 3.49Å; S80-T92 PolarHBondContact O-N 2.84Å; S80-T93 VanDerWaalsContact CA-O 3.24Å; S80-T93 WeakPolarHBondContact CA-O 3.23Å; S80-T93 WeakPolarHBondContact CB-O 3.16Å; S80-T93 WeakPolarHBondContact O-CB 3.41Å; S80-T93 PolarHBondContact O-N 3.38Å; S80-G233 PolarHBondContact N-O 3.35Å; S80-F235 WeakPolarHBondContact CB-O 3.33Å; S80-F235 PolarHBondContact N-O 3.41Å; S80-F235 PolarHBondContact OG-O 2.97Å; S80-N237 PolarHBondContact OG-ND2 3.09Å
81	R	94.8	Very high	93.2	Very high	60 Å²	60	37.6 Å²	37.6	23%	0.226	24%	0.239	C	C	.	.			trans	-83.2	125.2	-178.6	-178.3	176	-73.4	171.6	2.8	110.4	D79 T83 I88 S90 K95 A230 A231 S232 G233	D79-R81 PolarHBondContact OD2-N 3.47Å; D79-R81 VanDerWaalsContact OD2-N 3.07Å; R81-T83 HydrophobicContact CG-CG2 3.91Å; R81-I88 HydrophobicContact CG-CG1 4.48Å; R81-I88 HydrophobicContact CG-CG2 4.01Å; R81-S90 CarbonylContact C-O 3.13Å; R81-S90 WeakPolarHBondContact CA-O 3.42Å; R81-K95 WeakPolarHBondContact O-CE 3.42Å; R81-K95 PolarHBondContact O-NZ 3.22Å; R81-A230 PolarHBondContact NH1-O 3.17Å; R81-A231 WeakPolarHBondContact CD-O 3.5Å; R81-S232 PolarHBondContact NH1-O 3.46Å; R81-G233 WeakPolarHBondContact CB-O 3.25Å; R81-G233 PolarHBondContact N-O 3.02Å
82	A	91.7	Very high	93.1	Very high	28 Å²	28	39.3 Å²	39.3	23%	0.231	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	126.6	166.7	0	0	0	0	0	108.7	A89 S90	A82-A89 PolarHBondContact O-N 2.88Å; A82-S90 PolarHBondContact N-O 3.46Å; A82-S90 PolarHBondContact O-N 2.89Å
83	T	89.9	Confident	93.1	Very high	24 Å²	24	39.7 Å²	39.7	15%	0.147	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	151.7	178.6	56.7	0	0	0	0	111.2	R81 Y87 I88 A231	R81-T83 HydrophobicContact CG-CG2 3.91Å; T83-Y87 CarbonylContact C-O 3.6Å; T83-Y87 VanDerWaalsContact CA-O 3.31Å; T83-Y87 WeakPolarHBondContact CA-O 3.34Å; T83-I88 HydrophobicContact CG2-CG1 4.45Å; T83-A231 HydrophobicContact CG2-CB 4.27Å
84	A	85.3	Confident	92.9	Very high	60 Å²	60	45.5 Å²	45.5	50%	0.496	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	81.2	168.3	0	0	0	0	0	107.1	Y87	A84-Y87 PolarHBondContact N-O 3.11Å; A84-Y87 PolarHBondContact O-N 3.01Å
85	G	84.1	Confident	92.8	Very high	23 Å²	23	45.8 Å²	45.8	24%	0.237	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	-128.7	-167.6	0	0	0	0	0	111	Y87	G85-Y87 PolarHBondContact O-N 3.02Å
86	P	86.1	Confident	92.8	Very high	143 Å²	143	46.2 Å²	46.2	93%	0.929	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-10.8	178.6	32.4	-35.6	0	0	0	113.5
87	Y	89.7	Confident	92.6	Very high	162 Å²	162	47.9 Å²	47.9	64%	0.635	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	130.6	-177.9	-179.5	-106.7	0	0	0	111.3	T83 A84 G85 A89	T83-Y87 CarbonylContact C-O 3.6Å; T83-Y87 VanDerWaalsContact CA-O 3.31Å; T83-Y87 WeakPolarHBondContact CA-O 3.34Å; A84-Y87 PolarHBondContact N-O 3.11Å; A84-Y87 PolarHBondContact O-N 3.01Å; G85-Y87 PolarHBondContact O-N 3.02Å; Y87-A89 HydrophobicContact CD1-CB 4.32Å; Y87-A89 HydrophobicContact CE1-CB 4.29Å; Y87-A89 PolarHBondContact O-N 3.27Å
88	I	91.2	Very high	92.5	Very high	79 Å²	79	52.4 Å²	52.4	41%	0.405	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	105.7	172.2	-61.1	170.5	0	0	0	108	R81 T83	R81-I88 HydrophobicContact CG-CG1 4.48Å; R81-I88 HydrophobicContact CG-CG2 4.01Å; T83-I88 HydrophobicContact CG2-CG1 4.45Å
89	A	89.9	Confident	92.4	Very high	60 Å²	60	53.1 Å²	53.1	50%	0.496	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	-34.7	-179.5	0	0	0	0	0	112.4	A82 Y87	A82-A89 PolarHBondContact O-N 2.88Å; Y87-A89 HydrophobicContact CD1-CB 4.32Å; Y87-A89 HydrophobicContact CE1-CB 4.29Å; Y87-A89 PolarHBondContact O-N 3.27Å
90	S	92.6	Very high	92.3	Very high	35 Å²	35	55.6 Å²	55.6	25%	0.245	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	145.2	175.8	174.2	0	0	0	0	111.1	R81 A82 T92 T93	R81-S90 CarbonylContact C-O 3.13Å; R81-S90 WeakPolarHBondContact CA-O 3.42Å; A82-S90 PolarHBondContact N-O 3.46Å; A82-S90 PolarHBondContact O-N 2.89Å; S90-T92 PolarHBondContact OG-N 3.26Å; S90-T92 PolarHBondContact OG-OG1 3.37Å; S90-T93 WeakPolarHBondContact CB-OG1 3.2Å; S90-T93 PolarHBondContact OG-OG1 3.18Å
91	G	91	Very high	92.2	Very high	27 Å²	27	61.5 Å²	61.5	28%	0.278	35%	0.346	S	S	.	.	S	Bend	trans	-102.8	-0.8	173.6	0	0	0	0	0	114.3	S80 G234 F235	S80-G91 VanDerWaalsContact CB-O 3.27Å; S80-G91 WeakPolarHBondContact CB-O 3.29Å; S80-G91 CarbonylContact O-C 3.49Å; G91-G234 WeakPolarHBondContact O-CA 3.5Å; G91-F235 WeakPolarHBondContact O-CD2 3.38Å
92	T	93.4	Very high	92.3	Very high	98 Å²	98	61.3 Å²	61.3	60%	0.601	35%	0.345	S	S	*	.			trans	-127.3	16.8	-167.6	53.5	0	0	0	0	113.2	S80 S90 K94 F235	S80-T92 PolarHBondContact O-N 2.84Å; S90-T92 PolarHBondContact OG-N 3.26Å; S90-T92 PolarHBondContact OG-OG1 3.37Å; T92-K94 PolarHBondContact O-N 2.72Å; T92-F235 HydrophobicContact CG2-CD2 4.14Å; T92-F235 HydrophobicContact CG2-CE2 3.73Å
93	T	93.8	Very high	92.6	Very high	32 Å²	32	60.1 Å²	60.1	20%	0.196	34%	0.335	C	S	.	.			trans	-68.3	126.3	-177.7	-59.9	0	0	0	0	110.6	S80 S90 K95	S80-T93 VanDerWaalsContact CA-O 3.24Å; S80-T93 WeakPolarHBondContact CA-O 3.23Å; S80-T93 WeakPolarHBondContact CB-O 3.16Å; S80-T93 WeakPolarHBondContact O-CB 3.41Å; S80-T93 PolarHBondContact O-N 3.38Å; S90-T93 WeakPolarHBondContact CB-OG1 3.2Å; S90-T93 PolarHBondContact OG-OG1 3.18Å; T93-K95 HydrophobicContact CG2-CG 4.27Å; T93-K95 PolarHBondContact O-N 2.96Å
94	K	93.4	Very high	93	Very high	123 Å²	123	59 Å²	59	54%	0.535	33%	0.328	S	S	.	.			trans	-80.5	111.4	173.1	-65.8	-175.7	177.7	-174.4	0	109.7	T92	T92-K94 PolarHBondContact O-N 2.72Å
95	K	95.7	Very high	93.6	Very high	6 Å²	6	56.1 Å²	56.1	3%	0.026	30%	0.304	C	S	.	.			trans	-98.2	5.2	179.6	-61.4	-177.8	-172.5	178	0	113.6	G62 T63 T78 D79 R81 T93 T106 M107	G62-K95 PolarHBondContact O-NZ 2.85Å; G62-K95 VanDerWaalsContact O-NZ 3.14Å; T63-K95 HydrophobicContact CG2-CD 3.65Å; T63-K95 PolarHBondContact OG1-NZ 3.06Å; T78-K95 HydrophobicContact CG2-CB 4.25Å; D79-K95 VanDerWaalsContact CG-NZ 3.34Å; D79-K95 IonicContact OD1-NZ 3.83Å; D79-K95 PolarHBondContact OD1-NZ 3.2Å; D79-K95 IonicContact OD2-NZ 3.86Å; D79-K95 PolarHBondContact OD2-NZ 3.34Å; R81-K95 WeakPolarHBondContact O-CE 3.42Å; R81-K95 PolarHBondContact O-NZ 3.22Å; T93-K95 HydrophobicContact CG2-CG 4.27Å; T93-K95 PolarHBondContact O-N 2.96Å; K95-T106 CarbonylContact O-C 3.59Å; K95-T106 WeakPolarHBondContact O-CA 3.37Å; K95-M107 HydrophobicContact CB-CB 4.13Å; K95-M107 PolarHBondContact O-N 2.8Å
96	I	97.1	Very high	94.2	Very high	8 Å²	8	55 Å²	55	4%	0.041	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	120.6	167.7	-60.2	171.2	0	0	0	106.5	V76 T78 L104 G105 N237 Y239	V76-I96 HydrophobicContact CB-CD1 4.33Å; V76-I96 HydrophobicContact CG1-CD1 3.88Å; V76-I96 HydrophobicContact CG1-CG1 4.06Å; T78-I96 HydrophobicContact CG2-CD1 3.92Å; T78-I96 HydrophobicContact CG2-CG1 3.4Å; T78-I96 VanDerWaalsContact CG2-CG1 3.4Å; I96-L104 HydrophobicContact CG2-CB 4.35Å; I96-L104 HydrophobicContact CG2-CD1 4.22Å; I96-L104 HydrophobicContact CG2-CD2 4.05Å; I96-L104 HydrophobicContact CG2-CG 4.44Å; I96-G105 WeakPolarHBondContact CA-O 3.4Å; I96-N237 HydrophobicContact CD1-CB 4.14Å; I96-Y239 HydrophobicContact CB-CD2 4.23Å; I96-Y239 HydrophobicContact CB-CE2 4.11Å; I96-Y239 HydrophobicContact CD1-CD2 3.33Å; I96-Y239 HydrophobicContact CD1-CE2 3.85Å; I96-Y239 HydrophobicContact CD1-CG 4.15Å; I96-Y239 HydrophobicContact CG1-CD2 4.35Å; I96-Y239 HydrophobicContact CG2-CD1 4.44Å; I96-Y239 HydrophobicContact CG2-CD2 4.03Å; I96-Y239 HydrophobicContact CG2-CE2 4.16Å; I96-Y239 HydrophobicContact CG2-CG 4.18Å
97	I	95.3	Very high	94.6	Very high	36 Å²	36	48.5 Å²	48.5	19%	0.185	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	128.7	179	-62.8	163.2	0	0	0	108.2	I99 L104 G105 M107 Q115 E118	I97-I99 PolarHBondContact O-N 3.1Å; I97-L104 WeakPolarHBondContact O-CA 3.47Å; I97-G105 PolarHBondContact N-O 3.43Å; I97-G105 PolarHBondContact O-N 2.82Å; I97-M107 HydrophobicContact CD1-CE 3.68Å; I97-M107 HydrophobicContact CG1-CE 4.06Å; I97-Q115 HydrophobicContact CD1-CG 4.19Å; I97-E118 WeakPolarHBondContact CB-OE2 3.41Å; I97-E118 HydrophobicContact CD1-CB 4.19Å; I97-E118 HydrophobicContact CD1-CG 4.38Å; I97-E118 VanDerWaalsContact CD1-OE2 3.22Å; I97-E118 WeakPolarHBondContact CD1-OE2 3.4Å; I97-E118 HydrophobicContact CG2-CB 4.32Å
98	E	95.9	Very high	94.7	Very high	95 Å²	95	41 Å²	41	44%	0.444	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	99.1	177.1	-61.8	164.7	-165	0	0	109.2	L104 Y239 W246	E98-L104 HydrophobicContact CB-CD2 4.36Å; E98-L104 HydrophobicContact CG-CD2 3.95Å; E98-Y239 HydrophobicContact CG-CE1 4.33Å; E98-Y239 PolarHBondContact OE1-OH 2.9Å; E98-W246 HydrophobicContact CB-CZ2 4.02Å; E98-W246 HydrophobicContact CG-CH2 3.98Å; E98-W246 HydrophobicContact CG-CZ2 3.58Å; E98-W246 WeakPolarHBondContact OE1-CH2 3.28Å; E98-W246 VanDerWaalsContact OE2-CH2 3.32Å; E98-W246 WeakPolarHBondContact OE2-CH2 3.49Å; E98-W246 WeakPolarHBondContact OE2-CZ2 3.48Å
99	I	95.8	Very high	94.6	Very high	15 Å²	15	37.7 Å²	37.7	8%	0.077	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	-47.8	179.8	-62	168.6	0	0	0	109.7	I97 L103 L121 A122 I163	I97-I99 PolarHBondContact O-N 3.1Å; I99-L103 HydrophobicContact CB-CB 3.91Å; I99-L103 WeakPolarHBondContact CB-O 3.4Å; I99-L103 HydrophobicContact CD1-CB 4.44Å; I99-L103 HydrophobicContact CG2-CB 4.15Å; I99-L103 HydrophobicContact CG2-CD1 4.37Å; I99-L103 PolarHBondContact N-O 3.42Å; I99-L121 HydrophobicContact CD1-CD2 3.82Å; I99-A122 HydrophobicContact CG2-CB 3.79Å; I99-I163 HydrophobicContact CD1-CD1 3.91Å
100	N	94.9	Very high	94.5	Very high	51 Å²	51	35.4 Å²	35.4	27%	0.273	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	-175.4	169	66.2	40.7	0	0	0	109.6	Y102 L103 W246	N100-Y102 PolarHBondContact O-N 3.31Å; N100-Y102 VanDerWaalsContact O-N 3.07Å; N100-Y102 WeakPolarHBondContact OD1-CA 3.41Å; N100-Y102 PolarHBondContact OD1-N 2.85Å; N100-L103 PolarHBondContact N-O 2.78Å; N100-L103 VanDerWaalsContact N-O 3.16Å; N100-L103 PolarHBondContact O-N 3.47Å; N100-L103 WeakPolarHBondContact OD1-CB 3.33Å; N100-L103 PolarHBondContact OD1-N 2.81Å; N100-W246 VanDerWaalsContact O-CD1 3.23Å; N100-W246 PolarHBondContact O-NE1 3.07Å
101	K	95.5	Very high	94.2	Very high	127 Å²	127	36.1 Å²	36.1	55%	0.552	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-24.3	-178.6	-173.3	174.5	179.3	-167.9	0	114.6	D244 G245 W246	K101-D244 WeakPolarHBondContact CE-O 3.45Å; K101-G245 CarbonylContact O-C 3.6Å; K101-G245 WeakPolarHBondContact O-CA 3.33Å; K101-W246 PolarHBondContact O-N 2.94Å
102	Y	96.9	Very high	94.1	Very high	56 Å²	56	38.3 Å²	38.3	22%	0.22	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	5.7	-175.1	-59.4	-79.7	0	0	0	113.5	N100 G165 W166 E243 D244	N100-Y102 PolarHBondContact O-N 3.31Å; N100-Y102 VanDerWaalsContact O-N 3.07Å; N100-Y102 WeakPolarHBondContact OD1-CA 3.41Å; N100-Y102 PolarHBondContact OD1-N 2.85Å; Y102-G165 CarbonylContact O-C 3.53Å; Y102-G165 WeakPolarHBondContact O-CA 3.49Å; Y102-W166 PolarHBondContact O-N 2.96Å; Y102-W166 VanDerWaalsContact O-N 3.12Å; Y102-E243 WeakPolarHBondContact CE1-O 3.47Å; Y102-D244 VanDerWaalsContact CE1-C 3.44Å; Y102-D244 WeakPolarHBondContact CE1-O 3.32Å
103	L	97.6	Very high	94	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.016	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	126.6	179.8	-72.7	175.6	0	0	0	110.5	I99 N100 I136 V138 A141 I163 V164	I99-L103 HydrophobicContact CB-CB 3.91Å; I99-L103 WeakPolarHBondContact CB-O 3.4Å; I99-L103 HydrophobicContact CD1-CB 4.44Å; I99-L103 HydrophobicContact CG2-CB 4.15Å; I99-L103 HydrophobicContact CG2-CD1 4.37Å; I99-L103 PolarHBondContact N-O 3.42Å; N100-L103 PolarHBondContact N-O 2.78Å; N100-L103 VanDerWaalsContact N-O 3.16Å; N100-L103 PolarHBondContact O-N 3.47Å; N100-L103 WeakPolarHBondContact OD1-CB 3.33Å; N100-L103 PolarHBondContact OD1-N 2.81Å; L103-I136 HydrophobicContact CD1-CG2 3.8Å; L103-V138 HydrophobicContact CD2-CB 4.24Å; L103-V138 HydrophobicContact CD2-CG1 3.95Å; L103-V138 HydrophobicContact CD2-CG2 4.04Å; L103-A141 HydrophobicContact CD1-CB 3.76Å; L103-A141 HydrophobicContact CD2-CB 4.43Å; L103-I163 HydrophobicContact CD2-CG2 4.17Å; L103-V164 CarbonylContact C-O 3.42Å; L103-V164 WeakPolarHBondContact CA-O 3.4Å
104	L	98.3	Very high	93.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	145.9	168.7	-65	175.8	0	0	0	108.9	V76 I96 I97 E98 V164 Y239 M241 W246	V76-L104 HydrophobicContact CG2-CD1 4.21Å; I96-L104 HydrophobicContact CG2-CB 4.35Å; I96-L104 HydrophobicContact CG2-CD1 4.22Å; I96-L104 HydrophobicContact CG2-CD2 4.05Å; I96-L104 HydrophobicContact CG2-CG 4.44Å; I97-L104 WeakPolarHBondContact O-CA 3.47Å; E98-L104 HydrophobicContact CB-CD2 4.36Å; E98-L104 HydrophobicContact CG-CD2 3.95Å; L104-V164 HydrophobicContact CB-CB 4.49Å; L104-V164 PolarHBondContact N-O 2.77Å; L104-V164 PolarHBondContact O-N 3.25Å; L104-Y239 HydrophobicContact CD1-CD1 4.09Å; L104-Y239 HydrophobicContact CD1-CG 4.21Å; L104-Y239 HydrophobicContact CD2-CD1 4.33Å; L104-M241 HydrophobicContact CB-CE 4.35Å; L104-M241 HydrophobicContact CD1-CE 3.98Å; L104-M241 HydrophobicContact CG-CE 3.7Å; L104-W246 HydrophobicContact CD1-CB 3.79Å; L104-W246 HydrophobicContact CD1-CG 4.26Å; L104-W246 HydrophobicContact CD2-CB 4.2Å; L104-W246 HydrophobicContact CD2-CD2 4.17Å; L104-W246 HydrophobicContact CD2-CG 3.75Å; L104-W246 HydrophobicContact CG-CB 4.04Å; L104-W246 HydrophobicContact CG-CG 4.08Å
105	G	97.3	Very high	93.9	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	156.4	166.3	0	0	0	0	0	110.8	I96 I97 E118 T162	I96-G105 WeakPolarHBondContact CA-O 3.4Å; I97-G105 PolarHBondContact N-O 3.43Å; I97-G105 PolarHBondContact O-N 2.82Å; G105-E118 VanDerWaalsContact CA-OE2 3.26Å; G105-E118 WeakPolarHBondContact CA-OE2 3.46Å; G105-T162 WeakPolarHBondContact CA-O 3.46Å
106	T	96.9	Very high	93.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	141	178.7	67.6	0	0	0	0	110.8	V76 K95 T161 T162	V76-T106 HydrophobicContact CG1-CG2 3.6Å; K95-T106 CarbonylContact O-C 3.59Å; K95-T106 WeakPolarHBondContact O-CA 3.37Å; T106-T161 PolarHBondContact N-OG1 3.33Å; T106-T161 WeakPolarHBondContact O-CA 3.49Å; T106-T161 WeakPolarHBondContact O-CB 3.48Å; T106-T161 PolarHBondContact O-OG1 3.35Å; T106-T162 PolarHBondContact N-O 3.38Å; T106-T162 VanDerWaalsContact OG1-CB 3.32Å; T106-T162 WeakPolarHBondContact OG1-CB 3.43Å; T106-T162 PolarHBondContact OG1-N 3.08Å; T106-T162 PolarHBondContact OG1-OG1 3.27Å
107	M	94.3	Very high	93.7	Very high	6 Å²	6	36.6 Å²	36.6	3%	0.03	20%	0.197	C	C	.	.			trans	-98.3	98.8	-179	-179.4	-174.5	-45.1	0	0	111.4	T63 K95 I97 A111 C114 Q115	T63-M107 WeakPolarHBondContact CG2-O 2.95Å; K95-M107 HydrophobicContact CB-CB 4.13Å; K95-M107 PolarHBondContact O-N 2.8Å; I97-M107 HydrophobicContact CD1-CE 3.68Å; I97-M107 HydrophobicContact CG1-CE 4.06Å; M107-A111 HydrophobicContact SD-CB 3.72Å; M107-C114 HydrophobicContact CB-CB 4.18Å; M107-C114 HydrophobicContact CG-CB 3.69Å; M107-Q115 HydrophobicContact CE-CG 3.31Å; M107-Q115 HydrophobicContact SD-CG 4.38Å
108	A	91.7	Very high	93.6	Very high	4 Å²	4	34.9 Å²	34.9	3%	0.033	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	145.5	157.6	0	0	0	0	0	109.9	T63 C114 G160 V190	T63-A108 HydrophobicContact CG2-CB 4.1Å; A108-C114 PolarHBondContact O-SG 2.83Å; A108-G160 WeakPolarHBondContact CA-O 3.17Å; A108-G160 WeakPolarHBondContact CB-O 3.44Å; A108-G160 PolarHBondContact N-O 2.76Å; A108-G160 VanDerWaalsContact N-O 3.13Å; A108-G160 CarbonylContact O-C 3.58Å; A108-G160 WeakPolarHBondContact O-CA 3.39Å; A108-G160 PolarHBondContact O-N 2.97Å; A108-V190 HydrophobicContact CB-CG1 3.84Å
109	G	89.3	Confident	93.6	Very high	10 Å²	10	38.5 Å²	38.5	10%	0.103	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	100.5	-154.8	-168.9	0	0	0	0	0	112.6	H61 A111 S158	H61-G109 WeakPolarHBondContact CB-O 3.42Å; G109-A111 PolarHBondContact O-N 2.8Å; G109-S158 WeakPolarHBondContact CA-OG 3.29Å
110	G	88	Confident	93.5	Very high	12 Å²	12	38.2 Å²	38.2	12%	0.124	20%	0.197	C	C	.	.			trans	-65.5	120.9	176.4	0	0	0	0	0	111.6	A112 D113 C114 S158	G110-A112 VanDerWaalsContact C-N 3.25Å; G110-A112 PolarHBondContact O-N 2.9Å; G110-D113 PolarHBondContact O-N 3.03Å; G110-C114 PolarHBondContact O-N 2.88Å; G110-C114 VanDerWaalsContact O-N 3.11Å; G110-S158 PolarHBondContact N-O 2.79Å; G110-S158 PolarHBondContact N-OG 2.95Å
111	A	87.2	Confident	93.5	Very high	50 Å²	50	35.8 Å²	35.8	41%	0.413	18%	0.184	S	C	.	.	H	α-helix	trans	-57.6	-38.6	-177.8	0	0	0	0	0	112.8	M107 G109 Q115	M107-A111 HydrophobicContact SD-CB 3.72Å; G109-A111 PolarHBondContact O-N 2.8Å; A111-Q115 WeakPolarHBondContact O-CB 3.32Å; A111-Q115 WeakPolarHBondContact O-CG 3.46Å; A111-Q115 PolarHBondContact O-N 2.83Å; A111-Q115 VanDerWaalsContact O-N 3.08Å
112	A	88.9	Confident	93.5	Very high	73 Å²	73	31 Å²	31	60%	0.603	17%	0.168	S	C	*	.	H	α-helix	trans	-64.5	-46.5	178.3	0	0	0	0	0	112.2	G110 F116	G110-A112 VanDerWaalsContact C-N 3.25Å; G110-A112 PolarHBondContact O-N 2.9Å; A112-F116 WeakPolarHBondContact O-CB 3.3Å; A112-F116 PolarHBondContact O-N 3.46Å
113	D	90.3	Very high	93.5	Very high	34 Å²	34	33.9 Å²	33.9	18%	0.182	18%	0.182	C	C	.	.	H	α-helix	trans	-64.2	-49.9	-178	-67.5	-18.4	0	0	0	111.1	G110 Q115 F116 W117 S158 I159	G110-D113 PolarHBondContact O-N 3.03Å; D113-Q115 PolarHBondContact O-N 3.17Å; D113-F116 PolarHBondContact O-N 3.26Å; D113-W117 WeakPolarHBondContact O-CB 3.3Å; D113-W117 PolarHBondContact O-N 2.96Å; D113-S158 PolarHBondContact OD2-N 2.86Å; D113-I159 HydrophobicContact CB-CD1 4.33Å; D113-I159 HydrophobicContact CB-CG1 3.8Å
114	C	92.5	Very high	93.3	Very high	1 Å²	1	36 Å²	36	1%	0.007	19%	0.191	C	C	.	.	H	α-helix	trans	-60.7	-48	178.8	-68.8	0	0	0	0	111.8	M107 A108 G110 F116 E118	M107-C114 HydrophobicContact CB-CB 4.18Å; M107-C114 HydrophobicContact CG-CB 3.69Å; A108-C114 PolarHBondContact O-SG 2.83Å; G110-C114 PolarHBondContact O-N 2.88Å; G110-C114 VanDerWaalsContact O-N 3.11Å; C114-F116 VanDerWaalsContact C-N 3.32Å; C114-F116 PolarHBondContact O-N 3.13Å; C114-E118 VanDerWaalsContact O-CB 3.3Å; C114-E118 WeakPolarHBondContact O-CB 3.45Å; C114-E118 VanDerWaalsContact O-CG 3.31Å; C114-E118 WeakPolarHBondContact O-CG 3.32Å; C114-E118 PolarHBondContact O-N 2.95Å
115	Q	92.6	Very high	93.2	Very high	85 Å²	85	36.1 Å²	36.1	40%	0.397	19%	0.192	S	C	.	.	H	α-helix	trans	-62.8	-39.2	178.3	-72.3	-179.6	23.9	0	0	112.7	I97 M107 A111 D113 R119	I97-Q115 HydrophobicContact CD1-CG 4.19Å; M107-Q115 HydrophobicContact CE-CG 3.31Å; M107-Q115 HydrophobicContact SD-CG 4.38Å; A111-Q115 WeakPolarHBondContact O-CB 3.32Å; A111-Q115 WeakPolarHBondContact O-CG 3.46Å; A111-Q115 PolarHBondContact O-N 2.83Å; A111-Q115 VanDerWaalsContact O-N 3.08Å; D113-Q115 PolarHBondContact O-N 3.17Å; Q115-R119 VanDerWaalsContact O-CB 3.28Å; Q115-R119 WeakPolarHBondContact O-CB 3.42Å; Q115-R119 PolarHBondContact O-N 3.08Å
116	F	94.1	Very high	93.1	Very high	99 Å²	99	42.4 Å²	42.4	43%	0.434	22%	0.216	S	C	.	.	H	α-helix	trans	-67.8	-52.9	-179.6	177.1	-100.7	0	0	0	110.8	A112 D113 C114 E118 R119 V120	A112-F116 WeakPolarHBondContact O-CB 3.3Å; A112-F116 PolarHBondContact O-N 3.46Å; D113-F116 PolarHBondContact O-N 3.26Å; C114-F116 VanDerWaalsContact C-N 3.32Å; C114-F116 PolarHBondContact O-N 3.13Å; F116-E118 PolarHBondContact O-N 2.77Å; F116-R119 WeakPolarHBondContact O-CB 3.46Å; F116-R119 PolarHBondContact O-N 2.97Å; F116-V120 HydrophobicContact CD1-CG2 4.36Å; F116-V120 HydrophobicContact CE1-CG2 3.93Å; F116-V120 HydrophobicContact CE2-CG2 4.29Å; F116-V120 HydrophobicContact CZ-CG2 3.89Å; F116-V120 WeakPolarHBondContact O-CG2 3.31Å; F116-V120 PolarHBondContact O-N 3.1Å
117	W	94	Very high	93	Very high	11 Å²	11	45.2 Å²	45.2	4%	0.042	23%	0.231	C	C	.	.	H	α-helix	trans	-70.4	-32.3	-175	-73.1	115.5	0	0	0	113.5	D113 V120 L121 L145 I148 Y152 I159	D113-W117 WeakPolarHBondContact O-CB 3.3Å; D113-W117 PolarHBondContact O-N 2.96Å; W117-V120 HydrophobicContact CE3-CB 4.1Å; W117-V120 HydrophobicContact CE3-CG1 4.16Å; W117-V120 HydrophobicContact CE3-CG2 4.22Å; W117-V120 HydrophobicContact CZ3-CB 4.49Å; W117-V120 HydrophobicContact CZ3-CG1 4.18Å; W117-V120 HydrophobicContact CZ3-CG2 4.39Å; W117-V120 PolarHBondContact O-N 3.4Å; W117-L121 WeakPolarHBondContact O-CB 3.38Å; W117-L121 PolarHBondContact O-N 3.13Å; W117-L145 HydrophobicContact CB-CD1 4.08Å; W117-I148 HydrophobicContact CD2-CG2 4.21Å; W117-I148 HydrophobicContact CE3-CG2 3.35Å; W117-I148 HydrophobicContact CH2-CG2 3.78Å; W117-I148 HydrophobicContact CZ3-CG2 3.12Å; W117-Y152 AromaticContact CH2-CD2 3.84Å; W117-Y152 HydrophobicContact CH2-CD2 3.84Å; W117-Y152 HydrophobicContact CH2-CE1 4.46Å; W117-Y152 AromaticContact CH2-CE2 3.19Å; W117-Y152 HydrophobicContact CH2-CE2 3.19Å; W117-Y152 AromaticContact CH2-CZ 3.56Å; W117-Y152 HydrophobicContact CZ2-CD1 4.46Å; W117-Y152 AromaticContact CZ2-CD2 3.65Å; W117-Y152 HydrophobicContact CZ2-CD2 3.65Å; W117-Y152 HydrophobicContact CZ2-CE1 4.29Å; W117-Y152 AromaticContact CZ2-CE2 3.46Å; W117-Y152 HydrophobicContact CZ2-CE2 3.46Å; W117-Y152 VanDerWaalsContact CZ2-CE2 3.46Å; W117-Y152 HydrophobicContact CZ2-CG 4.17Å; W117-Y152 AromaticContact CZ2-CZ 3.79Å; W117-Y152 HydrophobicContact CZ3-CE2 4.25Å; W117-I159 HydrophobicContact CB-CD1 4.34Å; W117-I159 HydrophobicContact CG-CD1 3.98Å
118	E	94.3	Very high	93.1	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-71.4	-31.2	173	-69.8	-173.4	-154.2	0	0	112.5	I97 G105 C114 F116 L121 A122 T161	I97-E118 WeakPolarHBondContact CB-OE2 3.41Å; I97-E118 HydrophobicContact CD1-CB 4.19Å; I97-E118 HydrophobicContact CD1-CG 4.38Å; I97-E118 VanDerWaalsContact CD1-OE2 3.22Å; I97-E118 WeakPolarHBondContact CD1-OE2 3.4Å; I97-E118 HydrophobicContact CG2-CB 4.32Å; G105-E118 VanDerWaalsContact CA-OE2 3.26Å; G105-E118 WeakPolarHBondContact CA-OE2 3.46Å; C114-E118 VanDerWaalsContact O-CB 3.3Å; C114-E118 WeakPolarHBondContact O-CB 3.45Å; C114-E118 VanDerWaalsContact O-CG 3.31Å; C114-E118 WeakPolarHBondContact O-CG 3.32Å; C114-E118 PolarHBondContact O-N 2.95Å; F116-E118 PolarHBondContact O-N 2.77Å; E118-L121 WeakPolarHBondContact O-CB 3.3Å; E118-L121 PolarHBondContact O-N 3.29Å; E118-A122 WeakPolarHBondContact O-CB 3.16Å; E118-A122 PolarHBondContact O-N 3.31Å; E118-T161 WeakPolarHBondContact OE1-CB 3.15Å; E118-T161 PolarHBondContact OE1-OG1 2.99Å
119	R	94.6	Very high	93.2	Very high	170 Å²	170	51.3 Å²	51.3	64%	0.642	26%	0.257	S	S	*	.	H	α-helix	trans	-67.2	-40.9	170.6	-171.3	-170.2	-48.1	-163.4	2.7	111.8	Q115 F116 L121 A122 K123	Q115-R119 VanDerWaalsContact O-CB 3.28Å; Q115-R119 WeakPolarHBondContact O-CB 3.42Å; Q115-R119 PolarHBondContact O-N 3.08Å; F116-R119 WeakPolarHBondContact O-CB 3.46Å; F116-R119 PolarHBondContact O-N 2.97Å; R119-L121 VanDerWaalsContact C-N 3.34Å; R119-A122 WeakPolarHBondContact O-CB 3.33Å; R119-A122 PolarHBondContact O-N 3.49Å; R119-K123 PolarHBondContact O-N 3.18Å; R119-K123 VanDerWaalsContact O-N 3.1Å
120	V	94.3	Very high	93.5	Very high	9 Å²	9	55.9 Å²	55.9	6%	0.055	28%	0.279	C	S	.	.	H	α-helix	trans	-61.9	-45	172.7	171.6	0	0	0	0	110	E30 F116 W117 A122 K123 H124 I148	E30-V120 HydrophobicContact CG-CG1 4.46Å; F116-V120 HydrophobicContact CD1-CG2 4.36Å; F116-V120 HydrophobicContact CE1-CG2 3.93Å; F116-V120 HydrophobicContact CE2-CG2 4.29Å; F116-V120 HydrophobicContact CZ-CG2 3.89Å; F116-V120 WeakPolarHBondContact O-CG2 3.31Å; F116-V120 PolarHBondContact O-N 3.1Å; W117-V120 HydrophobicContact CE3-CB 4.1Å; W117-V120 HydrophobicContact CE3-CG1 4.16Å; W117-V120 HydrophobicContact CE3-CG2 4.22Å; W117-V120 HydrophobicContact CZ3-CB 4.49Å; W117-V120 HydrophobicContact CZ3-CG1 4.18Å; W117-V120 HydrophobicContact CZ3-CG2 4.39Å; W117-V120 PolarHBondContact O-N 3.4Å; V120-A122 VanDerWaalsContact C-N 3.35Å; V120-A122 PolarHBondContact O-N 2.91Å; V120-K123 WeakPolarHBondContact O-CB 3.45Å; V120-K123 PolarHBondContact O-N 2.93Å; V120-H124 PolarHBondContact O-CD2 3.08Å; V120-H124 PolarHBondContact O-N 3.4Å; V120-I148 HydrophobicContact CG1-CD1 4.27Å
121	L	95	Very high	94	Very high	0 Å²	0	64 Å²	64	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-57.6	-45.8	173.8	177.2	62.4	0	0	0	111.5	I99 W117 E118 R119 K123 H124 C125 A141 L144 L145 I163	I99-L121 HydrophobicContact CD1-CD2 3.82Å; W117-L121 WeakPolarHBondContact O-CB 3.38Å; W117-L121 PolarHBondContact O-N 3.13Å; E118-L121 WeakPolarHBondContact O-CB 3.3Å; E118-L121 PolarHBondContact O-N 3.29Å; R119-L121 VanDerWaalsContact C-N 3.34Å; L121-K123 VanDerWaalsContact C-N 3.3Å; L121-K123 PolarHBondContact O-N 3Å; L121-H124 PolarHBondContact O-N 2.92Å; L121-H124 VanDerWaalsContact O-N 3.11Å; L121-C125 WeakPolarHBondContact O-CB 3.27Å; L121-C125 PolarHBondContact O-N 3.11Å; L121-C125 PolarHBondContact O-SG 3.31Å; L121-A141 HydrophobicContact CD1-CB 4.31Å; L121-A141 WeakPolarHBondContact CD1-O 3.39Å; L121-L144 HydrophobicContact CD1-CB 4.46Å; L121-L144 HydrophobicContact CD1-CD2 3.58Å; L121-L145 HydrophobicContact CB-CD1 4.47Å; L121-L145 HydrophobicContact CD1-CB 4.25Å; L121-L145 HydrophobicContact CD2-CB 4.11Å; L121-L145 HydrophobicContact CD2-CD2 4.13Å; L121-I163 HydrophobicContact CD2-CD1 3.99Å
122	A	95.8	Very high	94.4	Very high	27 Å²	27	65.8 Å²	65.8	22%	0.223	31%	0.308	C	S	.	.	H	α-helix	trans	-57.3	-42.3	177.8	0	0	0	0	0	112.3	I99 E118 R119 V120 C125 R126	I99-A122 HydrophobicContact CG2-CB 3.79Å; E118-A122 WeakPolarHBondContact O-CB 3.16Å; E118-A122 PolarHBondContact O-N 3.31Å; R119-A122 WeakPolarHBondContact O-CB 3.33Å; R119-A122 PolarHBondContact O-N 3.49Å; V120-A122 VanDerWaalsContact C-N 3.35Å; V120-A122 PolarHBondContact O-N 2.91Å; A122-C125 PolarHBondContact O-N 3.23Å; A122-R126 WeakPolarHBondContact O-CB 3.47Å; A122-R126 PolarHBondContact O-N 3.06Å
123	K	95.8	Very high	94.6	Very high	117 Å²	117	71.7 Å²	71.7	51%	0.509	32%	0.321	S	S	.	.	H	α-helix	trans	-60	-48.3	173.4	174.9	-172.7	169.2	-168.9	0	111.7	E30 R119 V120 L121 R126 L127	E30-K123 IonicContact OE1-NZ 3.53Å; E30-K123 PolarHBondContact OE1-NZ 3.42Å; E30-K123 IonicContact OE2-NZ 3.67Å; R119-K123 PolarHBondContact O-N 3.18Å; R119-K123 VanDerWaalsContact O-N 3.1Å; V120-K123 WeakPolarHBondContact O-CB 3.45Å; V120-K123 PolarHBondContact O-N 2.93Å; L121-K123 VanDerWaalsContact C-N 3.3Å; L121-K123 PolarHBondContact O-N 3Å; K123-R126 PolarHBondContact O-N 3.46Å; K123-L127 WeakPolarHBondContact O-CB 3.36Å; K123-L127 PolarHBondContact O-N 2.92Å
124	H	94.3	Very high	94.8	Very high	47 Å²	47	74.4 Å²	74.4	22%	0.218	33%	0.332	C	S	.	.	H	α-helix	trans	-64.6	-42	178.7	-78	-69.9	0	0	0	112.3	E30 V120 L121 R126 L127 F128 L144	E30-H124 IonicContact OE2-CE1 2.71Å; E30-H124 IonicContact OE2-NE2 3.82Å; E30-H124 PolarHBondContact OE2-NE2 3.07Å; V120-H124 PolarHBondContact O-CD2 3.08Å; V120-H124 PolarHBondContact O-N 3.4Å; L121-H124 PolarHBondContact O-N 2.92Å; L121-H124 VanDerWaalsContact O-N 3.11Å; H124-R126 VanDerWaalsContact C-N 3.34Å; H124-R126 PolarHBondContact O-N 2.81Å; H124-L127 PolarHBondContact O-N 3.43Å; H124-F128 WeakPolarHBondContact O-CB 3.38Å; H124-F128 PolarHBondContact O-N 2.84Å; H124-L144 HydrophobicContact CB-CD1 3.97Å; H124-L144 HydrophobicContact CB-CD2 3.49Å; H124-L144 VanDerWaalsContact CB-CD2 3.49Å; H124-L144 HydrophobicContact CB-CG 4.41Å
125	C	95	Very high	94.7	Very high	3 Å²	3	79.7 Å²	79.7	2%	0.02	35%	0.352	C	S	.	.	H	α-helix	trans	-58.6	-45.2	174.2	-69.8	0	0	0	0	111.4	L121 A122 F128 E129 I136	L121-C125 WeakPolarHBondContact O-CB 3.27Å; L121-C125 PolarHBondContact O-N 3.11Å; L121-C125 PolarHBondContact O-SG 3.31Å; A122-C125 PolarHBondContact O-N 3.23Å; C125-F128 PolarHBondContact O-N 3.36Å; C125-E129 PolarHBondContact O-N 3.32Å; C125-I136 HydrophobicContact CB-CG2 3.94Å
126	R	95.5	Very high	94.8	Very high	131 Å²	131	76.3 Å²	76.3	49%	0.494	34%	0.336	S	S	.	.	H	α-helix	trans	-66.5	-41.1	178.1	-177.8	55.5	178.3	162	0.9	112.1	A122 K123 H124 F128 E129 L130	A122-R126 WeakPolarHBondContact O-CB 3.47Å; A122-R126 PolarHBondContact O-N 3.06Å; K123-R126 PolarHBondContact O-N 3.46Å; H124-R126 VanDerWaalsContact C-N 3.34Å; H124-R126 PolarHBondContact O-N 2.81Å; R126-F128 VanDerWaalsContact C-N 3.35Å; R126-E129 IonicContact CZ-OE2 3.87Å; R126-E129 VanDerWaalsContact NH1-CD 3.26Å; R126-E129 IonicContact NH1-OE1 3.46Å; R126-E129 IonicContact NH1-OE2 2.75Å; R126-E129 PolarHBondContact NH1-OE2 3.09Å; R126-E129 PolarHBondContact O-N 2.89Å; R126-L130 HydrophobicContact CG-CD1 4.4Å; R126-L130 WeakPolarHBondContact O-CG 3.43Å; R126-L130 PolarHBondContact O-N 2.83Å
127	L	96.2	Very high	94.9	Very high	59 Å²	59	73.1 Å²	73.1	31%	0.309	33%	0.326	S	S	.	.	H	α-helix	trans	-65	-39.7	177	-177	59.6	0	0	0	111.9	K123 H124 E129 L130 R131	K123-L127 WeakPolarHBondContact O-CB 3.36Å; K123-L127 PolarHBondContact O-N 2.92Å; H124-L127 PolarHBondContact O-N 3.43Å; L127-E129 VanDerWaalsContact C-N 3.34Å; L127-L130 PolarHBondContact O-N 2.86Å; L127-R131 HydrophobicContact CD1-CG 4.4Å; L127-R131 WeakPolarHBondContact O-CB 3.1Å; L127-R131 WeakPolarHBondContact O-CG 3.35Å; L127-R131 PolarHBondContact O-N 2.91Å
128	F	95.5	Very high	95.1	Very high	75 Å²	75	72.6 Å²	72.6	33%	0.329	32%	0.324	S	S	.	.	H	α-helix	trans	-58.7	-47.2	173.2	179.8	-82.4	0	0	0	111.1	H124 C125 R126 L130 R131 N132 I136	H124-F128 WeakPolarHBondContact O-CB 3.38Å; H124-F128 PolarHBondContact O-N 2.84Å; C125-F128 PolarHBondContact O-N 3.36Å; R126-F128 VanDerWaalsContact C-N 3.35Å; F128-L130 VanDerWaalsContact C-N 3.35Å; F128-L130 PolarHBondContact O-N 2.77Å; F128-R131 PolarHBondContact O-N 3.2Å; F128-N132 WeakPolarHBondContact CD2-ND2 3.47Å; F128-N132 HydrophobicContact CE1-CB 4.25Å; F128-N132 WeakPolarHBondContact CE2-ND2 3.2Å; F128-N132 WeakPolarHBondContact CG-ND2 3.32Å; F128-N132 HydrophobicContact CZ-CB 4.46Å; F128-N132 VanDerWaalsContact CZ-ND2 3.35Å; F128-N132 WeakPolarHBondContact CZ-ND2 3.49Å; F128-N132 WeakPolarHBondContact O-CB 3.3Å; F128-N132 PolarHBondContact O-N 3.05Å; F128-N132 PolarHBondContact O-ND2 2.91Å; F128-I136 HydrophobicContact CB-CD1 4.37Å; F128-I136 HydrophobicContact CD1-CB 3.7Å; F128-I136 HydrophobicContact CD1-CG1 4.05Å; F128-I136 HydrophobicContact CE1-CB 4.12Å; F128-I136 HydrophobicContact CE1-CG1 4.3Å; F128-I136 HydrophobicContact CG-CB 4.23Å; F128-I136 HydrophobicContact CG-CD1 4.22Å; F128-I136 HydrophobicContact CG-CG1 4.23Å
129	E	93.8	Very high	95.2	Very high	63 Å²	63	73.8 Å²	73.8	29%	0.294	33%	0.334	S	S	.	.	H	α-helix	trans	-61.1	-42.6	179.5	-171.2	-171.9	-174.6	0	0	112.2	C125 R126 L127 K133 E134	C125-E129 PolarHBondContact O-N 3.32Å; R126-E129 IonicContact CZ-OE2 3.87Å; R126-E129 VanDerWaalsContact NH1-CD 3.26Å; R126-E129 IonicContact NH1-OE1 3.46Å; R126-E129 IonicContact NH1-OE2 2.75Å; R126-E129 PolarHBondContact NH1-OE2 3.09Å; R126-E129 PolarHBondContact O-N 2.89Å; L127-E129 VanDerWaalsContact C-N 3.34Å; E129-K133 WeakPolarHBondContact O-CA 3.48Å; E129-K133 PolarHBondContact O-N 2.68Å; E129-E134 WeakPolarHBondContact CA-O 3.27Å
130	L	96.4	Very high	95.3	Very high	107 Å²	107	67.4 Å²	67.4	56%	0.56	32%	0.318	S	S	*	.	H	α-helix	trans	-66.3	-37.7	177.9	-69.9	173.3	0	0	0	112.9	R126 L127 F128	R126-L130 HydrophobicContact CG-CD1 4.4Å; R126-L130 WeakPolarHBondContact O-CG 3.43Å; R126-L130 PolarHBondContact O-N 2.83Å; L127-L130 PolarHBondContact O-N 2.86Å; F128-L130 VanDerWaalsContact C-N 3.35Å; F128-L130 PolarHBondContact O-N 2.77Å
131	R	97	Very high	95.4	Very high	183 Å²	183	67 Å²	67	69%	0.691	32%	0.315	S	S	*	.	H	α-helix	trans	-73.9	-42.3	-179.2	-74.7	173.8	173.5	170.3	-2.6	112.5	L127 F128	L127-R131 HydrophobicContact CD1-CG 4.4Å; L127-R131 WeakPolarHBondContact O-CB 3.1Å; L127-R131 WeakPolarHBondContact O-CG 3.35Å; L127-R131 PolarHBondContact O-N 2.91Å; F128-R131 PolarHBondContact O-N 3.2Å
132	N	95.6	Very high	95.5	Very high	87 Å²	87	67 Å²	67	47%	0.465	32%	0.315	S	S	.	.	H	α-helix	trans	-98	-9.2	-172.9	-59.8	-57.1	0	0	0	113.2	F128 E134	F128-N132 WeakPolarHBondContact CD2-ND2 3.47Å; F128-N132 HydrophobicContact CE1-CB 4.25Å; F128-N132 WeakPolarHBondContact CE2-ND2 3.2Å; F128-N132 WeakPolarHBondContact CG-ND2 3.32Å; F128-N132 HydrophobicContact CZ-CB 4.46Å; F128-N132 VanDerWaalsContact CZ-ND2 3.35Å; F128-N132 WeakPolarHBondContact CZ-ND2 3.49Å; F128-N132 WeakPolarHBondContact O-CB 3.3Å; F128-N132 PolarHBondContact O-N 3.05Å; F128-N132 PolarHBondContact O-ND2 2.91Å; N132-E134 PolarHBondContact O-N 3.13Å; N132-E134 VanDerWaalsContact O-N 3.09Å
133	K	94.2	Very high	95.5	Very high	197 Å²	197	70.6 Å²	70.6	86%	0.857	33%	0.326	S	S	*	.	S	Bend	trans	54.3	22.7	-171.8	-56.4	178.2	179.5	177.8	0	112.9	E129	E129-K133 WeakPolarHBondContact O-CA 3.48Å; E129-K133 PolarHBondContact O-N 2.68Å
134	E	93.5	Very high	95.5	Very high	91 Å²	91	67.5 Å²	67.5	43%	0.425	32%	0.315	S	S	.	.	S	Bend	trans	-135.5	140.9	-179.2	-168.7	-174.5	172.4	0	0	108.7	E129 N132 K168	E129-E134 WeakPolarHBondContact CA-O 3.27Å; N132-E134 PolarHBondContact O-N 3.13Å; N132-E134 VanDerWaalsContact O-N 3.09Å; E134-K168 IonicContact OE1-NZ 3.68Å; E134-K168 PolarHBondContact OE1-NZ 3.12Å; E134-K168 IonicContact OE2-NZ 3.01Å
135	R	91.6	Very high	95.6	Very high	112 Å²	112	65.4 Å²	65.4	42%	0.423	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-62.2	143.4	175.5	-64.2	178.1	-68.3	165.7	-0.6	110.4
136	I	95.1	Very high	95.6	Very high	14 Å²	14	65.3 Å²	65.3	7%	0.072	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-67.3	141.5	173.5	-164.5	168.7	0	0	0	110.4	L103 C125 F128 A140 A141	L103-I136 HydrophobicContact CD1-CG2 3.8Å; C125-I136 HydrophobicContact CB-CG2 3.94Å; F128-I136 HydrophobicContact CB-CD1 4.37Å; F128-I136 HydrophobicContact CD1-CB 3.7Å; F128-I136 HydrophobicContact CD1-CG1 4.05Å; F128-I136 HydrophobicContact CE1-CB 4.12Å; F128-I136 HydrophobicContact CE1-CG1 4.3Å; F128-I136 HydrophobicContact CG-CB 4.23Å; F128-I136 HydrophobicContact CG-CD1 4.22Å; F128-I136 HydrophobicContact CG-CG1 4.23Å; I136-A140 HydrophobicContact CD1-CB 4.16Å; I136-A140 HydrophobicContact CG1-CB 3.74Å; I136-A141 HydrophobicContact CD1-CB 4.07Å; I136-A141 HydrophobicContact CG1-CB 4.37Å; I136-A141 HydrophobicContact CG2-CB 4.25Å
137	S	96.3	Very high	95.5	Very high	31 Å²	31	62.7 Å²	62.7	22%	0.217	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-72.9	152.5	171.2	65	0	0	0	0	110.8	A139 A140 A141 D167	S137-A139 PolarHBondContact O-N 3.35Å; S137-A140 PolarHBondContact O-N 3.41Å; S137-A140 VanDerWaalsContact O-N 3.1Å; S137-A140 WeakPolarHBondContact OG-CB 3.29Å; S137-A140 PolarHBondContact OG-N 2.85Å; S137-A140 VanDerWaalsContact OG-N 3.08Å; S137-A141 PolarHBondContact O-N 2.79Å; S137-D167 VanDerWaalsContact CA-OD2 3.27Å; S137-D167 WeakPolarHBondContact CA-OD2 3.48Å; S137-D167 WeakPolarHBondContact CB-OD2 3.25Å
138	V	97.2	Very high	95.2	Very high	1 Å²	1	61 Å²	61	1%	0.006	29%	0.292	C	S	.	.	H	α-helix	trans	-61.2	-36.3	176	-165.5	0	0	0	0	110	L103 S142 I163 G165 D167 Y174	L103-V138 HydrophobicContact CD2-CB 4.24Å; L103-V138 HydrophobicContact CD2-CG1 3.95Å; L103-V138 HydrophobicContact CD2-CG2 4.04Å; V138-S142 WeakPolarHBondContact O-CB 3.15Å; V138-S142 PolarHBondContact O-N 2.82Å; V138-S142 PolarHBondContact O-OG 2.77Å; V138-I163 HydrophobicContact CG1-CG2 4.11Å; V138-G165 VanDerWaalsContact CG2-C 3.41Å; V138-D167 HydrophobicContact CG2-CB 4.21Å; V138-D167 PolarHBondContact N-OD2 3.07Å; V138-Y174 HydrophobicContact CB-CD2 4.38Å; V138-Y174 HydrophobicContact CB-CE2 4.17Å; V138-Y174 HydrophobicContact CG1-CD2 3.78Å; V138-Y174 HydrophobicContact CG1-CE2 4.07Å
139	A	96.7	Very high	95	Very high	26 Å²	26	57.5 Å²	57.5	22%	0.215	28%	0.276	C	S	.	.	H	α-helix	trans	-62.1	-41.8	175.5	0	0	0	0	0	112.6	S137 S142 K143 Y174 R182	S137-A139 PolarHBondContact O-N 3.35Å; A139-S142 PolarHBondContact O-OG 2.89Å; A139-K143 WeakPolarHBondContact O-CB 3.46Å; A139-K143 PolarHBondContact O-N 3.23Å; A139-K143 VanDerWaalsContact O-N 3.13Å; A139-Y174 HydrophobicContact CB-CE2 4.23Å; A139-Y174 WeakPolarHBondContact CB-OH 3.46Å; A139-R182 PolarHBondContact O-NH2 2.89Å; A139-R182 VanDerWaalsContact O-NH2 3.13Å
140	A	96.2	Very high	94.8	Very high	36 Å²	36	61.2 Å²	61.2	30%	0.298	29%	0.288	S	S	.	.	H	α-helix	trans	-73.9	-41.9	178.8	0	0	0	0	0	111.9	I136 S137 K143 L144	I136-A140 HydrophobicContact CD1-CB 4.16Å; I136-A140 HydrophobicContact CG1-CB 3.74Å; S137-A140 PolarHBondContact O-N 3.41Å; S137-A140 VanDerWaalsContact O-N 3.1Å; S137-A140 WeakPolarHBondContact OG-CB 3.29Å; S137-A140 PolarHBondContact OG-N 2.85Å; S137-A140 VanDerWaalsContact OG-N 3.08Å; A140-K143 PolarHBondContact O-N 2.98Å; A140-L144 WeakPolarHBondContact O-CB 3.26Å; A140-L144 PolarHBondContact O-N 2.89Å
141	A	97.1	Very high	94.4	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-59.7	-49.3	176.4	0	0	0	0	0	111.5	L103 L121 I136 S137 K143 L144 L145	L103-A141 HydrophobicContact CD1-CB 3.76Å; L103-A141 HydrophobicContact CD2-CB 4.43Å; L121-A141 HydrophobicContact CD1-CB 4.31Å; L121-A141 WeakPolarHBondContact CD1-O 3.39Å; I136-A141 HydrophobicContact CD1-CB 4.07Å; I136-A141 HydrophobicContact CG1-CB 4.37Å; I136-A141 HydrophobicContact CG2-CB 4.25Å; S137-A141 PolarHBondContact O-N 2.79Å; A141-K143 VanDerWaalsContact C-N 3.32Å; A141-K143 PolarHBondContact O-N 3.37Å; A141-L144 PolarHBondContact O-N 3.22Å; A141-L145 PolarHBondContact O-N 3.4Å
142	S	96.8	Very high	93.8	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.2	-37	176.2	54.3	0	0	0	0	112.8	V138 A139 A146 Y174 R182	V138-S142 WeakPolarHBondContact O-CB 3.15Å; V138-S142 PolarHBondContact O-N 2.82Å; V138-S142 PolarHBondContact O-OG 2.77Å; A139-S142 PolarHBondContact O-OG 2.89Å; S142-A146 WeakPolarHBondContact O-CB 3.31Å; S142-A146 PolarHBondContact O-N 2.87Å; S142-Y174 VanDerWaalsContact CB-CB 3.47Å; S142-R182 PolarHBondContact OG-NE 2.82Å
143	K	96.6	Very high	93.2	Very high	103 Å²	103	53.2 Å²	53.2	45%	0.448	25%	0.252	S	S	.	.	H	α-helix	trans	-69.4	-38.4	176.8	-175.2	57.4	175.4	162.1	0	112.3	A139 A140 A141 A146 N147	A139-K143 WeakPolarHBondContact O-CB 3.46Å; A139-K143 PolarHBondContact O-N 3.23Å; A139-K143 VanDerWaalsContact O-N 3.13Å; A140-K143 PolarHBondContact O-N 2.98Å; A141-K143 VanDerWaalsContact C-N 3.32Å; A141-K143 PolarHBondContact O-N 3.37Å; K143-A146 PolarHBondContact O-N 2.62Å; K143-N147 VanDerWaalsContact CE-OD1 3.25Å; K143-N147 WeakPolarHBondContact CE-OD1 3.38Å; K143-N147 PolarHBondContact NZ-OD1 3.19Å; K143-N147 WeakPolarHBondContact O-CB 3.01Å; K143-N147 PolarHBondContact O-N 3.04Å; K143-N147 PolarHBondContact O-OD1 2.77Å
144	L	95.8	Very high	92.6	Very high	52 Å²	52	46.2 Å²	46.2	27%	0.272	24%	0.236	S	C	.	.	H	α-helix	trans	-62.6	-46.3	175.4	-175.4	136.5	0	0	0	110.8	L121 H124 A140 A141 N147 I148	L121-L144 HydrophobicContact CD1-CB 4.46Å; L121-L144 HydrophobicContact CD1-CD2 3.58Å; H124-L144 HydrophobicContact CB-CD1 3.97Å; H124-L144 HydrophobicContact CB-CD2 3.49Å; H124-L144 VanDerWaalsContact CB-CD2 3.49Å; H124-L144 HydrophobicContact CB-CG 4.41Å; A140-L144 WeakPolarHBondContact O-CB 3.26Å; A140-L144 PolarHBondContact O-N 2.89Å; A141-L144 PolarHBondContact O-N 3.22Å; L144-N147 PolarHBondContact O-N 2.96Å; L144-I148 HydrophobicContact CD2-CD1 3.54Å; L144-I148 HydrophobicContact CG-CD1 4.21Å; L144-I148 VanDerWaalsContact O-CG1 3.29Å; L144-I148 WeakPolarHBondContact O-CG1 3.17Å; L144-I148 PolarHBondContact O-N 2.84Å
145	L	95.3	Very high	92	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-60.5	-49.1	175.1	-177.7	63	0	0	0	112.1	W117 L121 A141 N147 I148 V149 T161 I163 V176	W117-L145 HydrophobicContact CB-CD1 4.08Å; L121-L145 HydrophobicContact CB-CD1 4.47Å; L121-L145 HydrophobicContact CD1-CB 4.25Å; L121-L145 HydrophobicContact CD2-CB 4.11Å; L121-L145 HydrophobicContact CD2-CD2 4.13Å; A141-L145 PolarHBondContact O-N 3.4Å; L145-N147 VanDerWaalsContact C-N 3.31Å; L145-N147 PolarHBondContact O-N 2.95Å; L145-I148 WeakPolarHBondContact O-CB 3.18Å; L145-I148 PolarHBondContact O-N 2.89Å; L145-I148 VanDerWaalsContact O-N 3.11Å; L145-V149 HydrophobicContact CD1-CG2 4.06Å; L145-V149 HydrophobicContact CG-CG2 4.31Å; L145-V149 WeakPolarHBondContact O-CG2 3.47Å; L145-V149 PolarHBondContact O-N 2.81Å; L145-T161 HydrophobicContact CD2-CG2 3.54Å; L145-I163 HydrophobicContact CD2-CD1 3.87Å; L145-I163 HydrophobicContact CD2-CG1 4.01Å; L145-V176 HydrophobicContact CD2-CB 4.33Å; L145-V176 HydrophobicContact CD2-CG1 4.41Å; L145-V176 HydrophobicContact CD2-CG2 4.42Å; L145-V176 HydrophobicContact CG-CG1 4.33Å
146	A	95.2	Very high	91.4	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.008	22%	0.215	C	C	.	.	H	α-helix	trans	-57.9	-43.2	179.4	0	0	0	0	0	112.1	S142 K143 V149 Y150 V176 R182	S142-A146 WeakPolarHBondContact O-CB 3.31Å; S142-A146 PolarHBondContact O-N 2.87Å; K143-A146 PolarHBondContact O-N 2.62Å; A146-V149 PolarHBondContact O-N 2.93Å; A146-Y150 VanDerWaalsContact O-CB 3.23Å; A146-Y150 WeakPolarHBondContact O-CB 3.49Å; A146-Y150 PolarHBondContact O-N 3.16Å; A146-V176 HydrophobicContact CB-CG1 4.03Å; A146-V176 HydrophobicContact CB-CG2 4.38Å; A146-R182 HydrophobicContact CB-CB 3.91Å
147	N	93.6	Very high	90.9	Very high	77 Å²	77	40.4 Å²	40.4	41%	0.412	22%	0.218	S	C	.	.	H	α-helix	trans	-66.2	-37.6	176.8	-71.2	-6.1	0	0	0	112.3	K143 L144 L145 N151	K143-N147 VanDerWaalsContact CE-OD1 3.25Å; K143-N147 WeakPolarHBondContact CE-OD1 3.38Å; K143-N147 PolarHBondContact NZ-OD1 3.19Å; K143-N147 WeakPolarHBondContact O-CB 3.01Å; K143-N147 PolarHBondContact O-N 3.04Å; K143-N147 PolarHBondContact O-OD1 2.77Å; L144-N147 PolarHBondContact O-N 2.96Å; L145-N147 VanDerWaalsContact C-N 3.31Å; L145-N147 PolarHBondContact O-N 2.95Å; N147-N151 PolarHBondContact O-ND2 3.07Å
148	I	90.8	Very high	90.6	Very high	24 Å²	24	39.5 Å²	39.5	12%	0.123	21%	0.212	C	C	.	.	H	α-helix	trans	-63.2	-53.5	175	-71.6	168.9	0	0	0	109.7	W117 V120 L144 L145 Y150 N151 Y152	W117-I148 HydrophobicContact CD2-CG2 4.21Å; W117-I148 HydrophobicContact CE3-CG2 3.35Å; W117-I148 HydrophobicContact CH2-CG2 3.78Å; W117-I148 HydrophobicContact CZ3-CG2 3.12Å; V120-I148 HydrophobicContact CG1-CD1 4.27Å; L144-I148 HydrophobicContact CD2-CD1 3.54Å; L144-I148 HydrophobicContact CG-CD1 4.21Å; L144-I148 VanDerWaalsContact O-CG1 3.29Å; L144-I148 WeakPolarHBondContact O-CG1 3.17Å; L144-I148 PolarHBondContact O-N 2.84Å; L145-I148 WeakPolarHBondContact O-CB 3.18Å; L145-I148 PolarHBondContact O-N 2.89Å; L145-I148 VanDerWaalsContact O-N 3.11Å; I148-Y150 VanDerWaalsContact C-N 3.29Å; I148-Y150 PolarHBondContact O-N 3.29Å; I148-N151 WeakPolarHBondContact O-CB 3.36Å; I148-N151 PolarHBondContact O-N 3.12Å; I148-N151 VanDerWaalsContact O-N 3.13Å; I148-Y152 WeakPolarHBondContact O-CD2 3.22Å
149	V	90.3	Very high	90.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.8	-38.7	-178.6	174.2	0	0	0	0	111.5	L145 A146 N151 Y152 K153 L157 I159 D177 T178	L145-V149 HydrophobicContact CD1-CG2 4.06Å; L145-V149 HydrophobicContact CG-CG2 4.31Å; L145-V149 WeakPolarHBondContact O-CG2 3.47Å; L145-V149 PolarHBondContact O-N 2.81Å; A146-V149 PolarHBondContact O-N 2.93Å; V149-N151 PolarHBondContact O-N 2.92Å; V149-Y152 CarbonylContact O-C 3.53Å; V149-Y152 WeakPolarHBondContact O-CA 3.45Å; V149-Y152 PolarHBondContact O-N 2.97Å; V149-K153 PolarHBondContact O-N 3.21Å; V149-L157 HydrophobicContact CG1-CD1 4.16Å; V149-I159 HydrophobicContact CG1-CD1 4.26Å; V149-I159 HydrophobicContact CG2-CD1 3.8Å; V149-D177 WeakPolarHBondContact CG1-O 3.46Å; V149-T178 VanDerWaalsContact CG1-O 3.3Å; V149-T178 WeakPolarHBondContact CG1-O 3.25Å
150	Y	90.4	Very high	90.1	Very high	142 Å²	142	38.8 Å²	38.8	56%	0.557	21%	0.206	S	C	*	.	H	α-helix	trans	-56.7	-33.9	176.8	-174.1	-97.1	0	0	0	113.3	A146 I148 Y152 K153 D179	A146-Y150 VanDerWaalsContact O-CB 3.23Å; A146-Y150 WeakPolarHBondContact O-CB 3.49Å; A146-Y150 PolarHBondContact O-N 3.16Å; I148-Y150 VanDerWaalsContact C-N 3.29Å; I148-Y150 PolarHBondContact O-N 3.29Å; Y150-Y152 PolarHBondContact O-N 3.44Å; Y150-K153 HydrophobicContact CD2-CD 4.45Å; Y150-K153 HydrophobicContact CE2-CD 4.23Å; Y150-K153 VanDerWaalsContact O-CB 3.23Å; Y150-K153 WeakPolarHBondContact O-CB 3.12Å; Y150-K153 PolarHBondContact O-N 3.27Å; Y150-K153 VanDerWaalsContact O-N 3.14Å; Y150-D179 WeakPolarHBondContact CD2-O 3.45Å
151	N	87.1	Confident	90.1	Very high	69 Å²	69	37.1 Å²	37.1	37%	0.369	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-17.6	177	-67.7	-51.9	0	0	0	113.5	N147 I148 V149 M155	N147-N151 PolarHBondContact O-ND2 3.07Å; I148-N151 WeakPolarHBondContact O-CB 3.36Å; I148-N151 PolarHBondContact O-N 3.12Å; I148-N151 VanDerWaalsContact O-N 3.13Å; V149-N151 PolarHBondContact O-N 2.92Å; N151-M155 WeakPolarHBondContact O-CE 3.2Å
152	Y	84	Confident	90.1	Very high	43 Å²	43	37.1 Å²	37.1	17%	0.169	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	13	178.2	-64.2	-88.8	0	0	0	112.2	E30 W117 I148 V149 Y150 G154 M155 L157	E30-Y152 PolarHBondContact O-OH 2.9Å; E30-Y152 VanDerWaalsContact O-OH 3.06Å; W117-Y152 AromaticContact CH2-CD2 3.84Å; W117-Y152 HydrophobicContact CH2-CD2 3.84Å; W117-Y152 HydrophobicContact CH2-CE1 4.46Å; W117-Y152 AromaticContact CH2-CE2 3.19Å; W117-Y152 HydrophobicContact CH2-CE2 3.19Å; W117-Y152 AromaticContact CH2-CZ 3.56Å; W117-Y152 HydrophobicContact CZ2-CD1 4.46Å; W117-Y152 AromaticContact CZ2-CD2 3.65Å; W117-Y152 HydrophobicContact CZ2-CD2 3.65Å; W117-Y152 HydrophobicContact CZ2-CE1 4.29Å; W117-Y152 AromaticContact CZ2-CE2 3.46Å; W117-Y152 HydrophobicContact CZ2-CE2 3.46Å; W117-Y152 VanDerWaalsContact CZ2-CE2 3.46Å; W117-Y152 HydrophobicContact CZ2-CG 4.17Å; W117-Y152 AromaticContact CZ2-CZ 3.79Å; W117-Y152 HydrophobicContact CZ3-CE2 4.25Å; I148-Y152 WeakPolarHBondContact O-CD2 3.22Å; V149-Y152 CarbonylContact O-C 3.53Å; V149-Y152 WeakPolarHBondContact O-CA 3.45Å; V149-Y152 PolarHBondContact O-N 2.97Å; Y150-Y152 PolarHBondContact O-N 3.44Å; Y152-G154 PolarHBondContact O-N 3.13Å; Y152-M155 HydrophobicContact CD1-SD 3.96Å; Y152-M155 VanDerWaalsContact O-CB 3.29Å; Y152-M155 WeakPolarHBondContact O-CB 3.42Å; Y152-M155 WeakPolarHBondContact O-CG 3.16Å; Y152-M155 PolarHBondContact O-N 2.77Å; Y152-L157 HydrophobicContact CG-CD1 4.1Å
153	K	84	Confident	90.2	Very high	97 Å²	97	37.1 Å²	37.1	42%	0.422	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	132.8	177.9	-178.9	173.8	-177.7	168.6	0	110.5	V149 Y150 M155 D179	V149-K153 PolarHBondContact O-N 3.21Å; Y150-K153 HydrophobicContact CD2-CD 4.45Å; Y150-K153 HydrophobicContact CE2-CD 4.23Å; Y150-K153 VanDerWaalsContact O-CB 3.23Å; Y150-K153 WeakPolarHBondContact O-CB 3.12Å; Y150-K153 PolarHBondContact O-N 3.27Å; Y150-K153 VanDerWaalsContact O-N 3.14Å; K153-M155 PolarHBondContact O-N 3.11Å; K153-D179 HydrophobicContact CD-CB 4.32Å; K153-D179 WeakPolarHBondContact CE-OD1 3.33Å
154	G	80.5	Confident	90.3	Very high	49 Å²	49	32.2 Å²	32.2	51%	0.505	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	-2.1	-179	0	0	0	0	0	115.1	Y152 G156	Y152-G154 PolarHBondContact O-N 3.13Å; G154-G156 VanDerWaalsContact C-N 3.26Å; G154-G156 PolarHBondContact O-N 3.48Å
155	M	80.7	Confident	90.3	Very high	54 Å²	54	29.8 Å²	29.8	27%	0.266	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	13.3	178.5	-54.7	-177.1	-169.5	0	0	113.2	S36 N151 Y152 K153	S36-M155 WeakPolarHBondContact CB-SD 3.33Å; S36-M155 WeakPolarHBondContact OG-CE 3.43Å; N151-M155 WeakPolarHBondContact O-CE 3.2Å; Y152-M155 HydrophobicContact CD1-SD 3.96Å; Y152-M155 VanDerWaalsContact O-CB 3.29Å; Y152-M155 WeakPolarHBondContact O-CB 3.42Å; Y152-M155 WeakPolarHBondContact O-CG 3.16Å; Y152-M155 PolarHBondContact O-N 2.77Å; K153-M155 PolarHBondContact O-N 3.11Å
156	G	80.3	Confident	90.4	Very high	14 Å²	14	32 Å²	32	14%	0.144	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	21.2	175	0	0	0	0	0	115.6	I50 F59 G154	I50-G156 WeakPolarHBondContact CD1-O 3.43Å; F59-G156 VanDerWaalsContact CE2-O 3.3Å; F59-G156 WeakPolarHBondContact CE2-O 3.32Å; G154-G156 VanDerWaalsContact C-N 3.26Å; G154-G156 PolarHBondContact O-N 3.48Å
157	L	84.6	Confident	90.4	Very high	27 Å²	27	32.9 Å²	32.9	14%	0.141	17%	0.171	C	C	.	.			trans	-58.6	148.5	165.9	-68.7	-175.2	0	0	0	110.4	V149 Y152 I159 T178	V149-L157 HydrophobicContact CG1-CD1 4.16Å; Y152-L157 HydrophobicContact CG-CD1 4.1Å; L157-I159 HydrophobicContact CB-CD1 4.35Å; L157-I159 HydrophobicContact CD1-CD1 4Å; L157-T178 HydrophobicContact CB-CG2 4.24Å; L157-T178 WeakPolarHBondContact O-CG2 3.37Å
158	S	88.9	Confident	90.3	Very high	12 Å²	12	36.4 Å²	36.4	8%	0.084	18%	0.182	C	C	.	.			trans	-128.1	90.4	171.8	179.3	0	0	0	0	109.1	H61 G109 G110 D113	H61-S158 PolarHBondContact CD2-OG 2.9Å; H61-S158 PolarHBondContact NE2-OG 3.36Å; G109-S158 WeakPolarHBondContact CA-OG 3.29Å; G110-S158 PolarHBondContact N-O 2.79Å; G110-S158 PolarHBondContact N-OG 2.95Å; D113-S158 PolarHBondContact OD2-N 2.86Å
159	I	91.5	Very high	90.4	Very high	7 Å²	7	41.4 Å²	41.4	4%	0.036	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	130	-176.5	-57.6	171.2	0	0	0	109.9	D113 W117 V149 L157 T161 D177 T178	D113-I159 HydrophobicContact CB-CD1 4.33Å; D113-I159 HydrophobicContact CB-CG1 3.8Å; W117-I159 HydrophobicContact CB-CD1 4.34Å; W117-I159 HydrophobicContact CG-CD1 3.98Å; V149-I159 HydrophobicContact CG1-CD1 4.26Å; V149-I159 HydrophobicContact CG2-CD1 3.8Å; L157-I159 HydrophobicContact CB-CD1 4.35Å; L157-I159 HydrophobicContact CD1-CD1 4Å; I159-T161 HydrophobicContact CG2-CG2 3.79Å; I159-D177 CarbonylContact O-C 3.54Å; I159-T178 PolarHBondContact N-OG1 2.91Å; I159-T178 PolarHBondContact O-N 2.85Å; I159-T178 PolarHBondContact O-OG1 2.77Å
160	G	92.7	Very high	90.5	Very high	6 Å²	6	42.4 Å²	42.4	6%	0.062	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	87.6	163.4	0	0	0	0	0	107.9	A108	A108-G160 WeakPolarHBondContact CA-O 3.17Å; A108-G160 WeakPolarHBondContact CB-O 3.44Å; A108-G160 PolarHBondContact N-O 2.76Å; A108-G160 VanDerWaalsContact N-O 3.13Å; A108-G160 CarbonylContact O-C 3.58Å; A108-G160 WeakPolarHBondContact O-CA 3.39Å; A108-G160 PolarHBondContact O-N 2.97Å
161	T	95.6	Very high	90.8	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	139.6	-175.8	-178.7	0	0	0	0	111.6	T106 E118 L145 I159 I163 Y175 V176	T106-T161 PolarHBondContact N-OG1 3.33Å; T106-T161 WeakPolarHBondContact O-CA 3.49Å; T106-T161 WeakPolarHBondContact O-CB 3.48Å; T106-T161 PolarHBondContact O-OG1 3.35Å; E118-T161 WeakPolarHBondContact OE1-CB 3.15Å; E118-T161 PolarHBondContact OE1-OG1 2.99Å; L145-T161 HydrophobicContact CD2-CG2 3.54Å; I159-T161 HydrophobicContact CG2-CG2 3.79Å; T161-I163 HydrophobicContact CG2-CD1 4.35Å; T161-Y175 WeakPolarHBondContact O-CD2 3.45Å; T161-V176 HydrophobicContact CG2-CB 4.21Å; T161-V176 PolarHBondContact N-O 2.9Å; T161-V176 PolarHBondContact O-N 2.88Å
162	T	97.8	Very high	91.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	114	174.5	-53.1	0	0	0	0	107.8	A67 G105 T106 V164 I173 Y174 F188	A67-T162 HydrophobicContact CB-CG2 3.95Å; G105-T162 WeakPolarHBondContact CA-O 3.46Å; T106-T162 PolarHBondContact N-O 3.38Å; T106-T162 VanDerWaalsContact OG1-CB 3.32Å; T106-T162 WeakPolarHBondContact OG1-CB 3.43Å; T106-T162 PolarHBondContact OG1-N 3.08Å; T106-T162 PolarHBondContact OG1-OG1 3.27Å; T162-V164 HydrophobicContact CG2-CG2 4.08Å; T162-I173 HydrophobicContact CG2-CG2 3.33Å; T162-Y174 CarbonylContact C-O 3.5Å; T162-Y174 WeakPolarHBondContact CA-O 3.32Å; T162-F188 HydrophobicContact CG2-CB 4.41Å; T162-F188 HydrophobicContact CG2-CD2 4.4Å
163	I	98.2	Very high	91.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	118.6	175.9	-55.2	-55.6	0	0	0	108.5	I99 L103 L121 V138 L145 T161 I173 Y174	I99-I163 HydrophobicContact CD1-CD1 3.91Å; L103-I163 HydrophobicContact CD2-CG2 4.17Å; L121-I163 HydrophobicContact CD2-CD1 3.99Å; V138-I163 HydrophobicContact CG1-CG2 4.11Å; L145-I163 HydrophobicContact CD2-CD1 3.87Å; L145-I163 HydrophobicContact CD2-CG1 4.01Å; T161-I163 HydrophobicContact CG2-CD1 4.35Å; I163-I173 WeakPolarHBondContact O-CA 3.1Å; I163-Y174 PolarHBondContact N-O 3.34Å; I163-Y174 PolarHBondContact O-N 3.13Å
164	V	98.4	Very high	92.6	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	136.5	-178.8	175.4	0	0	0	0	108.8	A67 V74 V76 L103 L104 T162 G172 I173 M241	A67-V164 HydrophobicContact CB-CG2 3.69Å; V74-V164 HydrophobicContact CB-CG1 3.79Å; V74-V164 HydrophobicContact CG1-CG1 3.4Å; V74-V164 VanDerWaalsContact CG1-CG1 3.4Å; V74-V164 HydrophobicContact CG1-CG2 4.3Å; V74-V164 HydrophobicContact CG2-CG1 4.35Å; V76-V164 HydrophobicContact CG2-CB 3.93Å; V76-V164 HydrophobicContact CG2-CG1 3.75Å; V76-V164 HydrophobicContact CG2-CG2 3.76Å; L103-V164 CarbonylContact C-O 3.42Å; L103-V164 WeakPolarHBondContact CA-O 3.4Å; L104-V164 HydrophobicContact CB-CB 4.49Å; L104-V164 PolarHBondContact N-O 2.77Å; L104-V164 PolarHBondContact O-N 3.25Å; T162-V164 HydrophobicContact CG2-CG2 4.08Å; V164-G172 WeakPolarHBondContact CA-O 3.32Å; V164-I173 HydrophobicContact CG2-CG1 4.33Å; V164-I173 HydrophobicContact CG2-CG2 3.97Å; V164-M241 HydrophobicContact CG1-CB 4.04Å; V164-M241 HydrophobicContact CG1-CG 4.24Å
165	G	97.5	Very high	93.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	-179.7	174.6	0	0	0	0	0	115	Y102 V138 S171 G172	Y102-G165 CarbonylContact O-C 3.53Å; Y102-G165 WeakPolarHBondContact O-CA 3.49Å; V138-G165 VanDerWaalsContact CG2-C 3.41Å; G165-S171 CarbonylContact O-C 3.44Å; G165-S171 VanDerWaalsContact O-CA 3.31Å; G165-S171 WeakPolarHBondContact O-CA 3.47Å; G165-G172 PolarHBondContact N-O 3.4Å; G165-G172 PolarHBondContact O-N 2.76Å
166	W	97.4	Very high	94.2	Very high	50 Å²	50	26.6 Å²	26.6	19%	0.189	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	123.7	170.7	-162.7	-69.9	0	0	0	110.3	Y102 M241 K242 E243	Y102-W166 PolarHBondContact O-N 2.96Å; Y102-W166 VanDerWaalsContact O-N 3.12Å; W166-M241 HydrophobicContact CB-CG 4.21Å; W166-M241 HydrophobicContact CB-SD 4.18Å; W166-K242 WeakPolarHBondContact CB-O 3.48Å; W166-K242 VanDerWaalsContact CE3-C 3.42Å; W166-E243 VanDerWaalsContact CD2-CA 3.44Å; W166-E243 HydrophobicContact CD2-CB 4.07Å; W166-E243 VanDerWaalsContact CE2-CA 3.48Å; W166-E243 HydrophobicContact CH2-CB 4.29Å; W166-E243 HydrophobicContact CZ2-CB 3.71Å; W166-E243 HydrophobicContact CZ2-CG 4.21Å
167	D	94.5	Very high	94.8	Very high	19 Å²	19	27.4 Å²	27.4	10%	0.102	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	-169.4	175.7	68	33.5	0	0	0	111.3	S137 V138 N169 G170	S137-D167 VanDerWaalsContact CA-OD2 3.27Å; S137-D167 WeakPolarHBondContact CA-OD2 3.48Å; S137-D167 WeakPolarHBondContact CB-OD2 3.25Å; V138-D167 HydrophobicContact CG2-CB 4.21Å; V138-D167 PolarHBondContact N-OD2 3.07Å; D167-N169 PolarHBondContact O-N 2.68Å; D167-N169 WeakPolarHBondContact OD1-CA 3.33Å; D167-N169 VanDerWaalsContact OD1-CB 3.29Å; D167-N169 WeakPolarHBondContact OD1-CB 3.47Å; D167-N169 PolarHBondContact OD1-N 3.42Å; D167-G170 PolarHBondContact N-O 3.02Å; D167-G170 PolarHBondContact O-N 2.91Å
168	K	91.6	Very high	95.1	Very high	150 Å²	150	28.1 Å²	28.1	65%	0.652	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-20.3	179.7	61.2	-175.2	173.2	-166.4	0	114.5	E134 G170	E134-K168 IonicContact OE1-NZ 3.68Å; E134-K168 PolarHBondContact OE1-NZ 3.12Å; E134-K168 IonicContact OE2-NZ 3.01Å; K168-G170 VanDerWaalsContact C-N 3.31Å
169	N	91.6	Very high	95.2	Very high	130 Å²	130	30.6 Å²	30.6	70%	0.695	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.7	6.4	175.7	-53.1	-37.5	0	0	0	111.8	D167	D167-N169 PolarHBondContact O-N 2.68Å; D167-N169 WeakPolarHBondContact OD1-CA 3.33Å; D167-N169 VanDerWaalsContact OD1-CB 3.29Å; D167-N169 WeakPolarHBondContact OD1-CB 3.47Å; D167-N169 PolarHBondContact OD1-N 3.42Å
170	G	93.7	Very high	95.2	Very high	20 Å²	20	30.8 Å²	30.8	21%	0.206	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	94.4	-156.8	-176.8	0	0	0	0	0	112.9	D167 K168	D167-G170 PolarHBondContact N-O 3.02Å; D167-G170 PolarHBondContact O-N 2.91Å; K168-G170 VanDerWaalsContact C-N 3.31Å
171	S	95.3	Very high	95.3	Very high	13 Å²	13	34.4 Å²	34.4	9%	0.091	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	141.6	178.9	61.4	0	0	0	0	112.8	K69 G165	K69-S171 WeakPolarHBondContact CD-OG 3.37Å; K69-S171 WeakPolarHBondContact CE-OG 3.18Å; K69-S171 PolarHBondContact NZ-O 3.04Å; G165-S171 CarbonylContact O-C 3.44Å; G165-S171 VanDerWaalsContact O-CA 3.31Å; G165-S171 WeakPolarHBondContact O-CA 3.47Å
172	G	96.4	Very high	95.3	Very high	12 Å²	12	37.9 Å²	37.9	12%	0.124	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	143.6	178.5	0	0	0	0	0	112.1	V164 G165	V164-G172 WeakPolarHBondContact CA-O 3.32Å; G165-G172 PolarHBondContact N-O 3.4Å; G165-G172 PolarHBondContact O-N 2.76Å
173	I	98.3	Very high	95.3	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.015	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	128.7	172.8	-48.1	176.4	0	0	0	108.6	A67 K69 V74 T162 I163 V164 G185 F188	A67-I173 HydrophobicContact CB-CD1 4.05Å; A67-I173 HydrophobicContact CB-CG2 3.96Å; K69-I173 HydrophobicContact CB-CD1 3.81Å; K69-I173 HydrophobicContact CB-CG1 4.5Å; V74-I173 HydrophobicContact CB-CD1 4.48Å; V74-I173 HydrophobicContact CG1-CD1 3.57Å; V74-I173 HydrophobicContact CG1-CG1 3.87Å; V74-I173 HydrophobicContact CG2-CD1 4.04Å; V74-I173 HydrophobicContact CG2-CG1 3.94Å; T162-I173 HydrophobicContact CG2-CG2 3.33Å; I163-I173 WeakPolarHBondContact O-CA 3.1Å; V164-I173 HydrophobicContact CG2-CG1 4.33Å; V164-I173 HydrophobicContact CG2-CG2 3.97Å; I173-G185 WeakPolarHBondContact CB-O 3.26Å; I173-G185 PolarHBondContact O-N 2.87Å; I173-F188 HydrophobicContact CB-CD2 4.33Å; I173-F188 HydrophobicContact CB-CE2 4.44Å; I173-F188 HydrophobicContact CG2-CD2 3.52Å; I173-F188 HydrophobicContact CG2-CE2 3.98Å
174	Y	98.5	Very high	95.3	Very high	41 Å²	41	45 Å²	45	16%	0.161	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	123.2	178.2	-66.5	-89.7	0	0	0	110.2	V138 A139 S142 T162 I163 R182 T183 P184	V138-Y174 HydrophobicContact CB-CD2 4.38Å; V138-Y174 HydrophobicContact CB-CE2 4.17Å; V138-Y174 HydrophobicContact CG1-CD2 3.78Å; V138-Y174 HydrophobicContact CG1-CE2 4.07Å; A139-Y174 HydrophobicContact CB-CE2 4.23Å; A139-Y174 WeakPolarHBondContact CB-OH 3.46Å; S142-Y174 VanDerWaalsContact CB-CB 3.47Å; T162-Y174 CarbonylContact C-O 3.5Å; T162-Y174 WeakPolarHBondContact CA-O 3.32Å; I163-Y174 PolarHBondContact N-O 3.34Å; I163-Y174 PolarHBondContact O-N 3.13Å; Y174-R182 HydrophobicContact CD1-CG 4.28Å; Y174-R182 VanDerWaalsContact CD1-CZ 3.4Å; Y174-T183 WeakPolarHBondContact CA-O 3.33Å; Y174-P184 HydrophobicContact CD1-CB 3.92Å; Y174-P184 HydrophobicContact CE1-CB 3.62Å
175	Y	98.1	Very high	95.1	Very high	54 Å²	54	46.1 Å²	46.1	21%	0.212	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	135	169.4	176.7	-116.9	0	0	0	110.2	T161 D177 R182 T183 V190	T161-Y175 WeakPolarHBondContact O-CD2 3.45Å; Y175-D177 HydrophobicContact CE1-CB 3.78Å; Y175-R182 CarbonylContact O-C 3.55Å; Y175-R182 WeakPolarHBondContact O-CA 3.14Å; Y175-T183 PolarHBondContact N-O 2.86Å; Y175-T183 PolarHBondContact O-N 2.91Å; Y175-V190 HydrophobicContact CD2-CG1 4.43Å; Y175-V190 HydrophobicContact CD2-CG2 3.7Å; Y175-V190 HydrophobicContact CE2-CB 4.34Å; Y175-V190 HydrophobicContact CE2-CG1 3.64Å; Y175-V190 HydrophobicContact CE2-CG2 3.72Å
176	V	97.2	Very high	95	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	123.9	173.4	-177.7	0	0	0	0	109.1	L145 A146 T161 N181 R182	L145-V176 HydrophobicContact CD2-CB 4.33Å; L145-V176 HydrophobicContact CD2-CG1 4.41Å; L145-V176 HydrophobicContact CD2-CG2 4.42Å; L145-V176 HydrophobicContact CG-CG1 4.33Å; A146-V176 HydrophobicContact CB-CG1 4.03Å; A146-V176 HydrophobicContact CB-CG2 4.38Å; T161-V176 HydrophobicContact CG2-CB 4.21Å; T161-V176 PolarHBondContact N-O 2.9Å; T161-V176 PolarHBondContact O-N 2.88Å; V176-N181 VanDerWaalsContact CA-O 3.3Å; V176-N181 WeakPolarHBondContact CA-O 3.49Å; V176-R182 HydrophobicContact CG2-CG 4.37Å
177	D	93.7	Very high	94.9	Very high	31 Å²	31	49.5 Å²	49.5	17%	0.166	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	177.6	179.2	72.8	15.8	0	0	0	113.1	V149 I159 Y175 D179 G180 N181	V149-D177 WeakPolarHBondContact CG1-O 3.46Å; I159-D177 CarbonylContact O-C 3.54Å; Y175-D177 HydrophobicContact CE1-CB 3.78Å; D177-D179 PolarHBondContact O-N 3.39Å; D177-D179 WeakPolarHBondContact OD1-CA 3.2Å; D177-D179 PolarHBondContact OD1-N 3.38Å; D177-G180 PolarHBondContact O-N 2.82Å; D177-G180 PolarHBondContact OD1-N 2.95Å; D177-N181 PolarHBondContact N-O 3.32Å; D177-N181 WeakPolarHBondContact OD1-CB 3.35Å; D177-N181 PolarHBondContact OD1-N 3Å; D177-N181 PolarHBondContact OD1-ND2 2.92Å; D177-N181 WeakPolarHBondContact OD2-CB 3.23Å; D177-N181 PolarHBondContact OD2-ND2 2.94Å
178	T	90.7	Very high	95.1	Very high	42 Å²	42	49.8 Å²	49.8	26%	0.258	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-29.3	179.7	-66.3	0	0	0	0	113.5	V149 L157 I159 G180	V149-T178 VanDerWaalsContact CG1-O 3.3Å; V149-T178 WeakPolarHBondContact CG1-O 3.25Å; L157-T178 HydrophobicContact CB-CG2 4.24Å; L157-T178 WeakPolarHBondContact O-CG2 3.37Å; I159-T178 PolarHBondContact N-OG1 2.91Å; I159-T178 PolarHBondContact O-N 2.85Å; I159-T178 PolarHBondContact O-OG1 2.77Å; T178-G180 PolarHBondContact O-N 3.14Å
179	D	90.4	Very high	95.3	Very high	63 Å²	63	42.9 Å²	42.9	34%	0.337	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-0.8	179.7	-74.9	-35.5	0	0	0	112.4	Y150 K153 D177 N181	Y150-D179 WeakPolarHBondContact CD2-O 3.45Å; K153-D179 HydrophobicContact CD-CB 4.32Å; K153-D179 WeakPolarHBondContact CE-OD1 3.33Å; D177-D179 PolarHBondContact O-N 3.39Å; D177-D179 WeakPolarHBondContact OD1-CA 3.2Å; D177-D179 PolarHBondContact OD1-N 3.38Å; D179-N181 VanDerWaalsContact C-N 3.29Å
180	G	91.1	Very high	95.5	Very high	12 Å²	12	37.4 Å²	37.4	12%	0.124	21%	0.214	C	C	.	.			trans	75.5	17.4	-174.3	0	0	0	0	0	113	D177 T178	D177-G180 PolarHBondContact O-N 2.82Å; D177-G180 PolarHBondContact OD1-N 2.95Å; T178-G180 PolarHBondContact O-N 3.14Å
181	N	95.1	Very high	95.5	Very high	82 Å²	82	37.7 Å²	37.7	44%	0.439	22%	0.216	S	C	.	.			trans	-69.3	144	169.5	-57.7	-52.2	0	0	0	109	V176 D177 D179	V176-N181 VanDerWaalsContact CA-O 3.3Å; V176-N181 WeakPolarHBondContact CA-O 3.49Å; D177-N181 PolarHBondContact N-O 3.32Å; D177-N181 WeakPolarHBondContact OD1-CB 3.35Å; D177-N181 PolarHBondContact OD1-N 3Å; D177-N181 PolarHBondContact OD1-ND2 2.92Å; D177-N181 WeakPolarHBondContact OD2-CB 3.23Å; D177-N181 PolarHBondContact OD2-ND2 2.94Å; D179-N181 VanDerWaalsContact C-N 3.29Å
182	R	95.9	Very high	95.4	Very high	74 Å²	74	39.5 Å²	39.5	28%	0.279	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	119.5	-178.9	177.1	-176.2	162.6	-83.5	12.9	110.3	A139 S142 A146 Y174 Y175 V176	A139-R182 PolarHBondContact O-NH2 2.89Å; A139-R182 VanDerWaalsContact O-NH2 3.13Å; S142-R182 PolarHBondContact OG-NE 2.82Å; A146-R182 HydrophobicContact CB-CB 3.91Å; Y174-R182 HydrophobicContact CD1-CG 4.28Å; Y174-R182 VanDerWaalsContact CD1-CZ 3.4Å; Y175-R182 CarbonylContact O-C 3.55Å; Y175-R182 WeakPolarHBondContact O-CA 3.14Å; V176-R182 HydrophobicContact CG2-CG 4.37Å
183	T	97.7	Very high	95.3	Very high	67 Å²	67	39 Å²	39	41%	0.411	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	119.8	-175.5	-54.3	0	0	0	0	110.7	Y174 Y175 F188	Y174-T183 WeakPolarHBondContact CA-O 3.33Å; Y175-T183 PolarHBondContact N-O 2.86Å; Y175-T183 PolarHBondContact O-N 2.91Å; T183-F188 HydrophobicContact CG2-CE1 4.22Å; T183-F188 HydrophobicContact CG2-CZ 4.08Å; T183-F188 VanDerWaalsContact O-CZ 3.29Å; T183-F188 WeakPolarHBondContact O-CZ 3.25Å
184	P	97.2	Very high	95.2	Very high	81 Å²	81	39.8 Å²	39.8	53%	0.526	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	152.2	168.8	30.3	-31.8	0	0	0	111.3	Y174	Y174-P184 HydrophobicContact CD1-CB 3.92Å; Y174-P184 HydrophobicContact CE1-CB 3.62Å
185	G	95.7	Very high	95	Very high	25 Å²	25	41.9 Å²	41.9	26%	0.258	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.4	172.5	174.5	0	0	0	0	0	112.9	I173	I173-G185 WeakPolarHBondContact CB-O 3.26Å; I173-G185 PolarHBondContact O-N 2.87Å
186	N	95	Very high	95	Very high	89 Å²	89	44.6 Å²	44.6	48%	0.476	26%	0.258	S	S	.	.	S	Bend	trans	-97.9	-14.6	175	-67.2	-28.8	0	0	0	112.4	K69	K69-N186 HydrophobicContact CB-CB 4.3Å; K69-N186 WeakPolarHBondContact CB-O 3.43Å; K69-N186 PolarHBondContact N-O 3.09Å
187	L	96.1	Very high	94.9	Very high	32 Å²	32	44.6 Å²	44.6	17%	0.168	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	127.9	-177.3	-171.5	154.4	0	0	0	108.8	A67 L68 Y198 L201 Y205	A67-L187 WeakPolarHBondContact O-CA 3.25Å; L68-L187 HydrophobicContact CB-CD1 4.39Å; L68-L187 HydrophobicContact CB-CG 4.4Å; L187-Y198 HydrophobicContact CD2-CD1 3.93Å; L187-Y198 HydrophobicContact CD2-CE1 3.35Å; L187-L201 HydrophobicContact CD1-CB 4.23Å; L187-L201 HydrophobicContact CD2-CD1 4.05Å; L187-Y205 HydrophobicContact CD1-CD1 4.28Å; L187-Y205 HydrophobicContact CD1-CD2 3.82Å; L187-Y205 HydrophobicContact CD1-CE2 4.26Å; L187-Y205 HydrophobicContact CD1-CG 3.82Å
188	F	97.5	Very high	95.1	Very high	24 Å²	24	46.4 Å²	46.4	11%	0.105	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	138.3	170.5	-69.8	-79	0	0	0	109.4	L66 A67 T162 I173 T183 V190	L66-F188 CarbonylContact C-O 3.55Å; L66-F188 WeakPolarHBondContact CA-O 3.42Å; A67-F188 PolarHBondContact N-O 3.37Å; A67-F188 PolarHBondContact O-N 3.23Å; T162-F188 HydrophobicContact CG2-CB 4.41Å; T162-F188 HydrophobicContact CG2-CD2 4.4Å; I173-F188 HydrophobicContact CB-CD2 4.33Å; I173-F188 HydrophobicContact CB-CE2 4.44Å; I173-F188 HydrophobicContact CG2-CD2 3.52Å; I173-F188 HydrophobicContact CG2-CE2 3.98Å; T183-F188 HydrophobicContact CG2-CE1 4.22Å; T183-F188 HydrophobicContact CG2-CZ 4.08Å; T183-F188 VanDerWaalsContact O-CZ 3.29Å; T183-F188 WeakPolarHBondContact O-CZ 3.25Å; F188-V190 HydrophobicContact CB-CG2 4.34Å
189	S	97	Very high	95.4	Very high	6 Å²	6	46.5 Å²	46.5	4%	0.042	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	127.9	159.4	-172.5	0	0	0	0	108.8	T65 S194 A197 Y198	T65-S189 CarbonylContact O-C 3.29Å; T65-S189 VanDerWaalsContact O-CA 3.25Å; T65-S189 WeakPolarHBondContact O-CA 3.4Å; T65-S189 PolarHBondContact O-OG 2.86Å; S189-S194 VanDerWaalsContact O-CB 3.23Å; S189-S194 WeakPolarHBondContact O-CB 3.36Å; S189-S194 WeakPolarHBondContact OG-CA 3.47Å; S189-S194 VanDerWaalsContact OG-CB 3.28Å; S189-S194 WeakPolarHBondContact OG-CB 3.42Å; S189-A197 WeakPolarHBondContact OG-CB 3.45Å; S189-Y198 VanDerWaalsContact N-CZ 3.3Å; S189-Y198 PolarHBondContact N-OH 2.98Å; S189-Y198 VanDerWaalsContact O-CE2 3.28Å; S189-Y198 WeakPolarHBondContact O-CE2 3.45Å
190	V	95.7	Very high	95.6	Very high	15 Å²	15	44.8 Å²	44.8	9%	0.091	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	136.9	-170.6	-176.1	0	0	0	0	109.9	T65 A108 Y175 F188	T65-V190 PolarHBondContact N-O 2.78Å; T65-V190 PolarHBondContact O-N 3.19Å; T65-V190 WeakPolarHBondContact OG1-CB 3.31Å; T65-V190 PolarHBondContact OG1-O 2.71Å; A108-V190 HydrophobicContact CB-CG1 3.84Å; Y175-V190 HydrophobicContact CD2-CG1 4.43Å; Y175-V190 HydrophobicContact CD2-CG2 3.7Å; Y175-V190 HydrophobicContact CE2-CB 4.34Å; Y175-V190 HydrophobicContact CE2-CG1 3.64Å; Y175-V190 HydrophobicContact CE2-CG2 3.72Å; F188-V190 HydrophobicContact CB-CG2 4.34Å
191	G	92.7	Very high	95.8	Very high	25 Å²	25	44.2 Å²	44.2	26%	0.258	26%	0.259	S	S	.	.	S	Bend	trans	117.2	-178.8	178	0	0	0	0	0	112.7	T63 G193 S194	T63-G191 CarbonylContact O-C 3.52Å; T63-G191 WeakPolarHBondContact O-CA 3.15Å; G191-G193 VanDerWaalsContact C-N 3.3Å; G191-G193 PolarHBondContact O-N 3.19Å; G191-S194 WeakPolarHBondContact O-CB 3.34Å; G191-S194 PolarHBondContact O-N 2.78Å; G191-S194 VanDerWaalsContact O-N 3.13Å; G191-S194 PolarHBondContact O-OG 3.46Å
192	S	93.4	Very high	95.8	Very high	52 Å²	52	45.7 Å²	45.7	36%	0.364	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-37	-176.1	49.3	0	0	0	0	113.4	G62 T63 S194 P195 D229	G62-S192 VanDerWaalsContact CA-OG 3.26Å; G62-S192 WeakPolarHBondContact CA-OG 3.24Å; T63-S192 PolarHBondContact N-OG 3.03Å; T63-S192 VanDerWaalsContact N-OG 3.12Å; T63-S192 PolarHBondContact O-N 3.07Å; T63-S192 PolarHBondContact O-OG 2.97Å; S192-S194 VanDerWaalsContact C-N 3.33Å; S192-P195 WeakPolarHBondContact O-CD 3.27Å; S192-D229 PolarHBondContact OG-OD2 3.05Å
193	G	94.8	Very high	95.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	4.7	179.6	0	0	0	0	0	114.2	T63 T64 G191 P195 Y196 A197 A225 D229	T63-G193 PolarHBondContact O-N 3.09Å; T64-G193 WeakPolarHBondContact OG1-CA 3.36Å; G191-G193 VanDerWaalsContact C-N 3.3Å; G191-G193 PolarHBondContact O-N 3.19Å; G193-P195 VanDerWaalsContact C-CD 3.41Å; G193-Y196 PolarHBondContact O-N 3.06Å; G193-A197 PolarHBondContact O-N 2.88Å; G193-A225 WeakPolarHBondContact O-CB 3.2Å; G193-D229 WeakPolarHBondContact CA-OD2 3.41Å; G193-D229 PolarHBondContact N-OD2 2.86Å; G193-D229 VanDerWaalsContact N-OD2 3.12Å
194	S	95.1	Very high	95.5	Very high	21 Å²	21	46.4 Å²	46.4	15%	0.147	29%	0.286	C	S	.	.	H	α-helix	trans	-58.8	-37.3	179.7	74.1	0	0	0	0	114.6	S189 G191 S192 Y196 A197 Y198	S189-S194 VanDerWaalsContact O-CB 3.23Å; S189-S194 WeakPolarHBondContact O-CB 3.36Å; S189-S194 WeakPolarHBondContact OG-CA 3.47Å; S189-S194 VanDerWaalsContact OG-CB 3.28Å; S189-S194 WeakPolarHBondContact OG-CB 3.42Å; G191-S194 WeakPolarHBondContact O-CB 3.34Å; G191-S194 PolarHBondContact O-N 2.78Å; G191-S194 VanDerWaalsContact O-N 3.13Å; G191-S194 PolarHBondContact O-OG 3.46Å; S192-S194 VanDerWaalsContact C-N 3.33Å; S194-Y196 PolarHBondContact O-N 2.87Å; S194-A197 PolarHBondContact O-N 3.11Å; S194-A197 VanDerWaalsContact O-N 3.16Å; S194-Y198 WeakPolarHBondContact O-CD2 3.41Å; S194-Y198 PolarHBondContact O-N 3.19Å
195	P	95.8	Very high	95.4	Very high	84 Å²	84	45.6 Å²	45.6	55%	0.545	27%	0.273	S	S	.	.	H	α-helix	trans	-62	-34.7	179.3	-23.5	36.1	0	0	0	112.6	S192 G193 G199	S192-P195 WeakPolarHBondContact O-CD 3.27Å; G193-P195 VanDerWaalsContact C-CD 3.41Å; P195-G199 PolarHBondContact O-N 3.25Å
196	Y	96.3	Very high	95.5	Very high	111 Å²	111	51.2 Å²	51.2	44%	0.435	29%	0.29	S	S	.	.	H	α-helix	trans	-73	-39.3	176.8	-54.7	-64.8	0	0	0	111.9	G193 S194 G199 R228 D229	G193-Y196 PolarHBondContact O-N 3.06Å; S194-Y196 PolarHBondContact O-N 2.87Å; Y196-G199 PolarHBondContact O-N 2.86Å; Y196-R228 HydrophobicContact CD1-CB 3.73Å; Y196-R228 HydrophobicContact CD1-CG 4.18Å; Y196-R228 HydrophobicContact CD2-CB 4.02Å; Y196-R228 HydrophobicContact CE1-CB 3.75Å; Y196-R228 HydrophobicContact CE1-CG 4.39Å; Y196-R228 HydrophobicContact CE2-CB 4.05Å; Y196-R228 HydrophobicContact CG-CB 3.87Å; Y196-D229 HydrophobicContact CD2-CB 4.01Å; Y196-D229 HydrophobicContact CE2-CB 3.93Å
197	A	96.8	Very high	95.5	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-64.6	-41.8	175.4	0	0	0	0	0	111.3	T64 S189 G193 S194 G199 V200 L201 A225	T64-A197 HydrophobicContact CG2-CB 3.96Å; S189-A197 WeakPolarHBondContact OG-CB 3.45Å; G193-A197 PolarHBondContact O-N 2.88Å; S194-A197 PolarHBondContact O-N 3.11Å; S194-A197 VanDerWaalsContact O-N 3.16Å; A197-G199 VanDerWaalsContact C-N 3.32Å; A197-G199 PolarHBondContact O-N 2.83Å; A197-V200 PolarHBondContact O-N 3.45Å; A197-L201 WeakPolarHBondContact O-CB 3.34Å; A197-L201 WeakPolarHBondContact O-CG 3.47Å; A197-L201 PolarHBondContact O-N 3.23Å; A197-A225 HydrophobicContact CB-CB 4.21Å
198	Y	97.3	Very high	95.5	Very high	69 Å²	69	59.1 Å²	59.1	27%	0.271	32%	0.319	S	S	.	.	H	α-helix	trans	-56.4	-42.9	175.9	-88	-64	0	0	0	112.5	L187 S189 S194 V200 L201 D202	L187-Y198 HydrophobicContact CD2-CD1 3.93Å; L187-Y198 HydrophobicContact CD2-CE1 3.35Å; S189-Y198 VanDerWaalsContact N-CZ 3.3Å; S189-Y198 PolarHBondContact N-OH 2.98Å; S189-Y198 VanDerWaalsContact O-CE2 3.28Å; S189-Y198 WeakPolarHBondContact O-CE2 3.45Å; S194-Y198 WeakPolarHBondContact O-CD2 3.41Å; S194-Y198 PolarHBondContact O-N 3.19Å; Y198-V200 PolarHBondContact O-N 2.9Å; Y198-V200 VanDerWaalsContact O-N 3.14Å; Y198-L201 PolarHBondContact O-N 2.76Å; Y198-D202 WeakPolarHBondContact O-CB 3.2Å; Y198-D202 VanDerWaalsContact O-CG 3.22Å; Y198-D202 PolarHBondContact O-N 2.73Å
199	G	96.1	Very high	95.4	Very high	45 Å²	45	59.1 Å²	59.1	46%	0.464	32%	0.32	S	S	.	.	H	α-helix	trans	-57	-33.8	178.9	0	0	0	0	0	114.1	P195 Y196 A197 T203	P195-G199 PolarHBondContact O-N 3.25Å; Y196-G199 PolarHBondContact O-N 2.86Å; A197-G199 VanDerWaalsContact C-N 3.32Å; A197-G199 PolarHBondContact O-N 2.83Å; G199-T203 PolarHBondContact O-OG1 3.46Å
200	V	95.9	Very high	95.4	Very high	26 Å²	26	61 Å²	61	16%	0.158	33%	0.333	C	S	.	.	H	α-helix	trans	-82.3	-44.9	176.5	-175.6	0	0	0	0	111.1	A197 Y198 T203 G204 L217 R220 S221 H224	A197-V200 PolarHBondContact O-N 3.45Å; Y198-V200 PolarHBondContact O-N 2.9Å; Y198-V200 VanDerWaalsContact O-N 3.14Å; V200-T203 PolarHBondContact O-N 3.16Å; V200-G204 PolarHBondContact O-N 3.42Å; V200-L217 HydrophobicContact CG1-CD1 4.25Å; V200-R220 HydrophobicContact CG1-CB 4.49Å; V200-R220 HydrophobicContact CG1-CG 4.12Å; V200-S221 WeakPolarHBondContact CG1-OG 3.43Å; V200-H224 HydrophobicContact CG2-CB 3.76Å
201	L	95.8	Very high	95.5	Very high	0 Å²	0	62 Å²	62	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-58.3	-50	179	-74.9	172.3	0	0	0	111.1	L66 L68 L187 A197 Y198 T203 G204 Y205 L217 S221	L66-L201 HydrophobicContact CB-CD1 4.15Å; L66-L201 HydrophobicContact CD2-CD1 4.13Å; L66-L201 HydrophobicContact CD2-CD2 4.31Å; L68-L201 HydrophobicContact CD2-CD2 4.1Å; L187-L201 HydrophobicContact CD1-CB 4.23Å; L187-L201 HydrophobicContact CD2-CD1 4.05Å; A197-L201 WeakPolarHBondContact O-CB 3.34Å; A197-L201 WeakPolarHBondContact O-CG 3.47Å; A197-L201 PolarHBondContact O-N 3.23Å; Y198-L201 PolarHBondContact O-N 2.76Å; L201-T203 PolarHBondContact O-N 3.12Å; L201-G204 PolarHBondContact O-N 2.78Å; L201-Y205 WeakPolarHBondContact O-CA 3.48Å; L201-Y205 WeakPolarHBondContact O-CB 3.41Å; L201-Y205 PolarHBondContact O-N 2.71Å; L201-L217 HydrophobicContact CD2-CD2 4.38Å; L201-L217 HydrophobicContact CD2-CG 4.16Å; L201-S221 WeakPolarHBondContact CD2-OG 3.45Å; L201-S221 WeakPolarHBondContact CG-OG 2.97Å
202	D	94.5	Very high	95.7	Very high	113 Å²	113	67 Å²	67	60%	0.604	35%	0.354	S	S	*	.	H	α-helix	trans	-63.3	-29.9	-176.5	-67.7	-13.6	0	0	0	112.2	Y198	Y198-D202 WeakPolarHBondContact O-CB 3.2Å; Y198-D202 VanDerWaalsContact O-CG 3.22Å; Y198-D202 PolarHBondContact O-N 2.73Å
203	T	93.9	Very high	95.8	Very high	126 Å²	126	69.1 Å²	69.1	77%	0.773	36%	0.361	S	S	*	.	H	α-helix	trans	-79.2	-37.8	177.4	-55.3	0	0	0	0	112.3	G199 V200 L201	G199-T203 PolarHBondContact O-OG1 3.46Å; V200-T203 PolarHBondContact O-N 3.16Å; L201-T203 PolarHBondContact O-N 3.12Å
204	G	92.9	Very high	96	Very high	31 Å²	31	69.1 Å²	69.1	32%	0.32	36%	0.361	S	S	.	.	H	α-helix	trans	-99.5	-16.7	-171.8	0	0	0	0	0	115.4	V200 L201 K206	V200-G204 PolarHBondContact O-N 3.42Å; L201-G204 PolarHBondContact O-N 2.78Å; G204-K206 PolarHBondContact O-N 3.16Å
205	Y	96.1	Very high	96.1	Very high	64 Å²	64	69.5 Å²	69.5	25%	0.251	36%	0.36	S	S	.	.			trans	-70.8	129.1	-171.7	176.8	-102.1	0	0	0	112.3	L68 K69 L187 L201	L68-Y205 HydrophobicContact CB-CD2 4.49Å; L68-Y205 HydrophobicContact CB-CE2 4.38Å; L68-Y205 HydrophobicContact CD1-CD2 4.4Å; L68-Y205 HydrophobicContact CD1-CE2 4.28Å; K69-Y205 VanDerWaalsContact O-CE2 3.22Å; K69-Y205 WeakPolarHBondContact O-CE2 3.44Å; K69-Y205 VanDerWaalsContact O-CZ 3.3Å; K69-Y205 PolarHBondContact O-OH 3.32Å; L187-Y205 HydrophobicContact CD1-CD1 4.28Å; L187-Y205 HydrophobicContact CD1-CD2 3.82Å; L187-Y205 HydrophobicContact CD1-CE2 4.26Å; L187-Y205 HydrophobicContact CD1-CG 3.82Å; L201-Y205 WeakPolarHBondContact O-CA 3.48Å; L201-Y205 WeakPolarHBondContact O-CB 3.41Å; L201-Y205 PolarHBondContact O-N 2.71Å
206	K	96.1	Very high	96.1	Very high	142 Å²	142	67.6 Å²	67.6	62%	0.617	34%	0.344	S	S	*	.			trans	-139.9	138.5	172.2	-63.4	-179.7	-177.5	175.9	0	107.8	G204 E208 M209	G204-K206 PolarHBondContact O-N 3.16Å; K206-E208 VanDerWaalsContact C-N 3.31Å; K206-E208 PolarHBondContact O-N 3.23Å; K206-M209 HydrophobicContact CB-CE 4.09Å; K206-M209 VanDerWaalsContact N-CE 3.31Å; K206-M209 VanDerWaalsContact O-CE 3.26Å; K206-M209 WeakPolarHBondContact O-CE 3.28Å; K206-M209 WeakPolarHBondContact O-CG 3.38Å
207	Y	95.3	Very high	96.2	Very high	123 Å²	123	63.2 Å²	63.2	48%	0.482	33%	0.328	S	S	.	.	S	Bend	trans	-64.7	-40.3	177.2	-176.6	-101.9	0	0	0	111.3	Y70 S71 M209	Y70-Y207 WeakPolarHBondContact CB-O 3.21Å; S71-Y207 WeakPolarHBondContact CB-O 3.33Å; S71-Y207 PolarHBondContact N-O 3.27Å; S71-Y207 PolarHBondContact OG-O 2.86Å; Y207-M209 PolarHBondContact O-N 3.19Å
208	E	96.2	Very high	96.3	Very high	165 Å²	165	63.2 Å²	63.2	77%	0.771	33%	0.328	S	S	*	.	S	Bend	trans	-92	96.7	174.4	-62.3	-177.3	177.1	0	0	109.4	K206	K206-E208 VanDerWaalsContact C-N 3.31Å; K206-E208 PolarHBondContact O-N 3.23Å
209	M	94.9	Very high	96.3	Very high	24 Å²	24	61.1 Å²	61.1	12%	0.118	32%	0.319	C	S	.	.			trans	-140.9	155.5	174.7	57.2	179.7	34.1	0	0	110.4	L68 Y70 S71 K206 Y207 D213 A214 L217	L68-M209 HydrophobicContact CD1-SD 4.36Å; Y70-M209 HydrophobicContact CD2-CG 3.34Å; Y70-M209 WeakPolarHBondContact CD2-O 3.46Å; Y70-M209 HydrophobicContact CD2-SD 4.24Å; Y70-M209 HydrophobicContact CE2-CG 4.06Å; Y70-M209 WeakPolarHBondContact CE2-O 3.2Å; Y70-M209 HydrophobicContact CG-CG 3.87Å; Y70-M209 HydrophobicContact CG-SD 4.25Å; S71-M209 PolarHBondContact OG-O 3.21Å; K206-M209 HydrophobicContact CB-CE 4.09Å; K206-M209 VanDerWaalsContact N-CE 3.31Å; K206-M209 VanDerWaalsContact O-CE 3.26Å; K206-M209 WeakPolarHBondContact O-CE 3.28Å; K206-M209 WeakPolarHBondContact O-CG 3.38Å; Y207-M209 PolarHBondContact O-N 3.19Å; M209-D213 HydrophobicContact CB-CB 4.3Å; M209-A214 HydrophobicContact CG-CB 4.08Å; M209-A214 HydrophobicContact SD-CB 3.56Å; M209-A214 VanDerWaalsContact SD-CB 3.56Å; M209-L217 HydrophobicContact CE-CD2 3.87Å
210	S	97.3	Very high	96.3	Very high	46 Å²	46	64.7 Å²	64.7	32%	0.322	32%	0.319	S	S	.	.			trans	-69	158.4	171.9	67.9	0	0	0	0	110.8	E212 D213 A214	S210-E212 PolarHBondContact O-N 2.95Å; S210-D213 PolarHBondContact O-N 3.19Å; S210-D213 WeakPolarHBondContact OG-CB 3.28Å; S210-D213 PolarHBondContact OG-N 2.9Å; S210-D213 VanDerWaalsContact OG-N 3.07Å; S210-D213 PolarHBondContact OG-OD2 2.57Å; S210-A214 WeakPolarHBondContact O-CB 3.34Å; S210-A214 PolarHBondContact O-N 3.13Å
211	D	97.5	Very high	96.4	Very high	36 Å²	36	63.4 Å²	63.4	19%	0.193	31%	0.311	C	S	.	.	H	α-helix	trans	-55.7	-41.7	173.7	-78.2	17.6	0	0	0	110.3	Y70 A214 Y215 H240 K242	Y70-D211 WeakPolarHBondContact OH-CA 3.35Å; Y70-D211 PolarHBondContact OH-OD1 3.14Å; D211-A214 PolarHBondContact O-N 2.6Å; D211-Y215 HydrophobicContact CB-CE2 3.99Å; D211-Y215 WeakPolarHBondContact O-CD1 3.46Å; D211-Y215 WeakPolarHBondContact O-CD2 3.35Å; D211-Y215 PolarHBondContact O-N 3.49Å; D211-H240 IonicContact OD1-CE1 2.78Å; D211-H240 IonicContact OD2-CE1 2.72Å; D211-H240 PolarHBondContact OD2-CE1 3.42Å; D211-H240 IonicContact OD2-ND1 3.62Å; D211-K242 WeakPolarHBondContact OD2-CE 3.03Å; D211-K242 IonicContact OD2-NZ 3.4Å; D211-K242 PolarHBondContact OD2-NZ 3.3Å
212	E	97.2	Very high	96.4	Very high	129 Å²	129	63.4 Å²	63.4	60%	0.603	31%	0.311	S	S	*	.	H	α-helix	trans	-64.8	-43.9	-179.2	-67.4	70.3	-156.7	0	0	112.5	S210 Y215 E216	S210-E212 PolarHBondContact O-N 2.95Å; E212-Y215 PolarHBondContact O-N 3.25Å; E212-E216 WeakPolarHBondContact O-CB 3.46Å; E212-E216 PolarHBondContact O-N 2.8Å
213	D	96.9	Very high	96.5	Very high	96 Å²	96	58.2 Å²	58.2	51%	0.513	28%	0.283	S	S	.	.	H	α-helix	trans	-65.7	-40.3	176.1	-67.5	-38.4	0	0	0	111	M209 S210 E216 L217	M209-D213 HydrophobicContact CB-CB 4.3Å; S210-D213 PolarHBondContact O-N 3.19Å; S210-D213 WeakPolarHBondContact OG-CB 3.28Å; S210-D213 PolarHBondContact OG-N 2.9Å; S210-D213 VanDerWaalsContact OG-N 3.07Å; S210-D213 PolarHBondContact OG-OD2 2.57Å; D213-E216 PolarHBondContact O-N 3.45Å; D213-L217 WeakPolarHBondContact O-CB 3.47Å; D213-L217 PolarHBondContact O-N 3.37Å
214	A	97.5	Very high	96.6	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.4	-43.5	176.5	0	0	0	0	0	111.5	Y70 I75 M209 S210 D211 E216 L217 A218	Y70-A214 HydrophobicContact CD1-CB 4.27Å; Y70-A214 HydrophobicContact CD2-CB 4.21Å; Y70-A214 HydrophobicContact CE1-CB 3.96Å; Y70-A214 HydrophobicContact CE2-CB 3.83Å; Y70-A214 HydrophobicContact CG-CB 4.39Å; I75-A214 HydrophobicContact CG1-CB 3.86Å; M209-A214 HydrophobicContact CG-CB 4.08Å; M209-A214 HydrophobicContact SD-CB 3.56Å; M209-A214 VanDerWaalsContact SD-CB 3.56Å; S210-A214 WeakPolarHBondContact O-CB 3.34Å; S210-A214 PolarHBondContact O-N 3.13Å; D211-A214 PolarHBondContact O-N 2.6Å; A214-E216 VanDerWaalsContact C-N 3.34Å; A214-L217 PolarHBondContact O-N 2.71Å; A214-A218 WeakPolarHBondContact O-CB 3.22Å; A214-A218 PolarHBondContact O-N 3.43Å
215	Y	98	Very high	96.8	Very high	29 Å²	29	53.6 Å²	53.6	11%	0.114	24%	0.244	C	C	.	.	H	α-helix	trans	-63.2	-41.4	174.9	-59.8	-25.5	0	0	0	111.9	I75 D211 E212 R219 L238 H240 I249	I75-Y215 HydrophobicContact CD1-CD1 3.63Å; I75-Y215 HydrophobicContact CD1-CE1 3.42Å; I75-Y215 VanDerWaalsContact CD1-CE1 3.42Å; I75-Y215 HydrophobicContact CG1-CD1 4.3Å; D211-Y215 HydrophobicContact CB-CE2 3.99Å; D211-Y215 WeakPolarHBondContact O-CD1 3.46Å; D211-Y215 WeakPolarHBondContact O-CD2 3.35Å; D211-Y215 PolarHBondContact O-N 3.49Å; E212-Y215 PolarHBondContact O-N 3.25Å; Y215-R219 WeakPolarHBondContact O-CB 3.42Å; Y215-R219 WeakPolarHBondContact O-CG 3.36Å; Y215-R219 PolarHBondContact O-N 3.41Å; Y215-L238 HydrophobicContact CD1-CD2 3.92Å; Y215-L238 HydrophobicContact CG-CD2 3.96Å; Y215-H240 HydrophobicContact CE1-CB 3.98Å; Y215-H240 AromaticContact CE1-CG 3.93Å; Y215-H240 AromaticContact CE1-ND1 3.45Å; Y215-H240 WeakPolarHBondContact CE1-ND1 3.37Å; Y215-H240 AromaticContact CZ-ND1 3.52Å; Y215-H240 PolarHBondContact OH-ND1 3.13Å; Y215-I249 HydrophobicContact CD1-CG1 4.41Å; Y215-I249 HydrophobicContact CD2-CG2 4.27Å; Y215-I249 HydrophobicContact CE1-CD1 4Å; Y215-I249 HydrophobicContact CE1-CG1 3.87Å; Y215-I249 HydrophobicContact CE2-CD1 4.37Å; Y215-I249 HydrophobicContact CE2-CG2 4.28Å; Y215-I249 HydrophobicContact CG-CG2 4.44Å; Y215-I249 WeakPolarHBondContact OH-CD1 3.16Å
216	E	96.8	Very high	96.7	Very high	45 Å²	45	51.2 Å²	51.2	21%	0.21	24%	0.236	C	C	.	.	H	α-helix	trans	-67.7	-43	179.5	-173.4	56	-149	0	0	111.7	E212 D213 A214 R219 R220 K260 Y261	E212-E216 WeakPolarHBondContact O-CB 3.46Å; E212-E216 PolarHBondContact O-N 2.8Å; D213-E216 PolarHBondContact O-N 3.45Å; A214-E216 VanDerWaalsContact C-N 3.34Å; E216-R219 PolarHBondContact O-N 2.99Å; E216-R219 IonicContact OE2-CZ 2.76Å; E216-R219 IonicContact OE2-NE 2.78Å; E216-R219 PolarHBondContact OE2-NE 3.5Å; E216-R219 IonicContact OE2-NH2 3.19Å; E216-R219 PolarHBondContact OE2-NH2 2.91Å; E216-R220 WeakPolarHBondContact O-CB 3.38Å; E216-R220 PolarHBondContact O-N 2.86Å; E216-K260 IonicContact OE1-NZ 3.04Å; E216-K260 IonicContact OE2-NZ 3.42Å; E216-K260 PolarHBondContact OE2-NZ 2.88Å; E216-Y261 WeakPolarHBondContact OE1-CE1 3.22Å; E216-Y261 PolarHBondContact OE1-OH 3.3Å
217	L	97.4	Very high	96.6	Very high	18 Å²	18	48.4 Å²	48.4	9%	0.094	23%	0.225	C	C	.	.	H	α-helix	trans	-59.7	-47.9	174.3	179.6	61	0	0	0	111.3	V200 L201 M209 D213 A214 R220 S221	V200-L217 HydrophobicContact CG1-CD1 4.25Å; L201-L217 HydrophobicContact CD2-CD2 4.38Å; L201-L217 HydrophobicContact CD2-CG 4.16Å; M209-L217 HydrophobicContact CE-CD2 3.87Å; D213-L217 WeakPolarHBondContact O-CB 3.47Å; D213-L217 PolarHBondContact O-N 3.37Å; A214-L217 PolarHBondContact O-N 2.71Å; L217-R220 PolarHBondContact O-N 3.17Å; L217-S221 VanDerWaalsContact O-CB 3.29Å; L217-S221 WeakPolarHBondContact O-CB 3.42Å; L217-S221 PolarHBondContact O-N 2.79Å; L217-S221 PolarHBondContact O-OG 3.43Å
218	A	98	Very high	96.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.6	-47.2	179.1	0	0	0	0	0	112.1	L66 L68 I75 A77 A214 S221 I222 L238	L66-A218 HydrophobicContact CD1-CB 4.11Å; L68-A218 HydrophobicContact CD2-CB 4.09Å; I75-A218 HydrophobicContact CG2-CB 3.58Å; A77-A218 HydrophobicContact CB-CB 4.06Å; A214-A218 WeakPolarHBondContact O-CB 3.22Å; A214-A218 PolarHBondContact O-N 3.43Å; A218-S221 PolarHBondContact O-N 3.41Å; A218-I222 PolarHBondContact O-N 3.14Å; A218-I222 VanDerWaalsContact O-N 3.09Å; A218-L238 HydrophobicContact CB-CD1 3.77Å
219	R	97.2	Very high	96.5	Very high	25 Å²	25	44 Å²	44	9%	0.094	20%	0.202	C	C	.	.	H	α-helix	trans	-59.9	-47.7	176.4	-78	-172.2	-60.8	-96.5	-4.6	111.9	Y215 E216 S221 I222 F223 V236 L238 Y252	Y215-R219 WeakPolarHBondContact O-CB 3.42Å; Y215-R219 WeakPolarHBondContact O-CG 3.36Å; Y215-R219 PolarHBondContact O-N 3.41Å; E216-R219 PolarHBondContact O-N 2.99Å; E216-R219 IonicContact OE2-CZ 2.76Å; E216-R219 IonicContact OE2-NE 2.78Å; E216-R219 PolarHBondContact OE2-NE 3.5Å; E216-R219 IonicContact OE2-NH2 3.19Å; E216-R219 PolarHBondContact OE2-NH2 2.91Å; R219-S221 VanDerWaalsContact C-N 3.31Å; R219-S221 PolarHBondContact O-N 2.96Å; R219-I222 PolarHBondContact O-N 3.17Å; R219-F223 VanDerWaalsContact O-CB 3.28Å; R219-F223 WeakPolarHBondContact O-CB 3.4Å; R219-F223 PolarHBondContact O-N 2.8Å; R219-V236 HydrophobicContact CG-CG1 4.43Å; R219-L238 HydrophobicContact CG-CD2 4.29Å; R219-Y252 HydrophobicContact CG-CD2 3.99Å; R219-Y252 HydrophobicContact CG-CE2 4.16Å; R219-Y252 PolarHBondContact NH1-OH 3.42Å
220	R	96.4	Very high	96.3	Very high	120 Å²	120	47 Å²	47	45%	0.453	23%	0.231	S	C	.	.	H	α-helix	trans	-63.6	-38.4	-179.3	-172.7	171	-176	166.3	4.1	111.7	V200 E216 L217 F223 H224 Y261	V200-R220 HydrophobicContact CG1-CB 4.49Å; V200-R220 HydrophobicContact CG1-CG 4.12Å; E216-R220 WeakPolarHBondContact O-CB 3.38Å; E216-R220 PolarHBondContact O-N 2.86Å; L217-R220 PolarHBondContact O-N 3.17Å; R220-F223 PolarHBondContact O-N 2.9Å; R220-H224 PolarHBondContact NE-NE2 3.18Å; R220-H224 PolarHBondContact O-CD2 3.17Å; R220-H224 PolarHBondContact O-N 2.94Å; R220-Y261 HydrophobicContact CB-CE2 4.37Å; R220-Y261 HydrophobicContact CG-CE2 4.5Å
221	S	97.6	Very high	96	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-65.5	-48.1	178.2	-57.4	0	0	0	0	112.1	V200 L201 L217 A218 R219 F223 H224 A225	V200-S221 WeakPolarHBondContact CG1-OG 3.43Å; L201-S221 WeakPolarHBondContact CD2-OG 3.45Å; L201-S221 WeakPolarHBondContact CG-OG 2.97Å; L217-S221 VanDerWaalsContact O-CB 3.29Å; L217-S221 WeakPolarHBondContact O-CB 3.42Å; L217-S221 PolarHBondContact O-N 2.79Å; L217-S221 PolarHBondContact O-OG 3.43Å; A218-S221 PolarHBondContact O-N 3.41Å; R219-S221 VanDerWaalsContact C-N 3.31Å; R219-S221 PolarHBondContact O-N 2.96Å; S221-F223 VanDerWaalsContact C-N 3.35Å; S221-F223 PolarHBondContact O-N 3.36Å; S221-H224 PolarHBondContact O-N 3.22Å; S221-A225 PolarHBondContact O-N 2.79Å; S221-A225 VanDerWaalsContact O-N 3.17Å
222	I	97.8	Very high	95.9	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.1	-43.3	174.7	-62	-61.3	0	0	0	110.5	T64 L66 A77 D79 A218 R219 H224 A225 T226 V236	T64-I222 HydrophobicContact CG2-CD1 3.56Å; L66-I222 HydrophobicContact CB-CD1 4.5Å; L66-I222 HydrophobicContact CD2-CD1 3.51Å; L66-I222 HydrophobicContact CD2-CG1 3.69Å; L66-I222 HydrophobicContact CG-CD1 3.88Å; L66-I222 HydrophobicContact CG-CG1 4.27Å; A77-I222 HydrophobicContact CB-CD1 4.42Å; A77-I222 HydrophobicContact CB-CG1 3.77Å; D79-I222 HydrophobicContact CB-CG2 4.15Å; A218-I222 PolarHBondContact O-N 3.14Å; A218-I222 VanDerWaalsContact O-N 3.09Å; R219-I222 PolarHBondContact O-N 3.17Å; I222-H224 PolarHBondContact O-N 3.33Å; I222-A225 WeakPolarHBondContact O-CB 3.43Å; I222-A225 PolarHBondContact O-N 3.04Å; I222-A225 VanDerWaalsContact O-N 3.14Å; I222-T226 HydrophobicContact CG2-CG2 4.02Å; I222-T226 VanDerWaalsContact O-CG2 3.32Å; I222-T226 WeakPolarHBondContact O-CG2 3.41Å; I222-T226 PolarHBondContact O-N 2.78Å; I222-T226 PolarHBondContact O-OG1 3.38Å; I222-V236 HydrophobicContact CB-CG1 3.93Å; I222-V236 HydrophobicContact CB-CG2 4.07Å; I222-V236 HydrophobicContact CG1-CG1 4.13Å; I222-V236 HydrophobicContact CG2-CB 4.33Å; I222-V236 HydrophobicContact CG2-CG1 4.03Å; I222-V236 HydrophobicContact CG2-CG2 3.69Å
223	F	96.4	Very high	95.8	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.018	19%	0.186	C	C	.	.	H	α-helix	trans	-56.7	-46.8	177.8	164.6	-96.8	0	0	0	113.1	R219 R220 S221 A225 T226 H227 V254 L257 Y258 Y261	R219-F223 VanDerWaalsContact O-CB 3.28Å; R219-F223 WeakPolarHBondContact O-CB 3.4Å; R219-F223 PolarHBondContact O-N 2.8Å; R220-F223 PolarHBondContact O-N 2.9Å; S221-F223 VanDerWaalsContact C-N 3.35Å; S221-F223 PolarHBondContact O-N 3.36Å; F223-A225 VanDerWaalsContact C-N 3.27Å; F223-A225 PolarHBondContact O-N 3.46Å; F223-T226 WeakPolarHBondContact CA-OG1 3.41Å; F223-T226 PolarHBondContact O-N 3.15Å; F223-T226 PolarHBondContact O-OG1 3.17Å; F223-H227 WeakPolarHBondContact O-CB 3.42Å; F223-H227 PolarHBondContact O-N 3.37Å; F223-V254 HydrophobicContact CD2-CG1 4.1Å; F223-V254 HydrophobicContact CE2-CG1 4.45Å; F223-L257 HydrophobicContact CB-CD1 4.32Å; F223-L257 HydrophobicContact CD2-CB 3.73Å; F223-L257 HydrophobicContact CE2-CB 4.34Å; F223-L257 HydrophobicContact CG-CB 4.27Å; F223-Y258 HydrophobicContact CE2-CD2 4.13Å; F223-Y258 HydrophobicContact CE2-CG 4.43Å; F223-Y258 AromaticContact CZ-CD2 3.85Å; F223-Y258 HydrophobicContact CZ-CD2 3.85Å; F223-Y258 HydrophobicContact CZ-CG 4.41Å; F223-Y261 HydrophobicContact CB-CD2 4.14Å; F223-Y261 HydrophobicContact CB-CE2 3.9Å; F223-Y261 AromaticContact CD1-CD2 3.28Å; F223-Y261 HydrophobicContact CD1-CD2 3.28Å; F223-Y261 AromaticContact CD1-CE2 3.89Å; F223-Y261 HydrophobicContact CD1-CE2 3.89Å; F223-Y261 HydrophobicContact CD1-CG 4.19Å; F223-Y261 HydrophobicContact CD2-CD2 4.05Å; F223-Y261 HydrophobicContact CD2-CE2 4.48Å; F223-Y261 AromaticContact CE1-CD2 3.62Å; F223-Y261 HydrophobicContact CE1-CD2 3.62Å; F223-Y261 HydrophobicContact CE1-CG 4.19Å; F223-Y261 HydrophobicContact CE2-CD2 4.35Å; F223-Y261 AromaticContact CG-CD2 3.52Å; F223-Y261 HydrophobicContact CG-CD2 3.52Å; F223-Y261 AromaticContact CG-CE2 3.8Å; F223-Y261 HydrophobicContact CG-CE2 3.8Å; F223-Y261 HydrophobicContact CZ-CD2 4.15Å
224	H	95.5	Very high	95.7	Very high	59 Å²	59	34.2 Å²	34.2	27%	0.273	17%	0.17	S	C	.	.	H	α-helix	trans	-66.9	-32.5	178.9	-78	-64.3	0	0	0	112	V200 R220 S221 I222 H227 R228	V200-H224 HydrophobicContact CG2-CB 3.76Å; R220-H224 PolarHBondContact NE-NE2 3.18Å; R220-H224 PolarHBondContact O-CD2 3.17Å; R220-H224 PolarHBondContact O-N 2.94Å; S221-H224 PolarHBondContact O-N 3.22Å; I222-H224 PolarHBondContact O-N 3.33Å; H224-H227 PolarHBondContact O-N 3.26Å; H224-R228 PolarHBondContact O-N 2.95Å
225	A	96.5	Very high	95.7	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-65.4	-46.8	171.2	0	0	0	0	0	112	T64 G193 A197 S221 I222 F223 H227 R228 D229	T64-A225 HydrophobicContact CG2-CB 3.6Å; G193-A225 WeakPolarHBondContact O-CB 3.2Å; A197-A225 HydrophobicContact CB-CB 4.21Å; S221-A225 PolarHBondContact O-N 2.79Å; S221-A225 VanDerWaalsContact O-N 3.17Å; I222-A225 WeakPolarHBondContact O-CB 3.43Å; I222-A225 PolarHBondContact O-N 3.04Å; I222-A225 VanDerWaalsContact O-N 3.14Å; F223-A225 VanDerWaalsContact C-N 3.27Å; F223-A225 PolarHBondContact O-N 3.46Å; A225-H227 PolarHBondContact O-N 3.46Å; A225-R228 PolarHBondContact O-N 3.26Å; A225-R228 VanDerWaalsContact O-N 3.15Å; A225-D229 WeakPolarHBondContact O-CB 3.26Å; A225-D229 PolarHBondContact O-N 2.85Å
226	T	95.1	Very high	95.7	Very high	14 Å²	14	35.6 Å²	35.6	9%	0.086	18%	0.177	C	C	.	.	H	α-helix	trans	-65.6	-24.1	177.1	63.2	0	0	0	0	113.5	D79 I222 F223 V254	D79-T226 HydrophobicContact CB-CG2 4.03Å; I222-T226 HydrophobicContact CG2-CG2 4.02Å; I222-T226 VanDerWaalsContact O-CG2 3.32Å; I222-T226 WeakPolarHBondContact O-CG2 3.41Å; I222-T226 PolarHBondContact O-N 2.78Å; I222-T226 PolarHBondContact O-OG1 3.38Å; F223-T226 WeakPolarHBondContact CA-OG1 3.41Å; F223-T226 PolarHBondContact O-N 3.15Å; F223-T226 PolarHBondContact O-OG1 3.17Å; T226-V254 HydrophobicContact CG2-CG2 3.96Å; T226-V254 WeakPolarHBondContact OG1-CG1 3.35Å
227	H	93.3	Very high	95.7	Very high	84 Å²	84	33.7 Å²	33.7	39%	0.389	17%	0.168	S	C	.	.	H	α-helix	trans	-74.9	-26.5	175.5	-172.7	67.3	0	0	0	113.3	F223 H224 A225 Y258	F223-H227 WeakPolarHBondContact O-CB 3.42Å; F223-H227 PolarHBondContact O-N 3.37Å; H224-H227 PolarHBondContact O-N 3.26Å; A225-H227 PolarHBondContact O-N 3.46Å; H227-Y258 AromaticContact CE1-CE2 3.6Å; H227-Y258 AromaticContact ND1-CD2 3.95Å; H227-Y258 AromaticContact ND1-CE2 3.84Å
228	R	94	Very high	95.8	Very high	174 Å²	174	32.8 Å²	32.8	66%	0.657	16%	0.164	S	C	*	.	H	α-helix	trans	-110.3	-35.8	-175.8	-64	-59	-171.9	-177.3	-1.3	113.9	Y196 H224 A225	Y196-R228 HydrophobicContact CD1-CB 3.73Å; Y196-R228 HydrophobicContact CD1-CG 4.18Å; Y196-R228 HydrophobicContact CD2-CB 4.02Å; Y196-R228 HydrophobicContact CE1-CB 3.75Å; Y196-R228 HydrophobicContact CE1-CG 4.39Å; Y196-R228 HydrophobicContact CE2-CB 4.05Å; Y196-R228 HydrophobicContact CG-CB 3.87Å; H224-R228 PolarHBondContact O-N 2.95Å; A225-R228 PolarHBondContact O-N 3.26Å; A225-R228 VanDerWaalsContact O-N 3.15Å
229	D	94.5	Very high	95.8	Very high	21 Å²	21	33 Å²	33	11%	0.112	16%	0.164	C	C	.	.			trans	-87.3	114	177.2	177.6	23.3	0	0	0	110.7	S192 G193 Y196 A225 A231 S232	S192-D229 PolarHBondContact OG-OD2 3.05Å; G193-D229 WeakPolarHBondContact CA-OD2 3.41Å; G193-D229 PolarHBondContact N-OD2 2.86Å; G193-D229 VanDerWaalsContact N-OD2 3.12Å; Y196-D229 HydrophobicContact CD2-CB 4.01Å; Y196-D229 HydrophobicContact CE2-CB 3.93Å; A225-D229 WeakPolarHBondContact O-CB 3.26Å; A225-D229 PolarHBondContact O-N 2.85Å; D229-A231 PolarHBondContact O-N 3.41Å; D229-A231 PolarHBondContact OD1-N 3.14Å; D229-A231 VanDerWaalsContact OD1-N 3.16Å; D229-S232 PolarHBondContact O-N 3.4Å; D229-S232 VanDerWaalsContact O-N 3.13Å; D229-S232 WeakPolarHBondContact OD2-CB 3.49Å; D229-S232 PolarHBondContact OD2-N 3.45Å; D229-S232 PolarHBondContact OD2-OG 2.85Å
230	A	90.7	Very high	95.8	Very high	87 Å²	87	31.8 Å²	31.8	72%	0.719	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-31	-179.7	0	0	0	0	0	112.9	R81 S232	R81-A230 PolarHBondContact NH1-O 3.17Å; A230-S232 VanDerWaalsContact C-N 3.35Å
231	A	91.2	Very high	95.9	Very high	19 Å²	19	26.1 Å²	26.1	16%	0.157	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-12.6	-177.4	0	0	0	0	0	113.6	R81 T83 D229	R81-A231 WeakPolarHBondContact CD-O 3.5Å; T83-A231 HydrophobicContact CG2-CB 4.27Å; D229-A231 PolarHBondContact O-N 3.41Å; D229-A231 PolarHBondContact OD1-N 3.14Å; D229-A231 VanDerWaalsContact OD1-N 3.16Å
232	S	95.1	Very high	95.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.149	C	C	.	.			trans	-99.8	142.5	177.1	-64.3	0	0	0	0	111.6	T64 D79 R81 D229 A230	T64-S232 PolarHBondContact N-OG 3.09Å; T64-S232 WeakPolarHBondContact OG1-CB 3.45Å; T64-S232 PolarHBondContact OG1-OG 2.97Å; D79-S232 WeakPolarHBondContact OD2-CA 3.37Å; R81-S232 PolarHBondContact NH1-O 3.46Å; D229-S232 PolarHBondContact O-N 3.4Å; D229-S232 VanDerWaalsContact O-N 3.13Å; D229-S232 WeakPolarHBondContact OD2-CB 3.49Å; D229-S232 PolarHBondContact OD2-N 3.45Å; D229-S232 PolarHBondContact OD2-OG 2.85Å; A230-S232 VanDerWaalsContact C-N 3.35Å
233	G	95.2	Very high	95.8	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.01	18%	0.18	C	C	.	.			trans	167.6	-160.4	-179.4	0	0	0	0	0	115.5	D79 S80 R81 F235	D79-G233 PolarHBondContact OD2-N 2.88Å; D79-G233 VanDerWaalsContact OD2-N 3.09Å; S80-G233 PolarHBondContact N-O 3.35Å; R81-G233 WeakPolarHBondContact CB-O 3.25Å; R81-G233 PolarHBondContact N-O 3.02Å; G233-F235 PolarHBondContact O-N 3.48Å
234	G	95	Very high	95.7	Very high	18 Å²	18	38.7 Å²	38.7	19%	0.186	20%	0.199	C	C	.	.	S	Bend	trans	77.4	-115.6	-178.8	0	0	0	0	0	110.6	G91 V254	G91-G234 WeakPolarHBondContact O-CA 3.5Å; G234-V254 VanDerWaalsContact O-CB 3.24Å; G234-V254 WeakPolarHBondContact O-CB 3.49Å; G234-V254 WeakPolarHBondContact O-CG2 3.47Å; G234-V254 PolarHBondContact O-N 3.5Å; G234-V254 VanDerWaalsContact O-N 3.17Å
235	F	97.3	Very high	95.7	Very high	59 Å²	59	35.9 Å²	35.9	26%	0.259	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	152.8	-179.1	-56.8	-97.3	0	0	0	112.1	D79 S80 G91 T92 G233 I251 Y252 D253	D79-F235 CarbonylContact C-O 3.59Å; D79-F235 VanDerWaalsContact C-O 3.29Å; D79-F235 WeakPolarHBondContact CA-O 3.49Å; S80-F235 WeakPolarHBondContact CB-O 3.33Å; S80-F235 PolarHBondContact N-O 3.41Å; S80-F235 PolarHBondContact OG-O 2.97Å; G91-F235 WeakPolarHBondContact O-CD2 3.38Å; T92-F235 HydrophobicContact CG2-CD2 4.14Å; T92-F235 HydrophobicContact CG2-CE2 3.73Å; G233-F235 PolarHBondContact O-N 3.48Å; F235-I251 HydrophobicContact CB-CG2 3.47Å; F235-I251 VanDerWaalsContact CB-CG2 3.47Å; F235-I251 HydrophobicContact CD1-CG2 3.55Å; F235-I251 HydrophobicContact CE1-CG2 4.49Å; F235-I251 HydrophobicContact CG-CG2 3.64Å; F235-Y252 CarbonylContact C-O 3.49Å; F235-Y252 VanDerWaalsContact CA-O 3.23Å; F235-Y252 WeakPolarHBondContact CA-O 3.43Å; F235-Y252 WeakPolarHBondContact CB-O 3.34Å; F235-D253 HydrophobicContact CD1-CB 3.91Å; F235-D253 HydrophobicContact CE1-CB 3.74Å
236	V	97.9	Very high	95.8	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	113.7	167.1	-172.8	0	0	0	0	108.8	A77 T78 R219 I222 I251 Y252 V254 L257	A77-V236 HydrophobicContact CB-CG1 4.43Å; T78-V236 CarbonylContact O-C 3.57Å; T78-V236 WeakPolarHBondContact O-CA 3.29Å; R219-V236 HydrophobicContact CG-CG1 4.43Å; I222-V236 HydrophobicContact CB-CG1 3.93Å; I222-V236 HydrophobicContact CB-CG2 4.07Å; I222-V236 HydrophobicContact CG1-CG1 4.13Å; I222-V236 HydrophobicContact CG2-CB 4.33Å; I222-V236 HydrophobicContact CG2-CG1 4.03Å; I222-V236 HydrophobicContact CG2-CG2 3.69Å; V236-I251 WeakPolarHBondContact O-CA 3.49Å; V236-Y252 PolarHBondContact N-O 3.38Å; V236-Y252 PolarHBondContact O-N 2.87Å; V236-V254 HydrophobicContact CG2-CG2 3.94Å; V236-L257 HydrophobicContact CB-CD1 4.49Å; V236-L257 HydrophobicContact CG2-CD1 3.71Å
237	N	97.9	Very high	95.9	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.021	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	129.6	169.3	-63.3	-80.7	0	0	0	108.9	A77 T78 S80 I96 Y239 I251	A77-N237 WeakPolarHBondContact CA-O 3.24Å; T78-N237 PolarHBondContact N-O 3.45Å; T78-N237 PolarHBondContact O-N 3.35Å; S80-N237 PolarHBondContact OG-ND2 3.09Å; I96-N237 HydrophobicContact CD1-CB 4.14Å; N237-Y239 HydrophobicContact CB-CE2 4.47Å; N237-I251 WeakPolarHBondContact OD1-CG1 3.5Å
238	L	98.2	Very high	96.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	124.7	-177.9	-169.7	68.9	0	0	0	111.4	I75 A77 Y215 A218 R219 I249 G250 Y252	I75-L238 HydrophobicContact CG2-CD1 3.35Å; I75-L238 HydrophobicContact CG2-CG 4.34Å; A77-L238 HydrophobicContact CB-CD1 3.73Å; Y215-L238 HydrophobicContact CD1-CD2 3.92Å; Y215-L238 HydrophobicContact CG-CD2 3.96Å; A218-L238 HydrophobicContact CB-CD1 3.77Å; R219-L238 HydrophobicContact CG-CD2 4.29Å; L238-I249 HydrophobicContact CB-CB 4.2Å; L238-I249 HydrophobicContact CD2-CB 3.97Å; L238-I249 HydrophobicContact CD2-CG1 4.46Å; L238-I249 HydrophobicContact CD2-CG2 3.76Å; L238-I249 HydrophobicContact CG-CB 4.04Å; L238-I249 HydrophobicContact CG-CG1 4.35Å; L238-I249 HydrophobicContact CG-CG2 4.4Å; L238-I249 WeakPolarHBondContact O-CB 3.28Å; L238-I249 PolarHBondContact O-N 2.66Å; L238-G250 PolarHBondContact N-O 3.33Å; L238-G250 PolarHBondContact O-N 3.44Å; L238-Y252 HydrophobicContact CB-CE2 4.05Å; L238-Y252 HydrophobicContact CD2-CE2 4.08Å
239	Y	98.6	Very high	96.2	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.016	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	147.4	176	-74	-114	0	0	0	109.9	I75 V76 I96 E98 L104 N237 W246 K247 F248	I75-Y239 WeakPolarHBondContact CA-O 3.23Å; V76-Y239 PolarHBondContact N-O 3.36Å; V76-Y239 PolarHBondContact O-N 3.13Å; I96-Y239 HydrophobicContact CB-CD2 4.23Å; I96-Y239 HydrophobicContact CB-CE2 4.11Å; I96-Y239 HydrophobicContact CD1-CD2 3.33Å; I96-Y239 HydrophobicContact CD1-CE2 3.85Å; I96-Y239 HydrophobicContact CD1-CG 4.15Å; I96-Y239 HydrophobicContact CG1-CD2 4.35Å; I96-Y239 HydrophobicContact CG2-CD1 4.44Å; I96-Y239 HydrophobicContact CG2-CD2 4.03Å; I96-Y239 HydrophobicContact CG2-CE2 4.16Å; I96-Y239 HydrophobicContact CG2-CG 4.18Å; E98-Y239 HydrophobicContact CG-CE1 4.33Å; E98-Y239 PolarHBondContact OE1-OH 2.9Å; L104-Y239 HydrophobicContact CD1-CD1 4.09Å; L104-Y239 HydrophobicContact CD1-CG 4.21Å; L104-Y239 HydrophobicContact CD2-CD1 4.33Å; N237-Y239 HydrophobicContact CB-CE2 4.47Å; Y239-W246 HydrophobicContact CD1-CD2 4.31Å; Y239-W246 AromaticContact CD1-CE3 3.72Å; Y239-W246 HydrophobicContact CD1-CE3 3.72Å; Y239-W246 HydrophobicContact CD1-CZ3 4.23Å; Y239-W246 HydrophobicContact CE1-CD2 4.48Å; Y239-W246 AromaticContact CE1-CE3 3.77Å; Y239-W246 HydrophobicContact CE1-CE3 3.77Å; Y239-W246 AromaticContact CE1-CZ3 3.8Å; Y239-W246 HydrophobicContact CE1-CZ3 3.8Å; Y239-K247 CarbonylContact C-O 3.54Å; Y239-K247 WeakPolarHBondContact CA-O 3.48Å; Y239-F248 HydrophobicContact CD1-CB 4.36Å; Y239-F248 HydrophobicContact CD2-CD2 4.08Å; Y239-F248 HydrophobicContact CE1-CB 4.03Å; Y239-F248 HydrophobicContact CE1-CD2 4.03Å; Y239-F248 HydrophobicContact CE1-CG 4.5Å; Y239-F248 AromaticContact CE2-CD2 3.53Å; Y239-F248 HydrophobicContact CE2-CD2 3.53Å; Y239-F248 HydrophobicContact CE2-CE2 4.03Å; Y239-F248 AromaticContact CZ-CD2 3.49Å; Y239-F248 VanDerWaalsContact CZ-CD2 3.49Å
240	H	98.5	Very high	96.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	112.9	175.4	-171.8	171.6	0	0	0	109.6	Y70 G72 V74 I75 D211 Y215 K242 W246 K247 I249	Y70-H240 AromaticContact CE1-NE2 3.81Å; Y70-H240 AromaticContact CZ-CE1 3.97Å; Y70-H240 AromaticContact CZ-NE2 3.85Å; Y70-H240 PolarHBondContact OH-CE1 3.35Å; Y70-H240 PolarHBondContact OH-NE2 3.45Å; Y70-H240 VanDerWaalsContact OH-NE2 3.11Å; G72-H240 PolarHBondContact O-NE2 2.9Å; V74-H240 CarbonylContact O-C 3.53Å; I75-H240 HydrophobicContact CD1-CB 3.85Å; D211-H240 IonicContact OD1-CE1 2.78Å; D211-H240 IonicContact OD2-CE1 2.72Å; D211-H240 PolarHBondContact OD2-CE1 3.42Å; D211-H240 IonicContact OD2-ND1 3.62Å; Y215-H240 HydrophobicContact CE1-CB 3.98Å; Y215-H240 AromaticContact CE1-CG 3.93Å; Y215-H240 AromaticContact CE1-ND1 3.45Å; Y215-H240 WeakPolarHBondContact CE1-ND1 3.37Å; Y215-H240 AromaticContact CZ-ND1 3.52Å; Y215-H240 PolarHBondContact OH-ND1 3.13Å; H240-K242 WeakPolarHBondContact CE1-CE 3.33Å; H240-K242 WeakPolarHBondContact ND1-CE 3.17Å; H240-W246 CarbonylContact O-C 3.53Å; H240-W246 WeakPolarHBondContact O-CA 3.09Å; H240-K247 PolarHBondContact N-O 2.7Å; H240-K247 PolarHBondContact O-N 3.32Å; H240-I249 HydrophobicContact CB-CD1 3.77Å; H240-I249 HydrophobicContact CB-CG1 3.86Å
241	M	98.1	Very high	96.6	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	114.4	170.3	-176.2	61.6	66.2	0	0	110.5	G73 V74 L104 V164 W166 W246	G73-M241 WeakPolarHBondContact CA-O 3.33Å; V74-M241 HydrophobicContact CB-CB 4.11Å; V74-M241 PolarHBondContact N-O 3.46Å; V74-M241 PolarHBondContact O-N 2.89Å; L104-M241 HydrophobicContact CB-CE 4.35Å; L104-M241 HydrophobicContact CD1-CE 3.98Å; L104-M241 HydrophobicContact CG-CE 3.7Å; V164-M241 HydrophobicContact CG1-CB 4.04Å; V164-M241 HydrophobicContact CG1-CG 4.24Å; W166-M241 HydrophobicContact CB-CG 4.21Å; W166-M241 HydrophobicContact CB-SD 4.18Å; M241-W246 HydrophobicContact CE-CB 3.69Å; M241-W246 HydrophobicContact CE-CG 4.37Å; M241-W246 HydrophobicContact SD-CB 4.21Å
242	K	96.7	Very high	96.9	Very high	52 Å²	52	38.2 Å²	38.2	23%	0.226	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	177.2	174.4	-68.8	-164.8	174.7	-163.5	0	110.8	W166 D211 H240 D244 G245 K247	W166-K242 WeakPolarHBondContact CB-O 3.48Å; W166-K242 VanDerWaalsContact CE3-C 3.42Å; D211-K242 WeakPolarHBondContact OD2-CE 3.03Å; D211-K242 IonicContact OD2-NZ 3.4Å; D211-K242 PolarHBondContact OD2-NZ 3.3Å; H240-K242 WeakPolarHBondContact CE1-CE 3.33Å; H240-K242 WeakPolarHBondContact ND1-CE 3.17Å; K242-D244 VanDerWaalsContact C-N 3.26Å; K242-D244 VanDerWaalsContact CB-OD1 3.25Å; K242-D244 WeakPolarHBondContact CB-OD1 3.43Å; K242-D244 PolarHBondContact O-N 2.83Å; K242-G245 PolarHBondContact N-O 2.96Å; K242-G245 PolarHBondContact O-N 2.93Å; K242-G245 VanDerWaalsContact O-N 3.08Å; K242-K247 HydrophobicContact CD-CD 4.42Å
243	E	95.3	Very high	97	Very high	141 Å²	141	41.1 Å²	41.1	66%	0.659	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-35.8	175.7	-176.6	169.9	-161.3	0	0	113.7	Y102 W166 G245	Y102-E243 WeakPolarHBondContact CE1-O 3.47Å; W166-E243 VanDerWaalsContact CD2-CA 3.44Å; W166-E243 HydrophobicContact CD2-CB 4.07Å; W166-E243 VanDerWaalsContact CE2-CA 3.48Å; W166-E243 HydrophobicContact CH2-CB 4.29Å; W166-E243 HydrophobicContact CZ2-CB 3.71Å; W166-E243 HydrophobicContact CZ2-CG 4.21Å; E243-G245 VanDerWaalsContact C-N 3.27Å; E243-G245 PolarHBondContact O-N 2.99Å
244	D	94.8	Very high	97	Very high	75 Å²	75	42.1 Å²	42.1	40%	0.401	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-3.7	178.7	64.7	-28.9	0	0	0	113.9	K101 Y102 K242 K247	K101-D244 WeakPolarHBondContact CE-O 3.45Å; Y102-D244 VanDerWaalsContact CE1-C 3.44Å; Y102-D244 WeakPolarHBondContact CE1-O 3.32Å; K242-D244 VanDerWaalsContact C-N 3.26Å; K242-D244 VanDerWaalsContact CB-OD1 3.25Å; K242-D244 WeakPolarHBondContact CB-OD1 3.43Å; K242-D244 PolarHBondContact O-N 2.83Å; D244-K247 WeakPolarHBondContact OD1-CE 3.29Å; D244-K247 IonicContact OD1-NZ 3.74Å; D244-K247 PolarHBondContact OD1-NZ 3.35Å; D244-K247 WeakPolarHBondContact OD2-CE 3.14Å; D244-K247 IonicContact OD2-NZ 2.68Å; D244-K247 PolarHBondContact OD2-NZ 2.75Å
245	G	95.8	Very high	96.9	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	123.2	-173.6	-179.9	0	0	0	0	0	112.6	K101 K242 E243	K101-G245 CarbonylContact O-C 3.6Å; K101-G245 WeakPolarHBondContact O-CA 3.33Å; K242-G245 PolarHBondContact N-O 2.96Å; K242-G245 PolarHBondContact O-N 2.93Å; K242-G245 VanDerWaalsContact O-N 3.08Å; E243-G245 VanDerWaalsContact C-N 3.27Å; E243-G245 PolarHBondContact O-N 2.99Å
246	W	97.6	Very high	96.8	Very high	64 Å²	64	46.9 Å²	46.9	24%	0.242	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	147.6	173.9	60.3	-100.6	0	0	0	112.3	E98 N100 K101 L104 Y239 H240 M241 F248	E98-W246 HydrophobicContact CB-CZ2 4.02Å; E98-W246 HydrophobicContact CG-CH2 3.98Å; E98-W246 HydrophobicContact CG-CZ2 3.58Å; E98-W246 WeakPolarHBondContact OE1-CH2 3.28Å; E98-W246 VanDerWaalsContact OE2-CH2 3.32Å; E98-W246 WeakPolarHBondContact OE2-CH2 3.49Å; E98-W246 WeakPolarHBondContact OE2-CZ2 3.48Å; N100-W246 VanDerWaalsContact O-CD1 3.23Å; N100-W246 PolarHBondContact O-NE1 3.07Å; K101-W246 PolarHBondContact O-N 2.94Å; L104-W246 HydrophobicContact CD1-CB 3.79Å; L104-W246 HydrophobicContact CD1-CG 4.26Å; L104-W246 HydrophobicContact CD2-CB 4.2Å; L104-W246 HydrophobicContact CD2-CD2 4.17Å; L104-W246 HydrophobicContact CD2-CG 3.75Å; L104-W246 HydrophobicContact CG-CB 4.04Å; L104-W246 HydrophobicContact CG-CG 4.08Å; Y239-W246 HydrophobicContact CD1-CD2 4.31Å; Y239-W246 AromaticContact CD1-CE3 3.72Å; Y239-W246 HydrophobicContact CD1-CE3 3.72Å; Y239-W246 HydrophobicContact CD1-CZ3 4.23Å; Y239-W246 HydrophobicContact CE1-CD2 4.48Å; Y239-W246 AromaticContact CE1-CE3 3.77Å; Y239-W246 HydrophobicContact CE1-CE3 3.77Å; Y239-W246 AromaticContact CE1-CZ3 3.8Å; Y239-W246 HydrophobicContact CE1-CZ3 3.8Å; H240-W246 CarbonylContact O-C 3.53Å; H240-W246 WeakPolarHBondContact O-CA 3.09Å; M241-W246 HydrophobicContact CE-CB 3.69Å; M241-W246 HydrophobicContact CE-CG 4.37Å; M241-W246 HydrophobicContact SD-CB 4.21Å; W246-F248 HydrophobicContact CZ3-CB 4.23Å
247	K	97.9	Very high	96.6	Very high	87 Å²	87	47.3 Å²	47.3	38%	0.378	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	127	172.4	-65.8	-179	-178.4	171.7	0	108.5	Y239 H240 K242 D244 I249	Y239-K247 CarbonylContact C-O 3.54Å; Y239-K247 WeakPolarHBondContact CA-O 3.48Å; H240-K247 PolarHBondContact N-O 2.7Å; H240-K247 PolarHBondContact O-N 3.32Å; K242-K247 HydrophobicContact CD-CD 4.42Å; D244-K247 WeakPolarHBondContact OD1-CE 3.29Å; D244-K247 IonicContact OD1-NZ 3.74Å; D244-K247 PolarHBondContact OD1-NZ 3.35Å; D244-K247 WeakPolarHBondContact OD2-CE 3.14Å; D244-K247 IonicContact OD2-NZ 2.68Å; D244-K247 PolarHBondContact OD2-NZ 2.75Å; K247-I249 HydrophobicContact CB-CD1 4.39Å; K247-I249 PolarHBondContact O-N 3.33Å
248	F	97.5	Very high	96.4	Very high	92 Å²	92	51.1 Å²	51.1	40%	0.404	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	121	170.2	172.9	-110.7	0	0	0	108.8	Y239 W246 I251	Y239-F248 HydrophobicContact CD1-CB 4.36Å; Y239-F248 HydrophobicContact CD2-CD2 4.08Å; Y239-F248 HydrophobicContact CE1-CB 4.03Å; Y239-F248 HydrophobicContact CE1-CD2 4.03Å; Y239-F248 HydrophobicContact CE1-CG 4.5Å; Y239-F248 AromaticContact CE2-CD2 3.53Å; Y239-F248 HydrophobicContact CE2-CD2 3.53Å; Y239-F248 HydrophobicContact CE2-CE2 4.03Å; Y239-F248 AromaticContact CZ-CD2 3.49Å; Y239-F248 VanDerWaalsContact CZ-CD2 3.49Å; W246-F248 HydrophobicContact CZ3-CB 4.23Å; F248-I251 HydrophobicContact CE2-CD1 4.24Å; F248-I251 HydrophobicContact CE2-CG1 3.91Å; F248-I251 HydrophobicContact CZ-CB 4.47Å; F248-I251 HydrophobicContact CZ-CD1 3.74Å; F248-I251 HydrophobicContact CZ-CG1 3.64Å
249	I	97.2	Very high	96.1	Very high	50 Å²	50	59.2 Å²	59.2	26%	0.256	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-43.4	-176.6	-55.9	-57.5	0	0	0	110.7	Y215 L238 H240 K247	Y215-I249 HydrophobicContact CD1-CG1 4.41Å; Y215-I249 HydrophobicContact CD2-CG2 4.27Å; Y215-I249 HydrophobicContact CE1-CD1 4Å; Y215-I249 HydrophobicContact CE1-CG1 3.87Å; Y215-I249 HydrophobicContact CE2-CD1 4.37Å; Y215-I249 HydrophobicContact CE2-CG2 4.28Å; Y215-I249 HydrophobicContact CG-CG2 4.44Å; Y215-I249 WeakPolarHBondContact OH-CD1 3.16Å; L238-I249 HydrophobicContact CB-CB 4.2Å; L238-I249 HydrophobicContact CD2-CB 3.97Å; L238-I249 HydrophobicContact CD2-CG1 4.46Å; L238-I249 HydrophobicContact CD2-CG2 3.76Å; L238-I249 HydrophobicContact CG-CB 4.04Å; L238-I249 HydrophobicContact CG-CG1 4.35Å; L238-I249 HydrophobicContact CG-CG2 4.4Å; L238-I249 WeakPolarHBondContact O-CB 3.28Å; L238-I249 PolarHBondContact O-N 2.66Å; H240-I249 HydrophobicContact CB-CD1 3.77Å; H240-I249 HydrophobicContact CB-CG1 3.86Å; K247-I249 HydrophobicContact CB-CD1 4.39Å; K247-I249 PolarHBondContact O-N 3.33Å
250	G	96.3	Very high	95.8	Very high	10 Å²	10	63.1 Å²	63.1	10%	0.103	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.7	172.8	178.1	0	0	0	0	0	114.6	L238	L238-G250 PolarHBondContact N-O 3.33Å; L238-G250 PolarHBondContact O-N 3.44Å
251	I	97.4	Very high	95.4	Very high	80 Å²	80	64 Å²	64	41%	0.41	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	126.9	170.7	-72.4	157.9	0	0	0	106.6	F235 V236 N237 F248	F235-I251 HydrophobicContact CB-CG2 3.47Å; F235-I251 VanDerWaalsContact CB-CG2 3.47Å; F235-I251 HydrophobicContact CD1-CG2 3.55Å; F235-I251 HydrophobicContact CE1-CG2 4.49Å; F235-I251 HydrophobicContact CG-CG2 3.64Å; V236-I251 WeakPolarHBondContact O-CA 3.49Å; N237-I251 WeakPolarHBondContact OD1-CG1 3.5Å; F248-I251 HydrophobicContact CE2-CD1 4.24Å; F248-I251 HydrophobicContact CE2-CG1 3.91Å; F248-I251 HydrophobicContact CZ-CB 4.47Å; F248-I251 HydrophobicContact CZ-CD1 3.74Å; F248-I251 HydrophobicContact CZ-CG1 3.64Å
252	Y	97.6	Very high	94.7	Very high	65 Å²	65	69.4 Å²	69.4	26%	0.255	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	128	-176.6	-55.2	-85.7	0	0	0	110.4	R219 F235 V236 L238 V254	R219-Y252 HydrophobicContact CG-CD2 3.99Å; R219-Y252 HydrophobicContact CG-CE2 4.16Å; R219-Y252 PolarHBondContact NH1-OH 3.42Å; F235-Y252 CarbonylContact C-O 3.49Å; F235-Y252 VanDerWaalsContact CA-O 3.23Å; F235-Y252 WeakPolarHBondContact CA-O 3.43Å; F235-Y252 WeakPolarHBondContact CB-O 3.34Å; V236-Y252 PolarHBondContact N-O 3.38Å; V236-Y252 PolarHBondContact O-N 2.87Å; L238-Y252 HydrophobicContact CB-CE2 4.05Å; L238-Y252 HydrophobicContact CD2-CE2 4.08Å; Y252-V254 PolarHBondContact O-N 2.99Å
253	D	96.7	Very high	93.7	Very high	60 Å²	60	71.7 Å²	71.7	32%	0.321	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	126.2	177.1	-165.9	-41.9	0	0	0	110	F235 G255 E256 L257	F235-D253 HydrophobicContact CD1-CB 3.91Å; F235-D253 HydrophobicContact CE1-CB 3.74Å; D253-G255 PolarHBondContact O-N 2.94Å; D253-G255 WeakPolarHBondContact OD1-CA 3.37Å; D253-G255 PolarHBondContact OD1-N 3.36Å; D253-E256 HydrophobicContact CB-CB 4.23Å; D253-E256 HydrophobicContact CB-CG 4.02Å; D253-E256 PolarHBondContact O-N 3.22Å; D253-L257 WeakPolarHBondContact O-CG 3.37Å; D253-L257 PolarHBondContact O-N 2.75Å
254	V	94.9	Very high	91.9	Very high	22 Å²	22	75.4 Å²	75.4	13%	0.133	36%	0.364	C	S	.	.	H	α-helix	trans	-61.2	-32.9	177.6	166.8	0	0	0	0	111.7	F223 T226 G234 V236 Y252 L257 Y258	F223-V254 HydrophobicContact CD2-CG1 4.1Å; F223-V254 HydrophobicContact CE2-CG1 4.45Å; T226-V254 HydrophobicContact CG2-CG2 3.96Å; T226-V254 WeakPolarHBondContact OG1-CG1 3.35Å; G234-V254 VanDerWaalsContact O-CB 3.24Å; G234-V254 WeakPolarHBondContact O-CB 3.49Å; G234-V254 WeakPolarHBondContact O-CG2 3.47Å; G234-V254 PolarHBondContact O-N 3.5Å; G234-V254 VanDerWaalsContact O-N 3.17Å; V236-V254 HydrophobicContact CG2-CG2 3.94Å; Y252-V254 PolarHBondContact O-N 2.99Å; V254-L257 PolarHBondContact O-N 3.32Å; V254-Y258 PolarHBondContact O-N 3.46Å
255	G	92.9	Very high	91.8	Very high	35 Å²	35	75.5 Å²	75.5	36%	0.361	36%	0.362	S	S	.	.	H	α-helix	trans	-64.4	-42.7	175.7	0	0	0	0	0	112.3	D253 Y258 Y259	D253-G255 PolarHBondContact O-N 2.94Å; D253-G255 WeakPolarHBondContact OD1-CA 3.37Å; D253-G255 PolarHBondContact OD1-N 3.36Å; G255-Y258 WeakPolarHBondContact O-CB 2.96Å; G255-Y258 PolarHBondContact O-N 2.64Å; G255-Y259 WeakPolarHBondContact O-CD2 3.37Å; G255-Y259 PolarHBondContact O-N 3.42Å
256	E	94.5	Very high	91.5	Very high	143 Å²	143	79.4 Å²	79.4	67%	0.668	38%	0.381	S	S	*	.	H	α-helix	trans	-67.2	-40	173.9	-67.2	-175.2	168.3	0	0	111.7	D253 Y258 Y259 K260	D253-E256 HydrophobicContact CB-CB 4.23Å; D253-E256 HydrophobicContact CB-CG 4.02Å; D253-E256 PolarHBondContact O-N 3.22Å; E256-Y258 VanDerWaalsContact C-N 3.25Å; E256-Y258 PolarHBondContact O-N 2.89Å; E256-Y259 PolarHBondContact O-N 3.3Å; E256-K260 PolarHBondContact O-N 3.27Å
257	L	94.8	Very high	91.2	Very high	8 Å²	8	80.2 Å²	80.2	4%	0.042	39%	0.388	C	S	.	.	H	α-helix	trans	-61.6	-34.1	174.1	-69	178.4	0	0	0	112	F223 V236 D253 V254 K260 Y261	F223-L257 HydrophobicContact CB-CD1 4.32Å; F223-L257 HydrophobicContact CD2-CB 3.73Å; F223-L257 HydrophobicContact CE2-CB 4.34Å; F223-L257 HydrophobicContact CG-CB 4.27Å; V236-L257 HydrophobicContact CB-CD1 4.49Å; V236-L257 HydrophobicContact CG2-CD1 3.71Å; D253-L257 WeakPolarHBondContact O-CG 3.37Å; D253-L257 PolarHBondContact O-N 2.75Å; V254-L257 PolarHBondContact O-N 3.32Å; L257-K260 HydrophobicContact CD2-CD 4.18Å; L257-K260 PolarHBondContact O-N 3.28Å; L257-Y261 HydrophobicContact CB-CD2 4.03Å; L257-Y261 HydrophobicContact CB-CE2 3.86Å; L257-Y261 HydrophobicContact CD1-CE2 4.46Å; L257-Y261 HydrophobicContact CD2-CE2 3.93Å; L257-Y261 HydrophobicContact CG-CE2 4.3Å; L257-Y261 WeakPolarHBondContact O-CB 3.32Å; L257-Y261 WeakPolarHBondContact O-CD2 3.15Å; L257-Y261 PolarHBondContact O-N 3.37Å
258	Y	93.1	Very high	90.8	Very high	84 Å²	84	79.8 Å²	79.8	33%	0.329	39%	0.389	S	S	.	.	H	α-helix	trans	-57.6	-51.9	174.5	-178.5	-95.1	0	0	0	111.3	F223 H227 V254 G255 E256 K260 Y261 M262	F223-Y258 HydrophobicContact CE2-CD2 4.13Å; F223-Y258 HydrophobicContact CE2-CG 4.43Å; F223-Y258 AromaticContact CZ-CD2 3.85Å; F223-Y258 HydrophobicContact CZ-CD2 3.85Å; F223-Y258 HydrophobicContact CZ-CG 4.41Å; H227-Y258 AromaticContact CE1-CE2 3.6Å; H227-Y258 AromaticContact ND1-CD2 3.95Å; H227-Y258 AromaticContact ND1-CE2 3.84Å; V254-Y258 PolarHBondContact O-N 3.46Å; G255-Y258 WeakPolarHBondContact O-CB 2.96Å; G255-Y258 PolarHBondContact O-N 2.64Å; E256-Y258 VanDerWaalsContact C-N 3.25Å; E256-Y258 PolarHBondContact O-N 2.89Å; Y258-K260 VanDerWaalsContact C-N 3.35Å; Y258-K260 PolarHBondContact O-N 3.04Å; Y258-Y261 PolarHBondContact O-N 3.02Å; Y258-M262 HydrophobicContact CD1-CG 4.25Å; Y258-M262 HydrophobicContact CD2-CG 3.93Å; Y258-M262 HydrophobicContact CE1-CB 4.46Å; Y258-M262 HydrophobicContact CE1-CG 3.99Å; Y258-M262 HydrophobicContact CE2-CG 3.63Å; Y258-M262 HydrophobicContact CE2-SD 4.3Å; Y258-M262 HydrophobicContact CG-CG 4.22Å; Y258-M262 VanDerWaalsContact O-CB 3.26Å; Y258-M262 WeakPolarHBondContact O-CB 3.26Å; Y258-M262 VanDerWaalsContact O-CG 3.22Å; Y258-M262 WeakPolarHBondContact O-CG 3.17Å; Y258-M262 PolarHBondContact O-N 3.46Å
259	Y	92.2	Very high	90.4	Very high	171 Å²	171	79.1 Å²	79.1	67%	0.671	39%	0.388	S	S	*	.	H	α-helix	trans	-64.5	-40.4	178.2	-65.2	-68.5	0	0	0	111.8	G255 E256 Y261 S263	G255-Y259 WeakPolarHBondContact O-CD2 3.37Å; G255-Y259 PolarHBondContact O-N 3.42Å; E256-Y259 PolarHBondContact O-N 3.3Å; Y259-Y261 VanDerWaalsContact C-N 3.3Å; Y259-Y261 PolarHBondContact O-N 3.36Å; Y259-S263 WeakPolarHBondContact O-CB 3.08Å; Y259-S263 PolarHBondContact O-N 3.44Å; Y259-S263 PolarHBondContact O-OG 3Å; Y259-S263 VanDerWaalsContact O-OG 3.08Å
260	K	91.6	Very high	89.9	Confident	86 Å²	86	81 Å²	81	37%	0.374	40%	0.397	S	S	.	.	H	α-helix	trans	-59.5	-38.5	176.4	-175.4	-171.7	177	-164.1	0	112.9	E216 E256 L257 Y258	E216-K260 IonicContact OE1-NZ 3.04Å; E216-K260 IonicContact OE2-NZ 3.42Å; E216-K260 PolarHBondContact OE2-NZ 2.88Å; E256-K260 PolarHBondContact O-N 3.27Å; L257-K260 HydrophobicContact CD2-CD 4.18Å; L257-K260 PolarHBondContact O-N 3.28Å; Y258-K260 VanDerWaalsContact C-N 3.35Å; Y258-K260 PolarHBondContact O-N 3.04Å
261	Y	90.9	Very high	89.5	Confident	18 Å²	18	86.1 Å²	86.1	7%	0.071	42%	0.418	C	S	.	.	H	α-helix	trans	-91	-26.6	-175.1	-66.3	-41.2	0	0	0	114.3	E216 R220 F223 L257 Y258 Y259	E216-Y261 WeakPolarHBondContact OE1-CE1 3.22Å; E216-Y261 PolarHBondContact OE1-OH 3.3Å; R220-Y261 HydrophobicContact CB-CE2 4.37Å; R220-Y261 HydrophobicContact CG-CE2 4.5Å; F223-Y261 HydrophobicContact CB-CD2 4.14Å; F223-Y261 HydrophobicContact CB-CE2 3.9Å; F223-Y261 AromaticContact CD1-CD2 3.28Å; F223-Y261 HydrophobicContact CD1-CD2 3.28Å; F223-Y261 AromaticContact CD1-CE2 3.89Å; F223-Y261 HydrophobicContact CD1-CE2 3.89Å; F223-Y261 HydrophobicContact CD1-CG 4.19Å; F223-Y261 HydrophobicContact CD2-CD2 4.05Å; F223-Y261 HydrophobicContact CD2-CE2 4.48Å; F223-Y261 AromaticContact CE1-CD2 3.62Å; F223-Y261 HydrophobicContact CE1-CD2 3.62Å; F223-Y261 HydrophobicContact CE1-CG 4.19Å; F223-Y261 HydrophobicContact CE2-CD2 4.35Å; F223-Y261 AromaticContact CG-CD2 3.52Å; F223-Y261 HydrophobicContact CG-CD2 3.52Å; F223-Y261 AromaticContact CG-CE2 3.8Å; F223-Y261 HydrophobicContact CG-CE2 3.8Å; F223-Y261 HydrophobicContact CZ-CD2 4.15Å; L257-Y261 HydrophobicContact CB-CD2 4.03Å; L257-Y261 HydrophobicContact CB-CE2 3.86Å; L257-Y261 HydrophobicContact CD1-CE2 4.46Å; L257-Y261 HydrophobicContact CD2-CE2 3.93Å; L257-Y261 HydrophobicContact CG-CE2 4.3Å; L257-Y261 WeakPolarHBondContact O-CB 3.32Å; L257-Y261 WeakPolarHBondContact O-CD2 3.15Å; L257-Y261 PolarHBondContact O-N 3.37Å; Y258-Y261 PolarHBondContact O-N 3.02Å; Y259-Y261 VanDerWaalsContact C-N 3.3Å; Y259-Y261 PolarHBondContact O-N 3.36Å
262	M	83.4	Confident	88.9	Confident	114 Å²	114	86.5 Å²	86.5	56%	0.562	42%	0.418	S	S	*	.	H	α-helix	trans	-88.9	-17.5	177.1	-64.1	-63.2	-66.2	0	0	113.2	Y258 K264	Y258-M262 HydrophobicContact CD1-CG 4.25Å; Y258-M262 HydrophobicContact CD2-CG 3.93Å; Y258-M262 HydrophobicContact CE1-CB 4.46Å; Y258-M262 HydrophobicContact CE1-CG 3.99Å; Y258-M262 HydrophobicContact CE2-CG 3.63Å; Y258-M262 HydrophobicContact CE2-SD 4.3Å; Y258-M262 HydrophobicContact CG-CG 4.22Å; Y258-M262 VanDerWaalsContact O-CB 3.26Å; Y258-M262 WeakPolarHBondContact O-CB 3.26Å; Y258-M262 VanDerWaalsContact O-CG 3.22Å; Y258-M262 WeakPolarHBondContact O-CG 3.17Å; Y258-M262 PolarHBondContact O-N 3.46Å; M262-K264 PolarHBondContact O-N 3.08Å
263	S	76.1	Confident	88.2	Confident	100 Å²	100	88.3 Å²	88.3	70%	0.699	43%	0.432	S	S	*	.			trans	-79.1	-2.5	175.3	72.6	0	0	0	0	114	Y259	Y259-S263 WeakPolarHBondContact O-CB 3.08Å; Y259-S263 PolarHBondContact O-N 3.44Å; Y259-S263 PolarHBondContact O-OG 3Å; Y259-S263 VanDerWaalsContact O-OG 3.08Å
264	K	56.8	Low	87.4	Confident	219 Å²	219	90.9 Å²	90.9	95%	0.952	44%	0.442	S	S	*	.			trans	-101.7	0	176.8	-73.5	-172.5	176	-174.2	0	110	M262	M262-K264 PolarHBondContact O-N 3.08Å

Retrieved 264 of 264 residues in 54.5 ms (Link to these results)

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