A0A087Y2R4_POEFO Loading...

inorganic diphosphatase

AlphaFold DB , UniProt , Accession A0A087Y2R4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 302 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.9	Very low	33	Very low	238 Å²	238	160.5 Å²	160.5	100%	1.172	83%	0.833	S	S	*	*				0	117.5	0	-68.8	161.5	171	0	0	106.3
2	R	30.7	Very low	32.7	Very low	243 Å²	243	156.5 Å²	156.5	92%	0.917	83%	0.826	S	S	*	*				49.8	129.3	88.8	-77.4	-168.5	178.1	-168.5	0.7	112.9
3	S	30.8	Very low	32.6	Very low	85 Å²	85	155.7 Å²	155.7	59%	0.594	82%	0.822	S	S	*	*			cis	-175.6	156.9	-6	45.2	0	0	0	0	112.1
4	Q	34.6	Very low	32.4	Very low	169 Å²	169	154.9 Å²	154.9	79%	0.79	82%	0.817	S	S	*	*			trans	65	135.7	147.4	-70.4	157.6	-11.3	0	0	118.9
5	L	35	Very low	32.6	Very low	146 Å²	146	151.9 Å²	151.9	76%	0.764	81%	0.808	S	S	*	*			cis	83.2	116.5	42.3	-84.3	166.4	0	0	0	116
6	L	32.9	Very low	32.7	Very low	165 Å²	165	151.6 Å²	151.6	86%	0.864	81%	0.812	S	S	*	*			trans	-165.2	122.4	146.1	-95	138	0	0	0	105
7	R	30.7	Very low	32.6	Very low	219 Å²	219	154.9 Å²	154.9	83%	0.826	82%	0.818	S	S	*	*				51.5	135.5	54.3	-69.3	-168.6	173.8	-155.4	0.1	111.8
8	S	31.1	Very low	32.5	Very low	110 Å²	110	150.2 Å²	150.2	77%	0.769	81%	0.814	S	S	*	*			cis	-166.1	-176.5	-2.4	42.4	0	0	0	0	107.4
9	S	33.5	Very low	33.1	Very low	107 Å²	107	148.3 Å²	148.3	75%	0.748	81%	0.809	S	S	*	*			cis	-162.4	-164.6	22.2	-154.5	0	0	0	0	113.5
10	F	30.7	Very low	33	Very low	205 Å²	205	151 Å²	151	90%	0.899	81%	0.813	S	S	*	*			trans	-68.2	161.3	177.4	-77	-111.6	0	0	0	117.4
11	G	30.8	Very low	33.5	Very low	79 Å²	79	149.8 Å²	149.8	81%	0.814	81%	0.813	S	S	*	*			trans	-172.8	132.7	157.3	0	0	0	0	0	111.3
12	C	29.8	Very low	33.2	Very low	112 Å²	112	142.9 Å²	142.9	76%	0.757	80%	0.795	S	S	*	*			trans	-150.3	164.6	-166.9	-174	0	0	0	0	112.2
13	L	31.1	Very low	33.2	Very low	146 Å²	146	136.6 Å²	136.6	76%	0.764	79%	0.788	S	S	*	*			trans	69.8	154.3	174.9	-60.1	112.2	0	0	0	114.5
14	L	30.3	Very low	33.3	Very low	145 Å²	145	138.6 Å²	138.6	76%	0.759	80%	0.8	S	S	*	*			cis	-155.1	169.3	3.6	-127.5	161	0	0	0	111.6
15	T	35.5	Very low	33.5	Very low	110 Å²	110	137.3 Å²	137.3	68%	0.675	80%	0.797	S	S	*	*			trans	-83.1	152.1	178.3	51.3	0	0	0	0	114.8
16	V	33.8	Very low	33.5	Very low	146 Å²	146	138.2 Å²	138.2	89%	0.885	80%	0.803	S	S	*	*			trans	-144.5	140.5	151.7	-175.8	0	0	0	0	110.9
17	F	31.6	Very low	33.7	Very low	208 Å²	208	139.4 Å²	139.4	91%	0.912	80%	0.801	S	S	*	*			trans	-101.4	152.7	173.2	-91.6	-97.6	0	0	0	111.7
18	G	30.7	Very low	33.9	Very low	71 Å²	71	133.6 Å²	133.6	73%	0.732	80%	0.8	S	S	*	*			trans	-177.4	149.3	164.9	0	0	0	0	0	113.9
19	P	44.1	Very low	34	Very low	113 Å²	113	134.9 Å²	134.9	73%	0.734	80%	0.803	S	S	*	*			trans	-134	163.7	-149.7	41.8	-25	0	0	0	119.1
20	F	31.3	Very low	34.1	Very low	202 Å²	202	140.8 Å²	140.8	89%	0.886	81%	0.809	S	S	*	*			trans	64.5	165.4	159.3	-73.9	-60.5	0	0	0	118.7
21	P	43	Very low	34.2	Very low	126 Å²	126	140.2 Å²	140.2	82%	0.818	81%	0.809	S	S	*	*			cis	-125.8	-174.4	9.2	41.7	-24.9	0	0	0	116.5
22	A	34.3	Very low	34.3	Very low	94 Å²	94	142.5 Å²	142.5	78%	0.777	81%	0.807	S	S	*	*			trans	-89.7	162.3	-172.7	0	0	0	0	0	115.3
23	S	32.4	Very low	34.7	Very low	110 Å²	110	142 Å²	142	77%	0.769	81%	0.811	S	S	*	*			trans	-145.1	144.5	151.5	72.5	0	0	0	0	111.6
24	C	31.4	Very low	34.9	Very low	128 Å²	128	139.5 Å²	139.5	87%	0.865	81%	0.812	S	S	*	*			trans	-89.2	132.9	-175.4	-57.3	0	0	0	0	111.3
25	I	40.3	Very low	35.3	Very low	142 Å²	142	137.2 Å²	137.2	73%	0.728	81%	0.813	S	S	*	*			trans	-134.6	114.5	164	-59.5	-177.7	0	0	0	109.5	K27	I25-K27 PolarHBondContact O-N 3.43Å
26	N	34.9	Very low	35.3	Very low	165 Å²	165	137.9 Å²	137.9	88%	0.882	82%	0.817	S	S	*	*			trans	-63.5	126.5	168.5	-73.8	-28.9	0	0	0	110.1
27	K	37.3	Very low	35.3	Very low	190 Å²	190	136.5 Å²	136.5	83%	0.826	81%	0.811	S	S	*	*			trans	-130.4	134.1	161.3	-84.6	-174	175.6	176.5	0	110.5	I25	I25-K27 PolarHBondContact O-N 3.43Å
28	A	34.4	Very low	35.4	Very low	97 Å²	97	134.8 Å²	134.8	80%	0.802	81%	0.806	S	S	*	*			trans	-64.1	139.7	-173.1	0	0	0	0	0	112.5	R30	A28-R30 PolarHBondContact O-N 2.77Å; A28-R30 VanDerWaalsContact O-N 3.15Å
29	V	33.2	Very low	35.4	Very low	137 Å²	137	135.3 Å²	135.3	83%	0.83	80%	0.798	S	S	*	*			trans	-72	104.6	170.4	179.2	0	0	0	0	108.6
30	R	35.9	Very low	34.9	Very low	230 Å²	230	138.3 Å²	138.3	87%	0.868	80%	0.796	S	S	*	*			trans	-85.2	117.8	157.5	-83.5	-174	170	-172.6	-3.4	107.9	A28 T32	A28-R30 PolarHBondContact O-N 2.77Å; A28-R30 VanDerWaalsContact O-N 3.15Å; R30-T32 PolarHBondContact O-N 3.04Å; R30-T32 VanDerWaalsContact O-N 3.09Å
31	Q	32.6	Very low	35.1	Very low	193 Å²	193	138.1 Å²	138.1	90%	0.902	79%	0.791	S	S	*	*			trans	-66.3	105.2	165.5	-76.5	176	-27.3	0	0	108.7
32	T	33.4	Very low	34.8	Very low	128 Å²	128	137.7 Å²	137.7	79%	0.785	79%	0.788	S	S	*	*			trans	-81	111.1	161.9	48.4	0	0	0	0	107.9	R30 A34	R30-T32 PolarHBondContact O-N 3.04Å; R30-T32 VanDerWaalsContact O-N 3.09Å; T32-A34 PolarHBondContact O-N 2.8Å
33	A	37.8	Very low	35.2	Very low	100 Å²	100	142.2 Å²	142.2	83%	0.826	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-58.8	125	167.7	0	0	0	0	0	108.7	A35	A33-A35 PolarHBondContact O-N 3.23Å
34	A	35.8	Very low	35.6	Very low	95 Å²	95	143.6 Å²	143.6	79%	0.785	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-69.9	117.8	175.8	0	0	0	0	0	108.7	T32 V36	T32-A34 PolarHBondContact O-N 2.8Å; A34-V36 PolarHBondContact O-N 2.58Å
35	A	38.7	Very low	36.5	Very low	96 Å²	96	141.1 Å²	141.1	79%	0.793	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-65.2	118	170.4	0	0	0	0	0	108.5	A33	A33-A35 PolarHBondContact O-N 3.23Å
36	V	35	Very low	37.3	Very low	124 Å²	124	140 Å²	140	75%	0.752	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-65.7	123.9	171.3	-179.6	0	0	0	0	107.2	A34 H38	A34-V36 PolarHBondContact O-N 2.58Å; V36-H38 PolarHBondContact O-N 3.44Å
37	P	33.7	Very low	39.5	Very low	118 Å²	118	138 Å²	138	77%	0.766	74%	0.736	S	S	*	*			trans	-66.7	109.7	176.4	27	-32.4	0	0	0	108.5	S39	P37-S39 PolarHBondContact O-N 3.24Å
38	H	33.4	Very low	42.2	Very low	171 Å²	171	131.1 Å²	131.1	79%	0.792	71%	0.706	S	S	*	*			trans	-61	121.3	166.5	-118	59.2	0	0	0	107.7	V36 Y40	V36-H38 PolarHBondContact O-N 3.44Å; H38-Y40 PolarHBondContact O-N 3.36Å
39	S	31.2	Very low	45.1	Very low	82 Å²	82	131.6 Å²	131.6	57%	0.573	69%	0.691	S	S	*	*			trans	-67.3	103.9	176.7	53.3	0	0	0	0	109	P37 Y41	P37-S39 PolarHBondContact O-N 3.24Å; S39-Y41 VanDerWaalsContact C-N 3.28Å; S39-Y41 PolarHBondContact O-N 2.96Å; S39-Y41 WeakPolarHBondContact OG-CE2 3.41Å
40	Y	33.3	Very low	48.1	Very low	177 Å²	177	128.1 Å²	128.1	69%	0.694	67%	0.67	S	S	*	*			trans	-62.9	94.2	164	-91	-105.3	0	0	0	108.3	H38 P42 D90	H38-Y40 PolarHBondContact O-N 3.36Å; Y40-P42 WeakPolarHBondContact O-CD 3.49Å; Y40-D90 PolarHBondContact OH-OD1 3.01Å; Y40-D90 PolarHBondContact OH-OD2 3.17Å
41	Y	35.2	Very low	51.1	Low	197 Å²	197	118.8 Å²	118.8	77%	0.773	64%	0.637	S	S	*	*			trans	-74.2	115.5	155.9	-74.8	-82.8	0	0	0	106.6	S39 R43	S39-Y41 VanDerWaalsContact C-N 3.28Å; S39-Y41 PolarHBondContact O-N 2.96Å; S39-Y41 WeakPolarHBondContact OG-CE2 3.41Å; Y41-R43 PolarHBondContact O-N 2.86Å
42	P	36.7	Very low	54.2	Low	118 Å²	118	114.9 Å²	114.9	77%	0.766	62%	0.619	S	S	*	*			trans	-61.2	117.7	173.3	25.3	-32.3	0	0	0	107.9	Y40 K44	Y40-P42 WeakPolarHBondContact O-CD 3.49Å; P42-K44 PolarHBondContact O-N 3.45Å
43	R	42.3	Very low	57.3	Low	189 Å²	189	115 Å²	115	71%	0.713	60%	0.604	S	S	*	*			trans	-63.8	106.6	-178	-144.6	174.5	179.5	151.3	-1.1	107.5	Y41 T45 E84	Y41-R43 PolarHBondContact O-N 2.86Å; R43-T45 PolarHBondContact O-N 2.56Å; R43-E84 IonicContact CZ-OE2 2.62Å; R43-E84 VanDerWaalsContact CZ-OE2 3.24Å; R43-E84 IonicContact NE-OE2 2.67Å; R43-E84 PolarHBondContact NE-OE2 2.99Å; R43-E84 IonicContact NH2-OE2 3.93Å; R43-E84 PolarHBondContact NH2-OE2 3.35Å
44	K	41.7	Very low	60.1	Low	138 Å²	138	112.1 Å²	112.1	60%	0.6	59%	0.585	S	S	*	*			trans	-68.9	119.1	-176.3	-144.8	-178.5	-172.2	-168.3	0	107.5	P42 M46 S68	P42-K44 PolarHBondContact O-N 3.45Å; K44-M46 PolarHBondContact O-N 3.47Å; K44-M46 VanDerWaalsContact O-N 3.16Å; K44-S68 WeakPolarHBondContact CE-OG 3.44Å; K44-S68 PolarHBondContact NZ-OG 2.82Å
45	T	49	Very low	63	Low	77 Å²	77	113.9 Å²	113.9	47%	0.472	58%	0.577	S	S	.	*			trans	-52.9	124.3	163.1	41.8	0	0	0	0	107.6	R43 H47	R43-T45 PolarHBondContact O-N 2.56Å; T45-H47 PolarHBondContact O-CD2 2.89Å; T45-H47 PolarHBondContact O-N 3.36Å; T45-H47 PolarHBondContact OG1-CD2 2.8Å; T45-H47 VanDerWaalsContact OG1-CD2 3.22Å; T45-H47 PolarHBondContact OG1-NE2 3.01Å; T45-H47 VanDerWaalsContact OG1-NE2 3.09Å
46	M	58.2	Low	65.6	Low	117 Å²	117	113.1 Å²	113.1	58%	0.576	56%	0.564	S	S	*	*			trans	-69.8	81.6	-177.8	-77.1	-75.4	-161.2	0	0	109.6	K44 Y48	K44-M46 PolarHBondContact O-N 3.47Å; K44-M46 VanDerWaalsContact O-N 3.16Å; M46-Y48 HydrophobicContact CB-CE1 4.45Å; M46-Y48 HydrophobicContact CB-CE2 4.07Å; M46-Y48 WeakPolarHBondContact O-CD2 3.42Å; M46-Y48 WeakPolarHBondContact O-CE2 3.36Å; M46-Y48 PolarHBondContact O-N 3.08Å
47	H	81	Confident	68.4	Low	123 Å²	123	112 Å²	112	57%	0.569	55%	0.554	S	S	*	*			trans	-74.7	103.6	170.7	-75.8	-77.6	0	0	0	109.2	T45 S68	T45-H47 PolarHBondContact O-CD2 2.89Å; T45-H47 PolarHBondContact O-N 3.36Å; T45-H47 PolarHBondContact OG1-CD2 2.8Å; T45-H47 VanDerWaalsContact OG1-CD2 3.22Å; T45-H47 PolarHBondContact OG1-NE2 3.01Å; T45-H47 VanDerWaalsContact OG1-NE2 3.09Å; H47-S68 PolarHBondContact O-N 3.2Å
48	Y	93.4	Very high	71.4	Confident	47 Å²	47	107.8 Å²	107.8	18%	0.184	53%	0.527	C	S	.	.			trans	-75.2	139.1	169.1	-55.7	-72.1	0	0	0	110.2	M46 K66 I73 I79 P80 V195	M46-Y48 HydrophobicContact CB-CE1 4.45Å; M46-Y48 HydrophobicContact CB-CE2 4.07Å; M46-Y48 WeakPolarHBondContact O-CD2 3.42Å; M46-Y48 WeakPolarHBondContact O-CE2 3.36Å; M46-Y48 PolarHBondContact O-N 3.08Å; Y48-K66 WeakPolarHBondContact CA-O 3.36Å; Y48-I73 HydrophobicContact CD1-CD1 3.52Å; Y48-I73 HydrophobicContact CE1-CD1 3.65Å; Y48-I79 HydrophobicContact CD1-CG1 4.39Å; Y48-I79 HydrophobicContact CE1-CG1 4.02Å; Y48-I79 HydrophobicContact CE2-CG2 4.09Å; Y48-P80 VanDerWaalsContact OH-CD 3.25Å; Y48-P80 WeakPolarHBondContact OH-CD 3.2Å; Y48-V195 HydrophobicContact CD2-CB 3.65Å; Y48-V195 HydrophobicContact CD2-CG1 3.74Å; Y48-V195 HydrophobicContact CD2-CG2 3.68Å; Y48-V195 HydrophobicContact CE2-CB 4.35Å; Y48-V195 HydrophobicContact CE2-CG1 3.93Å; Y48-V195 HydrophobicContact CE2-CG2 4.49Å; Y48-V195 HydrophobicContact CG-CB 4.34Å; Y48-V195 HydrophobicContact CG-CG2 3.89Å
49	Q	95.6	Very high	74.3	Confident	106 Å²	106	103.3 Å²	103.3	50%	0.495	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	154.2	174.5	-64.1	-179	-2.2	0	0	109.1	F65 K66	Q49-F65 CarbonylContact O-C 3.56Å; Q49-K66 HydrophobicContact CB-CB 4.44Å; Q49-K66 PolarHBondContact N-O 3.15Å; Q49-K66 PolarHBondContact O-N 2.85Å
50	T	97.3	Very high	77.4	Confident	64 Å²	64	103.1 Å²	103.1	39%	0.393	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	150.1	175.5	52.5	0	0	0	0	111.7	I63 Y64 F65 G193	T50-I63 HydrophobicContact CG2-CG2 3.77Å; T50-Y64 CarbonylContact C-O 3.57Å; T50-Y64 VanDerWaalsContact CA-O 3.25Å; T50-Y64 WeakPolarHBondContact CA-O 3.25Å; T50-F65 HydrophobicContact CG2-CD1 4.37Å; T50-F65 HydrophobicContact CG2-CE1 4.31Å; T50-G193 WeakPolarHBondContact CG2-O 3.44Å
51	E	97.8	Very high	80.5	Confident	35 Å²	35	95.8 Å²	95.8	16%	0.164	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	118.2	171.2	-175.2	-178.2	88.7	0	0	109.7	R53 Y64 K66 Y72	E51-R53 VanDerWaalsContact CD-CZ 3.43Å; E51-R53 IonicContact OE1-CZ 3.14Å; E51-R53 IonicContact OE1-NE 2.8Å; E51-R53 PolarHBondContact OE1-NE 3.37Å; E51-R53 IonicContact OE1-NH2 2.77Å; E51-R53 PolarHBondContact OE1-NH2 2.89Å; E51-R53 IonicContact OE2-CZ 3.83Å; E51-R53 IonicContact OE2-NH2 3.04Å; E51-R53 PolarHBondContact OE2-NH2 2.91Å; E51-Y64 PolarHBondContact N-O 2.86Å; E51-Y64 PolarHBondContact O-N 3.16Å; E51-K66 IonicContact OE1-NZ 3.99Å; E51-K66 WeakPolarHBondContact OE2-CE 3.14Å; E51-K66 IonicContact OE2-NZ 3.63Å; E51-K66 PolarHBondContact OE2-NZ 3.23Å; E51-Y72 WeakPolarHBondContact OE1-CE1 3.34Å; E51-Y72 PolarHBondContact OE1-OH 2.81Å; E51-Y72 PolarHBondContact OE2-OH 2.96Å
52	Q	98.1	Very high	83.6	Confident	111 Å²	111	88.3 Å²	88.3	52%	0.519	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	136.4	177.3	-63.1	177.5	14.3	0	0	110.7	Y61 R62 I63	Q52-Y61 HydrophobicContact CB-CE2 4.12Å; Q52-Y61 HydrophobicContact CG-CE2 4.3Å; Q52-Y61 WeakPolarHBondContact CG-OH 3.47Å; Q52-Y61 PolarHBondContact OE1-OH 2.99Å; Q52-R62 CarbonylContact C-O 3.59Å; Q52-R62 WeakPolarHBondContact CA-O 3.28Å; Q52-I63 HydrophobicContact CG-CG1 4.45Å
53	R	98	Very high	86.5	Confident	129 Å²	129	82.8 Å²	82.8	49%	0.487	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	155.4	174.1	-61.7	-63	-178.7	-171.5	3.6	109.3	E51 Y61 R62 Y64	E51-R53 VanDerWaalsContact CD-CZ 3.43Å; E51-R53 IonicContact OE1-CZ 3.14Å; E51-R53 IonicContact OE1-NE 2.8Å; E51-R53 PolarHBondContact OE1-NE 3.37Å; E51-R53 IonicContact OE1-NH2 2.77Å; E51-R53 PolarHBondContact OE1-NH2 2.89Å; E51-R53 IonicContact OE2-CZ 3.83Å; E51-R53 IonicContact OE2-NH2 3.04Å; E51-R53 PolarHBondContact OE2-NH2 2.91Å; R53-Y61 CarbonylContact O-C 3.53Å; R53-Y61 WeakPolarHBondContact O-CA 3.32Å; R53-Y61 WeakPolarHBondContact O-CD2 3.35Å; R53-R62 HydrophobicContact CB-CB 4.48Å; R53-R62 PolarHBondContact N-O 3.01Å; R53-R62 PolarHBondContact O-N 3.22Å; R53-Y64 HydrophobicContact CB-CD2 4.45Å; R53-Y64 HydrophobicContact CB-CE2 4.24Å; R53-Y64 HydrophobicContact CG-CD2 3.95Å; R53-Y64 HydrophobicContact CG-CE2 4.03Å
54	G	97.2	Very high	89.2	Confident	41 Å²	41	76.4 Å²	76.4	42%	0.423	39%	0.387	S	S	.	.	S	Bend	trans	70.7	-166.3	-170.7	0	0	0	0	0	112.9	D60	G54-D60 VanDerWaalsContact CA-OD1 3.25Å; G54-D60 WeakPolarHBondContact CA-OD1 3.44Å
55	H	96.3	Very high	91.9	Very high	131 Å²	131	69.8 Å²	69.8	61%	0.606	36%	0.359	S	S	*	.			trans	-109	128.4	-177.3	-58.9	93.1	0	0	0	110.7	N57 S58 D60 Y61	H55-N57 PolarHBondContact O-N 3.11Å; H55-S58 VanDerWaalsContact O-CB 3.23Å; H55-S58 WeakPolarHBondContact O-CB 3.49Å; H55-S58 PolarHBondContact O-N 3.42Å; H55-S58 VanDerWaalsContact O-N 3.11Å; H55-D60 PolarHBondContact N-OD1 3.09Å; H55-D60 IonicContact ND1-OD1 3.93Å; H55-D60 IonicContact ND1-OD2 3.37Å; H55-D60 PolarHBondContact ND1-OD2 3.28Å; H55-Y61 WeakPolarHBondContact O-CB 3.16Å
56	P	93.4	Very high	94.2	Very high	80 Å²	80	67.8 Å²	67.8	52%	0.519	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	137.9	176.5	-26.9	34.1	0	0	0	112.7	Y61	P56-Y61 HydrophobicContact CB-CD2 4.45Å; P56-Y61 HydrophobicContact CB-CE2 4.27Å; P56-Y61 HydrophobicContact CG-CD2 4.17Å; P56-Y61 HydrophobicContact CG-CE2 3.77Å
57	N	93.9	Very high	95.9	Very high	101 Å²	101	63 Å²	63	54%	0.54	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	62	40.2	-171	-48.7	-83.6	0	0	0	113.6	H55 L138 Y140	H55-N57 PolarHBondContact O-N 3.11Å; N57-L138 WeakPolarHBondContact O-CD1 3.41Å; N57-Y140 WeakPolarHBondContact CB-OH 3.42Å; N57-Y140 PolarHBondContact OD1-OH 2.87Å
58	S	96.4	Very high	96.3	Very high	29 Å²	29	59 Å²	59	20%	0.203	31%	0.306	C	S	.	.	S	Bend	trans	-137	154.7	171.2	133.5	0	0	0	0	110.9	H55 D60 Y61	H55-S58 VanDerWaalsContact O-CB 3.23Å; H55-S58 WeakPolarHBondContact O-CB 3.49Å; H55-S58 PolarHBondContact O-N 3.42Å; H55-S58 VanDerWaalsContact O-N 3.11Å; S58-D60 PolarHBondContact O-N 3.11Å; S58-D60 VanDerWaalsContact O-N 3.16Å; S58-D60 PolarHBondContact OG-N 3.27Å; S58-D60 PolarHBondContact OG-OD1 3.15Å; S58-Y61 VanDerWaalsContact O-CB 3.3Å; S58-Y61 WeakPolarHBondContact O-CB 3.26Å; S58-Y61 PolarHBondContact O-N 3.37Å; S58-Y61 VanDerWaalsContact O-N 3.09Å
59	P	95.3	Very high	96.2	Very high	77 Å²	77	62.5 Å²	62.5	50%	0.5	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-18.8	178.1	-23.4	34.8	0	0	0	115	Y61 R62 V133 L138	P59-Y61 VanDerWaalsContact C-N 3.35Å; P59-R62 PolarHBondContact O-NH1 2.79Å; P59-V133 HydrophobicContact CB-CG2 4.46Å; P59-L138 HydrophobicContact CG-CD2 4.24Å
60	D	96.4	Very high	96	Very high	78 Å²	78	59.1 Å²	59.1	42%	0.417	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-7.7	176.5	75	1.5	0	0	0	113.9	G54 H55 S58 R62	G54-D60 VanDerWaalsContact CA-OD1 3.25Å; G54-D60 WeakPolarHBondContact CA-OD1 3.44Å; H55-D60 PolarHBondContact N-OD1 3.09Å; H55-D60 IonicContact ND1-OD1 3.93Å; H55-D60 IonicContact ND1-OD2 3.37Å; H55-D60 PolarHBondContact ND1-OD2 3.28Å; S58-D60 PolarHBondContact O-N 3.11Å; S58-D60 VanDerWaalsContact O-N 3.16Å; S58-D60 PolarHBondContact OG-N 3.27Å; S58-D60 PolarHBondContact OG-OD1 3.15Å; D60-R62 PolarHBondContact O-N 3.27Å
61	Y	98.4	Very high	96	Very high	24 Å²	24	62 Å²	62	9%	0.094	33%	0.329	C	S	.	.			trans	-69.3	130	-175.2	-170.5	-121.3	0	0	0	112	Q52 R53 H55 P56 S58 P59 I63 M118	Q52-Y61 HydrophobicContact CB-CE2 4.12Å; Q52-Y61 HydrophobicContact CG-CE2 4.3Å; Q52-Y61 WeakPolarHBondContact CG-OH 3.47Å; Q52-Y61 PolarHBondContact OE1-OH 2.99Å; R53-Y61 CarbonylContact O-C 3.53Å; R53-Y61 WeakPolarHBondContact O-CA 3.32Å; R53-Y61 WeakPolarHBondContact O-CD2 3.35Å; H55-Y61 WeakPolarHBondContact O-CB 3.16Å; P56-Y61 HydrophobicContact CB-CD2 4.45Å; P56-Y61 HydrophobicContact CB-CE2 4.27Å; P56-Y61 HydrophobicContact CG-CD2 4.17Å; P56-Y61 HydrophobicContact CG-CE2 3.77Å; S58-Y61 VanDerWaalsContact O-CB 3.3Å; S58-Y61 WeakPolarHBondContact O-CB 3.26Å; S58-Y61 PolarHBondContact O-N 3.37Å; S58-Y61 VanDerWaalsContact O-N 3.09Å; P59-Y61 VanDerWaalsContact C-N 3.35Å; Y61-I63 HydrophobicContact CE1-CD1 4Å; Y61-I63 HydrophobicContact CE1-CG1 3.86Å; Y61-M118 HydrophobicContact CD1-CE 3.9Å; Y61-M118 HydrophobicContact CE1-CE 4Å
62	R	98.6	Very high	96	Very high	40 Å²	40	64.6 Å²	64.6	15%	0.151	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	142.7	178.3	-65.4	-59.4	-178.3	-80	2.1	111.1	Q52 R53 P59 D60 Y64 E124 P128 I129	Q52-R62 CarbonylContact C-O 3.59Å; Q52-R62 WeakPolarHBondContact CA-O 3.28Å; R53-R62 HydrophobicContact CB-CB 4.48Å; R53-R62 PolarHBondContact N-O 3.01Å; R53-R62 PolarHBondContact O-N 3.22Å; P59-R62 PolarHBondContact O-NH1 2.79Å; D60-R62 PolarHBondContact O-N 3.27Å; R62-Y64 HydrophobicContact CB-CD2 4.07Å; R62-Y64 HydrophobicContact CB-CE2 3.55Å; R62-Y64 HydrophobicContact CG-CE2 4.2Å; R62-E124 IonicContact CZ-OE1 3.41Å; R62-E124 IonicContact CZ-OE2 2.65Å; R62-E124 IonicContact NE-OE1 2.75Å; R62-E124 IonicContact NE-OE2 2.82Å; R62-E124 PolarHBondContact NE-OE2 2.6Å; R62-E124 IonicContact NH2-OE1 3.2Å; R62-E124 PolarHBondContact NH2-OE1 3.46Å; R62-E124 IonicContact NH2-OE2 3.62Å; R62-E124 PolarHBondContact NH2-OE2 3.21Å; R62-P128 HydrophobicContact CB-CB 4.08Å; R62-P128 HydrophobicContact CB-CG 4.44Å; R62-P128 HydrophobicContact CG-CB 4.45Å; R62-P128 HydrophobicContact CG-CG 4.3Å; R62-I129 CarbonylContact C-O 3.57Å; R62-I129 WeakPolarHBondContact CA-O 3.35Å
63	I	98.7	Very high	96	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	104.2	170	-46	179.7	0	0	0	107.6	T50 Q52 Y61 P128 I129 P192	T50-I63 HydrophobicContact CG2-CG2 3.77Å; Q52-I63 HydrophobicContact CG-CG1 4.45Å; Y61-I63 HydrophobicContact CE1-CD1 4Å; Y61-I63 HydrophobicContact CE1-CG1 3.86Å; I63-P128 WeakPolarHBondContact O-CA 3.43Å; I63-P128 WeakPolarHBondContact O-CB 3.33Å; I63-I129 HydrophobicContact CB-CB 4.2Å; I63-I129 HydrophobicContact CD1-CG2 4.43Å; I63-I129 PolarHBondContact N-O 2.87Å; I63-I129 PolarHBondContact O-N 2.92Å; I63-P192 HydrophobicContact CD1-CB 3.64Å
64	Y	98.6	Very high	96	Very high	55 Å²	55	53.4 Å²	53.4	22%	0.216	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	155.4	174.5	-70	-85.1	0	0	0	110.9	T50 E51 R53 R62 L126 P128	T50-Y64 CarbonylContact C-O 3.57Å; T50-Y64 VanDerWaalsContact CA-O 3.25Å; T50-Y64 WeakPolarHBondContact CA-O 3.25Å; E51-Y64 PolarHBondContact N-O 2.86Å; E51-Y64 PolarHBondContact O-N 3.16Å; R53-Y64 HydrophobicContact CB-CD2 4.45Å; R53-Y64 HydrophobicContact CB-CE2 4.24Å; R53-Y64 HydrophobicContact CG-CD2 3.95Å; R53-Y64 HydrophobicContact CG-CE2 4.03Å; R62-Y64 HydrophobicContact CB-CD2 4.07Å; R62-Y64 HydrophobicContact CB-CE2 3.55Å; R62-Y64 HydrophobicContact CG-CE2 4.2Å; Y64-L126 HydrophobicContact CD1-CB 4.29Å; Y64-L126 HydrophobicContact CD1-CD1 4.46Å; Y64-L126 HydrophobicContact CE1-CB 4.39Å; Y64-P128 HydrophobicContact CD1-CB 3.77Å; Y64-P128 HydrophobicContact CD1-CG 4.2Å; Y64-P128 HydrophobicContact CD2-CB 4.34Å; Y64-P128 HydrophobicContact CE1-CB 3.69Å; Y64-P128 HydrophobicContact CE1-CG 3.62Å; Y64-P128 HydrophobicContact CE2-CB 4.28Å; Y64-P128 HydrophobicContact CG-CB 4.1Å
65	F	98.4	Very high	96	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	147.8	-180	-70.6	-108.4	0	0	0	111.1	Q49 T50 Y72 I73 P75 I79 V107 I129 G193 V195	Q49-F65 CarbonylContact O-C 3.56Å; T50-F65 HydrophobicContact CG2-CD1 4.37Å; T50-F65 HydrophobicContact CG2-CE1 4.31Å; F65-Y72 WeakPolarHBondContact O-CA 3.45Å; F65-I73 HydrophobicContact CB-CD1 4.32Å; F65-I73 HydrophobicContact CB-CG1 3.74Å; F65-I73 PolarHBondContact O-N 3.07Å; F65-P75 HydrophobicContact CD1-CB 4.2Å; F65-P75 HydrophobicContact CD2-CB 3.6Å; F65-P75 HydrophobicContact CD2-CG 3.59Å; F65-P75 HydrophobicContact CE1-CB 4.1Å; F65-P75 HydrophobicContact CE2-CB 3.52Å; F65-P75 HydrophobicContact CE2-CG 3.59Å; F65-P75 HydrophobicContact CG-CB 3.95Å; F65-P75 HydrophobicContact CG-CG 4.35Å; F65-P75 HydrophobicContact CZ-CB 3.75Å; F65-P75 HydrophobicContact CZ-CG 4.31Å; F65-I79 HydrophobicContact CD1-CD1 4.1Å; F65-I79 HydrophobicContact CE1-CD1 4.31Å; F65-V107 HydrophobicContact CE1-CG1 4Å; F65-V107 HydrophobicContact CE2-CG1 4.48Å; F65-V107 HydrophobicContact CZ-CG1 3.54Å; F65-I129 HydrophobicContact CE2-CD1 3.82Å; F65-I129 HydrophobicContact CE2-CG1 4.06Å; F65-I129 HydrophobicContact CZ-CD1 3.66Å; F65-I129 HydrophobicContact CZ-CG1 4.38Å; F65-G193 WeakPolarHBondContact CE1-O 3.37Å; F65-V195 HydrophobicContact CD1-CG2 4.23Å; F65-V195 HydrophobicContact CE1-CG2 3.88Å
66	K	97.1	Very high	96.1	Very high	35 Å²	35	45.2 Å²	45.2	15%	0.152	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	149	175.3	-62.7	-177.5	-178	-176	0	111.3	Y48 Q49 E51 K71 Y72	Y48-K66 WeakPolarHBondContact CA-O 3.36Å; Q49-K66 HydrophobicContact CB-CB 4.44Å; Q49-K66 PolarHBondContact N-O 3.15Å; Q49-K66 PolarHBondContact O-N 2.85Å; E51-K66 IonicContact OE1-NZ 3.99Å; E51-K66 WeakPolarHBondContact OE2-CE 3.14Å; E51-K66 IonicContact OE2-NZ 3.63Å; E51-K66 PolarHBondContact OE2-NZ 3.23Å; K66-K71 CarbonylContact C-O 3.56Å; K66-K71 WeakPolarHBondContact CA-O 3.14Å; K66-Y72 HydrophobicContact CD-CE1 4.39Å; K66-Y72 WeakPolarHBondContact CE-OH 3.41Å; K66-Y72 HydrophobicContact CG-CD1 4Å; K66-Y72 HydrophobicContact CG-CE1 4.28Å; K66-Y72 HydrophobicContact CG-CG 4.29Å; K66-Y72 PolarHBondContact NZ-OH 3.27Å
67	T	93.9	Very high	96.4	Very high	17 Å²	17	42.1 Å²	42.1	10%	0.104	22%	0.221	C	C	.	.			trans	-73.6	165.4	162.7	55.8	0	0	0	0	111.1	D69 G70 K71 I73	T67-D69 WeakPolarHBondContact CB-OD1 3.25Å; T67-D69 PolarHBondContact O-N 2.65Å; T67-D69 PolarHBondContact OG1-OD1 2.83Å; T67-G70 PolarHBondContact O-N 2.75Å; T67-K71 PolarHBondContact N-O 2.74Å; T67-K71 WeakPolarHBondContact OG1-CB 3.27Å; T67-K71 PolarHBondContact OG1-N 2.89Å; T67-K71 PolarHBondContact OG1-O 3.03Å; T67-I73 HydrophobicContact CG2-CD1 4.22Å; T67-I73 HydrophobicContact CG2-CG2 3.82Å
68	S	88.9	Confident	96.5	Very high	37 Å²	37	41 Å²	41	26%	0.259	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-14.5	179.1	65.2	0	0	0	0	116.2	K44 H47	K44-S68 WeakPolarHBondContact CE-OG 3.44Å; K44-S68 PolarHBondContact NZ-OG 2.82Å; H47-S68 PolarHBondContact O-N 3.2Å
69	D	91	Very high	96.6	Very high	122 Å²	122	39.6 Å²	39.6	65%	0.652	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.8	2.8	172.7	60	-52	0	0	0	113.2	T67	T67-D69 WeakPolarHBondContact CB-OD1 3.25Å; T67-D69 PolarHBondContact O-N 2.65Å; T67-D69 PolarHBondContact OG1-OD1 2.83Å
70	G	93.1	Very high	96.7	Very high	35 Å²	35	38.2 Å²	38.2	36%	0.361	20%	0.196	S	C	.	.	S	Bend	trans	90.8	0.3	171.2	0	0	0	0	0	115.7	T67 Y72	T67-G70 PolarHBondContact O-N 2.75Å; G70-Y72 PolarHBondContact O-N 2.83Å
71	K	96	Very high	96.8	Very high	124 Å²	124	34.9 Å²	34.9	54%	0.539	18%	0.179	S	C	.	.			trans	-66.1	127	173.4	-173.1	-154.6	169.1	-162.4	0	109.4	K66 T67 I73	K66-K71 CarbonylContact C-O 3.56Å; K66-K71 WeakPolarHBondContact CA-O 3.14Å; T67-K71 PolarHBondContact N-O 2.74Å; T67-K71 WeakPolarHBondContact OG1-CB 3.27Å; T67-K71 PolarHBondContact OG1-N 2.89Å; T67-K71 PolarHBondContact OG1-O 3.03Å; K71-I73 HydrophobicContact CD-CG2 4.43Å
72	Y	97.6	Very high	96.7	Very high	89 Å²	89	38.2 Å²	38.2	35%	0.349	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	144.5	170.3	-69.4	-92.6	0	0	0	111	E51 F65 K66 G70	E51-Y72 WeakPolarHBondContact OE1-CE1 3.34Å; E51-Y72 PolarHBondContact OE1-OH 2.81Å; E51-Y72 PolarHBondContact OE2-OH 2.96Å; F65-Y72 WeakPolarHBondContact O-CA 3.45Å; K66-Y72 HydrophobicContact CD-CE1 4.39Å; K66-Y72 WeakPolarHBondContact CE-OH 3.41Å; K66-Y72 HydrophobicContact CG-CD1 4Å; K66-Y72 HydrophobicContact CG-CE1 4.28Å; K66-Y72 HydrophobicContact CG-CG 4.29Å; K66-Y72 PolarHBondContact NZ-OH 3.27Å; G70-Y72 PolarHBondContact O-N 2.83Å
73	I	97.8	Very high	96.4	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.026	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	156.4	-179.5	59.1	167.1	0	0	0	110.8	Y48 F65 T67 K71 D78 I79	Y48-I73 HydrophobicContact CD1-CD1 3.52Å; Y48-I73 HydrophobicContact CE1-CD1 3.65Å; F65-I73 HydrophobicContact CB-CD1 4.32Å; F65-I73 HydrophobicContact CB-CG1 3.74Å; F65-I73 PolarHBondContact O-N 3.07Å; T67-I73 HydrophobicContact CG2-CD1 4.22Å; T67-I73 HydrophobicContact CG2-CG2 3.82Å; K71-I73 HydrophobicContact CD-CG2 4.43Å; I73-D78 WeakPolarHBondContact CA-OD2 3.36Å; I73-D78 HydrophobicContact CB-CB 3.71Å; I73-D78 WeakPolarHBondContact CB-OD2 3.45Å; I73-D78 HydrophobicContact CG2-CB 4.09Å; I73-I79 HydrophobicContact CD1-CG1 4.06Å
74	S	98.5	Very high	95.5	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.007	22%	0.221	C	C	.	.			trans	-78.8	128.3	167.8	169.3	0	0	0	0	111	F76 H77 D78 N127	S74-F76 PolarHBondContact O-N 2.85Å; S74-F76 WeakPolarHBondContact OG-CB 3.31Å; S74-F76 PolarHBondContact OG-N 3.01Å; S74-H77 PolarHBondContact OG-CD2 2.87Å; S74-H77 VanDerWaalsContact OG-CD2 3.28Å; S74-H77 PolarHBondContact OG-N 2.93Å; S74-D78 PolarHBondContact N-OD2 3.38Å; S74-D78 WeakPolarHBondContact O-CB 3.33Å; S74-D78 PolarHBondContact O-N 2.81Å; S74-N127 WeakPolarHBondContact CB-OD1 3.25Å; S74-N127 PolarHBondContact OG-OD1 3Å
75	P	98.4	Very high	93.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-17	169.5	31.6	-34.8	0	0	0	112.8	F65 I79 V107 I120 L126 N127 P158	F65-P75 HydrophobicContact CD1-CB 4.2Å; F65-P75 HydrophobicContact CD2-CB 3.6Å; F65-P75 HydrophobicContact CD2-CG 3.59Å; F65-P75 HydrophobicContact CE1-CB 4.1Å; F65-P75 HydrophobicContact CE2-CB 3.52Å; F65-P75 HydrophobicContact CE2-CG 3.59Å; F65-P75 HydrophobicContact CG-CB 3.95Å; F65-P75 HydrophobicContact CG-CG 4.35Å; F65-P75 HydrophobicContact CZ-CB 3.75Å; F65-P75 HydrophobicContact CZ-CG 4.31Å; P75-I79 HydrophobicContact CB-CD1 4.04Å; P75-V107 HydrophobicContact CB-CG1 4.15Å; P75-V107 HydrophobicContact CB-CG2 4.23Å; P75-I120 HydrophobicContact CB-CD1 4.35Å; P75-I120 HydrophobicContact CG-CD1 4.44Å; P75-I120 HydrophobicContact CG-CG1 4.15Å; P75-L126 WeakPolarHBondContact CD-O 3.2Å; P75-N127 WeakPolarHBondContact CD-O 3.21Å; P75-N127 WeakPolarHBondContact CG-O 3.32Å; P75-P158 WeakPolarHBondContact O-CB 3.43Å
76	F	98.6	Very high	91.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-46.3	177.1	-170.2	-176.8	0	0	0	111.2	S74 I120 T122 N127 Q159 T160 P179 W287 L290 I300	S74-F76 PolarHBondContact O-N 2.85Å; S74-F76 WeakPolarHBondContact OG-CB 3.31Å; S74-F76 PolarHBondContact OG-N 3.01Å; F76-I120 HydrophobicContact CB-CG2 4.03Å; F76-I120 HydrophobicContact CG-CG2 4.47Å; F76-T122 HydrophobicContact CD1-CG2 3.99Å; F76-T122 HydrophobicContact CE1-CG2 3.73Å; F76-N127 HydrophobicContact CB-CB 4.01Å; F76-Q159 PolarHBondContact O-N 2.88Å; F76-T160 VanDerWaalsContact CE2-O 3.23Å; F76-T160 WeakPolarHBondContact CE2-O 3.34Å; F76-P179 HydrophobicContact CD2-CB 4.31Å; F76-P179 HydrophobicContact CD2-CG 3.82Å; F76-P179 HydrophobicContact CE1-CG 4.43Å; F76-P179 HydrophobicContact CE2-CB 4.08Å; F76-P179 HydrophobicContact CE2-CG 3.71Å; F76-P179 HydrophobicContact CG-CG 4.3Å; F76-P179 HydrophobicContact CZ-CG 4.02Å; F76-W287 AromaticContact CE2-CD1 3.56Å; F76-W287 AromaticContact CE2-NE1 3.98Å; F76-L290 HydrophobicContact CZ-CD2 4.49Å; F76-I300 HydrophobicContact CD1-CG2 4.31Å; F76-I300 HydrophobicContact CE1-CD1 4.3Å; F76-I300 HydrophobicContact CE1-CG2 3.62Å; F76-I300 HydrophobicContact CZ-CD1 4.43Å; F76-I300 HydrophobicContact CZ-CG2 4.44Å
77	H	98	Very high	89	Confident	15 Å²	15	54.7 Å²	54.7	7%	0.069	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-33.7	-168.4	-52.9	-69.7	0	0	0	115	S74 N127 Q159 W287 E301	S74-H77 PolarHBondContact OG-CD2 2.87Å; S74-H77 VanDerWaalsContact OG-CD2 3.28Å; S74-H77 PolarHBondContact OG-N 2.93Å; H77-N127 PolarHBondContact CD2-OD1 3.43Å; H77-N127 VanDerWaalsContact CD2-OD1 3.23Å; H77-Q159 PolarHBondContact O-NE2 3.23Å; H77-W287 HydrophobicContact CB-CZ2 4.25Å; H77-W287 AromaticContact CE1-NE1 3.82Å; H77-W287 AromaticContact ND1-CE2 3.89Å; H77-W287 AromaticContact ND1-NE1 3.08Å; H77-W287 PolarHBondContact ND1-NE1 2.58Å; H77-E301 PolarHBondContact NE2-O 3.05Å; H77-E301 VanDerWaalsContact NE2-O 3.08Å
78	D	97.6	Very high	86.5	Confident	77 Å²	77	60.3 Å²	60.3	41%	0.412	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-22.4	-169.3	-73.1	-54.9	0	0	0	114.3	I73 S74 P80	I73-D78 WeakPolarHBondContact CA-OD2 3.36Å; I73-D78 HydrophobicContact CB-CB 3.71Å; I73-D78 WeakPolarHBondContact CB-OD2 3.45Å; I73-D78 HydrophobicContact CG2-CB 4.09Å; S74-D78 PolarHBondContact N-OD2 3.38Å; S74-D78 WeakPolarHBondContact O-CB 3.33Å; S74-D78 PolarHBondContact O-N 2.81Å; D78-P80 WeakPolarHBondContact O-CD 3.03Å
79	I	97.5	Very high	84.2	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.338	C	S	.	.	S	Bend	trans	-78.2	122.1	175.5	-58.6	177.4	0	0	0	108	Y48 F65 I73 P75 L81 N105 V107 P158 Q159 V195	Y48-I79 HydrophobicContact CD1-CG1 4.39Å; Y48-I79 HydrophobicContact CE1-CG1 4.02Å; Y48-I79 HydrophobicContact CE2-CG2 4.09Å; F65-I79 HydrophobicContact CD1-CD1 4.1Å; F65-I79 HydrophobicContact CE1-CD1 4.31Å; I73-I79 HydrophobicContact CD1-CG1 4.06Å; P75-I79 HydrophobicContact CB-CD1 4.04Å; I79-L81 PolarHBondContact O-N 2.89Å; I79-N105 HydrophobicContact CG2-CB 3.95Å; I79-V107 HydrophobicContact CD1-CG2 3.77Å; I79-P158 HydrophobicContact CB-CB 3.89Å; I79-P158 HydrophobicContact CB-CG 3.96Å; I79-P158 HydrophobicContact CG2-CB 4.24Å; I79-P158 HydrophobicContact CG2-CG 3.74Å; I79-P158 WeakPolarHBondContact O-CB 2.88Å; I79-P158 WeakPolarHBondContact O-CG 3.49Å; I79-Q159 WeakPolarHBondContact O-CG 3.33Å; I79-V195 HydrophobicContact CD1-CG2 3.71Å; I79-V195 HydrophobicContact CG2-CG1 4.11Å
80	P	97.6	Very high	82.1	Confident	47 Å²	47	64.5 Å²	64.5	31%	0.305	34%	0.337	S	S	.	.			trans	-62.4	137.5	-179.8	-23.6	35.1	0	0	0	112.2	Y48 D78 I82 N105	Y48-P80 VanDerWaalsContact OH-CD 3.25Å; Y48-P80 WeakPolarHBondContact OH-CD 3.2Å; D78-P80 WeakPolarHBondContact O-CD 3.03Å; P80-I82 PolarHBondContact O-N 3.36Å; P80-N105 WeakPolarHBondContact O-CB 3.18Å; P80-N105 PolarHBondContact O-ND2 3.01Å
81	L	98.2	Very high	79.8	Confident	9 Å²	9	68.3 Å²	68.3	5%	0.047	35%	0.352	C	S	.	.	S	Bend	trans	-55.1	-49.3	174.7	172.2	57.3	0	0	0	112.4	I79 Y104 N105 L157 Q159 T160 I280 H284	I79-L81 PolarHBondContact O-N 2.89Å; L81-Y104 HydrophobicContact CD1-CD1 3.67Å; L81-Y104 HydrophobicContact CD1-CE1 4.31Å; L81-Y104 HydrophobicContact CG-CD1 3.9Å; L81-Y104 HydrophobicContact CG-CE1 4.25Å; L81-Y104 CarbonylContact O-C 3.52Å; L81-Y104 VanDerWaalsContact O-CA 3.27Å; L81-Y104 WeakPolarHBondContact O-CA 3.48Å; L81-N105 PolarHBondContact O-N 3.09Å; L81-L157 HydrophobicContact CD1-CB 3.75Å; L81-L157 HydrophobicContact CD1-CD1 3.96Å; L81-L157 HydrophobicContact CD1-CG 4.35Å; L81-Q159 HydrophobicContact CB-CB 4.23Å; L81-Q159 VanDerWaalsContact N-OE1 3.09Å; L81-T160 HydrophobicContact CD1-CG2 3.78Å; L81-T160 HydrophobicContact CD2-CG2 4.11Å; L81-I280 HydrophobicContact CD1-CG2 4.15Å; L81-I280 HydrophobicContact CD2-CG2 4.12Å; L81-H284 HydrophobicContact CD2-CB 3.63Å
82	I	97	Very high	77.6	Confident	93 Å²	93	69.1 Å²	69.1	48%	0.477	37%	0.37	S	S	.	.	B	Isolated β-bridge	trans	-94.9	130.7	-179.2	-59.5	177.4	0	0	0	108.9	P80 V102 Y104	P80-I82 PolarHBondContact O-N 3.36Å; I82-V102 HydrophobicContact CG2-CG1 4.12Å; I82-Y104 HydrophobicContact CG1-CD1 4.3Å; I82-Y104 HydrophobicContact CG1-CE1 4.13Å
83	A	92.3	Very high	75.3	Confident	10 Å²	10	68.1 Å²	68.1	8%	0.083	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-73.4	132.7	173	0	0	0	0	0	110.4	S85 L103 Q197	A83-S85 PolarHBondContact O-N 3.04Å; A83-L103 HydrophobicContact CB-CB 4.12Å; A83-L103 PolarHBondContact N-O 3.28Å; A83-Q197 HydrophobicContact CB-CG 3.91Å
84	E	79.9	Confident	72.9	Confident	124 Å²	124	78.2 Å²	78.2	58%	0.579	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-61.6	123.9	175	-71.6	-169.4	-153.8	0	0	110.4	R43	R43-E84 IonicContact CZ-OE2 2.62Å; R43-E84 VanDerWaalsContact CZ-OE2 3.24Å; R43-E84 IonicContact NE-OE2 2.67Å; R43-E84 PolarHBondContact NE-OE2 2.99Å; R43-E84 IonicContact NH2-OE2 3.93Å; R43-E84 PolarHBondContact NH2-OE2 3.35Å
85	S	61.8	Low	70.2	Confident	71 Å²	71	87.3 Å²	87.3	50%	0.497	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-78	137.7	171.6	61.6	0	0	0	0	110.6	A83 Q87	A83-S85 PolarHBondContact O-N 3.04Å; S85-Q87 PolarHBondContact O-N 3.06Å; S85-Q87 PolarHBondContact OG-NE2 2.98Å
86	E	50.3	Low	67.5	Low	156 Å²	156	92.9 Å²	92.9	73%	0.729	50%	0.5	S	S	*	.			trans	-68.8	79.6	169.8	-68.3	-173	176.2	0	0	110.7	N88	E86-N88 PolarHBondContact O-N 2.87Å; E86-N88 PolarHBondContact O-ND2 2.86Å
87	Q	45.2	Very low	64.7	Low	117 Å²	117	103 Å²	103	55%	0.547	54%	0.544	S	S	.	.			trans	-71.9	97.7	164.8	-71.1	177.7	21.8	0	0	107.8	S85 D89	S85-Q87 PolarHBondContact O-N 3.06Å; S85-Q87 PolarHBondContact OG-NE2 2.98Å; Q87-D89 VanDerWaalsContact C-N 3.33Å; Q87-D89 PolarHBondContact O-N 2.87Å; Q87-D89 VanDerWaalsContact O-N 3.08Å
88	N	40.1	Very low	62.3	Low	134 Å²	134	106.7 Å²	106.7	72%	0.717	57%	0.572	S	S	*	*			trans	-74.2	87.7	169.3	-76.1	-82.7	0	0	0	108.3	E86 D90	E86-N88 PolarHBondContact O-N 2.87Å; E86-N88 PolarHBondContact O-ND2 2.86Å; N88-D90 PolarHBondContact O-N 3.08Å
89	D	42.3	Very low	60.3	Low	133 Å²	133	111.5 Å²	111.5	71%	0.711	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	-1.1	-172.7	-76.5	-38.2	0	0	0	115.2	Q87	Q87-D89 VanDerWaalsContact C-N 3.33Å; Q87-D89 PolarHBondContact O-N 2.87Å; Q87-D89 VanDerWaalsContact O-N 3.08Å
90	D	46.7	Very low	58.6	Low	115 Å²	115	117.4 Å²	117.4	62%	0.615	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	11	-166.2	-76.6	-43.4	0	0	0	116.4	Y40 N88	Y40-D90 PolarHBondContact OH-OD1 3.01Å; Y40-D90 PolarHBondContact OH-OD2 3.17Å; N88-D90 PolarHBondContact O-N 3.08Å
91	V	45	Very low	57.8	Low	114 Å²	114	119.5 Å²	119.5	69%	0.691	63%	0.628	S	S	*	*			trans	-136.8	108.5	177	-169.5	0	0	0	0	114.4	A93	V91-A93 VanDerWaalsContact C-N 3.34Å; V91-A93 HydrophobicContact CG1-CB 3.76Å; V91-A93 PolarHBondContact O-N 2.77Å
92	P	50.1	Low	57.5	Low	141 Å²	141	122.6 Å²	122.6	92%	0.916	65%	0.646	S	S	*	*			trans	-80.1	77.7	170.6	33.5	-34.1	0	0	0	111
93	A	47.7	Very low	57.5	Low	68 Å²	68	119.7 Å²	119.7	56%	0.562	63%	0.632	S	S	*	*			trans	-126.3	124.6	177.7	0	0	0	0	0	112.8	V91 K95	V91-A93 VanDerWaalsContact C-N 3.34Å; V91-A93 HydrophobicContact CG1-CB 3.76Å; V91-A93 PolarHBondContact O-N 2.77Å; A93-K95 PolarHBondContact O-N 2.91Å
94	K	47.4	Very low	57.8	Low	217 Å²	217	119.8 Å²	119.8	94%	0.943	63%	0.63	S	S	*	*			trans	-47.6	99	173.9	-62.6	170.3	179.3	175.2	0	112.1
95	K	41.9	Very low	58.7	Low	192 Å²	192	114.5 Å²	114.5	84%	0.835	61%	0.606	S	S	*	*			trans	-111.9	149.2	155.2	-79	-175.3	176.3	179.3	0	108.6	A93	A93-K95 PolarHBondContact O-N 2.91Å
96	P	42.6	Very low	60.4	Low	118 Å²	118	111.1 Å²	111.1	77%	0.766	58%	0.582	S	S	*	*			trans	-59.8	158.9	171	29.1	-35.1	0	0	0	109.5	S98	P96-S98 VanDerWaalsContact C-N 3.33Å; P96-S98 PolarHBondContact O-N 3.27Å
97	K	40.5	Very low	62.8	Low	211 Å²	211	103.7 Å²	103.7	92%	0.917	55%	0.547	S	S	*	.			trans	-56.5	94.8	172.9	-72.3	-179.6	174.9	-178.1	0	109.7	E99	K97-E99 PolarHBondContact O-N 3.19Å
98	S	46.9	Very low	65.3	Low	94 Å²	94	98.1 Å²	98.1	66%	0.657	52%	0.521	S	S	*	.			trans	-64.7	122.8	153.3	51.8	0	0	0	0	105.8	P96 N100	P96-S98 VanDerWaalsContact C-N 3.33Å; P96-S98 PolarHBondContact O-N 3.27Å; S98-N100 PolarHBondContact O-N 2.97Å
99	E	54.8	Low	68.1	Low	177 Å²	177	92.2 Å²	92.2	83%	0.827	49%	0.49	S	S	*	.			trans	-53.4	125.5	166.9	-65.5	179.6	168.3	0	0	107.7	K97 K101	K97-E99 PolarHBondContact O-N 3.19Å; E99-K101 PolarHBondContact O-N 3.45Å
100	N	62.1	Low	70.8	Confident	124 Å²	124	85.9 Å²	85.9	66%	0.663	46%	0.456	S	S	*	.			trans	-63.3	102.2	177.6	-83.3	-3.7	0	0	0	107.7	S98 V102	S98-N100 PolarHBondContact O-N 2.97Å; N100-V102 VanDerWaalsContact C-N 3.33Å; N100-V102 PolarHBondContact O-N 3.27Å
101	K	80.7	Confident	73.3	Confident	92 Å²	92	81.3 Å²	81.3	40%	0.4	43%	0.432	S	S	.	.			trans	-64.1	92.6	178.7	-175.3	-174.6	-176.6	-175.8	0	108.1	E99 L103 K199 A226	E99-K101 PolarHBondContact O-N 3.45Å; K101-L103 HydrophobicContact CD-CD2 4.2Å; K101-L103 HydrophobicContact CG-CD2 4.06Å; K101-L103 PolarHBondContact O-N 2.9Å; K101-K199 HydrophobicContact CG-CD 4.41Å; K101-A226 PolarHBondContact NZ-O 3.42Å
102	V	92.8	Very high	75.9	Confident	73 Å²	73	77.2 Å²	77.2	44%	0.442	40%	0.404	S	S	.	.			trans	-61.4	122.5	173.7	-177.3	0	0	0	0	107.8	I82 N100 Y104	I82-V102 HydrophobicContact CG2-CG1 4.12Å; N100-V102 VanDerWaalsContact C-N 3.33Å; N100-V102 PolarHBondContact O-N 3.27Å; V102-Y104 HydrophobicContact CG1-CD2 4.5Å; V102-Y104 HydrophobicContact CG1-CE1 4.43Å; V102-Y104 HydrophobicContact CG1-CE2 3.89Å
103	L	97	Very high	78.2	Confident	32 Å²	32	76.6 Å²	76.6	17%	0.168	38%	0.384	C	S	.	.			trans	-109.3	140.6	173.5	-63.4	-178.4	0	0	0	108.6	A83 K101 Q197 V198 K199 A221	A83-L103 HydrophobicContact CB-CB 4.12Å; A83-L103 PolarHBondContact N-O 3.28Å; K101-L103 HydrophobicContact CD-CD2 4.2Å; K101-L103 HydrophobicContact CG-CD2 4.06Å; K101-L103 PolarHBondContact O-N 2.9Å; L103-Q197 HydrophobicContact CD1-CB 4.34Å; L103-V198 WeakPolarHBondContact CA-O 3.41Å; L103-K199 HydrophobicContact CD2-CB 4.12Å; L103-A221 HydrophobicContact CD1-CB 3.76Å; L103-A221 HydrophobicContact CD2-CB 3.79Å; L103-A221 HydrophobicContact CG-CB 4.42Å
104	Y	98.3	Very high	80.6	Confident	13 Å²	13	75 Å²	75	5%	0.051	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	145.9	175.9	-62.3	-91.3	0	0	0	109.1	L81 I82 V102 L157 Q197 V198 V200 I280	L81-Y104 HydrophobicContact CD1-CD1 3.67Å; L81-Y104 HydrophobicContact CD1-CE1 4.31Å; L81-Y104 HydrophobicContact CG-CD1 3.9Å; L81-Y104 HydrophobicContact CG-CE1 4.25Å; L81-Y104 CarbonylContact O-C 3.52Å; L81-Y104 VanDerWaalsContact O-CA 3.27Å; L81-Y104 WeakPolarHBondContact O-CA 3.48Å; I82-Y104 HydrophobicContact CG1-CD1 4.3Å; I82-Y104 HydrophobicContact CG1-CE1 4.13Å; V102-Y104 HydrophobicContact CG1-CD2 4.5Å; V102-Y104 HydrophobicContact CG1-CE1 4.43Å; V102-Y104 HydrophobicContact CG1-CE2 3.89Å; Y104-L157 HydrophobicContact CD1-CD1 4.42Å; Y104-Q197 CarbonylContact O-C 3.51Å; Y104-Q197 WeakPolarHBondContact O-CA 3.4Å; Y104-V198 PolarHBondContact N-O 2.82Å; Y104-V198 PolarHBondContact O-N 2.71Å; Y104-V200 HydrophobicContact CD2-CG2 3.6Å; Y104-V200 HydrophobicContact CE2-CB 4.44Å; Y104-V200 HydrophobicContact CE2-CG2 3.72Å; Y104-V200 HydrophobicContact CG-CG2 4.45Å; Y104-I280 HydrophobicContact CD1-CG2 4.29Å; Y104-I280 HydrophobicContact CE1-CG2 3.82Å
105	N	98.6	Very high	83.1	Confident	12 Å²	12	66.5 Å²	66.5	6%	0.064	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	133.9	164.5	-67.1	-56	0	0	0	108.1	I79 P80 L81 L157 P158 V195 I196	I79-N105 HydrophobicContact CG2-CB 3.95Å; P80-N105 WeakPolarHBondContact O-CB 3.18Å; P80-N105 PolarHBondContact O-ND2 3.01Å; L81-N105 PolarHBondContact O-N 3.09Å; N105-L157 VanDerWaalsContact O-CD2 3.31Å; N105-L157 WeakPolarHBondContact O-CD2 3.36Å; N105-P158 HydrophobicContact CB-CG 4.29Å; N105-P158 WeakPolarHBondContact O-CD 3.39Å; N105-V195 HydrophobicContact CB-CG1 4.04Å; N105-I196 CarbonylContact C-O 3.58Å; N105-I196 WeakPolarHBondContact CA-O 3.27Å
106	M	98.8	Very high	85.7	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	132.5	170.4	172.5	-169.4	175.8	0	0	107.9	V108 L157 V182 D184 V195 I196 V198	M106-V108 HydrophobicContact CE-CG2 4.3Å; M106-V108 HydrophobicContact SD-CG2 4.49Å; M106-L157 HydrophobicContact CB-CD2 4.33Å; M106-V182 HydrophobicContact CE-CB 3.92Å; M106-V182 HydrophobicContact CE-CG1 4.07Å; M106-V182 WeakPolarHBondContact CE-O 3.4Å; M106-V182 HydrophobicContact CG-CB 4.12Å; M106-V182 HydrophobicContact CG-CG1 4.18Å; M106-V182 HydrophobicContact CG-CG2 4.4Å; M106-V182 HydrophobicContact SD-CB 3.91Å; M106-V182 HydrophobicContact SD-CG1 3.56Å; M106-V182 VanDerWaalsContact SD-CG1 3.56Å; M106-D184 HydrophobicContact CE-CB 4.18Å; M106-D184 HydrophobicContact SD-CB 3.75Å; M106-V195 WeakPolarHBondContact O-CA 3.12Å; M106-I196 HydrophobicContact CB-CG1 4.01Å; M106-I196 HydrophobicContact CG-CG1 4.43Å; M106-I196 PolarHBondContact N-O 2.55Å; M106-I196 PolarHBondContact O-N 2.68Å; M106-I196 HydrophobicContact SD-CD1 3.97Å; M106-I196 HydrophobicContact SD-CG1 4.25Å; M106-V198 HydrophobicContact CB-CG1 4Å; M106-V198 HydrophobicContact CB-CG2 3.99Å; M106-V198 HydrophobicContact SD-CG1 4.1Å
107	V	98.8	Very high	88.4	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	112.3	170.2	-178.9	0	0	0	0	107.7	F65 P75 I79 I120 I129 G155 A156 P158	F65-V107 HydrophobicContact CE1-CG1 4Å; F65-V107 HydrophobicContact CE2-CG1 4.48Å; F65-V107 HydrophobicContact CZ-CG1 3.54Å; P75-V107 HydrophobicContact CB-CG1 4.15Å; P75-V107 HydrophobicContact CB-CG2 4.23Å; I79-V107 HydrophobicContact CD1-CG2 3.77Å; V107-I120 HydrophobicContact CB-CD1 4.24Å; V107-I120 HydrophobicContact CG1-CD1 4.14Å; V107-I129 HydrophobicContact CG1-CD1 3.95Å; V107-G155 CarbonylContact O-C 3.6Å; V107-G155 VanDerWaalsContact O-CA 3.3Å; V107-G155 WeakPolarHBondContact O-CA 3.34Å; V107-A156 PolarHBondContact N-O 3.11Å; V107-A156 PolarHBondContact O-N 3.44Å; V107-A156 VanDerWaalsContact O-N 3.13Å; V107-P158 HydrophobicContact CG2-CB 4.33Å
108	V	98.9	Very high	91.2	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	126.5	178.3	-179.2	0	0	0	0	109.8	M106 C190 G193 Q194 I196	M106-V108 HydrophobicContact CE-CG2 4.3Å; M106-V108 HydrophobicContact SD-CG2 4.49Å; V108-C190 HydrophobicContact CB-CB 4.38Å; V108-C190 HydrophobicContact CG1-CB 3.88Å; V108-C190 HydrophobicContact CG2-CB 3.95Å; V108-G193 WeakPolarHBondContact O-CA 3.17Å; V108-G193 PolarHBondContact O-N 2.61Å; V108-Q194 HydrophobicContact CB-CB 4.4Å; V108-Q194 WeakPolarHBondContact CB-O 3.39Å; V108-Q194 WeakPolarHBondContact CG2-O 3.48Å; V108-Q194 PolarHBondContact N-O 2.76Å; V108-I196 HydrophobicContact CG2-CD1 3.9Å; V108-I196 HydrophobicContact CG2-CG1 3.95Å; V108-I196 HydrophobicContact CG2-CG2 4.46Å
109	E	98.9	Very high	93.6	Very high	11 Å²	11	42.3 Å²	42.3	5%	0.051	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	-49.3	177.4	-53.9	174.1	139	0	0	110.6	P111 M118 E119 I120 I129 Y154 G155	E109-P111 WeakPolarHBondContact O-CD 3.48Å; E109-M118 HydrophobicContact CB-CB 4.3Å; E109-M118 WeakPolarHBondContact O-CB 3.45Å; E109-E119 WeakPolarHBondContact OE1-CA 3.44Å; E109-I120 WeakPolarHBondContact OE1-CG1 3.3Å; E109-I120 PolarHBondContact OE1-N 3.28Å; E109-I129 HydrophobicContact CG-CD1 4.1Å; E109-I129 HydrophobicContact CG-CG1 4.35Å; E109-Y154 PolarHBondContact N-O 3.44Å; E109-G155 WeakPolarHBondContact OE2-CA 3.28Å
110	V	98.9	Very high	95.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	83.5	-177.8	-132.8	0	0	0	0	120.3	R112 S114 A116 M118 Y150 N153 Y154	V110-R112 PolarHBondContact O-N 3.37Å; V110-S114 WeakPolarHBondContact CG1-OG 3.49Å; V110-A116 WeakPolarHBondContact CG1-O 3.4Å; V110-A116 WeakPolarHBondContact CG2-O 3.3Å; V110-M118 HydrophobicContact CG2-CB 3.85Å; V110-M118 HydrophobicContact CG2-CG 4.3Å; V110-M118 WeakPolarHBondContact CG2-O 3.31Å; V110-Y150 HydrophobicContact CB-CD1 4.43Å; V110-Y150 HydrophobicContact CB-CD2 4.12Å; V110-Y150 HydrophobicContact CB-CE2 4.23Å; V110-Y150 HydrophobicContact CB-CG 4.23Å; V110-Y150 HydrophobicContact CG1-CD2 3.65Å; V110-Y150 HydrophobicContact CG1-CE2 3.98Å; V110-Y150 HydrophobicContact CG1-CG 4.08Å; V110-Y150 HydrophobicContact CG2-CE2 4.31Å; V110-N153 CarbonylContact O-C 3.5Å; V110-N153 WeakPolarHBondContact O-CA 3.45Å; V110-Y154 WeakPolarHBondContact CA-O 3.38Å; V110-Y154 PolarHBondContact N-O 3.25Å; V110-Y154 PolarHBondContact O-N 3.1Å
111	P	98.8	Very high	97.5	Very high	19 Å²	19	28.4 Å²	28.4	12%	0.123	14%	0.14	C	C	.	.			trans	-59.9	139.2	174.2	-27.3	36	0	0	0	112.6	E109 W113 S114 V189 C190 P192	E109-P111 WeakPolarHBondContact O-CD 3.48Å; P111-W113 PolarHBondContact O-N 2.87Å; P111-S114 WeakPolarHBondContact O-CB 3.48Å; P111-S114 PolarHBondContact O-N 2.9Å; P111-S114 VanDerWaalsContact O-N 3.11Å; P111-S114 PolarHBondContact O-OG 3.37Å; P111-V189 HydrophobicContact CB-CG1 4.18Å; P111-C190 WeakPolarHBondContact CB-O 3.4Å; P111-P192 VanDerWaalsContact CG-CD 3.49Å; P111-P192 HydrophobicContact CG-CG 3.54Å
112	R	98.8	Very high	98.3	Very high	28 Å²	28	24.4 Å²	24.4	11%	0.106	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	138.5	175.2	-170.4	172.2	61.2	-111.5	5.3	111.8	V110 S114 I151 W152 N153 G186 T187 Q188 V189	V110-R112 PolarHBondContact O-N 3.37Å; R112-S114 PolarHBondContact O-N 2.99Å; R112-I151 WeakPolarHBondContact CD-O 3.38Å; R112-I151 WeakPolarHBondContact CG-O 3.5Å; R112-W152 WeakPolarHBondContact CA-O 3.39Å; R112-W152 WeakPolarHBondContact CB-O 3.31Å; R112-W152 PolarHBondContact N-O 2.87Å; R112-N153 PolarHBondContact N-OD1 3.47Å; R112-G186 PolarHBondContact NH1-O 3.28Å; R112-T187 PolarHBondContact NH2-O 2.88Å; R112-Q188 PolarHBondContact NH1-O 2.78Å; R112-V189 HydrophobicContact CB-CG1 4.4Å; R112-V189 HydrophobicContact CB-CG2 4.41Å
113	W	98.8	Very high	98.4	Very high	128 Å²	128	26.4 Å²	26.4	49%	0.485	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	21.3	-176.6	-47.5	-46.1	0	0	0	115.5	P111 K148 Y150 V189	P111-W113 PolarHBondContact O-N 2.87Å; W113-K148 WeakPolarHBondContact CA-O 3.33Å; W113-K148 HydrophobicContact CB-CD 4.12Å; W113-K148 HydrophobicContact CB-CG 4.26Å; W113-K148 WeakPolarHBondContact O-CE 3.43Å; W113-K148 PolarHBondContact O-NZ 3.09Å; W113-Y150 PolarHBondContact N-O 3.41Å; W113-V189 HydrophobicContact CE3-CG2 4.07Å; W113-V189 HydrophobicContact CZ3-CG2 3.91Å
114	S	98.7	Very high	98.4	Very high	35 Å²	35	26.9 Å²	26.9	25%	0.245	13%	0.128	C	C	.	.			trans	-104.2	166.2	165.5	77.8	0	0	0	0	111.3	V110 P111 R112 G149 Y150	V110-S114 WeakPolarHBondContact CG1-OG 3.49Å; P111-S114 WeakPolarHBondContact O-CB 3.48Å; P111-S114 PolarHBondContact O-N 2.9Å; P111-S114 VanDerWaalsContact O-N 3.11Å; P111-S114 PolarHBondContact O-OG 3.37Å; R112-S114 PolarHBondContact O-N 2.99Å; S114-G149 VanDerWaalsContact O-CA 3.25Å; S114-G149 WeakPolarHBondContact O-CA 3.34Å; S114-Y150 PolarHBondContact O-N 2.95Å
115	N	98.7	Very high	98.3	Very high	38 Å²	38	30.7 Å²	30.7	20%	0.203	15%	0.154	C	C	.	.			trans	-119.6	-19.8	-169.8	-66.1	89.9	0	0	0	114.2	K117 Y140 V141 N143 G149	N115-K117 PolarHBondContact O-N 3.18Å; N115-Y140 HydrophobicContact CB-CD1 4.18Å; N115-Y140 CarbonylContact O-C 3.58Å; N115-Y140 WeakPolarHBondContact O-CA 3.45Å; N115-V141 PolarHBondContact ND2-O 3.33Å; N115-V141 PolarHBondContact O-N 3.39Å; N115-N143 PolarHBondContact ND2-OD1 3.22Å; N115-G149 WeakPolarHBondContact ND2-CA 3.39Å
116	A	98.5	Very high	98.3	Very high	17 Å²	17	33.5 Å²	33.5	14%	0.14	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-66.1	124.1	-178.9	0	0	0	0	0	109.5	V110 M118 Q131 Y140	V110-A116 WeakPolarHBondContact CG1-O 3.4Å; V110-A116 WeakPolarHBondContact CG2-O 3.3Å; A116-M118 VanDerWaalsContact C-N 3.32Å; A116-M118 HydrophobicContact CB-CG 4.25Å; A116-M118 HydrophobicContact CB-SD 3.98Å; A116-M118 PolarHBondContact O-N 2.76Å; A116-Q131 HydrophobicContact CB-CG 4.45Å; A116-Y140 HydrophobicContact CB-CD1 4.04Å; A116-Y140 HydrophobicContact CB-CE1 3.85Å
117	K	98.3	Very high	98.3	Very high	37 Å²	37	33.5 Å²	33.5	16%	0.161	17%	0.168	C	C	.	.			trans	-75.4	93.1	170.6	-174.8	-179.3	-170.1	-67.2	0	107.5	N115 E119 Q131 D132 R139 V141	N115-K117 PolarHBondContact O-N 3.18Å; K117-E119 IonicContact NZ-OE2 3.9Å; K117-E119 PolarHBondContact NZ-OE2 3.16Å; K117-Q131 CarbonylContact O-C 3.53Å; K117-Q131 WeakPolarHBondContact O-CA 3.35Å; K117-Q131 WeakPolarHBondContact O-CG 3.4Å; K117-D132 HydrophobicContact CB-CB 4.21Å; K117-D132 HydrophobicContact CD-CB 3.95Å; K117-D132 WeakPolarHBondContact CD-OD2 3.46Å; K117-D132 HydrophobicContact CG-CB 4.15Å; K117-D132 PolarHBondContact O-N 3.08Å; K117-R139 HydrophobicContact CB-CB 4.45Å; K117-R139 HydrophobicContact CB-CG 4.43Å; K117-R139 PolarHBondContact N-O 3.46Å; K117-R139 VanDerWaalsContact N-O 3.15Å; K117-V141 HydrophobicContact CB-CG2 4.48Å
118	M	98.7	Very high	98.3	Very high	15 Å²	15	33.5 Å²	33.5	7%	0.074	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	146.5	169	-50.7	-60.3	-61.2	0	0	108.8	Y61 E109 V110 A116 I129 K130 Q131	Y61-M118 HydrophobicContact CD1-CE 3.9Å; Y61-M118 HydrophobicContact CE1-CE 4Å; E109-M118 HydrophobicContact CB-CB 4.3Å; E109-M118 WeakPolarHBondContact O-CB 3.45Å; V110-M118 HydrophobicContact CG2-CB 3.85Å; V110-M118 HydrophobicContact CG2-CG 4.3Å; V110-M118 WeakPolarHBondContact CG2-O 3.31Å; A116-M118 VanDerWaalsContact C-N 3.32Å; A116-M118 HydrophobicContact CB-CG 4.25Å; A116-M118 HydrophobicContact CB-SD 3.98Å; A116-M118 PolarHBondContact O-N 2.76Å; M118-I129 HydrophobicContact CB-CG2 3.78Å; M118-I129 HydrophobicContact CE-CG2 3.96Å; M118-K130 CarbonylContact C-O 3.51Å; M118-K130 WeakPolarHBondContact CA-O 3.23Å; M118-K130 VanDerWaalsContact CE-C 3.43Å; M118-Q131 HydrophobicContact CE-CB 4.21Å; M118-Q131 HydrophobicContact SD-CB 3.67Å; M118-Q131 HydrophobicContact SD-CG 3.93Å
119	E	98.6	Very high	98.3	Very high	38 Å²	38	33.5 Å²	33.5	18%	0.178	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	148.6	-178	65.6	-159	-172.6	0	0	110.3	E109 K117 A121 I129 K130	E109-E119 WeakPolarHBondContact OE1-CA 3.44Å; K117-E119 IonicContact NZ-OE2 3.9Å; K117-E119 PolarHBondContact NZ-OE2 3.16Å; E119-A121 PolarHBondContact O-N 2.72Å; E119-I129 CarbonylContact O-C 3.56Å; E119-I129 VanDerWaalsContact O-CA 3.29Å; E119-I129 WeakPolarHBondContact O-CA 3.21Å; E119-K130 HydrophobicContact CG-CG 4.43Å; E119-K130 PolarHBondContact N-O 2.69Å; E119-K130 PolarHBondContact O-N 3.31Å
120	I	98.8	Very high	98.2	Very high	6 Å²	6	35 Å²	35	3%	0.031	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	123.7	165.3	-75.4	167.9	0	0	0	108.4	P75 F76 V107 E109 T122 N127 I129	P75-I120 HydrophobicContact CB-CD1 4.35Å; P75-I120 HydrophobicContact CG-CD1 4.44Å; P75-I120 HydrophobicContact CG-CG1 4.15Å; F76-I120 HydrophobicContact CB-CG2 4.03Å; F76-I120 HydrophobicContact CG-CG2 4.47Å; V107-I120 HydrophobicContact CB-CD1 4.24Å; V107-I120 HydrophobicContact CG1-CD1 4.14Å; E109-I120 WeakPolarHBondContact OE1-CG1 3.3Å; E109-I120 PolarHBondContact OE1-N 3.28Å; I120-T122 VanDerWaalsContact C-N 3.31Å; I120-T122 HydrophobicContact CG2-CG2 4.3Å; I120-T122 PolarHBondContact O-N 3.07Å; I120-N127 HydrophobicContact CG2-CB 3.8Å; I120-I129 HydrophobicContact CG1-CG1 4Å
121	A	98.3	Very high	98.2	Very high	2 Å²	2	35.3 Å²	35.3	2%	0.017	18%	0.176	C	C	.	.			trans	-75.3	81.5	177.7	0	0	0	0	0	111	E119 K123 E124 N127 P128 K130	E119-A121 PolarHBondContact O-N 2.72Å; A121-K123 PolarHBondContact O-N 3.13Å; A121-E124 HydrophobicContact CB-CB 3.79Å; A121-E124 HydrophobicContact CB-CG 3.95Å; A121-E124 PolarHBondContact O-N 2.98Å; A121-N127 WeakPolarHBondContact O-CA 3.29Å; A121-N127 WeakPolarHBondContact O-CB 3.19Å; A121-N127 PolarHBondContact O-ND2 2.81Å; A121-P128 HydrophobicContact CB-CG 4.46Å; A121-P128 WeakPolarHBondContact CB-O 3.36Å; A121-P128 PolarHBondContact N-O 2.93Å; A121-K130 HydrophobicContact CB-CD 3.76Å; A121-K130 HydrophobicContact CB-CG 4.06Å
122	T	97.4	Very high	98.1	Very high	9 Å²	9	35.7 Å²	35.7	6%	0.055	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-20.9	-178.3	53.3	0	0	0	0	114.2	F76 I120 N127 D178 P179 I300 E301	F76-T122 HydrophobicContact CD1-CG2 3.99Å; F76-T122 HydrophobicContact CE1-CG2 3.73Å; I120-T122 VanDerWaalsContact C-N 3.31Å; I120-T122 HydrophobicContact CG2-CG2 4.3Å; I120-T122 PolarHBondContact O-N 3.07Å; T122-N127 PolarHBondContact O-ND2 2.95Å; T122-D178 WeakPolarHBondContact CG2-OD1 3.24Å; T122-D178 PolarHBondContact OG1-OD1 3Å; T122-D178 VanDerWaalsContact OG1-OD1 3.13Å; T122-P179 HydrophobicContact CG2-CG 4.33Å; T122-I300 WeakPolarHBondContact O-CA 3.24Å; T122-E301 PolarHBondContact O-N 2.92Å
123	K	96.1	Very high	97.9	Very high	114 Å²	114	37.6 Å²	37.6	50%	0.496	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	19.2	-178.4	-39.3	-165.4	-174.7	-159.9	0	114	A121 G298 G299	A121-K123 PolarHBondContact O-N 3.13Å; K123-G298 PolarHBondContact NZ-O 3.45Å; K123-G299 WeakPolarHBondContact CB-O 3.23Å; K123-G299 VanDerWaalsContact CG-O 3.31Å; K123-G299 WeakPolarHBondContact CG-O 3.48Å
124	E	97.1	Very high	97.5	Very high	43 Å²	43	35 Å²	35	20%	0.201	18%	0.184	C	C	.	.	S	Bend	trans	-122.4	141.8	172.5	-68.4	-179.4	-150.2	0	0	110.7	R62 A121 L126 N127 K130	R62-E124 IonicContact CZ-OE1 3.41Å; R62-E124 IonicContact CZ-OE2 2.65Å; R62-E124 IonicContact NE-OE1 2.75Å; R62-E124 IonicContact NE-OE2 2.82Å; R62-E124 PolarHBondContact NE-OE2 2.6Å; R62-E124 IonicContact NH2-OE1 3.2Å; R62-E124 PolarHBondContact NH2-OE1 3.46Å; R62-E124 IonicContact NH2-OE2 3.62Å; R62-E124 PolarHBondContact NH2-OE2 3.21Å; A121-E124 HydrophobicContact CB-CB 3.79Å; A121-E124 HydrophobicContact CB-CG 3.95Å; A121-E124 PolarHBondContact O-N 2.98Å; E124-L126 PolarHBondContact O-N 3.49Å; E124-N127 VanDerWaalsContact O-CA 3.28Å; E124-N127 WeakPolarHBondContact O-CA 3.37Å; E124-N127 PolarHBondContact O-N 2.82Å; E124-N127 PolarHBondContact O-ND2 3.43Å; E124-K130 VanDerWaalsContact OE1-CD 3.27Å; E124-K130 WeakPolarHBondContact OE1-CD 3.4Å; E124-K130 IonicContact OE1-NZ 3.63Å; E124-K130 PolarHBondContact OE1-NZ 3.3Å
125	P	96.7	Very high	97	Very high	92 Å²	92	43.3 Å²	43.3	60%	0.597	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	137.4	177.8	-27	35.2	0	0	0	113	N127 P128	P125-N127 PolarHBondContact O-N 2.77Å; P125-P128 WeakPolarHBondContact O-CD 3.18Å
126	L	97.3	Very high	96.7	Very high	71 Å²	71	44.7 Å²	44.7	37%	0.372	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	10.3	-171.3	-53.4	169.1	0	0	0	114.6	Y64 P75 E124 P128	Y64-L126 HydrophobicContact CD1-CB 4.29Å; Y64-L126 HydrophobicContact CD1-CD1 4.46Å; Y64-L126 HydrophobicContact CE1-CB 4.39Å; P75-L126 WeakPolarHBondContact CD-O 3.2Å; E124-L126 PolarHBondContact O-N 3.49Å; L126-P128 VanDerWaalsContact C-CD 3.4Å; L126-P128 VanDerWaalsContact C-N 3.33Å; L126-P128 VanDerWaalsContact O-N 3.08Å
127	N	98.6	Very high	96.6	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.266	C	S	.	.			trans	38.6	49.4	173.8	-35.7	90.2	0	0	0	114.9	S74 P75 F76 H77 I120 A121 T122 E124 P125 E301	S74-N127 WeakPolarHBondContact CB-OD1 3.25Å; S74-N127 PolarHBondContact OG-OD1 3Å; P75-N127 WeakPolarHBondContact CD-O 3.21Å; P75-N127 WeakPolarHBondContact CG-O 3.32Å; F76-N127 HydrophobicContact CB-CB 4.01Å; H77-N127 PolarHBondContact CD2-OD1 3.43Å; H77-N127 VanDerWaalsContact CD2-OD1 3.23Å; I120-N127 HydrophobicContact CG2-CB 3.8Å; A121-N127 WeakPolarHBondContact O-CA 3.29Å; A121-N127 WeakPolarHBondContact O-CB 3.19Å; A121-N127 PolarHBondContact O-ND2 2.81Å; T122-N127 PolarHBondContact O-ND2 2.95Å; E124-N127 VanDerWaalsContact O-CA 3.28Å; E124-N127 WeakPolarHBondContact O-CA 3.37Å; E124-N127 PolarHBondContact O-N 2.82Å; E124-N127 PolarHBondContact O-ND2 3.43Å; P125-N127 PolarHBondContact O-N 2.77Å; N127-E301 PolarHBondContact ND2-O 3.23Å
128	P	98.7	Very high	96.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.267	C	S	.	.			trans	-57.8	150.8	-179.8	26.8	-37.3	0	0	0	111.4	R62 I63 Y64 A121 P125 L126 K130	R62-P128 HydrophobicContact CB-CB 4.08Å; R62-P128 HydrophobicContact CB-CG 4.44Å; R62-P128 HydrophobicContact CG-CB 4.45Å; R62-P128 HydrophobicContact CG-CG 4.3Å; I63-P128 WeakPolarHBondContact O-CA 3.43Å; I63-P128 WeakPolarHBondContact O-CB 3.33Å; Y64-P128 HydrophobicContact CD1-CB 3.77Å; Y64-P128 HydrophobicContact CD1-CG 4.2Å; Y64-P128 HydrophobicContact CD2-CB 4.34Å; Y64-P128 HydrophobicContact CE1-CB 3.69Å; Y64-P128 HydrophobicContact CE1-CG 3.62Å; Y64-P128 HydrophobicContact CE2-CB 4.28Å; Y64-P128 HydrophobicContact CG-CB 4.1Å; A121-P128 HydrophobicContact CB-CG 4.46Å; A121-P128 WeakPolarHBondContact CB-O 3.36Å; A121-P128 PolarHBondContact N-O 2.93Å; P125-P128 WeakPolarHBondContact O-CD 3.18Å; L126-P128 VanDerWaalsContact C-CD 3.4Å; L126-P128 VanDerWaalsContact C-N 3.33Å; L126-P128 VanDerWaalsContact O-N 3.08Å; P128-K130 PolarHBondContact O-N 2.74Å
129	I	98.8	Very high	96.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	131.2	169.6	-67.3	165	0	0	0	108.8	R62 I63 F65 V107 E109 M118 E119 I120	R62-I129 CarbonylContact C-O 3.57Å; R62-I129 WeakPolarHBondContact CA-O 3.35Å; I63-I129 HydrophobicContact CB-CB 4.2Å; I63-I129 HydrophobicContact CD1-CG2 4.43Å; I63-I129 PolarHBondContact N-O 2.87Å; I63-I129 PolarHBondContact O-N 2.92Å; F65-I129 HydrophobicContact CE2-CD1 3.82Å; F65-I129 HydrophobicContact CE2-CG1 4.06Å; F65-I129 HydrophobicContact CZ-CD1 3.66Å; F65-I129 HydrophobicContact CZ-CG1 4.38Å; V107-I129 HydrophobicContact CG1-CD1 3.95Å; E109-I129 HydrophobicContact CG-CD1 4.1Å; E109-I129 HydrophobicContact CG-CG1 4.35Å; M118-I129 HydrophobicContact CB-CG2 3.78Å; M118-I129 HydrophobicContact CE-CG2 3.96Å; E119-I129 CarbonylContact O-C 3.56Å; E119-I129 VanDerWaalsContact O-CA 3.29Å; E119-I129 WeakPolarHBondContact O-CA 3.21Å; I120-I129 HydrophobicContact CG1-CG1 4Å
130	K	98.4	Very high	96.5	Very high	43 Å²	43	55.3 Å²	55.3	19%	0.187	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	173.1	175.8	71.4	179.6	171.5	-176.6	0	110.6	M118 E119 A121 E124 P128	M118-K130 CarbonylContact C-O 3.51Å; M118-K130 WeakPolarHBondContact CA-O 3.23Å; M118-K130 VanDerWaalsContact CE-C 3.43Å; E119-K130 HydrophobicContact CG-CG 4.43Å; E119-K130 PolarHBondContact N-O 2.69Å; E119-K130 PolarHBondContact O-N 3.31Å; A121-K130 HydrophobicContact CB-CD 3.76Å; A121-K130 HydrophobicContact CB-CG 4.06Å; E124-K130 VanDerWaalsContact OE1-CD 3.27Å; E124-K130 WeakPolarHBondContact OE1-CD 3.4Å; E124-K130 IonicContact OE1-NZ 3.63Å; E124-K130 PolarHBondContact OE1-NZ 3.3Å; P128-K130 PolarHBondContact O-N 2.74Å
131	Q	98.6	Very high	96.4	Very high	7 Å²	7	55.4 Å²	55.4	3%	0.033	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	136.8	170.8	-164.8	172	-1.2	0	0	110.6	A116 K117 M118 L138 R139 Y140	A116-Q131 HydrophobicContact CB-CG 4.45Å; K117-Q131 CarbonylContact O-C 3.53Å; K117-Q131 WeakPolarHBondContact O-CA 3.35Å; K117-Q131 WeakPolarHBondContact O-CG 3.4Å; M118-Q131 HydrophobicContact CE-CB 4.21Å; M118-Q131 HydrophobicContact SD-CB 3.67Å; M118-Q131 HydrophobicContact SD-CG 3.93Å; Q131-L138 HydrophobicContact CB-CD2 3.98Å; Q131-L138 HydrophobicContact CG-CB 4.49Å; Q131-L138 HydrophobicContact CG-CD2 4.13Å; Q131-R139 PolarHBondContact NE2-O 2.83Å; Q131-Y140 VanDerWaalsContact NE2-CZ 3.26Å
132	D	96.6	Very high	96.4	Very high	27 Å²	27	56.7 Å²	56.7	14%	0.144	29%	0.291	C	S	.	.			trans	-57.6	138.3	172.8	179.7	0.9	0	0	0	110.3	K117 R139	K117-D132 HydrophobicContact CB-CB 4.21Å; K117-D132 HydrophobicContact CD-CB 3.95Å; K117-D132 WeakPolarHBondContact CD-OD2 3.46Å; K117-D132 HydrophobicContact CG-CB 4.15Å; K117-D132 PolarHBondContact O-N 3.08Å; D132-R139 HydrophobicContact CB-CB 4.02Å; D132-R139 PolarHBondContact O-N 3.09Å; D132-R139 WeakPolarHBondContact OD2-CD 3.25Å; D132-R139 IonicContact OD2-CZ 3.77Å; D132-R139 IonicContact OD2-NE 2.76Å; D132-R139 IonicContact OD2-NH1 2.68Å; D132-R139 PolarHBondContact OD2-NH1 3.45Å
133	V	94.8	Very high	96.4	Very high	68 Å²	68	60.9 Å²	60.9	41%	0.412	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	103.2	179.5	-179.9	0	0	0	0	110.3	P59 K137 L138	P59-V133 HydrophobicContact CB-CG2 4.46Å; V133-K137 CarbonylContact C-O 3.57Å; V133-K137 WeakPolarHBondContact CA-O 3.32Å; V133-L138 HydrophobicContact CG2-CD2 4.13Å
134	K	89.4	Confident	96.5	Very high	73 Å²	73	56.6 Å²	56.6	32%	0.317	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	122.7	-179.7	-163.7	169.6	-179.5	179	0	109.9	G136 K137 D257	K134-G136 VanDerWaalsContact C-N 3.26Å; K134-G136 PolarHBondContact O-N 3.25Å; K134-K137 PolarHBondContact N-O 3.47Å; K134-K137 PolarHBondContact O-N 2.96Å; K134-K137 VanDerWaalsContact O-N 3.1Å; K134-D257 IonicContact NZ-OD2 3.83Å; K134-D257 PolarHBondContact NZ-OD2 2.71Å
135	K	89.6	Confident	96.5	Very high	209 Å²	209	63.7 Å²	63.7	91%	0.909	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	40.3	-177.6	-58	178	178.8	176.5	0	113.3	K137	K135-K137 VanDerWaalsContact C-N 3.27Å; K135-K137 PolarHBondContact O-N 2.93Å
136	G	92.1	Very high	96.5	Very high	68 Å²	68	63.5 Å²	63.5	70%	0.701	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.5	11	179.7	0	0	0	0	0	115.3	K134	K134-G136 VanDerWaalsContact C-N 3.26Å; K134-G136 PolarHBondContact O-N 3.25Å
137	K	95.1	Very high	96.6	Very high	160 Å²	160	61.4 Å²	61.4	70%	0.696	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122	144.9	176	-64.4	-175.6	179.9	-177	0	110.6	V133 K134 K135 R139	V133-K137 CarbonylContact C-O 3.57Å; V133-K137 WeakPolarHBondContact CA-O 3.32Å; K134-K137 PolarHBondContact N-O 3.47Å; K134-K137 PolarHBondContact O-N 2.96Å; K134-K137 VanDerWaalsContact O-N 3.1Å; K135-K137 VanDerWaalsContact C-N 3.27Å; K135-K137 PolarHBondContact O-N 2.93Å; K137-R139 PolarHBondContact O-N 2.95Å
138	L	97.2	Very high	96.5	Very high	36 Å²	36	67 Å²	67	19%	0.188	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	132.3	171.5	-63.4	169.3	0	0	0	110.4	N57 P59 Q131 V133 Y140	N57-L138 WeakPolarHBondContact O-CD1 3.41Å; P59-L138 HydrophobicContact CG-CD2 4.24Å; Q131-L138 HydrophobicContact CB-CD2 3.98Å; Q131-L138 HydrophobicContact CG-CB 4.49Å; Q131-L138 HydrophobicContact CG-CD2 4.13Å; V133-L138 HydrophobicContact CG2-CD2 4.13Å; L138-Y140 HydrophobicContact CB-CE2 3.87Å
139	R	97.8	Very high	96.5	Very high	34 Å²	34	67 Å²	67	13%	0.128	34%	0.338	C	S	.	.			trans	-86.4	131.9	179.8	-169.7	-179.4	176.3	-171.1	-7.2	110.9	K117 Q131 D132 K137	K117-R139 HydrophobicContact CB-CB 4.45Å; K117-R139 HydrophobicContact CB-CG 4.43Å; K117-R139 PolarHBondContact N-O 3.46Å; K117-R139 VanDerWaalsContact N-O 3.15Å; Q131-R139 PolarHBondContact NE2-O 2.83Å; D132-R139 HydrophobicContact CB-CB 4.02Å; D132-R139 PolarHBondContact O-N 3.09Å; D132-R139 WeakPolarHBondContact OD2-CD 3.25Å; D132-R139 IonicContact OD2-CZ 3.77Å; D132-R139 IonicContact OD2-NE 2.76Å; D132-R139 IonicContact OD2-NH1 2.68Å; D132-R139 PolarHBondContact OD2-NH1 3.45Å; K137-R139 PolarHBondContact O-N 2.95Å
140	Y	98.1	Very high	96.5	Very high	100 Å²	100	67.4 Å²	67.4	39%	0.392	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-124.8	129.3	169.4	-65.6	-94.4	0	0	0	108.1	N57 N115 A116 Q131 L138	N57-Y140 WeakPolarHBondContact CB-OH 3.42Å; N57-Y140 PolarHBondContact OD1-OH 2.87Å; N115-Y140 HydrophobicContact CB-CD1 4.18Å; N115-Y140 CarbonylContact O-C 3.58Å; N115-Y140 WeakPolarHBondContact O-CA 3.45Å; A116-Y140 HydrophobicContact CB-CD1 4.04Å; A116-Y140 HydrophobicContact CB-CE1 3.85Å; Q131-Y140 VanDerWaalsContact NE2-CZ 3.26Å; L138-Y140 HydrophobicContact CB-CE2 3.87Å
141	V	97.8	Very high	96.6	Very high	7 Å²	7	66 Å²	66	4%	0.042	33%	0.334	C	S	.	.			trans	-71.6	137.1	173.1	-179.9	0	0	0	0	109.2	N115 K117 Y150 W249 Y253	N115-V141 PolarHBondContact ND2-O 3.33Å; N115-V141 PolarHBondContact O-N 3.39Å; K117-V141 HydrophobicContact CB-CG2 4.48Å; V141-Y150 HydrophobicContact CB-CE2 4.02Å; V141-Y150 HydrophobicContact CG2-CE2 3.62Å; V141-W249 HydrophobicContact CG1-CH2 3.98Å; V141-W249 HydrophobicContact CG1-CZ2 3.68Å; V141-Y253 HydrophobicContact CG1-CD2 4.07Å; V141-Y253 HydrophobicContact CG2-CD2 4.32Å
142	A	97.6	Very high	96.6	Very high	29 Å²	29	66.6 Å²	66.6	24%	0.24	34%	0.335	C	S	.	.			trans	-67	156.3	-178.3	0	0	0	0	0	112.9	P256	A142-P256 HydrophobicContact CB-CB 3.76Å; A142-P256 HydrophobicContact CB-CG 3.74Å
143	N	98.5	Very high	96.7	Very high	97 Å²	97	65.3 Å²	65.3	52%	0.519	33%	0.329	S	S	.	.			trans	-81.2	114.6	162.5	-62.6	-38.3	0	0	0	108	N115 G149	N115-N143 PolarHBondContact ND2-OD1 3.22Å; N143-G149 PolarHBondContact OD1-N 2.79Å
144	I	97.1	Very high	96.9	Very high	25 Å²	25	63 Å²	63	13%	0.128	31%	0.312	C	S	.	.			trans	-104	108.7	176.1	-61.8	-172.5	0	0	0	107.3	H147 K252 P256	I144-H147 PolarHBondContact N-O 3.37Å; I144-H147 WeakPolarHBondContact O-CA 3.48Å; I144-H147 VanDerWaalsContact O-CB 3.24Å; I144-H147 WeakPolarHBondContact O-CB 3.5Å; I144-H147 PolarHBondContact O-CD2 3.12Å; I144-H147 PolarHBondContact O-N 2.98Å; I144-K252 HydrophobicContact CD1-CB 3.79Å; I144-K252 WeakPolarHBondContact CD1-O 3.47Å; I144-K252 HydrophobicContact CG2-CB 4.43Å; I144-P256 HydrophobicContact CD1-CG 4.07Å; I144-P256 HydrophobicContact CG1-CG 4.15Å
145	F	96.8	Very high	97.3	Very high	191 Å²	191	59.5 Å²	59.5	84%	0.838	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	129.2	-177.9	177.9	-88.8	0	0	0	111.1
146	P	97.5	Very high	97.8	Very high	89 Å²	89	49.6 Å²	49.6	58%	0.578	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	cis	-90	3.5	10.9	36.5	-37.2	0	0	0	115.5
147	H	98.3	Very high	98.1	Very high	27 Å²	27	46.3 Å²	46.3	13%	0.125	22%	0.221	C	C	.	.			trans	-81.8	144.8	-171.1	-47.3	-57.7	0	0	0	114.1	I144 I151	I144-H147 PolarHBondContact N-O 3.37Å; I144-H147 WeakPolarHBondContact O-CA 3.48Å; I144-H147 VanDerWaalsContact O-CB 3.24Å; I144-H147 WeakPolarHBondContact O-CB 3.5Å; I144-H147 PolarHBondContact O-CD2 3.12Å; I144-H147 PolarHBondContact O-N 2.98Å; H147-I151 HydrophobicContact CB-CG2 3.66Å
148	K	98.4	Very high	98.3	Very high	118 Å²	118	38.8 Å²	38.8	51%	0.513	19%	0.188	S	C	.	.			trans	-106.7	115.2	168.1	177.7	179.9	178.1	-111.6	0	109.2	W113	W113-K148 WeakPolarHBondContact CA-O 3.33Å; W113-K148 HydrophobicContact CB-CD 4.12Å; W113-K148 HydrophobicContact CB-CG 4.26Å; W113-K148 WeakPolarHBondContact O-CE 3.43Å; W113-K148 PolarHBondContact O-NZ 3.09Å
149	G	98.6	Very high	98.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	53.8	-146.9	177.1	0	0	0	0	0	113.2	S114 N115 N143 W249	S114-G149 VanDerWaalsContact O-CA 3.25Å; S114-G149 WeakPolarHBondContact O-CA 3.34Å; N115-G149 WeakPolarHBondContact ND2-CA 3.39Å; N143-G149 PolarHBondContact OD1-N 2.79Å; G149-W249 PolarHBondContact O-NE1 3.46Å
150	Y	98.8	Very high	98.4	Very high	7 Å²	7	37 Å²	37	3%	0.027	18%	0.181	C	C	.	.			trans	-65.5	130.3	168.5	-74.6	-103.8	0	0	0	110.2	V110 W113 S114 V141 Y154 W249	V110-Y150 HydrophobicContact CB-CD1 4.43Å; V110-Y150 HydrophobicContact CB-CD2 4.12Å; V110-Y150 HydrophobicContact CB-CE2 4.23Å; V110-Y150 HydrophobicContact CB-CG 4.23Å; V110-Y150 HydrophobicContact CG1-CD2 3.65Å; V110-Y150 HydrophobicContact CG1-CE2 3.98Å; V110-Y150 HydrophobicContact CG1-CG 4.08Å; V110-Y150 HydrophobicContact CG2-CE2 4.31Å; W113-Y150 PolarHBondContact N-O 3.41Å; S114-Y150 PolarHBondContact O-N 2.95Å; V141-Y150 HydrophobicContact CB-CE2 4.02Å; V141-Y150 HydrophobicContact CG2-CE2 3.62Å; Y150-Y154 HydrophobicContact CD1-CD1 4.28Å; Y150-Y154 HydrophobicContact CD1-CD2 4.02Å; Y150-Y154 AromaticContact CD1-CG 3.73Å; Y150-Y154 HydrophobicContact CD1-CG 3.73Å; Y150-Y154 AromaticContact CE1-CD1 3.8Å; Y150-Y154 HydrophobicContact CE1-CD1 3.8Å; Y150-Y154 HydrophobicContact CE1-CD2 4.04Å; Y150-Y154 HydrophobicContact CE1-CE1 4.2Å; Y150-Y154 HydrophobicContact CE1-CE2 4.38Å; Y150-Y154 AromaticContact CE1-CG 3.69Å; Y150-Y154 HydrophobicContact CE1-CG 3.69Å; Y150-W249 AromaticContact CD1-CH2 3.76Å; Y150-W249 HydrophobicContact CD1-CH2 3.76Å; Y150-W249 HydrophobicContact CD1-CZ2 4.02Å; Y150-W249 HydrophobicContact CD2-CZ2 4.3Å; Y150-W249 AromaticContact CE1-CH2 3.68Å; Y150-W249 HydrophobicContact CE1-CH2 3.68Å; Y150-W249 HydrophobicContact CE1-CZ2 4.32Å; Y150-W249 HydrophobicContact CE1-CZ3 4.48Å; Y150-W249 HydrophobicContact CE2-CH2 4.43Å; Y150-W249 HydrophobicContact CG-CH2 4.2Å; Y150-W249 HydrophobicContact CG-CZ2 4.02Å
151	I	98.8	Very high	98.4	Very high	15 Å²	15	32.2 Å²	32.2	8%	0.077	16%	0.162	C	C	.	.	S	Bend	trans	-87.3	-5.4	-178.8	50.8	171.8	0	0	0	113.9	R112 H147 A245 W249	R112-I151 WeakPolarHBondContact CD-O 3.38Å; R112-I151 WeakPolarHBondContact CG-O 3.5Å; H147-I151 HydrophobicContact CB-CG2 3.66Å; I151-A245 HydrophobicContact CD1-CB 4.25Å; I151-W249 HydrophobicContact CD1-CB 3.79Å; I151-W249 HydrophobicContact CD1-CG 4.01Å; I151-W249 HydrophobicContact CG1-CB 4.35Å; I151-W249 HydrophobicContact CG1-CG 4.06Å
152	W	98.9	Very high	98.4	Very high	18 Å²	18	32.3 Å²	32.3	7%	0.068	16%	0.162	C	C	.	.	S	Bend	trans	-120.9	167.5	176.2	-44	123.3	0	0	0	110.6	R112 C183 I185 H242 T246	R112-W152 WeakPolarHBondContact CA-O 3.39Å; R112-W152 WeakPolarHBondContact CB-O 3.31Å; R112-W152 PolarHBondContact N-O 2.87Å; W152-C183 HydrophobicContact CB-CB 3.98Å; W152-C183 VanDerWaalsContact CD1-CB 3.41Å; W152-C183 HydrophobicContact CG-CB 3.67Å; W152-I185 HydrophobicContact CD2-CG2 4.36Å; W152-I185 HydrophobicContact CE3-CG2 4.05Å; W152-H242 AromaticContact CE3-CE1 3.91Å; W152-H242 AromaticContact CE3-NE2 3.88Å; W152-H242 AromaticContact CH2-CD2 3.57Å; W152-H242 AromaticContact CH2-CE1 3.52Å; W152-H242 AromaticContact CH2-CG 3.65Å; W152-H242 AromaticContact CH2-ND1 3.6Å; W152-H242 AromaticContact CH2-NE2 3.52Å; W152-H242 AromaticContact CZ3-CD2 3.85Å; W152-H242 AromaticContact CZ3-CE1 3.05Å; W152-H242 WeakPolarHBondContact CZ3-CE1 3.14Å; W152-H242 AromaticContact CZ3-ND1 3.54Å; W152-H242 AromaticContact CZ3-NE2 3.27Å; W152-H242 VanDerWaalsContact CZ3-NE2 3.27Å; W152-H242 WeakPolarHBondContact CZ3-NE2 3.35Å; W152-T246 WeakPolarHBondContact CZ2-OG1 3.42Å
153	N	98.9	Very high	98.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	128.4	151.2	-59.8	-50.9	0	0	0	106.1	V110 R112 D184 Q188 C190	V110-N153 CarbonylContact O-C 3.5Å; V110-N153 WeakPolarHBondContact O-CA 3.45Å; R112-N153 PolarHBondContact N-OD1 3.47Å; N153-D184 HydrophobicContact CB-CB 4.06Å; N153-D184 PolarHBondContact N-O 3.48Å; N153-D184 VanDerWaalsContact N-O 3.09Å; N153-D184 PolarHBondContact ND2-OD2 2.85Å; N153-D184 PolarHBondContact O-N 2.58Å; N153-Q188 PolarHBondContact ND2-O 2.86Å; N153-C190 HydrophobicContact CB-CB 4.34Å; N153-C190 PolarHBondContact OD1-N 2.76Å
154	Y	98.9	Very high	98.3	Very high	19 Å²	19	29 Å²	29	8%	0.075	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	149.9	-171.7	-171	-87.8	0	0	0	110.9	E109 V110 Y150 D181 V182 K215 F250	E109-Y154 PolarHBondContact N-O 3.44Å; V110-Y154 WeakPolarHBondContact CA-O 3.38Å; V110-Y154 PolarHBondContact N-O 3.25Å; V110-Y154 PolarHBondContact O-N 3.1Å; Y150-Y154 HydrophobicContact CD1-CD1 4.28Å; Y150-Y154 HydrophobicContact CD1-CD2 4.02Å; Y150-Y154 AromaticContact CD1-CG 3.73Å; Y150-Y154 HydrophobicContact CD1-CG 3.73Å; Y150-Y154 AromaticContact CE1-CD1 3.8Å; Y150-Y154 HydrophobicContact CE1-CD1 3.8Å; Y150-Y154 HydrophobicContact CE1-CD2 4.04Å; Y150-Y154 HydrophobicContact CE1-CE1 4.2Å; Y150-Y154 HydrophobicContact CE1-CE2 4.38Å; Y150-Y154 AromaticContact CE1-CG 3.69Å; Y150-Y154 HydrophobicContact CE1-CG 3.69Å; Y154-D181 WeakPolarHBondContact CE1-OD1 3.41Å; Y154-D181 VanDerWaalsContact CZ-CG 3.47Å; Y154-D181 PolarHBondContact OH-OD1 2.9Å; Y154-D181 PolarHBondContact OH-OD2 2.98Å; Y154-V182 WeakPolarHBondContact CA-O 3.22Å; Y154-K215 PolarHBondContact OH-NZ 2.74Å; Y154-F250 HydrophobicContact CE2-CE1 4.16Å; Y154-F250 AromaticContact CE2-CZ 3.87Å; Y154-F250 HydrophobicContact CE2-CZ 3.87Å
155	G	98.9	Very high	98.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161	-162.2	178.7	0	0	0	0	0	109.7	V107 E109 V182	V107-G155 CarbonylContact O-C 3.6Å; V107-G155 VanDerWaalsContact O-CA 3.3Å; V107-G155 WeakPolarHBondContact O-CA 3.34Å; E109-G155 WeakPolarHBondContact OE2-CA 3.28Å; G155-V182 PolarHBondContact N-O 3.44Å; G155-V182 WeakPolarHBondContact O-CA 3.4Å; G155-V182 WeakPolarHBondContact O-CB 3.37Å; G155-V182 PolarHBondContact O-N 2.81Å
156	A	98.9	Very high	98.1	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.008	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	165.1	-169.8	0	0	0	0	0	114.1	V107 P179 I180	V107-A156 PolarHBondContact N-O 3.11Å; V107-A156 PolarHBondContact O-N 3.44Å; V107-A156 VanDerWaalsContact O-N 3.13Å; A156-P179 HydrophobicContact CB-CB 3.96Å; A156-I180 VanDerWaalsContact CA-O 3.3Å; A156-I180 WeakPolarHBondContact CA-O 3.07Å; A156-I180 WeakPolarHBondContact CB-O 3.36Å
157	L	98.9	Very high	98	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.133	C	C	.	.			trans	-84.1	127.7	165.5	-58.1	-177.9	0	0	0	110.1	L81 Y104 N105 M106 T160 I180 V182 V198 I280	L81-L157 HydrophobicContact CD1-CB 3.75Å; L81-L157 HydrophobicContact CD1-CD1 3.96Å; L81-L157 HydrophobicContact CD1-CG 4.35Å; Y104-L157 HydrophobicContact CD1-CD1 4.42Å; N105-L157 VanDerWaalsContact O-CD2 3.31Å; N105-L157 WeakPolarHBondContact O-CD2 3.36Å; M106-L157 HydrophobicContact CB-CD2 4.33Å; L157-T160 HydrophobicContact CB-CG2 3.91Å; L157-T160 PolarHBondContact O-OG1 2.86Å; L157-I180 HydrophobicContact CB-CG2 3.88Å; L157-I180 HydrophobicContact CD1-CG2 3.86Å; L157-I180 HydrophobicContact CG-CG2 3.96Å; L157-I180 PolarHBondContact N-O 2.78Å; L157-V182 HydrophobicContact CD1-CG2 4.43Å; L157-V182 HydrophobicContact CD2-CG2 3.56Å; L157-V182 HydrophobicContact CG-CG2 3.5Å; L157-V182 VanDerWaalsContact CG-CG2 3.5Å; L157-V198 HydrophobicContact CD2-CG2 4.47Å; L157-I280 HydrophobicContact CD1-CB 4.48Å; L157-I280 HydrophobicContact CD1-CD1 3.75Å; L157-I280 HydrophobicContact CD1-CG1 3.84Å; L157-I280 HydrophobicContact CD1-CG2 3.78Å
158	P	98.8	Very high	97.9	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.006	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	158.5	176.6	36	-36.6	0	0	0	109.7	P75 I79 N105 V107 T160	P75-P158 WeakPolarHBondContact O-CB 3.43Å; I79-P158 HydrophobicContact CB-CB 3.89Å; I79-P158 HydrophobicContact CB-CG 3.96Å; I79-P158 HydrophobicContact CG2-CB 4.24Å; I79-P158 HydrophobicContact CG2-CG 3.74Å; I79-P158 WeakPolarHBondContact O-CB 2.88Å; I79-P158 WeakPolarHBondContact O-CG 3.49Å; N105-P158 HydrophobicContact CB-CG 4.29Å; N105-P158 WeakPolarHBondContact O-CD 3.39Å; V107-P158 HydrophobicContact CG2-CB 4.33Å; P158-T160 PolarHBondContact O-N 3.09Å
159	Q	98.7	Very high	97.7	Very high	33 Å²	33	31.7 Å²	31.7	15%	0.154	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	31.5	-178.3	-52.4	-179.1	-27	0	0	114.4	F76 H77 I79 L81 H284 W287	F76-Q159 PolarHBondContact O-N 2.88Å; H77-Q159 PolarHBondContact O-NE2 3.23Å; I79-Q159 WeakPolarHBondContact O-CG 3.33Å; L81-Q159 HydrophobicContact CB-CB 4.23Å; L81-Q159 VanDerWaalsContact N-OE1 3.09Å; Q159-H284 WeakPolarHBondContact O-CA 3.5Å; Q159-H284 PolarHBondContact O-ND1 3.08Å; Q159-W287 HydrophobicContact CB-CD2 3.69Å; Q159-W287 HydrophobicContact CB-CE3 3.71Å; Q159-W287 HydrophobicContact CB-CG 4.37Å; Q159-W287 HydrophobicContact CB-CH2 3.88Å; Q159-W287 HydrophobicContact CB-CZ2 3.84Å; Q159-W287 HydrophobicContact CB-CZ3 3.81Å; Q159-W287 HydrophobicContact CG-CD2 4.34Å; Q159-W287 HydrophobicContact CG-CE3 4.4Å; Q159-W287 HydrophobicContact CG-CH2 3.64Å; Q159-W287 HydrophobicContact CG-CZ2 3.52Å; Q159-W287 HydrophobicContact CG-CZ3 4.08Å; Q159-W287 WeakPolarHBondContact O-CB 3.44Å
160	T	98.8	Very high	97.5	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.17	C	C	.	.			trans	-126.7	151.1	172.7	65.1	0	0	0	0	109.9	F76 L81 L157 P158 P179 I180 T283	F76-T160 VanDerWaalsContact CE2-O 3.23Å; F76-T160 WeakPolarHBondContact CE2-O 3.34Å; L81-T160 HydrophobicContact CD1-CG2 3.78Å; L81-T160 HydrophobicContact CD2-CG2 4.11Å; L157-T160 HydrophobicContact CB-CG2 3.91Å; L157-T160 PolarHBondContact O-OG1 2.86Å; P158-T160 PolarHBondContact O-N 3.09Å; T160-P179 VanDerWaalsContact O-CA 3.3Å; T160-P179 WeakPolarHBondContact O-CA 3.37Å; T160-P179 WeakPolarHBondContact O-CB 3.18Å; T160-I180 HydrophobicContact CG2-CG2 3.9Å; T160-I180 WeakPolarHBondContact OG1-CG2 3.36Å; T160-I180 PolarHBondContact OG1-N 3.31Å; T160-T283 WeakPolarHBondContact CB-OG1 3.47Å
161	W	98.6	Very high	97.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.175	C	C	.	.			trans	-150.7	130.4	179	-178.6	46.9	0	0	0	111.8	D163 P164 N177 T283 H286 W287 L290 I300	W161-D163 HydrophobicContact CD2-CB 4.3Å; W161-D163 HydrophobicContact CE3-CB 3.81Å; W161-D163 HydrophobicContact CH2-CB 4.06Å; W161-D163 HydrophobicContact CZ3-CB 3.66Å; W161-D163 VanDerWaalsContact CZ3-CG 3.46Å; W161-D163 PolarHBondContact O-N 2.93Å; W161-P164 HydrophobicContact CZ2-CG 4.28Å; W161-N177 WeakPolarHBondContact CZ2-OD1 3.48Å; W161-N177 PolarHBondContact NE1-O 3.35Å; W161-T283 PolarHBondContact N-O 2.59Å; W161-T283 WeakPolarHBondContact O-CA 3.43Å; W161-T283 WeakPolarHBondContact O-CB 3.45Å; W161-H286 HydrophobicContact CE3-CB 4.03Å; W161-H286 WeakPolarHBondContact O-CB 3.36Å; W161-W287 HydrophobicContact CB-CB 3.9Å; W161-L290 HydrophobicContact CD2-CB 4.47Å; W161-L290 HydrophobicContact CD2-CD2 3.82Å; W161-L290 HydrophobicContact CE3-CB 3.76Å; W161-L290 HydrophobicContact CE3-CD2 3.97Å; W161-L290 HydrophobicContact CE3-CG 4.32Å; W161-L290 HydrophobicContact CG-CD2 4.1Å; W161-L290 HydrophobicContact CH2-CD1 4.22Å; W161-L290 HydrophobicContact CZ3-CB 3.89Å; W161-L290 HydrophobicContact CZ3-CD1 4.28Å; W161-L290 HydrophobicContact CZ3-CD2 4.47Å; W161-L290 HydrophobicContact CZ3-CG 4.44Å; W161-I300 HydrophobicContact CD2-CD1 4.36Å; W161-I300 HydrophobicContact CG-CD1 4.43Å; W161-I300 HydrophobicContact CZ2-CD1 3.96Å
162	E	98.2	Very high	97	Very high	9 Å²	9	41 Å²	41	4%	0.042	20%	0.198	C	C	.	.			trans	-84	82.3	172.2	-63	-116.8	-161.2	0	0	108.9	P164 G175 D176 N177 D178 W214 T283	E162-P164 WeakPolarHBondContact O-CD 3.41Å; E162-G175 CarbonylContact O-C 3.59Å; E162-D176 WeakPolarHBondContact CB-OD1 3.47Å; E162-N177 VanDerWaalsContact O-CA 3.25Å; E162-N177 WeakPolarHBondContact O-CA 3.38Å; E162-N177 PolarHBondContact O-N 3.33Å; E162-D178 PolarHBondContact N-O 2.69Å; E162-W214 WeakPolarHBondContact OE1-CB 3.13Å; E162-W214 VanDerWaalsContact OE1-CD1 3.3Å; E162-W214 PolarHBondContact OE1-N 3.13Å; E162-W214 VanDerWaalsContact OE2-CD1 3.27Å; E162-T283 HydrophobicContact CG-CG2 4.29Å
163	D	97.1	Very high	96.9	Very high	14 Å²	14	41 Å²	41	8%	0.075	20%	0.201	C	C	.	.			trans	-55.6	118.5	-176.2	-175.4	-15.8	0	0	0	111.7	W161 N165 H166 G175 H286	W161-D163 HydrophobicContact CD2-CB 4.3Å; W161-D163 HydrophobicContact CE3-CB 3.81Å; W161-D163 HydrophobicContact CH2-CB 4.06Å; W161-D163 HydrophobicContact CZ3-CB 3.66Å; W161-D163 VanDerWaalsContact CZ3-CG 3.46Å; W161-D163 PolarHBondContact O-N 2.93Å; D163-N165 PolarHBondContact O-N 3.35Å; D163-N165 VanDerWaalsContact O-N 3.08Å; D163-N165 WeakPolarHBondContact OD1-CA 3.46Å; D163-N165 VanDerWaalsContact OD1-CB 3.3Å; D163-N165 WeakPolarHBondContact OD1-CB 3.3Å; D163-N165 PolarHBondContact OD1-N 2.75Å; D163-N165 PolarHBondContact OD1-ND2 2.92Å; D163-H166 HydrophobicContact CB-CB 3.96Å; D163-H166 WeakPolarHBondContact O-CB 3.47Å; D163-H166 PolarHBondContact O-N 2.97Å; D163-G175 PolarHBondContact O-N 2.97Å; D163-H286 HydrophobicContact CB-CB 4.03Å
164	P	96.7	Very high	96.9	Very high	41 Å²	41	43.1 Å²	43.1	27%	0.266	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-2.2	-178.7	32.9	-38.7	0	0	0	113.6	W161 E162 C174 G175 N177	W161-P164 HydrophobicContact CZ2-CG 4.28Å; E162-P164 WeakPolarHBondContact O-CD 3.41Å; P164-C174 WeakPolarHBondContact O-CB 3.37Å; P164-G175 VanDerWaalsContact CA-O 3.28Å; P164-G175 WeakPolarHBondContact CA-O 3.24Å; P164-G175 WeakPolarHBondContact CB-O 3.3Å; P164-N177 HydrophobicContact CB-CB 4.11Å; P164-N177 HydrophobicContact CG-CB 3.86Å; P164-N177 WeakPolarHBondContact CG-OD1 3.11Å
165	N	94.8	Very high	96.8	Very high	106 Å²	106	42.4 Å²	42.4	57%	0.567	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-12.3	171.1	-46.5	-90.1	0	0	0	111.8	D163	D163-N165 PolarHBondContact O-N 3.35Å; D163-N165 VanDerWaalsContact O-N 3.08Å; D163-N165 WeakPolarHBondContact OD1-CA 3.46Å; D163-N165 VanDerWaalsContact OD1-CB 3.3Å; D163-N165 WeakPolarHBondContact OD1-CB 3.3Å; D163-N165 PolarHBondContact OD1-N 2.75Å; D163-N165 PolarHBondContact OD1-ND2 2.92Å
166	H	94.8	Very high	96.7	Very high	73 Å²	73	43.8 Å²	43.8	34%	0.338	22%	0.222	S	C	.	.	S	Bend	trans	-86.2	133.1	173.8	-171.9	100.9	0	0	0	109.9	D163 C174 G175 H286	D163-H166 HydrophobicContact CB-CB 3.96Å; D163-H166 WeakPolarHBondContact O-CB 3.47Å; D163-H166 PolarHBondContact O-N 2.97Å; H166-C174 VanDerWaalsContact O-CA 3.24Å; H166-C174 WeakPolarHBondContact O-CA 3.27Å; H166-G175 PolarHBondContact O-N 2.94Å; H166-H286 AromaticContact CD2-CE1 3.9Å; H166-H286 AromaticContact CE1-CE1 3.8Å; H166-H286 AromaticContact CE1-NE2 3.62Å; H166-H286 AromaticContact CG-CE1 3.43Å; H166-H286 VanDerWaalsContact CG-CE1 3.43Å; H166-H286 AromaticContact CG-NE2 3.67Å; H166-H286 AromaticContact ND1-CE1 3.37Å; H166-H286 PolarHBondContact ND1-CE1 3.24Å; H166-H286 AromaticContact ND1-NE2 3.12Å; H166-H286 PolarHBondContact ND1-NE2 3.02Å; H166-H286 VanDerWaalsContact ND1-NE2 3.12Å
167	K	96	Very high	96.6	Very high	106 Å²	106	44.5 Å²	44.5	46%	0.461	23%	0.225	S	C	.	.	B	Isolated β-bridge	trans	-103.6	118.8	178.9	-151	179.1	-156.2	-147.5	0	109.8	D172 C173	K167-D172 WeakPolarHBondContact CD-OD1 3.3Å; K167-D172 WeakPolarHBondContact CE-O 2.99Å; K167-D172 VanDerWaalsContact CE-OD1 3.24Å; K167-D172 WeakPolarHBondContact CE-OD1 3.31Å; K167-D172 IonicContact NZ-OD1 3.24Å; K167-D172 PolarHBondContact NZ-OD1 2.91Å; K167-D172 IonicContact NZ-OD2 2.74Å; K167-D172 PolarHBondContact NZ-OD2 2.88Å; K167-C173 WeakPolarHBondContact CA-O 3.45Å
168	D	96.4	Very high	96.6	Very high	23 Å²	23	47 Å²	47	12%	0.123	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-64.6	145.9	176.3	171.8	-109.4	0	0	0	111.4	E170 T171 D172 C173 M212	D168-E170 PolarHBondContact OD1-N 3.42Å; D168-T171 WeakPolarHBondContact CB-OG1 3.36Å; D168-T171 PolarHBondContact OD1-N 2.82Å; D168-T171 PolarHBondContact OD1-OG1 3.06Å; D168-D172 WeakPolarHBondContact O-CA 3.34Å; D168-D172 PolarHBondContact O-N 2.84Å; D168-C173 PolarHBondContact N-O 3.4Å; D168-M212 HydrophobicContact CB-CB 4.3Å; D168-M212 HydrophobicContact CB-CG 3.87Å; D168-M212 HydrophobicContact CB-SD 4.17Å
169	K	93.8	Very high	96.6	Very high	200 Å²	200	47.2 Å²	47.2	87%	0.87	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-21.8	-171.4	-65.2	175.7	-175.2	165.6	0	113.9
170	E	93.3	Very high	96.6	Very high	90 Å²	90	45.7 Å²	45.7	42%	0.421	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-47.6	178.6	170.3	66	-170.9	0	0	110.6	D168 F266	D168-E170 PolarHBondContact OD1-N 3.42Å; E170-F266 HydrophobicContact CB-CE1 4.01Å; E170-F266 HydrophobicContact CB-CE2 4.26Å; E170-F266 HydrophobicContact CB-CZ 3.76Å; E170-F266 HydrophobicContact CG-CD1 3.79Å; E170-F266 HydrophobicContact CG-CD2 4.07Å; E170-F266 HydrophobicContact CG-CE1 3.57Å; E170-F266 HydrophobicContact CG-CE2 3.88Å; E170-F266 HydrophobicContact CG-CG 4.04Å; E170-F266 HydrophobicContact CG-CZ 3.62Å; E170-F266 WeakPolarHBondContact OE1-CA 3.33Å; E170-F266 VanDerWaalsContact OE1-CD1 3.27Å; E170-F266 WeakPolarHBondContact OE1-CD1 3.28Å; E170-F266 PolarHBondContact OE1-N 3.26Å; E170-F266 WeakPolarHBondContact OE2-CD1 3.37Å; E170-F266 WeakPolarHBondContact OE2-CE1 3.31Å
171	T	93.3	Very high	96.6	Very high	20 Å²	20	46.6 Å²	46.6	12%	0.123	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-15.2	-170.3	60.7	0	0	0	0	114.2	D168 C173 I207 M212	D168-T171 WeakPolarHBondContact CB-OG1 3.36Å; D168-T171 PolarHBondContact OD1-N 2.82Å; D168-T171 PolarHBondContact OD1-OG1 3.06Å; T171-C173 PolarHBondContact O-N 3.08Å; T171-C173 VanDerWaalsContact O-N 3.1Å; T171-C173 PolarHBondContact O-SG 3.21Å; T171-C173 PolarHBondContact OG1-N 3.06Å; T171-I207 HydrophobicContact CG2-CD1 3.86Å; T171-I207 HydrophobicContact CG2-CG1 3.82Å; T171-M212 HydrophobicContact CG2-SD 3.58Å; T171-M212 VanDerWaalsContact CG2-SD 3.58Å; T171-M212 PolarHBondContact OG1-SD 3.47Å; T171-M212 VanDerWaalsContact OG1-SD 3.35Å
172	D	94.9	Very high	96.6	Very high	106 Å²	106	46.6 Å²	46.6	57%	0.567	24%	0.238	S	C	*	.			trans	55.2	20.9	-170.6	-157.7	53	0	0	0	113	K167 D168	K167-D172 WeakPolarHBondContact CD-OD1 3.3Å; K167-D172 WeakPolarHBondContact CE-O 2.99Å; K167-D172 VanDerWaalsContact CE-OD1 3.24Å; K167-D172 WeakPolarHBondContact CE-OD1 3.31Å; K167-D172 IonicContact NZ-OD1 3.24Å; K167-D172 PolarHBondContact NZ-OD1 2.91Å; K167-D172 IonicContact NZ-OD2 2.74Å; K167-D172 PolarHBondContact NZ-OD2 2.88Å; D168-D172 WeakPolarHBondContact O-CA 3.34Å; D168-D172 PolarHBondContact O-N 2.84Å
173	C	96.9	Very high	96.7	Very high	18 Å²	18	46.1 Å²	46.1	12%	0.122	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-98.4	158.2	176.7	-62.3	0	0	0	0	110.5	K167 D168 T171 M212	K167-C173 WeakPolarHBondContact CA-O 3.45Å; D168-C173 PolarHBondContact N-O 3.4Å; T171-C173 PolarHBondContact O-N 3.08Å; T171-C173 VanDerWaalsContact O-N 3.1Å; T171-C173 PolarHBondContact O-SG 3.21Å; T171-C173 PolarHBondContact OG1-N 3.06Å; C173-M212 HydrophobicContact CB-CB 4.05Å
174	C	97.6	Very high	96.8	Very high	45 Å²	45	45.5 Å²	45.5	30%	0.304	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	154.1	173	-69.1	0	0	0	0	110.9	P164 H166 E211 M212	P164-C174 WeakPolarHBondContact O-CB 3.37Å; H166-C174 VanDerWaalsContact O-CA 3.24Å; H166-C174 WeakPolarHBondContact O-CA 3.27Å; C174-E211 CarbonylContact O-C 3.51Å; C174-E211 WeakPolarHBondContact O-CA 3.31Å; C174-M212 PolarHBondContact O-N 2.95Å
175	G	97.3	Very high	96.9	Very high	5 Å²	5	43.8 Å²	43.8	5%	0.052	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	152.6	-179.9	0	0	0	0	0	113.7	E162 D163 P164 H166 N177	E162-G175 CarbonylContact O-C 3.59Å; D163-G175 PolarHBondContact O-N 2.97Å; P164-G175 VanDerWaalsContact CA-O 3.28Å; P164-G175 WeakPolarHBondContact CA-O 3.24Å; P164-G175 WeakPolarHBondContact CB-O 3.3Å; H166-G175 PolarHBondContact O-N 2.94Å; G175-N177 PolarHBondContact O-N 2.99Å
176	D	97.3	Very high	97	Very high	29 Å²	29	38.8 Å²	38.8	16%	0.155	19%	0.194	C	C	.	.			trans	-75.1	1.9	-177.5	72.2	-1.3	0	0	0	115.3	E162 D178 E211 M212	E162-D176 WeakPolarHBondContact CB-OD1 3.47Å; D176-D178 VanDerWaalsContact C-N 3.29Å; D176-D178 PolarHBondContact O-N 3.03Å; D176-D178 PolarHBondContact OD1-N 2.66Å; D176-E211 HydrophobicContact CB-CB 4.09Å; D176-M212 PolarHBondContact N-O 3.02Å
177	N	97.7	Very high	97.2	Very high	15 Å²	15	39.3 Å²	39.3	8%	0.08	20%	0.203	C	C	.	.	S	Bend	trans	70.7	7.9	-177.6	-175	88	0	0	0	115.7	W161 E162 P164 G175	W161-N177 WeakPolarHBondContact CZ2-OD1 3.48Å; W161-N177 PolarHBondContact NE1-O 3.35Å; E162-N177 VanDerWaalsContact O-CA 3.25Å; E162-N177 WeakPolarHBondContact O-CA 3.38Å; E162-N177 PolarHBondContact O-N 3.33Å; P164-N177 HydrophobicContact CB-CB 4.11Å; P164-N177 HydrophobicContact CG-CB 3.86Å; P164-N177 WeakPolarHBondContact CG-OD1 3.11Å; G175-N177 PolarHBondContact O-N 2.99Å
178	D	98.3	Very high	97.3	Very high	52 Å²	52	39.5 Å²	39.5	28%	0.278	21%	0.205	S	C	.	.	S	Bend	trans	-108.4	177.6	177.9	-79.8	-27	0	0	0	111.9	T122 E162 D176	T122-D178 WeakPolarHBondContact CG2-OD1 3.24Å; T122-D178 PolarHBondContact OG1-OD1 3Å; T122-D178 VanDerWaalsContact OG1-OD1 3.13Å; E162-D178 PolarHBondContact N-O 2.69Å; D176-D178 VanDerWaalsContact C-N 3.29Å; D176-D178 PolarHBondContact O-N 3.03Å; D176-D178 PolarHBondContact OD1-N 2.66Å
179	P	98.8	Very high	97.4	Very high	7 Å²	7	41.5 Å²	41.5	5%	0.045	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-77.9	150.7	175.3	-7	25.2	0	0	0	111.2	F76 T122 A156 T160 D181	F76-P179 HydrophobicContact CD2-CB 4.31Å; F76-P179 HydrophobicContact CD2-CG 3.82Å; F76-P179 HydrophobicContact CE1-CG 4.43Å; F76-P179 HydrophobicContact CE2-CB 4.08Å; F76-P179 HydrophobicContact CE2-CG 3.71Å; F76-P179 HydrophobicContact CG-CG 4.3Å; F76-P179 HydrophobicContact CZ-CG 4.02Å; T122-P179 HydrophobicContact CG2-CG 4.33Å; A156-P179 HydrophobicContact CB-CB 3.96Å; T160-P179 VanDerWaalsContact O-CA 3.3Å; T160-P179 WeakPolarHBondContact O-CA 3.37Å; T160-P179 WeakPolarHBondContact O-CB 3.18Å; P179-D181 PolarHBondContact O-N 3.15Å
180	I	98.9	Very high	97.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-62.5	130.4	-171.5	-158.1	177.5	0	0	0	112.3	A156 L157 T160 I203 W214 V216 I279 I280 T283	A156-I180 VanDerWaalsContact CA-O 3.3Å; A156-I180 WeakPolarHBondContact CA-O 3.07Å; A156-I180 WeakPolarHBondContact CB-O 3.36Å; L157-I180 HydrophobicContact CB-CG2 3.88Å; L157-I180 HydrophobicContact CD1-CG2 3.86Å; L157-I180 HydrophobicContact CG-CG2 3.96Å; L157-I180 PolarHBondContact N-O 2.78Å; T160-I180 HydrophobicContact CG2-CG2 3.9Å; T160-I180 WeakPolarHBondContact OG1-CG2 3.36Å; T160-I180 PolarHBondContact OG1-N 3.31Å; I180-I203 HydrophobicContact CD1-CD1 4.17Å; I180-W214 HydrophobicContact CD1-CB 3.87Å; I180-W214 HydrophobicContact CG1-CB 3.89Å; I180-V216 HydrophobicContact CD1-CG2 3.85Å; I180-V216 HydrophobicContact CG1-CG2 4.14Å; I180-I279 HydrophobicContact CD1-CG2 3.72Å; I180-I280 HydrophobicContact CD1-CG1 4.13Å; I180-I280 HydrophobicContact CG2-CG1 4.48Å; I180-T283 HydrophobicContact CD1-CG2 4.19Å
181	D	98.9	Very high	97.8	Very high	19 Å²	19	31.3 Å²	31.3	10%	0.102	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	148.7	-171.8	-94.9	-48.8	0	0	0	113.7	Y154 P179 W214 K215 V216	Y154-D181 WeakPolarHBondContact CE1-OD1 3.41Å; Y154-D181 VanDerWaalsContact CZ-CG 3.47Å; Y154-D181 PolarHBondContact OH-OD1 2.9Å; Y154-D181 PolarHBondContact OH-OD2 2.98Å; P179-D181 PolarHBondContact O-N 3.15Å; D181-W214 PolarHBondContact N-O 2.7Å; D181-K215 HydrophobicContact CB-CD 3.65Å; D181-K215 IonicContact OD2-NZ 2.66Å; D181-K215 PolarHBondContact OD2-NZ 2.8Å; D181-V216 VanDerWaalsContact O-CB 3.28Å; D181-V216 WeakPolarHBondContact O-CB 3.25Å; D181-V216 WeakPolarHBondContact O-CG2 3.43Å; D181-V216 PolarHBondContact O-N 2.9Å
182	V	98.9	Very high	98.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	128.4	-175	-170.4	0	0	0	0	111.5	M106 Y154 G155 L157 V216 A218	M106-V182 HydrophobicContact CE-CB 3.92Å; M106-V182 HydrophobicContact CE-CG1 4.07Å; M106-V182 WeakPolarHBondContact CE-O 3.4Å; M106-V182 HydrophobicContact CG-CB 4.12Å; M106-V182 HydrophobicContact CG-CG1 4.18Å; M106-V182 HydrophobicContact CG-CG2 4.4Å; M106-V182 HydrophobicContact SD-CB 3.91Å; M106-V182 HydrophobicContact SD-CG1 3.56Å; M106-V182 VanDerWaalsContact SD-CG1 3.56Å; Y154-V182 WeakPolarHBondContact CA-O 3.22Å; G155-V182 PolarHBondContact N-O 3.44Å; G155-V182 WeakPolarHBondContact O-CA 3.4Å; G155-V182 WeakPolarHBondContact O-CB 3.37Å; G155-V182 PolarHBondContact O-N 2.81Å; L157-V182 HydrophobicContact CD1-CG2 4.43Å; L157-V182 HydrophobicContact CD2-CG2 3.56Å; L157-V182 HydrophobicContact CG-CG2 3.5Å; L157-V182 VanDerWaalsContact CG-CG2 3.5Å; V182-V216 WeakPolarHBondContact CA-O 3.42Å; V182-V216 HydrophobicContact CG2-CB 4.27Å; V182-A218 HydrophobicContact CG1-CB 3.79Å
183	C	98.9	Very high	98.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	100.3	167.2	-61.3	0	0	0	0	108.8	W152 I185 V216 I217 A218	W152-C183 HydrophobicContact CB-CB 3.98Å; W152-C183 VanDerWaalsContact CD1-CB 3.41Å; W152-C183 HydrophobicContact CG-CB 3.67Å; C183-I185 PolarHBondContact O-N 2.9Å; C183-V216 PolarHBondContact N-O 2.84Å; C183-I217 HydrophobicContact CB-CD1 3.8Å; C183-A218 PolarHBondContact O-N 3.38Å
184	D	98.9	Very high	98.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	118	168.5	162.5	53.7	0	0	0	110.2	M106 N153 G186 I196 A218 N220	M106-D184 HydrophobicContact CE-CB 4.18Å; M106-D184 HydrophobicContact SD-CB 3.75Å; N153-D184 HydrophobicContact CB-CB 4.06Å; N153-D184 PolarHBondContact N-O 3.48Å; N153-D184 VanDerWaalsContact N-O 3.09Å; N153-D184 PolarHBondContact ND2-OD2 2.85Å; N153-D184 PolarHBondContact O-N 2.58Å; D184-G186 VanDerWaalsContact C-N 3.35Å; D184-G186 PolarHBondContact OD1-N 2.79Å; D184-I196 HydrophobicContact CB-CD1 4.19Å; D184-A218 WeakPolarHBondContact CA-O 3.28Å; D184-N220 PolarHBondContact OD1-N 3.1Å
185	I	98.8	Very high	98.3	Very high	6 Å²	6	29.1 Å²	29.1	3%	0.031	17%	0.168	C	C	.	.			trans	-91.3	7.1	-178.6	73	170.4	0	0	0	113	W152 C183 L201 I217 A218 I219 L229 V235 R239 H242	W152-I185 HydrophobicContact CD2-CG2 4.36Å; W152-I185 HydrophobicContact CE3-CG2 4.05Å; C183-I185 PolarHBondContact O-N 2.9Å; I185-L201 HydrophobicContact CD1-CD1 3.81Å; I185-L201 HydrophobicContact CG1-CD1 4.4Å; I185-I217 HydrophobicContact CG2-CG2 4.07Å; I185-A218 WeakPolarHBondContact CG1-O 3.38Å; I185-A218 PolarHBondContact N-O 2.59Å; I185-I219 HydrophobicContact CG1-CB 4.07Å; I185-I219 HydrophobicContact CG1-CD1 4.36Å; I185-I219 HydrophobicContact CG1-CG1 4.37Å; I185-L229 HydrophobicContact CD1-CD1 3.99Å; I185-V235 HydrophobicContact CD1-CB 4.49Å; I185-V235 HydrophobicContact CD1-CG1 3.85Å; I185-V235 HydrophobicContact CD1-CG2 3.79Å; I185-R239 PolarHBondContact O-NH1 3.02Å; I185-H242 WeakPolarHBondContact CB-NE2 3.44Å; I185-H242 WeakPolarHBondContact CG2-NE2 3.5Å
186	G	98.3	Very high	98.3	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.01	17%	0.167	C	C	.	.			trans	-56.4	152.7	178.3	0	0	0	0	0	114.2	R112 D184	R112-G186 PolarHBondContact NH1-O 3.28Å; D184-G186 VanDerWaalsContact C-N 3.35Å; D184-G186 PolarHBondContact OD1-N 2.79Å
187	T	97.8	Very high	98.3	Very high	84 Å²	84	31.7 Å²	31.7	52%	0.515	18%	0.178	S	C	.	.	S	Bend	trans	-67.1	-34	179.8	59.9	0	0	0	0	112.7	R112 D223	R112-T187 PolarHBondContact NH2-O 2.88Å; T187-D223 WeakPolarHBondContact CB-OD2 3.36Å; T187-D223 WeakPolarHBondContact CG2-OD2 3.46Å; T187-D223 PolarHBondContact N-OD2 3.28Å; T187-D223 PolarHBondContact OG1-OD2 2.8Å
188	Q	98.1	Very high	98.4	Very high	110 Å²	110	31 Å²	31	51%	0.514	17%	0.174	S	C	.	.	S	Bend	trans	-66.8	140.6	176.1	-169.7	171.9	33.9	0	0	111.2	R112 N153	R112-Q188 PolarHBondContact NH1-O 2.78Å; N153-Q188 PolarHBondContact ND2-O 2.86Å
189	V	98.7	Very high	98.3	Very high	65 Å²	65	28.9 Å²	28.9	39%	0.394	16%	0.162	S	C	.	.	P	Polyproline II helix	trans	-88.2	117.1	165.1	-178.1	0	0	0	0	107.4	P111 R112 W113	P111-V189 HydrophobicContact CB-CG1 4.18Å; R112-V189 HydrophobicContact CB-CG1 4.4Å; R112-V189 HydrophobicContact CB-CG2 4.41Å; W113-V189 HydrophobicContact CE3-CG2 4.07Å; W113-V189 HydrophobicContact CZ3-CG2 3.91Å
190	C	98.3	Very high	98.3	Very high	4 Å²	4	28.7 Å²	28.7	3%	0.027	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-82.4	165.5	-177.4	-69.3	0	0	0	0	111.9	V108 P111 N153	V108-C190 HydrophobicContact CB-CB 4.38Å; V108-C190 HydrophobicContact CG1-CB 3.88Å; V108-C190 HydrophobicContact CG2-CB 3.95Å; P111-C190 WeakPolarHBondContact CB-O 3.4Å; N153-C190 HydrophobicContact CB-CB 4.34Å; N153-C190 PolarHBondContact OD1-N 2.76Å
191	S	98	Very high	98.3	Very high	72 Å²	72	28.7 Å²	28.7	50%	0.503	16%	0.161	S	C	.	.	P	Polyproline II helix	trans	-95.4	151.4	176.2	-63.3	0	0	0	0	112.3	G193 Q194	S191-G193 PolarHBondContact O-N 2.91Å; S191-Q194 WeakPolarHBondContact O-CB 3.42Å; S191-Q194 PolarHBondContact O-N 2.93Å; S191-Q194 VanDerWaalsContact O-N 3.08Å
192	P	97.9	Very high	98.3	Very high	46 Å²	46	27.8 Å²	27.8	30%	0.299	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	134.6	171.8	-17.5	30.1	0	0	0	111.1	I63 P111 Q194	I63-P192 HydrophobicContact CD1-CB 3.64Å; P111-P192 VanDerWaalsContact CG-CD 3.49Å; P111-P192 HydrophobicContact CG-CG 3.54Å; P192-Q194 VanDerWaalsContact C-N 3.26Å; P192-Q194 PolarHBondContact O-N 2.85Å
193	G	98	Very high	98.3	Very high	4 Å²	4	27.8 Å²	27.8	4%	0.041	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	9	-174.1	0	0	0	0	0	115.2	T50 F65 V108 S191	T50-G193 WeakPolarHBondContact CG2-O 3.44Å; F65-G193 WeakPolarHBondContact CE1-O 3.37Å; V108-G193 WeakPolarHBondContact O-CA 3.17Å; V108-G193 PolarHBondContact O-N 2.61Å; S191-G193 PolarHBondContact O-N 2.91Å
194	Q	98	Very high	98.3	Very high	62 Å²	62	27.8 Å²	27.8	29%	0.29	16%	0.156	S	C	.	.			trans	-72.4	132.2	170.6	-171.1	179.6	-17.8	0	0	109.7	V108 S191 P192 I196	V108-Q194 HydrophobicContact CB-CB 4.4Å; V108-Q194 WeakPolarHBondContact CB-O 3.39Å; V108-Q194 WeakPolarHBondContact CG2-O 3.48Å; V108-Q194 PolarHBondContact N-O 2.76Å; S191-Q194 WeakPolarHBondContact O-CB 3.42Å; S191-Q194 PolarHBondContact O-N 2.93Å; S191-Q194 VanDerWaalsContact O-N 3.08Å; P192-Q194 VanDerWaalsContact C-N 3.26Å; P192-Q194 PolarHBondContact O-N 2.85Å; Q194-I196 HydrophobicContact CG-CG2 3.78Å; Q194-I196 VanDerWaalsContact NE2-CG2 3.32Å
195	V	98.2	Very high	98.3	Very high	31 Å²	31	27.8 Å²	27.8	19%	0.188	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	119.4	170.1	-171.6	0	0	0	0	107.9	Y48 F65 I79 N105 M106	Y48-V195 HydrophobicContact CD2-CB 3.65Å; Y48-V195 HydrophobicContact CD2-CG1 3.74Å; Y48-V195 HydrophobicContact CD2-CG2 3.68Å; Y48-V195 HydrophobicContact CE2-CB 4.35Å; Y48-V195 HydrophobicContact CE2-CG1 3.93Å; Y48-V195 HydrophobicContact CE2-CG2 4.49Å; Y48-V195 HydrophobicContact CG-CB 4.34Å; Y48-V195 HydrophobicContact CG-CG2 3.89Å; F65-V195 HydrophobicContact CD1-CG2 4.23Å; F65-V195 HydrophobicContact CE1-CG2 3.88Å; I79-V195 HydrophobicContact CD1-CG2 3.71Å; I79-V195 HydrophobicContact CG2-CG1 4.11Å; N105-V195 HydrophobicContact CB-CG1 4.04Å; M106-V195 WeakPolarHBondContact O-CA 3.12Å
196	I	97.7	Very high	98.3	Very high	8 Å²	8	27.5 Å²	27.5	4%	0.041	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	154.2	179.3	61.3	171.7	0	0	0	110.8	N105 M106 V108 D184 Q194 V198 N220	N105-I196 CarbonylContact C-O 3.58Å; N105-I196 WeakPolarHBondContact CA-O 3.27Å; M106-I196 HydrophobicContact CB-CG1 4.01Å; M106-I196 HydrophobicContact CG-CG1 4.43Å; M106-I196 PolarHBondContact N-O 2.55Å; M106-I196 PolarHBondContact O-N 2.68Å; M106-I196 HydrophobicContact SD-CD1 3.97Å; M106-I196 HydrophobicContact SD-CG1 4.25Å; V108-I196 HydrophobicContact CG2-CD1 3.9Å; V108-I196 HydrophobicContact CG2-CG1 3.95Å; V108-I196 HydrophobicContact CG2-CG2 4.46Å; D184-I196 HydrophobicContact CB-CD1 4.19Å; Q194-I196 HydrophobicContact CG-CG2 3.78Å; Q194-I196 VanDerWaalsContact NE2-CG2 3.32Å; I196-V198 HydrophobicContact CD1-CG1 3.77Å; I196-V198 HydrophobicContact CG1-CG1 3.87Å; I196-N220 HydrophobicContact CD1-CB 4.28Å
197	Q	97.9	Very high	98.3	Very high	79 Å²	79	28.8 Å²	28.8	37%	0.369	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	127.4	173.2	-64.9	171.3	-10.7	0	0	108.3	A83 L103 Y104 N220 A221	A83-Q197 HydrophobicContact CB-CG 3.91Å; L103-Q197 HydrophobicContact CD1-CB 4.34Å; Y104-Q197 CarbonylContact O-C 3.51Å; Y104-Q197 WeakPolarHBondContact O-CA 3.4Å; Q197-N220 CarbonylContact O-C 3.5Å; Q197-N220 WeakPolarHBondContact O-CA 3.22Å; Q197-A221 HydrophobicContact CB-CB 4.25Å; Q197-A221 WeakPolarHBondContact O-CB 3.02Å; Q197-A221 PolarHBondContact O-N 2.64Å
198	V	98.4	Very high	98.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	146.8	-176.5	-62.1	0	0	0	0	112.1	L103 Y104 M106 L157 I196 A218 I219	L103-V198 WeakPolarHBondContact CA-O 3.41Å; Y104-V198 PolarHBondContact N-O 2.82Å; Y104-V198 PolarHBondContact O-N 2.71Å; M106-V198 HydrophobicContact CB-CG1 4Å; M106-V198 HydrophobicContact CB-CG2 3.99Å; M106-V198 HydrophobicContact SD-CG1 4.1Å; L157-V198 HydrophobicContact CD2-CG2 4.47Å; I196-V198 HydrophobicContact CD1-CG1 3.77Å; I196-V198 HydrophobicContact CG1-CG1 3.87Å; V198-A218 HydrophobicContact CB-CB 3.91Å; V198-A218 HydrophobicContact CG2-CB 3.96Å; V198-I219 CarbonylContact C-O 3.54Å; V198-I219 VanDerWaalsContact CA-O 3.31Å; V198-I219 WeakPolarHBondContact CA-O 2.95Å
199	K	97.9	Very high	97.9	Very high	8 Å²	8	25.2 Å²	25.2	4%	0.035	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	125.1	164	169.6	172.3	47.2	169.5	0	108.9	K101 L103 L201 A218 I219 A226 L229 N230	K101-K199 HydrophobicContact CG-CD 4.41Å; L103-K199 HydrophobicContact CD2-CB 4.12Å; K199-L201 HydrophobicContact CD-CD2 4.39Å; K199-L201 HydrophobicContact CG-CD2 4.2Å; K199-A218 CarbonylContact O-C 3.55Å; K199-A218 VanDerWaalsContact O-CA 3.23Å; K199-A218 WeakPolarHBondContact O-CA 3.4Å; K199-A218 WeakPolarHBondContact O-CB 3.25Å; K199-I219 HydrophobicContact CB-CG2 4.39Å; K199-I219 PolarHBondContact N-O 2.98Å; K199-I219 PolarHBondContact O-N 2.86Å; K199-A226 WeakPolarHBondContact CE-O 3.38Å; K199-A226 PolarHBondContact NZ-O 2.84Å; K199-L229 WeakPolarHBondContact CE-O 3.37Å; K199-L229 PolarHBondContact NZ-O 3.43Å; K199-N230 PolarHBondContact NZ-OD1 3.28Å
200	V	98.6	Very high	97.8	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.018	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	138.4	171.3	175.3	0	0	0	0	110.3	Y104 V216 K273 A276 I280	Y104-V200 HydrophobicContact CD2-CG2 3.6Å; Y104-V200 HydrophobicContact CE2-CB 4.44Å; Y104-V200 HydrophobicContact CE2-CG2 3.72Å; Y104-V200 HydrophobicContact CG-CG2 4.45Å; V200-V216 HydrophobicContact CB-CG1 4.49Å; V200-V216 HydrophobicContact CG1-CG1 3.99Å; V200-V216 HydrophobicContact CG2-CG1 3.93Å; V200-K273 WeakPolarHBondContact O-CD 3.45Å; V200-A276 HydrophobicContact CG1-CB 3.59Å; V200-I280 HydrophobicContact CG1-CD1 4.31Å; V200-I280 HydrophobicContact CG2-CD1 3.73Å
201	L	98.7	Very high	97.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	-31.5	-178.2	-56.2	177.8	0	0	0	112.5	I185 K199 I217 I219 L229 C231 I232 V235 K273	I185-L201 HydrophobicContact CD1-CD1 3.81Å; I185-L201 HydrophobicContact CG1-CD1 4.4Å; K199-L201 HydrophobicContact CD-CD2 4.39Å; K199-L201 HydrophobicContact CG-CD2 4.2Å; L201-I217 WeakPolarHBondContact CB-O 3.39Å; L201-I217 PolarHBondContact N-O 3.35Å; L201-I219 HydrophobicContact CD1-CB 4.11Å; L201-I219 HydrophobicContact CD1-CG2 3.91Å; L201-I219 HydrophobicContact CD2-CG2 4.14Å; L201-I219 HydrophobicContact CG-CG2 4.24Å; L201-L229 HydrophobicContact CD1-CB 4.13Å; L201-L229 HydrophobicContact CD2-CB 4.21Å; L201-L229 WeakPolarHBondContact CD2-O 3.44Å; L201-C231 CarbonylContact O-C 3.55Å; L201-I232 PolarHBondContact O-N 3.25Å; L201-V235 HydrophobicContact CB-CG2 4.45Å; L201-V235 HydrophobicContact CD1-CG2 3.63Å; L201-K273 PolarHBondContact O-N 2.93Å
202	G	98.8	Very high	97.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.6	-170.6	180	0	0	0	0	0	111.2	I217 K271	G202-I217 PolarHBondContact N-O 2.98Å; G202-I217 PolarHBondContact O-N 3.25Å; G202-K271 CarbonylContact C-O 3.5Å; G202-K271 WeakPolarHBondContact CA-O 3.28Å
203	I	98.9	Very high	97.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	152.4	-177.4	-162.3	169.9	0	0	0	111.5	I180 W214 K215 V216 F270 K271 F275 A276 I279	I180-I203 HydrophobicContact CD1-CD1 4.17Å; I203-W214 HydrophobicContact CD1-CB 3.87Å; I203-W214 HydrophobicContact CD1-CD2 4.1Å; I203-W214 HydrophobicContact CD1-CE3 3.78Å; I203-W214 HydrophobicContact CD1-CG 4.19Å; I203-W214 HydrophobicContact CG1-CB 4.29Å; I203-W214 HydrophobicContact CG1-CE3 3.85Å; I203-W214 HydrophobicContact CG2-CE3 4.38Å; I203-W214 HydrophobicContact CG2-CZ3 4.38Å; I203-K215 WeakPolarHBondContact CA-O 3.49Å; I203-V216 HydrophobicContact CD1-CG2 3.82Å; I203-V216 HydrophobicContact CG1-CG2 4.1Å; I203-F270 CarbonylContact O-C 3.41Å; I203-F270 VanDerWaalsContact O-CA 3.31Å; I203-F270 WeakPolarHBondContact O-CA 3.48Å; I203-K271 HydrophobicContact CG2-CB 3.89Å; I203-K271 HydrophobicContact CG2-CG 4.45Å; I203-K271 PolarHBondContact N-O 3.43Å; I203-K271 PolarHBondContact O-N 2.96Å; I203-F275 HydrophobicContact CG2-CD1 3.79Å; I203-F275 HydrophobicContact CG2-CE1 4.32Å; I203-A276 HydrophobicContact CB-CB 3.65Å; I203-A276 HydrophobicContact CD1-CB 4.45Å; I203-A276 HydrophobicContact CG2-CB 3.75Å; I203-I279 HydrophobicContact CD1-CB 3.95Å; I203-I279 HydrophobicContact CD1-CG1 4.29Å; I203-I279 HydrophobicContact CD1-CG2 3.87Å
204	L	98.9	Very high	97.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	133.5	176.5	177.7	66.2	0	0	0	110.1	K215 T246 V247 F250 F264 F270	L204-K215 HydrophobicContact CB-CB 4.35Å; L204-K215 PolarHBondContact N-O 3.36Å; L204-K215 PolarHBondContact O-N 2.82Å; L204-T246 HydrophobicContact CD2-CG2 4.34Å; L204-V247 HydrophobicContact CD1-CG2 4.06Å; L204-V247 HydrophobicContact CD2-CG2 3.84Å; L204-F250 HydrophobicContact CD2-CD2 4.34Å; L204-F264 HydrophobicContact CD1-CD1 3.91Å; L204-F264 HydrophobicContact CD1-CE1 4.44Å; L204-F264 HydrophobicContact CD2-CD1 4Å; L204-F264 HydrophobicContact CD2-CE1 3.71Å; L204-F264 HydrophobicContact CG-CD1 3.91Å; L204-F264 HydrophobicContact CG-CE1 4.14Å; L204-F270 HydrophobicContact CB-CD1 3.85Å; L204-F270 HydrophobicContact CB-CE1 3.66Å; L204-F270 HydrophobicContact CB-CZ 4.33Å; L204-F270 HydrophobicContact CD1-CE1 4.42Å; L204-F270 HydrophobicContact CD1-CE2 4.46Å; L204-F270 HydrophobicContact CD1-CZ 4.35Å; L204-F270 HydrophobicContact CD2-CE1 4.07Å; L204-F270 HydrophobicContact CD2-CZ 3.96Å; L204-F270 HydrophobicContact CG-CE1 4.27Å; L204-F270 HydrophobicContact CG-CZ 4.46Å
205	A	98.6	Very high	97.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	100.2	175.4	0	0	0	0	0	110.2	M212 W214 F264 G265 F266	A205-M212 HydrophobicContact CB-CE 3.81Å; A205-W214 HydrophobicContact CB-CE3 3.93Å; A205-W214 HydrophobicContact CB-CH2 3.85Å; A205-W214 HydrophobicContact CB-CZ3 3.46Å; A205-W214 VanDerWaalsContact CB-CZ3 3.46Å; A205-F264 CarbonylContact O-C 3.56Å; A205-F264 WeakPolarHBondContact O-CA 3.45Å; A205-F264 VanDerWaalsContact O-CB 3.28Å; A205-F264 WeakPolarHBondContact O-CB 3.31Å; A205-F264 WeakPolarHBondContact O-CD1 3.34Å; A205-G265 PolarHBondContact O-N 3.44Å; A205-F266 HydrophobicContact CB-CD2 4.16Å; A205-F266 HydrophobicContact CB-CE2 4.43Å
206	M	98.6	Very high	97.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	145.3	170.6	-172.2	169	72.1	0	0	110.5	D208 M212 D213 F250 Y253 N262 F264	M206-D208 HydrophobicContact CE-CB 3.99Å; M206-M212 VanDerWaalsContact O-CE 3.31Å; M206-M212 WeakPolarHBondContact O-CE 3.34Å; M206-D213 WeakPolarHBondContact CA-O 3.48Å; M206-D213 WeakPolarHBondContact CB-O 3.41Å; M206-D213 HydrophobicContact CE-CB 4.33Å; M206-D213 WeakPolarHBondContact CE-OD2 3.24Å; M206-D213 PolarHBondContact N-O 3.32Å; M206-D213 PolarHBondContact O-N 3.24Å; M206-F250 HydrophobicContact CE-CD1 3.95Å; M206-F250 HydrophobicContact SD-CB 3.57Å; M206-F250 VanDerWaalsContact SD-CB 3.57Å; M206-F250 HydrophobicContact SD-CD1 3.73Å; M206-F250 HydrophobicContact SD-CG 3.89Å; M206-Y253 HydrophobicContact CE-CE1 4.33Å; M206-N262 HydrophobicContact CG-CB 4.14Å; M206-N262 HydrophobicContact SD-CB 4.05Å; M206-N262 PolarHBondContact SD-ND2 3.38Å; M206-F264 HydrophobicContact CB-CD1 4.08Å; M206-F264 HydrophobicContact CB-CE1 3.99Å; M206-F264 HydrophobicContact CG-CD1 4.27Å; M206-F264 HydrophobicContact CG-CE1 3.91Å; M206-F264 HydrophobicContact CG-CZ 4.44Å; M206-F264 HydrophobicContact SD-CE1 4.3Å
207	I	98.3	Very high	98	Very high	29 Å²	29	19 Å²	19	15%	0.149	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	104.9	167.2	-57	171	0	0	0	106.6	T171 E211 Q263	T171-I207 HydrophobicContact CG2-CD1 3.86Å; T171-I207 HydrophobicContact CG2-CG1 3.82Å; I207-E211 CarbonylContact C-O 3.59Å; I207-E211 WeakPolarHBondContact CA-O 3.35Å; I207-Q263 HydrophobicContact CB-CB 4.22Å; I207-Q263 HydrophobicContact CD1-CB 4.36Å; I207-Q263 PolarHBondContact N-O 2.94Å; I207-Q263 PolarHBondContact O-N 3.39Å
208	D	95.2	Very high	98	Very high	20 Å²	20	15.2 Å²	15.2	11%	0.107	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	107.8	179.4	-161.7	-65	0	0	0	109.1	M206 G210 E211 D213 Y253 K254 N262	M206-D208 HydrophobicContact CE-CB 3.99Å; D208-G210 PolarHBondContact O-N 2.84Å; D208-E211 PolarHBondContact N-O 2.76Å; D208-E211 PolarHBondContact O-N 2.98Å; D208-D213 HydrophobicContact CB-CB 4.14Å; D208-Y253 PolarHBondContact OD2-OH 2.89Å; D208-K254 IonicContact OD1-NZ 3.69Å; D208-K254 PolarHBondContact OD1-NZ 2.79Å; D208-K254 VanDerWaalsContact OD2-CE 3.27Å; D208-K254 WeakPolarHBondContact OD2-CE 3.05Å; D208-K254 IonicContact OD2-NZ 3.62Å; D208-K254 PolarHBondContact OD2-NZ 2.81Å; D208-N262 PolarHBondContact OD2-ND2 2.91Å
209	E	93.2	Very high	98	Very high	98 Å²	98	15.2 Å²	15.2	46%	0.458	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	13.1	176.3	-75	174.9	-136.8	0	0	117.3	K254 K259	E209-K254 IonicContact OE1-NZ 3.09Å; E209-K254 PolarHBondContact OE1-NZ 3.49Å; E209-K259 WeakPolarHBondContact OE1-CD 3.23Å; E209-K259 VanDerWaalsContact OE1-CE 3.28Å; E209-K259 WeakPolarHBondContact OE1-CE 3.05Å; E209-K259 IonicContact OE1-NZ 2.95Å; E209-K259 VanDerWaalsContact OE2-CE 3.22Å; E209-K259 WeakPolarHBondContact OE2-CE 3.27Å; E209-K259 IonicContact OE2-NZ 2.81Å; E209-K259 PolarHBondContact OE2-NZ 3.36Å
210	G	95.3	Very high	98	Very high	46 Å²	46	15.2 Å²	15.2	47%	0.474	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	115	-2.8	-179.7	0	0	0	0	0	113.9	D208	D208-G210 PolarHBondContact O-N 2.84Å
211	E	97.7	Very high	98	Very high	96 Å²	96	16 Å²	16	45%	0.449	9%	0.092	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	146.1	177.1	-66.1	165.5	153.1	0	0	109.6	C174 D176 I207 D208	C174-E211 CarbonylContact O-C 3.51Å; C174-E211 WeakPolarHBondContact O-CA 3.31Å; D176-E211 HydrophobicContact CB-CB 4.09Å; I207-E211 CarbonylContact C-O 3.59Å; I207-E211 WeakPolarHBondContact CA-O 3.35Å; D208-E211 PolarHBondContact N-O 2.76Å; D208-E211 PolarHBondContact O-N 2.98Å
212	M	98.3	Very high	97.8	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.01	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	127.7	170.7	-179.2	64.9	-121.8	0	0	107.9	D168 T171 C173 C174 D176 A205 M206 W214	D168-M212 HydrophobicContact CB-CB 4.3Å; D168-M212 HydrophobicContact CB-CG 3.87Å; D168-M212 HydrophobicContact CB-SD 4.17Å; T171-M212 HydrophobicContact CG2-SD 3.58Å; T171-M212 VanDerWaalsContact CG2-SD 3.58Å; T171-M212 PolarHBondContact OG1-SD 3.47Å; T171-M212 VanDerWaalsContact OG1-SD 3.35Å; C173-M212 HydrophobicContact CB-CB 4.05Å; C174-M212 PolarHBondContact O-N 2.95Å; D176-M212 PolarHBondContact N-O 3.02Å; A205-M212 HydrophobicContact CB-CE 3.81Å; M206-M212 VanDerWaalsContact O-CE 3.31Å; M206-M212 WeakPolarHBondContact O-CE 3.34Å; M212-W214 HydrophobicContact CE-CB 4.44Å; M212-W214 HydrophobicContact CE-CD2 3.42Å; M212-W214 VanDerWaalsContact CE-CD2 3.42Å; M212-W214 VanDerWaalsContact CE-CE2 3.45Å; M212-W214 HydrophobicContact CE-CE3 3.91Å; M212-W214 HydrophobicContact CE-CG 3.64Å; M212-W214 HydrophobicContact CE-CH2 4.42Å; M212-W214 HydrophobicContact CE-CZ2 3.97Å; M212-W214 HydrophobicContact CE-CZ3 4.41Å; M212-W214 HydrophobicContact SD-CD2 4.49Å; M212-W214 HydrophobicContact SD-CZ2 4.1Å
213	D	98.4	Very high	97.8	Very high	7 Å²	7	23.1 Å²	23.1	4%	0.037	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	101.6	-175.7	177.6	-6.2	0	0	0	108.8	M206 D208 K215	M206-D213 WeakPolarHBondContact CA-O 3.48Å; M206-D213 WeakPolarHBondContact CB-O 3.41Å; M206-D213 HydrophobicContact CE-CB 4.33Å; M206-D213 WeakPolarHBondContact CE-OD2 3.24Å; M206-D213 PolarHBondContact N-O 3.32Å; M206-D213 PolarHBondContact O-N 3.24Å; D208-D213 HydrophobicContact CB-CB 4.14Å; D213-K215 VanDerWaalsContact CG-CE 3.44Å; D213-K215 WeakPolarHBondContact OD1-CE 3.28Å; D213-K215 IonicContact OD1-NZ 2.59Å; D213-K215 PolarHBondContact OD1-NZ 3.35Å; D213-K215 WeakPolarHBondContact OD2-CE 3.27Å; D213-K215 IonicContact OD2-NZ 2.76Å; D213-K215 PolarHBondContact OD2-NZ 3.01Å
214	W	98.8	Very high	97.7	Very high	8 Å²	8	31 Å²	31	3%	0.03	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	123.8	-175.7	-69.7	100.8	0	0	0	112.9	E162 I180 D181 I203 A205 M212 F266 F275 I279	E162-W214 WeakPolarHBondContact OE1-CB 3.13Å; E162-W214 VanDerWaalsContact OE1-CD1 3.3Å; E162-W214 PolarHBondContact OE1-N 3.13Å; E162-W214 VanDerWaalsContact OE2-CD1 3.27Å; I180-W214 HydrophobicContact CD1-CB 3.87Å; I180-W214 HydrophobicContact CG1-CB 3.89Å; D181-W214 PolarHBondContact N-O 2.7Å; I203-W214 HydrophobicContact CD1-CB 3.87Å; I203-W214 HydrophobicContact CD1-CD2 4.1Å; I203-W214 HydrophobicContact CD1-CE3 3.78Å; I203-W214 HydrophobicContact CD1-CG 4.19Å; I203-W214 HydrophobicContact CG1-CB 4.29Å; I203-W214 HydrophobicContact CG1-CE3 3.85Å; I203-W214 HydrophobicContact CG2-CE3 4.38Å; I203-W214 HydrophobicContact CG2-CZ3 4.38Å; A205-W214 HydrophobicContact CB-CE3 3.93Å; A205-W214 HydrophobicContact CB-CH2 3.85Å; A205-W214 HydrophobicContact CB-CZ3 3.46Å; A205-W214 VanDerWaalsContact CB-CZ3 3.46Å; M212-W214 HydrophobicContact CE-CB 4.44Å; M212-W214 HydrophobicContact CE-CD2 3.42Å; M212-W214 VanDerWaalsContact CE-CD2 3.42Å; M212-W214 VanDerWaalsContact CE-CE2 3.45Å; M212-W214 HydrophobicContact CE-CE3 3.91Å; M212-W214 HydrophobicContact CE-CG 3.64Å; M212-W214 HydrophobicContact CE-CH2 4.42Å; M212-W214 HydrophobicContact CE-CZ2 3.97Å; M212-W214 HydrophobicContact CE-CZ3 4.41Å; M212-W214 HydrophobicContact SD-CD2 4.49Å; M212-W214 HydrophobicContact SD-CZ2 4.1Å; W214-F266 AromaticContact CH2-CE2 3.92Å; W214-F266 HydrophobicContact CH2-CE2 3.92Å; W214-F266 HydrophobicContact CZ3-CE2 4.21Å; W214-F275 AromaticContact CH2-CE1 3.73Å; W214-F275 HydrophobicContact CH2-CE1 3.73Å; W214-F275 HydrophobicContact CH2-CZ 4.1Å; W214-F275 AromaticContact CZ3-CE1 3.85Å; W214-F275 HydrophobicContact CZ3-CE1 3.85Å; W214-I279 HydrophobicContact CB-CG2 4.42Å; W214-I279 HydrophobicContact CD2-CG1 4.48Å; W214-I279 HydrophobicContact CD2-CG2 3.91Å; W214-I279 HydrophobicContact CG-CG2 3.8Å; W214-I279 HydrophobicContact CH2-CD1 4.17Å; W214-I279 HydrophobicContact CH2-CG1 4.41Å; W214-I279 HydrophobicContact CZ2-CD1 3.79Å; W214-I279 HydrophobicContact CZ2-CG1 4.31Å
215	K	98.9	Very high	97.6	Very high	3 Å²	3	32.9 Å²	32.9	1%	0.013	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	99.5	176.4	-51	-54.5	-175.3	-167.5	0	111.2	Y154 D181 I203 L204 D213 F250	Y154-K215 PolarHBondContact OH-NZ 2.74Å; D181-K215 HydrophobicContact CB-CD 3.65Å; D181-K215 IonicContact OD2-NZ 2.66Å; D181-K215 PolarHBondContact OD2-NZ 2.8Å; I203-K215 WeakPolarHBondContact CA-O 3.49Å; L204-K215 HydrophobicContact CB-CB 4.35Å; L204-K215 PolarHBondContact N-O 3.36Å; L204-K215 PolarHBondContact O-N 2.82Å; D213-K215 VanDerWaalsContact CG-CE 3.44Å; D213-K215 WeakPolarHBondContact OD1-CE 3.28Å; D213-K215 IonicContact OD1-NZ 2.59Å; D213-K215 PolarHBondContact OD1-NZ 3.35Å; D213-K215 WeakPolarHBondContact OD2-CE 3.27Å; D213-K215 IonicContact OD2-NZ 2.76Å; D213-K215 PolarHBondContact OD2-NZ 3.01Å; K215-F250 HydrophobicContact CB-CE2 4.1Å; K215-F250 HydrophobicContact CB-CZ 4.34Å; K215-F250 HydrophobicContact CD-CE1 3.97Å; K215-F250 HydrophobicContact CD-CE2 4.37Å; K215-F250 HydrophobicContact CD-CZ 3.81Å; K215-F250 HydrophobicContact CG-CD1 4.49Å; K215-F250 HydrophobicContact CG-CD2 4.21Å; K215-F250 HydrophobicContact CG-CE1 4.11Å; K215-F250 HydrophobicContact CG-CE2 3.79Å; K215-F250 HydrophobicContact CG-CZ 3.75Å
216	V	98.9	Very high	97.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	129.9	174.3	-179.7	0	0	0	0	109.9	I180 D181 V182 C183 V200 I203 A218 I280	I180-V216 HydrophobicContact CD1-CG2 3.85Å; I180-V216 HydrophobicContact CG1-CG2 4.14Å; D181-V216 VanDerWaalsContact O-CB 3.28Å; D181-V216 WeakPolarHBondContact O-CB 3.25Å; D181-V216 WeakPolarHBondContact O-CG2 3.43Å; D181-V216 PolarHBondContact O-N 2.9Å; V182-V216 WeakPolarHBondContact CA-O 3.42Å; V182-V216 HydrophobicContact CG2-CB 4.27Å; C183-V216 PolarHBondContact N-O 2.84Å; V200-V216 HydrophobicContact CB-CG1 4.49Å; V200-V216 HydrophobicContact CG1-CG1 3.99Å; V200-V216 HydrophobicContact CG2-CG1 3.93Å; I203-V216 HydrophobicContact CD1-CG2 3.82Å; I203-V216 HydrophobicContact CG1-CG2 4.1Å; V216-A218 HydrophobicContact CG1-CB 4.46Å; V216-I280 HydrophobicContact CG1-CD1 4.15Å; V216-I280 HydrophobicContact CG2-CD1 4.03Å; V216-I280 HydrophobicContact CG2-CG1 4.1Å
217	I	98.9	Very high	97.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	119.1	171.6	-54.2	-51.2	0	0	0	108.2	C183 I185 L201 G202 I232 T246 F270	C183-I217 HydrophobicContact CB-CD1 3.8Å; I185-I217 HydrophobicContact CG2-CG2 4.07Å; L201-I217 WeakPolarHBondContact CB-O 3.39Å; L201-I217 PolarHBondContact N-O 3.35Å; G202-I217 PolarHBondContact N-O 2.98Å; G202-I217 PolarHBondContact O-N 3.25Å; I217-I232 HydrophobicContact CB-CD1 4.23Å; I217-I232 HydrophobicContact CG1-CD1 4.34Å; I217-I232 HydrophobicContact CG2-CD1 4.18Å; I217-T246 HydrophobicContact CD1-CG2 4.23Å; I217-F270 HydrophobicContact CD1-CE1 3.88Å; I217-F270 HydrophobicContact CG1-CD1 3.75Å; I217-F270 HydrophobicContact CG1-CE1 3.57Å
218	A	98.9	Very high	97.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	165.2	-175.8	0	0	0	0	0	111.6	V182 C183 D184 I185 V198 K199 V216	V182-A218 HydrophobicContact CG1-CB 3.79Å; C183-A218 PolarHBondContact O-N 3.38Å; D184-A218 WeakPolarHBondContact CA-O 3.28Å; I185-A218 WeakPolarHBondContact CG1-O 3.38Å; I185-A218 PolarHBondContact N-O 2.59Å; V198-A218 HydrophobicContact CB-CB 3.91Å; V198-A218 HydrophobicContact CG2-CB 3.96Å; K199-A218 CarbonylContact O-C 3.55Å; K199-A218 VanDerWaalsContact O-CA 3.23Å; K199-A218 WeakPolarHBondContact O-CA 3.4Å; K199-A218 WeakPolarHBondContact O-CB 3.25Å; V216-A218 HydrophobicContact CG1-CB 4.46Å
219	I	98.8	Very high	97.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	133.2	172.7	-172.9	162.5	0	0	0	110.6	I185 V198 K199 L201 A221 D223 D225 A226 L229	I185-I219 HydrophobicContact CG1-CB 4.07Å; I185-I219 HydrophobicContact CG1-CD1 4.36Å; I185-I219 HydrophobicContact CG1-CG1 4.37Å; V198-I219 CarbonylContact C-O 3.54Å; V198-I219 VanDerWaalsContact CA-O 3.31Å; V198-I219 WeakPolarHBondContact CA-O 2.95Å; K199-I219 HydrophobicContact CB-CG2 4.39Å; K199-I219 PolarHBondContact N-O 2.98Å; K199-I219 PolarHBondContact O-N 2.86Å; L201-I219 HydrophobicContact CD1-CB 4.11Å; L201-I219 HydrophobicContact CD1-CG2 3.91Å; L201-I219 HydrophobicContact CD2-CG2 4.14Å; L201-I219 HydrophobicContact CG-CG2 4.24Å; I219-A221 PolarHBondContact O-N 3.2Å; I219-D223 HydrophobicContact CD1-CB 4.06Å; I219-D223 HydrophobicContact CG1-CB 3.94Å; I219-D225 HydrophobicContact CD1-CB 4.2Å; I219-A226 HydrophobicContact CG1-CB 4.46Å; I219-A226 HydrophobicContact CG2-CB 4.42Å; I219-L229 HydrophobicContact CD1-CD1 3.8Å; I219-L229 HydrophobicContact CD1-CG 4.49Å
220	N	98.3	Very high	97.7	Very high	7 Å²	7	43.9 Å²	43.9	4%	0.037	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-47.4	125.7	169.8	-174.5	-24.3	0	0	0	110.6	D184 I196 Q197 N222 D223 A226	D184-N220 PolarHBondContact OD1-N 3.1Å; I196-N220 HydrophobicContact CD1-CB 4.28Å; Q197-N220 CarbonylContact O-C 3.5Å; Q197-N220 WeakPolarHBondContact O-CA 3.22Å; N220-N222 PolarHBondContact O-N 2.83Å; N220-N222 VanDerWaalsContact O-N 3.14Å; N220-N222 PolarHBondContact OD1-N 3.06Å; N220-N222 VanDerWaalsContact OD1-N 3.09Å; N220-D223 HydrophobicContact CB-CB 4.49Å; N220-D223 VanDerWaalsContact O-CB 3.27Å; N220-D223 WeakPolarHBondContact O-CB 3.4Å; N220-D223 PolarHBondContact O-N 3.09Å; N220-A226 VanDerWaalsContact O-CB 3.27Å; N220-A226 WeakPolarHBondContact O-CB 3.18Å
221	A	96.9	Very high	97.8	Very high	19 Å²	19	43.7 Å²	43.7	16%	0.157	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-20.9	-174.2	0	0	0	0	0	113.7	L103 Q197 I219	L103-A221 HydrophobicContact CD1-CB 3.76Å; L103-A221 HydrophobicContact CD2-CB 3.79Å; L103-A221 HydrophobicContact CG-CB 4.42Å; Q197-A221 HydrophobicContact CB-CB 4.25Å; Q197-A221 WeakPolarHBondContact O-CB 3.02Å; Q197-A221 PolarHBondContact O-N 2.64Å; I219-A221 PolarHBondContact O-N 3.2Å
222	N	96.2	Very high	97.8	Very high	136 Å²	136	39.2 Å²	39.2	73%	0.727	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.5	2.6	177.4	-62.1	-40.6	0	0	0	113.5	N220	N220-N222 PolarHBondContact O-N 2.83Å; N220-N222 VanDerWaalsContact O-N 3.14Å; N220-N222 PolarHBondContact OD1-N 3.06Å; N220-N222 VanDerWaalsContact OD1-N 3.09Å
223	D	97.9	Very high	97.8	Very high	15 Å²	15	43.2 Å²	43.2	8%	0.08	22%	0.216	C	C	.	.	S	Bend	trans	-73.2	146.2	176.7	-170.1	-95.2	0	0	0	112.1	T187 I219 N220 D225 A226 R239	T187-D223 WeakPolarHBondContact CB-OD2 3.36Å; T187-D223 WeakPolarHBondContact CG2-OD2 3.46Å; T187-D223 PolarHBondContact N-OD2 3.28Å; T187-D223 PolarHBondContact OG1-OD2 2.8Å; I219-D223 HydrophobicContact CD1-CB 4.06Å; I219-D223 HydrophobicContact CG1-CB 3.94Å; N220-D223 HydrophobicContact CB-CB 4.49Å; N220-D223 VanDerWaalsContact O-CB 3.27Å; N220-D223 WeakPolarHBondContact O-CB 3.4Å; N220-D223 PolarHBondContact O-N 3.09Å; D223-D225 PolarHBondContact O-N 3.15Å; D223-D225 WeakPolarHBondContact OD1-CB 3.44Å; D223-D225 PolarHBondContact OD1-N 2.62Å; D223-A226 HydrophobicContact CB-CB 4.13Å; D223-A226 WeakPolarHBondContact O-CB 3.39Å; D223-A226 PolarHBondContact O-N 3.08Å; D223-R239 IonicContact OD1-NH2 2.81Å
224	E	97.1	Very high	97.8	Very high	166 Å²	166	44.6 Å²	44.6	78%	0.776	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-21.8	-178.9	-59.7	-178.4	-162.3	0	0	113.9	K228	E224-K228 PolarHBondContact O-NZ 3.37Å
225	D	96.9	Very high	97.8	Very high	38 Å²	38	44.2 Å²	44.2	20%	0.203	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-4.2	172.7	-71.7	-27.5	0	0	0	113.4	I219 D223 E227 K228 L229 R239	I219-D225 HydrophobicContact CD1-CB 4.2Å; D223-D225 PolarHBondContact O-N 3.15Å; D223-D225 WeakPolarHBondContact OD1-CB 3.44Å; D223-D225 PolarHBondContact OD1-N 2.62Å; D225-E227 PolarHBondContact O-N 2.9Å; D225-E227 VanDerWaalsContact O-N 3.08Å; D225-K228 PolarHBondContact O-N 3.01Å; D225-K228 WeakPolarHBondContact OD1-CD 3.4Å; D225-K228 IonicContact OD1-NZ 2.61Å; D225-K228 PolarHBondContact OD1-NZ 3.11Å; D225-L229 HydrophobicContact CB-CD1 4.32Å; D225-L229 HydrophobicContact CB-CG 4.24Å; D225-L229 PolarHBondContact O-N 2.78Å; D225-R239 IonicContact OD2-CZ 2.58Å; D225-R239 IonicContact OD2-NE 2.85Å; D225-R239 IonicContact OD2-NH2 3.61Å; D225-R239 PolarHBondContact OD2-NH2 3Å
226	A	96.9	Very high	97.8	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.008	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-11.8	-173.6	0	0	0	0	0	114.9	K101 K199 I219 N220 D223	K101-A226 PolarHBondContact NZ-O 3.42Å; K199-A226 WeakPolarHBondContact CE-O 3.38Å; K199-A226 PolarHBondContact NZ-O 2.84Å; I219-A226 HydrophobicContact CG1-CB 4.46Å; I219-A226 HydrophobicContact CG2-CB 4.42Å; N220-A226 VanDerWaalsContact O-CB 3.27Å; N220-A226 WeakPolarHBondContact O-CB 3.18Å; D223-A226 HydrophobicContact CB-CB 4.13Å; D223-A226 WeakPolarHBondContact O-CB 3.39Å; D223-A226 PolarHBondContact O-N 3.08Å
227	E	96	Very high	97.7	Very high	166 Å²	166	54.9 Å²	54.9	78%	0.776	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-31.2	167.7	-63.3	-165.2	152.9	0	0	112.4	D225 N230	D225-E227 PolarHBondContact O-N 2.9Å; D225-E227 VanDerWaalsContact O-N 3.08Å; E227-N230 PolarHBondContact O-ND2 2.98Å
228	K	97	Very high	97.7	Very high	131 Å²	131	57.8 Å²	57.8	57%	0.57	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-37.4	-174.3	-54.3	169.6	-154.7	150.7	0	112.1	E224 D225 N230	E224-K228 PolarHBondContact O-NZ 3.37Å; D225-K228 PolarHBondContact O-N 3.01Å; D225-K228 WeakPolarHBondContact OD1-CD 3.4Å; D225-K228 IonicContact OD1-NZ 2.61Å; D225-K228 PolarHBondContact OD1-NZ 3.11Å; K228-N230 PolarHBondContact O-ND2 3.47Å
229	L	97.8	Very high	97.6	Very high	3 Å²	3	59.7 Å²	59.7	2%	0.016	29%	0.294	C	S	.	.			trans	-91.7	106.1	-177.8	-49.2	-172.2	0	0	0	110.3	I185 K199 L201 I219 D225 D234 V235 S238	I185-L229 HydrophobicContact CD1-CD1 3.99Å; K199-L229 WeakPolarHBondContact CE-O 3.37Å; K199-L229 PolarHBondContact NZ-O 3.43Å; L201-L229 HydrophobicContact CD1-CB 4.13Å; L201-L229 HydrophobicContact CD2-CB 4.21Å; L201-L229 WeakPolarHBondContact CD2-O 3.44Å; I219-L229 HydrophobicContact CD1-CD1 3.8Å; I219-L229 HydrophobicContact CD1-CG 4.49Å; D225-L229 HydrophobicContact CB-CD1 4.32Å; D225-L229 HydrophobicContact CB-CG 4.24Å; D225-L229 PolarHBondContact O-N 2.78Å; L229-D234 HydrophobicContact CB-CB 4.39Å; L229-D234 HydrophobicContact CD2-CB 3.89Å; L229-V235 HydrophobicContact CD1-CG2 4.47Å; L229-S238 WeakPolarHBondContact CD2-OG 3.28Å
230	N	97.1	Very high	97.6	Very high	77 Å²	77	64.9 Å²	64.9	41%	0.412	33%	0.328	S	S	.	.			trans	-116.7	-21.7	-176.6	-65.7	-74.9	0	0	0	113.4	K199 E227 K228 D234 K273	K199-N230 PolarHBondContact NZ-OD1 3.28Å; E227-N230 PolarHBondContact O-ND2 2.98Å; K228-N230 PolarHBondContact O-ND2 3.47Å; N230-D234 WeakPolarHBondContact CA-OD2 3.27Å; N230-D234 PolarHBondContact N-OD2 3.43Å; N230-K273 WeakPolarHBondContact O-CD 3.49Å
231	C	97.7	Very high	97.6	Very high	42 Å²	42	66.5 Å²	66.5	28%	0.284	35%	0.346	S	S	.	.	S	Bend	trans	-141	174.5	168.7	69.8	0	0	0	0	111.7	L201 E233 D234	L201-C231 CarbonylContact O-C 3.55Å; C231-E233 PolarHBondContact O-N 3.44Å; C231-D234 PolarHBondContact N-OD2 2.94Å; C231-D234 WeakPolarHBondContact O-CB 3.42Å; C231-D234 PolarHBondContact O-N 2.82Å
232	I	98.3	Very high	97.6	Very high	3 Å²	3	67.2 Å²	67.2	2%	0.015	35%	0.346	C	S	.	.	H	α-helix	trans	-58.8	-29.5	179.6	-162.3	66	0	0	0	113.7	L201 I217 D234 V235 R236 L243 F270	L201-I232 PolarHBondContact O-N 3.25Å; I217-I232 HydrophobicContact CB-CD1 4.23Å; I217-I232 HydrophobicContact CG1-CD1 4.34Å; I217-I232 HydrophobicContact CG2-CD1 4.18Å; I232-D234 VanDerWaalsContact C-N 3.31Å; I232-D234 PolarHBondContact O-N 3.01Å; I232-V235 WeakPolarHBondContact O-CB 3.44Å; I232-V235 PolarHBondContact O-N 2.81Å; I232-R236 PolarHBondContact O-N 2.85Å; I232-R236 VanDerWaalsContact O-N 3.15Å; I232-L243 HydrophobicContact CD1-CD1 3.58Å; I232-L243 HydrophobicContact CD1-CD2 3.8Å; I232-L243 HydrophobicContact CD1-CG 4.37Å; I232-L243 HydrophobicContact CG1-CD1 3.63Å; I232-F270 HydrophobicContact CD1-CB 4.1Å; I232-F270 HydrophobicContact CD1-CD1 4.02Å; I232-F270 HydrophobicContact CD1-CG 4.15Å; I232-F270 HydrophobicContact CG1-CB 3.69Å; I232-F270 HydrophobicContact CG1-CG 4.2Å
233	E	98.4	Very high	97.8	Very high	86 Å²	86	60.8 Å²	60.8	40%	0.402	31%	0.312	S	S	.	.	H	α-helix	trans	-68.6	-29.1	175.9	-55.7	-51.8	152	0	0	113.1	C231 V235 R236 K237	C231-E233 PolarHBondContact O-N 3.44Å; E233-V235 VanDerWaalsContact C-N 3.28Å; E233-R236 PolarHBondContact O-N 2.84Å; E233-R236 IonicContact OE1-CZ 2.68Å; E233-R236 IonicContact OE1-NH1 2.64Å; E233-R236 PolarHBondContact OE1-NH1 2.93Å; E233-R236 IonicContact OE2-CZ 2.93Å; E233-R236 IonicContact OE2-NH1 2.55Å; E233-R236 PolarHBondContact OE2-NH1 3.01Å; E233-K237 WeakPolarHBondContact O-CD 3.28Å; E233-K237 VanDerWaalsContact O-CG 3.24Å; E233-K237 WeakPolarHBondContact O-CG 3.27Å; E233-K237 PolarHBondContact O-N 3.09Å
234	D	98.5	Very high	97.8	Very high	36 Å²	36	65 Å²	65	19%	0.193	33%	0.331	C	S	.	.	H	α-helix	trans	-69.7	-33.2	175.6	-57.1	-34.2	0	0	0	110.3	L229 N230 C231 I232 K237 S238	L229-D234 HydrophobicContact CB-CB 4.39Å; L229-D234 HydrophobicContact CD2-CB 3.89Å; N230-D234 WeakPolarHBondContact CA-OD2 3.27Å; N230-D234 PolarHBondContact N-OD2 3.43Å; C231-D234 PolarHBondContact N-OD2 2.94Å; C231-D234 WeakPolarHBondContact O-CB 3.42Å; C231-D234 PolarHBondContact O-N 2.82Å; I232-D234 VanDerWaalsContact C-N 3.31Å; I232-D234 PolarHBondContact O-N 3.01Å; D234-K237 PolarHBondContact O-N 3.09Å; D234-K237 IonicContact OD1-NZ 2.68Å; D234-S238 VanDerWaalsContact O-CB 3.24Å; D234-S238 WeakPolarHBondContact O-CB 3.4Å; D234-S238 PolarHBondContact O-N 3.14Å; D234-S238 PolarHBondContact O-OG 3.29Å
235	V	98.6	Very high	97.9	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-63.5	-49.7	171.4	-170.4	0	0	0	0	110.2	I185 L201 L229 I232 E233 K237 S238 R239 L243	I185-V235 HydrophobicContact CD1-CB 4.49Å; I185-V235 HydrophobicContact CD1-CG1 3.85Å; I185-V235 HydrophobicContact CD1-CG2 3.79Å; L201-V235 HydrophobicContact CB-CG2 4.45Å; L201-V235 HydrophobicContact CD1-CG2 3.63Å; L229-V235 HydrophobicContact CD1-CG2 4.47Å; I232-V235 WeakPolarHBondContact O-CB 3.44Å; I232-V235 PolarHBondContact O-N 2.81Å; E233-V235 VanDerWaalsContact C-N 3.28Å; V235-K237 VanDerWaalsContact C-N 3.29Å; V235-K237 PolarHBondContact O-N 3.37Å; V235-S238 PolarHBondContact O-N 3.2Å; V235-S238 PolarHBondContact O-OG 2.85Å; V235-R239 CarbonylContact O-C 3.58Å; V235-R239 WeakPolarHBondContact O-CA 3.23Å; V235-R239 PolarHBondContact O-N 2.93Å; V235-L243 HydrophobicContact CB-CD2 4.48Å; V235-L243 HydrophobicContact CG1-CD2 3.88Å; V235-L243 HydrophobicContact CG1-CG 4.08Å
236	R	98.1	Very high	98	Very high	75 Å²	75	56.2 Å²	56.2	28%	0.283	29%	0.292	S	S	.	.	H	α-helix	trans	-56	-41	177.4	-68.8	-166.7	-174.1	97.6	-3.4	113	I232 E233 L243	I232-R236 PolarHBondContact O-N 2.85Å; I232-R236 VanDerWaalsContact O-N 3.15Å; E233-R236 PolarHBondContact O-N 2.84Å; E233-R236 IonicContact OE1-CZ 2.68Å; E233-R236 IonicContact OE1-NH1 2.64Å; E233-R236 PolarHBondContact OE1-NH1 2.93Å; E233-R236 IonicContact OE2-CZ 2.93Å; E233-R236 IonicContact OE2-NH1 2.55Å; E233-R236 PolarHBondContact OE2-NH1 3.01Å; R236-L243 HydrophobicContact CG-CD1 3.51Å; R236-L243 HydrophobicContact CG-CG 4.42Å
237	K	98.2	Very high	98	Very high	151 Å²	151	56.9 Å²	56.9	66%	0.657	30%	0.296	S	S	*	.	H	α-helix	trans	-74.5	-45	-179.6	-66.9	163.6	-163.9	160.6	0	113.3	E233 D234 V235	E233-K237 WeakPolarHBondContact O-CD 3.28Å; E233-K237 VanDerWaalsContact O-CG 3.24Å; E233-K237 WeakPolarHBondContact O-CG 3.27Å; E233-K237 PolarHBondContact O-N 3.09Å; D234-K237 PolarHBondContact O-N 3.09Å; D234-K237 IonicContact OD1-NZ 2.68Å; V235-K237 VanDerWaalsContact C-N 3.29Å; V235-K237 PolarHBondContact O-N 3.37Å
238	S	97.7	Very high	98.2	Very high	62 Å²	62	52.2 Å²	52.2	43%	0.434	28%	0.275	S	S	.	.	H	α-helix	trans	-82.2	-28.8	-174.1	61.3	0	0	0	0	113.4	L229 D234 V235	L229-S238 WeakPolarHBondContact CD2-OG 3.28Å; D234-S238 VanDerWaalsContact O-CB 3.24Å; D234-S238 WeakPolarHBondContact O-CB 3.4Å; D234-S238 PolarHBondContact O-N 3.14Å; D234-S238 PolarHBondContact O-OG 3.29Å; V235-S238 PolarHBondContact O-N 3.2Å; V235-S238 PolarHBondContact O-OG 2.85Å
239	R	97.3	Very high	98.2	Very high	39 Å²	39	46.2 Å²	46.2	15%	0.147	25%	0.248	C	C	.	.	S	Bend	trans	-133.9	67.7	-173.5	-62.1	169.1	-176.2	-166.1	-2.9	110.1	I185 D223 D225 V235 G241 H242	I185-R239 PolarHBondContact O-NH1 3.02Å; D223-R239 IonicContact OD1-NH2 2.81Å; D225-R239 IonicContact OD2-CZ 2.58Å; D225-R239 IonicContact OD2-NE 2.85Å; D225-R239 IonicContact OD2-NH2 3.61Å; D225-R239 PolarHBondContact OD2-NH2 3Å; V235-R239 CarbonylContact O-C 3.58Å; V235-R239 WeakPolarHBondContact O-CA 3.23Å; V235-R239 PolarHBondContact O-N 2.93Å; R239-G241 PolarHBondContact O-N 2.81Å; R239-H242 HydrophobicContact CB-CB 3.87Å; R239-H242 WeakPolarHBondContact O-CB 3.11Å; R239-H242 PolarHBondContact O-N 3.06Å
240	P	98.1	Very high	98.3	Very high	110 Å²	110	46.2 Å²	46.2	71%	0.714	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	137.6	-178.9	-23.6	35	0	0	0	112.3	H242	P240-H242 VanDerWaalsContact C-N 3.28Å; P240-H242 PolarHBondContact O-N 3.2Å
241	G	98.2	Very high	98.4	Very high	41 Å²	41	46.2 Å²	46.2	42%	0.423	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	-8.4	-179	0	0	0	0	0	114.9	R239 E244 A245	R239-G241 PolarHBondContact O-N 2.81Å; G241-E244 WeakPolarHBondContact CA-OE2 3.31Å; G241-E244 PolarHBondContact N-OE2 2.91Å; G241-A245 VanDerWaalsContact O-CB 3.22Å; G241-A245 WeakPolarHBondContact O-CB 3.39Å; G241-A245 PolarHBondContact O-N 3.3Å
242	H	98.4	Very high	98.4	Very high	33 Å²	33	47.1 Å²	47.1	15%	0.153	24%	0.241	C	C	.	.	H	α-helix	trans	-73	-41.5	-175	-173.3	109.2	0	0	0	112.9	W152 I185 R239 P240 E244 T246	W152-H242 AromaticContact CE3-CE1 3.91Å; W152-H242 AromaticContact CE3-NE2 3.88Å; W152-H242 AromaticContact CH2-CD2 3.57Å; W152-H242 AromaticContact CH2-CE1 3.52Å; W152-H242 AromaticContact CH2-CG 3.65Å; W152-H242 AromaticContact CH2-ND1 3.6Å; W152-H242 AromaticContact CH2-NE2 3.52Å; W152-H242 AromaticContact CZ3-CD2 3.85Å; W152-H242 AromaticContact CZ3-CE1 3.05Å; W152-H242 WeakPolarHBondContact CZ3-CE1 3.14Å; W152-H242 AromaticContact CZ3-ND1 3.54Å; W152-H242 AromaticContact CZ3-NE2 3.27Å; W152-H242 VanDerWaalsContact CZ3-NE2 3.27Å; W152-H242 WeakPolarHBondContact CZ3-NE2 3.35Å; I185-H242 WeakPolarHBondContact CB-NE2 3.44Å; I185-H242 WeakPolarHBondContact CG2-NE2 3.5Å; R239-H242 HydrophobicContact CB-CB 3.87Å; R239-H242 WeakPolarHBondContact O-CB 3.11Å; R239-H242 PolarHBondContact O-N 3.06Å; P240-H242 VanDerWaalsContact C-N 3.28Å; P240-H242 PolarHBondContact O-N 3.2Å; H242-E244 PolarHBondContact N-OE2 2.85Å; H242-T246 PolarHBondContact O-N 2.84Å; H242-T246 PolarHBondContact O-OG1 2.92Å
243	L	98.8	Very high	98.4	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-74	-36.5	176.7	-66.9	-168.7	0	0	0	111.2	I232 V235 R236 T246 V247 F270	I232-L243 HydrophobicContact CD1-CD1 3.58Å; I232-L243 HydrophobicContact CD1-CD2 3.8Å; I232-L243 HydrophobicContact CD1-CG 4.37Å; I232-L243 HydrophobicContact CG1-CD1 3.63Å; V235-L243 HydrophobicContact CB-CD2 4.48Å; V235-L243 HydrophobicContact CG1-CD2 3.88Å; V235-L243 HydrophobicContact CG1-CG 4.08Å; R236-L243 HydrophobicContact CG-CD1 3.51Å; R236-L243 HydrophobicContact CG-CG 4.42Å; L243-T246 VanDerWaalsContact O-CB 3.26Å; L243-T246 WeakPolarHBondContact O-CB 3.45Å; L243-T246 PolarHBondContact O-N 2.99Å; L243-T246 VanDerWaalsContact O-N 3.17Å; L243-V247 WeakPolarHBondContact O-CG2 3.47Å; L243-V247 PolarHBondContact O-N 3.06Å; L243-F270 HydrophobicContact CB-CD2 4.07Å; L243-F270 HydrophobicContact CB-CE2 3.56Å; L243-F270 HydrophobicContact CB-CZ 3.98Å; L243-F270 HydrophobicContact CD1-CD2 3.99Å; L243-F270 HydrophobicContact CD1-CE2 4.28Å; L243-F270 HydrophobicContact CD1-CG 4.24Å; L243-F270 HydrophobicContact CD2-CD1 4.38Å; L243-F270 HydrophobicContact CD2-CE1 4.04Å; L243-F270 HydrophobicContact CD2-CE2 4.27Å; L243-F270 HydrophobicContact CD2-CZ 3.99Å; L243-F270 HydrophobicContact CG-CD2 4.45Å; L243-F270 HydrophobicContact CG-CE2 4.25Å; L243-F270 HydrophobicContact CG-CZ 4.45Å
244	E	98.6	Very high	98.3	Very high	103 Å²	103	44.1 Å²	44.1	48%	0.481	23%	0.227	S	C	.	.	H	α-helix	trans	-62.4	-44.1	174.4	-62.1	70.1	-156.3	0	0	110.5	G241 H242 T246 V247 E248	G241-E244 WeakPolarHBondContact CA-OE2 3.31Å; G241-E244 PolarHBondContact N-OE2 2.91Å; H242-E244 PolarHBondContact N-OE2 2.85Å; E244-T246 VanDerWaalsContact C-N 3.35Å; E244-T246 PolarHBondContact O-N 2.92Å; E244-V247 PolarHBondContact O-N 3.33Å; E244-E248 PolarHBondContact O-N 2.82Å
245	A	98.8	Very high	98.2	Very high	20 Å²	20	45.5 Å²	45.5	17%	0.165	24%	0.236	C	C	.	.	H	α-helix	trans	-63.6	-35.6	172.3	0	0	0	0	0	113.1	I151 G241 E248 W249	I151-A245 HydrophobicContact CD1-CB 4.25Å; G241-A245 VanDerWaalsContact O-CB 3.22Å; G241-A245 WeakPolarHBondContact O-CB 3.39Å; G241-A245 PolarHBondContact O-N 3.3Å; A245-E248 PolarHBondContact O-N 3.36Å; A245-W249 VanDerWaalsContact O-CB 3.23Å; A245-W249 WeakPolarHBondContact O-CB 3.27Å; A245-W249 PolarHBondContact O-N 2.87Å
246	T	98.8	Very high	98.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-58.5	-51.4	173.3	-54.1	0	0	0	0	110.6	W152 L204 I217 H242 L243 E244 W249 F250 F270	W152-T246 WeakPolarHBondContact CZ2-OG1 3.42Å; L204-T246 HydrophobicContact CD2-CG2 4.34Å; I217-T246 HydrophobicContact CD1-CG2 4.23Å; H242-T246 PolarHBondContact O-N 2.84Å; H242-T246 PolarHBondContact O-OG1 2.92Å; L243-T246 VanDerWaalsContact O-CB 3.26Å; L243-T246 WeakPolarHBondContact O-CB 3.45Å; L243-T246 PolarHBondContact O-N 2.99Å; L243-T246 VanDerWaalsContact O-N 3.17Å; E244-T246 VanDerWaalsContact C-N 3.35Å; E244-T246 PolarHBondContact O-N 2.92Å; T246-W249 PolarHBondContact O-N 3.01Å; T246-F250 HydrophobicContact CG2-CD2 3.72Å; T246-F250 HydrophobicContact CG2-CE2 3.72Å; T246-F250 VanDerWaalsContact O-CD2 3.28Å; T246-F250 WeakPolarHBondContact O-CD2 3.38Å; T246-F250 PolarHBondContact O-N 3.39Å; T246-F270 HydrophobicContact CG2-CE1 4.26Å; T246-F270 HydrophobicContact CG2-CZ 3.98Å
247	V	98.8	Very high	97.9	Very high	14 Å²	14	49.2 Å²	49.2	9%	0.085	27%	0.266	C	S	.	.	H	α-helix	trans	-65.8	-41.3	-179	176.1	0	0	0	0	111	L204 L243 E244 R251 F264 F270	L204-V247 HydrophobicContact CD1-CG2 4.06Å; L204-V247 HydrophobicContact CD2-CG2 3.84Å; L243-V247 WeakPolarHBondContact O-CG2 3.47Å; L243-V247 PolarHBondContact O-N 3.06Å; E244-V247 PolarHBondContact O-N 3.33Å; V247-R251 VanDerWaalsContact O-CB 3.22Å; V247-R251 WeakPolarHBondContact O-CB 3.12Å; V247-R251 PolarHBondContact O-N 2.84Å; V247-F264 HydrophobicContact CG1-CD2 4.43Å; V247-F264 HydrophobicContact CG1-CE2 4.08Å; V247-F264 HydrophobicContact CG1-CZ 4.11Å; V247-F270 HydrophobicContact CG2-CE2 3.46Å; V247-F270 VanDerWaalsContact CG2-CE2 3.46Å; V247-F270 HydrophobicContact CG2-CZ 3.69Å
248	E	98.5	Very high	97.7	Very high	69 Å²	69	45.4 Å²	45.4	32%	0.322	27%	0.269	S	S	.	.	H	α-helix	trans	-63.5	-43.4	175.4	178.8	164	-154.6	0	0	112.6	E244 A245 R251 K252	E244-E248 PolarHBondContact O-N 2.82Å; A245-E248 PolarHBondContact O-N 3.36Å; E248-R251 PolarHBondContact O-N 2.84Å; E248-K252 HydrophobicContact CG-CD 3.98Å; E248-K252 WeakPolarHBondContact O-CB 3.46Å; E248-K252 PolarHBondContact O-N 3.18Å; E248-K252 VanDerWaalsContact O-N 3.12Å; E248-K252 IonicContact OE1-NZ 2.9Å; E248-K252 PolarHBondContact OE1-NZ 2.92Å
249	W	98.8	Very high	97.6	Very high	5 Å²	5	45.9 Å²	45.9	2%	0.019	26%	0.264	C	S	.	.	H	α-helix	trans	-60.2	-53.5	177.9	-168.9	101.7	0	0	0	110.6	V141 G149 Y150 I151 A245 T246 R251 K252 Y253	V141-W249 HydrophobicContact CG1-CH2 3.98Å; V141-W249 HydrophobicContact CG1-CZ2 3.68Å; G149-W249 PolarHBondContact O-NE1 3.46Å; Y150-W249 AromaticContact CD1-CH2 3.76Å; Y150-W249 HydrophobicContact CD1-CH2 3.76Å; Y150-W249 HydrophobicContact CD1-CZ2 4.02Å; Y150-W249 HydrophobicContact CD2-CZ2 4.3Å; Y150-W249 AromaticContact CE1-CH2 3.68Å; Y150-W249 HydrophobicContact CE1-CH2 3.68Å; Y150-W249 HydrophobicContact CE1-CZ2 4.32Å; Y150-W249 HydrophobicContact CE1-CZ3 4.48Å; Y150-W249 HydrophobicContact CE2-CH2 4.43Å; Y150-W249 HydrophobicContact CG-CH2 4.2Å; Y150-W249 HydrophobicContact CG-CZ2 4.02Å; I151-W249 HydrophobicContact CD1-CB 3.79Å; I151-W249 HydrophobicContact CD1-CG 4.01Å; I151-W249 HydrophobicContact CG1-CB 4.35Å; I151-W249 HydrophobicContact CG1-CG 4.06Å; A245-W249 VanDerWaalsContact O-CB 3.23Å; A245-W249 WeakPolarHBondContact O-CB 3.27Å; A245-W249 PolarHBondContact O-N 2.87Å; T246-W249 PolarHBondContact O-N 3.01Å; W249-R251 VanDerWaalsContact C-N 3.31Å; W249-R251 PolarHBondContact O-N 3.48Å; W249-K252 PolarHBondContact O-N 3.38Å; W249-K252 VanDerWaalsContact O-N 3.09Å; W249-Y253 HydrophobicContact CE3-CD1 4.49Å; W249-Y253 HydrophobicContact CE3-CG 4.27Å; W249-Y253 HydrophobicContact CH2-CD2 4.1Å; W249-Y253 HydrophobicContact CH2-CG 4.1Å; W249-Y253 HydrophobicContact CZ3-CD1 4.13Å; W249-Y253 HydrophobicContact CZ3-CD2 4.14Å; W249-Y253 AromaticContact CZ3-CG 3.77Å; W249-Y253 HydrophobicContact CZ3-CG 3.77Å; W249-Y253 WeakPolarHBondContact O-CB 3.45Å; W249-Y253 PolarHBondContact O-N 2.82Å
250	F	98.7	Very high	97.6	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.009	29%	0.285	C	S	.	.	H	α-helix	trans	-63.8	-33.2	179.4	-82.6	-55.4	0	0	0	113.4	Y154 L204 M206 K215 T246 K252 Y253 F264	Y154-F250 HydrophobicContact CE2-CE1 4.16Å; Y154-F250 AromaticContact CE2-CZ 3.87Å; Y154-F250 HydrophobicContact CE2-CZ 3.87Å; L204-F250 HydrophobicContact CD2-CD2 4.34Å; M206-F250 HydrophobicContact CE-CD1 3.95Å; M206-F250 HydrophobicContact SD-CB 3.57Å; M206-F250 VanDerWaalsContact SD-CB 3.57Å; M206-F250 HydrophobicContact SD-CD1 3.73Å; M206-F250 HydrophobicContact SD-CG 3.89Å; K215-F250 HydrophobicContact CB-CE2 4.1Å; K215-F250 HydrophobicContact CB-CZ 4.34Å; K215-F250 HydrophobicContact CD-CE1 3.97Å; K215-F250 HydrophobicContact CD-CE2 4.37Å; K215-F250 HydrophobicContact CD-CZ 3.81Å; K215-F250 HydrophobicContact CG-CD1 4.49Å; K215-F250 HydrophobicContact CG-CD2 4.21Å; K215-F250 HydrophobicContact CG-CE1 4.11Å; K215-F250 HydrophobicContact CG-CE2 3.79Å; K215-F250 HydrophobicContact CG-CZ 3.75Å; T246-F250 HydrophobicContact CG2-CD2 3.72Å; T246-F250 HydrophobicContact CG2-CE2 3.72Å; T246-F250 VanDerWaalsContact O-CD2 3.28Å; T246-F250 WeakPolarHBondContact O-CD2 3.38Å; T246-F250 PolarHBondContact O-N 3.39Å; F250-K252 VanDerWaalsContact C-N 3.31Å; F250-K252 PolarHBondContact O-N 2.77Å; F250-Y253 WeakPolarHBondContact O-CD1 3.46Å; F250-F264 HydrophobicContact CB-CE1 4Å; F250-F264 HydrophobicContact CB-CZ 3.85Å
251	R	98.5	Very high	97.5	Very high	78 Å²	78	47.9 Å²	47.9	29%	0.294	27%	0.273	S	S	.	.	H	α-helix	trans	-61.3	-41.1	173.1	-174.2	172.3	-65.8	110	1.3	111.5	V247 E248 W249 E261 N262 F264	V247-R251 VanDerWaalsContact O-CB 3.22Å; V247-R251 WeakPolarHBondContact O-CB 3.12Å; V247-R251 PolarHBondContact O-N 2.84Å; E248-R251 PolarHBondContact O-N 2.84Å; W249-R251 VanDerWaalsContact C-N 3.31Å; W249-R251 PolarHBondContact O-N 3.48Å; R251-E261 VanDerWaalsContact CD-OE2 3.31Å; R251-E261 WeakPolarHBondContact CD-OE2 3.24Å; R251-E261 HydrophobicContact CG-CB 3.77Å; R251-E261 HydrophobicContact CG-CG 4.01Å; R251-E261 CarbonylContact O-C 3.58Å; R251-E261 WeakPolarHBondContact O-CA 3.01Å; R251-E261 WeakPolarHBondContact O-CB 3.4Å; R251-N262 PolarHBondContact O-N 2.89Å; R251-F264 HydrophobicContact CB-CE2 3.88Å; R251-F264 HydrophobicContact CB-CZ 4.19Å; R251-F264 HydrophobicContact CG-CE2 4.39Å
252	K	98.3	Very high	97.5	Very high	61 Å²	61	46.3 Å²	46.3	27%	0.265	26%	0.255	S	S	.	.	H	α-helix	trans	-107.1	-14.6	-164.7	-64.7	179.3	-179.2	174.8	0	115.5	I144 E248 W249 F250 K254 V255 P256 E261	I144-K252 HydrophobicContact CD1-CB 3.79Å; I144-K252 WeakPolarHBondContact CD1-O 3.47Å; I144-K252 HydrophobicContact CG2-CB 4.43Å; E248-K252 HydrophobicContact CG-CD 3.98Å; E248-K252 WeakPolarHBondContact O-CB 3.46Å; E248-K252 PolarHBondContact O-N 3.18Å; E248-K252 VanDerWaalsContact O-N 3.12Å; E248-K252 IonicContact OE1-NZ 2.9Å; E248-K252 PolarHBondContact OE1-NZ 2.92Å; W249-K252 PolarHBondContact O-N 3.38Å; W249-K252 VanDerWaalsContact O-N 3.09Å; F250-K252 VanDerWaalsContact C-N 3.31Å; F250-K252 PolarHBondContact O-N 2.77Å; K252-K254 PolarHBondContact O-N 2.95Å; K252-V255 WeakPolarHBondContact O-CB 3.38Å; K252-V255 PolarHBondContact O-N 2.73Å; K252-P256 WeakPolarHBondContact O-CD 2.93Å; K252-E261 WeakPolarHBondContact CE-OE1 3.45Å
253	Y	97.8	Very high	97.5	Very high	23 Å²	23	51.5 Å²	51.5	9%	0.09	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-25.5	-165.9	86	-80.3	0	0	0	115.5	V141 M206 D208 W249 F250	V141-Y253 HydrophobicContact CG1-CD2 4.07Å; V141-Y253 HydrophobicContact CG2-CD2 4.32Å; M206-Y253 HydrophobicContact CE-CE1 4.33Å; D208-Y253 PolarHBondContact OD2-OH 2.89Å; W249-Y253 HydrophobicContact CE3-CD1 4.49Å; W249-Y253 HydrophobicContact CE3-CG 4.27Å; W249-Y253 HydrophobicContact CH2-CD2 4.1Å; W249-Y253 HydrophobicContact CH2-CG 4.1Å; W249-Y253 HydrophobicContact CZ3-CD1 4.13Å; W249-Y253 HydrophobicContact CZ3-CD2 4.14Å; W249-Y253 AromaticContact CZ3-CG 3.77Å; W249-Y253 HydrophobicContact CZ3-CG 3.77Å; W249-Y253 WeakPolarHBondContact O-CB 3.45Å; W249-Y253 PolarHBondContact O-N 2.82Å; F250-Y253 WeakPolarHBondContact O-CD1 3.46Å
254	K	96.3	Very high	97.5	Very high	3 Å²	3	52.6 Å²	52.6	1%	0.013	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-2.4	176.4	-57.2	178	-69.7	172	0	115.2	D208 E209 K252 P256 D257 G258 K259 N262	D208-K254 IonicContact OD1-NZ 3.69Å; D208-K254 PolarHBondContact OD1-NZ 2.79Å; D208-K254 VanDerWaalsContact OD2-CE 3.27Å; D208-K254 WeakPolarHBondContact OD2-CE 3.05Å; D208-K254 IonicContact OD2-NZ 3.62Å; D208-K254 PolarHBondContact OD2-NZ 2.81Å; E209-K254 IonicContact OE1-NZ 3.09Å; E209-K254 PolarHBondContact OE1-NZ 3.49Å; K252-K254 PolarHBondContact O-N 2.95Å; K254-P256 VanDerWaalsContact C-N 3.32Å; K254-D257 HydrophobicContact CB-CB 4.49Å; K254-D257 WeakPolarHBondContact O-CA 3.32Å; K254-D257 VanDerWaalsContact O-CB 3.25Å; K254-D257 WeakPolarHBondContact O-CB 3.4Å; K254-D257 PolarHBondContact O-N 2.64Å; K254-G258 PolarHBondContact O-N 2.85Å; K254-K259 HydrophobicContact CB-CB 3.71Å; K254-K259 HydrophobicContact CB-CG 4.03Å; K254-K259 WeakPolarHBondContact O-CB 3.47Å; K254-K259 PolarHBondContact O-N 3.44Å; K254-N262 WeakPolarHBondContact CE-OD1 3.24Å; K254-N262 PolarHBondContact NZ-OD1 2.8Å
255	V	97.5	Very high	97.5	Very high	65 Å²	65	47.9 Å²	47.9	39%	0.394	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-58.4	-39.9	175.2	175.9	0	0	0	0	111.6	K252 D257 G258 E261	K252-V255 WeakPolarHBondContact O-CB 3.38Å; K252-V255 PolarHBondContact O-N 2.73Å; V255-D257 PolarHBondContact O-N 2.72Å; V255-G258 PolarHBondContact O-N 3.09Å; V255-E261 HydrophobicContact CG2-CG 3.68Å
256	P	96.7	Very high	97.4	Very high	78 Å²	78	48.5 Å²	48.5	51%	0.506	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-63.7	-22.4	171.4	-25.8	38.3	0	0	0	115	A142 I144 K252 K254 G258	A142-P256 HydrophobicContact CB-CB 3.76Å; A142-P256 HydrophobicContact CB-CG 3.74Å; I144-P256 HydrophobicContact CD1-CG 4.07Å; I144-P256 HydrophobicContact CG1-CG 4.15Å; K252-P256 WeakPolarHBondContact O-CD 2.93Å; K254-P256 VanDerWaalsContact C-N 3.32Å; P256-G258 PolarHBondContact O-N 3.12Å
257	D	92.7	Very high	97.3	Very high	75 Å²	75	56.2 Å²	56.2	40%	0.401	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-78.6	-0.9	172.4	-88.4	11.7	0	0	0	112.4	K134 K254 V255 K259	K134-D257 IonicContact NZ-OD2 3.83Å; K134-D257 PolarHBondContact NZ-OD2 2.71Å; K254-D257 HydrophobicContact CB-CB 4.49Å; K254-D257 WeakPolarHBondContact O-CA 3.32Å; K254-D257 VanDerWaalsContact O-CB 3.25Å; K254-D257 WeakPolarHBondContact O-CB 3.4Å; K254-D257 PolarHBondContact O-N 2.64Å; V255-D257 PolarHBondContact O-N 2.72Å; D257-K259 HydrophobicContact CB-CG 4.46Å
258	G	94.4	Very high	97.2	Very high	71 Å²	71	56.1 Å²	56.1	73%	0.732	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.4	20.6	-174.7	0	0	0	0	0	114.2	K254 V255 P256	K254-G258 PolarHBondContact O-N 2.85Å; V255-G258 PolarHBondContact O-N 3.09Å; P256-G258 PolarHBondContact O-N 3.12Å
259	K	95.3	Very high	97.2	Very high	72 Å²	72	58.7 Å²	58.7	31%	0.313	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-90.6	157.9	172.9	-67.5	-69.5	-170.6	166.8	0	111	E209 K254 D257	E209-K259 WeakPolarHBondContact OE1-CD 3.23Å; E209-K259 VanDerWaalsContact OE1-CE 3.28Å; E209-K259 WeakPolarHBondContact OE1-CE 3.05Å; E209-K259 IonicContact OE1-NZ 2.95Å; E209-K259 VanDerWaalsContact OE2-CE 3.22Å; E209-K259 WeakPolarHBondContact OE2-CE 3.27Å; E209-K259 IonicContact OE2-NZ 2.81Å; E209-K259 PolarHBondContact OE2-NZ 3.36Å; K254-K259 HydrophobicContact CB-CB 3.71Å; K254-K259 HydrophobicContact CB-CG 4.03Å; K254-K259 WeakPolarHBondContact O-CB 3.47Å; K254-K259 PolarHBondContact O-N 3.44Å; D257-K259 HydrophobicContact CB-CG 4.46Å
260	P	96.9	Very high	97.2	Very high	93 Å²	93	59.3 Å²	59.3	60%	0.604	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-62.8	167.4	168.1	29.8	-36.6	0	0	0	111.4
261	E	97.9	Very high	97.2	Very high	97 Å²	97	61.9 Å²	61.9	45%	0.453	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-65.1	139.3	166.3	-71.7	-169.4	160.7	0	0	110.6	R251 K252 V255	R251-E261 VanDerWaalsContact CD-OE2 3.31Å; R251-E261 WeakPolarHBondContact CD-OE2 3.24Å; R251-E261 HydrophobicContact CG-CB 3.77Å; R251-E261 HydrophobicContact CG-CG 4.01Å; R251-E261 CarbonylContact O-C 3.58Å; R251-E261 WeakPolarHBondContact O-CA 3.01Å; R251-E261 WeakPolarHBondContact O-CB 3.4Å; K252-E261 WeakPolarHBondContact CE-OE1 3.45Å; V255-E261 HydrophobicContact CG2-CG 3.68Å
262	N	98.2	Very high	97.2	Very high	9 Å²	9	62.1 Å²	62.1	5%	0.048	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-70.7	151.9	173.9	-79.7	-3.2	0	0	0	111	M206 D208 R251 K254	M206-N262 HydrophobicContact CG-CB 4.14Å; M206-N262 HydrophobicContact SD-CB 4.05Å; M206-N262 PolarHBondContact SD-ND2 3.38Å; D208-N262 PolarHBondContact OD2-ND2 2.91Å; R251-N262 PolarHBondContact O-N 2.89Å; K254-N262 WeakPolarHBondContact CE-OD1 3.24Å; K254-N262 PolarHBondContact NZ-OD1 2.8Å
263	Q	98	Very high	97.2	Very high	141 Å²	141	62.5 Å²	62.5	66%	0.659	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.2	174.5	177.8	-60.6	-176.1	20.9	0	0	110.6	I207	I207-Q263 HydrophobicContact CB-CB 4.22Å; I207-Q263 HydrophobicContact CD1-CB 4.36Å; I207-Q263 PolarHBondContact N-O 2.94Å; I207-Q263 PolarHBondContact O-N 3.39Å
264	F	98.5	Very high	97.2	Very high	25 Å²	25	66.2 Å²	66.2	11%	0.11	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	140	-178.2	-59.4	-91.2	0	0	0	111.2	L204 A205 M206 V247 F250 R251	L204-F264 HydrophobicContact CD1-CD1 3.91Å; L204-F264 HydrophobicContact CD1-CE1 4.44Å; L204-F264 HydrophobicContact CD2-CD1 4Å; L204-F264 HydrophobicContact CD2-CE1 3.71Å; L204-F264 HydrophobicContact CG-CD1 3.91Å; L204-F264 HydrophobicContact CG-CE1 4.14Å; A205-F264 CarbonylContact O-C 3.56Å; A205-F264 WeakPolarHBondContact O-CA 3.45Å; A205-F264 VanDerWaalsContact O-CB 3.28Å; A205-F264 WeakPolarHBondContact O-CB 3.31Å; A205-F264 WeakPolarHBondContact O-CD1 3.34Å; M206-F264 HydrophobicContact CB-CD1 4.08Å; M206-F264 HydrophobicContact CB-CE1 3.99Å; M206-F264 HydrophobicContact CG-CD1 4.27Å; M206-F264 HydrophobicContact CG-CE1 3.91Å; M206-F264 HydrophobicContact CG-CZ 4.44Å; M206-F264 HydrophobicContact SD-CE1 4.3Å; V247-F264 HydrophobicContact CG1-CD2 4.43Å; V247-F264 HydrophobicContact CG1-CE2 4.08Å; V247-F264 HydrophobicContact CG1-CZ 4.11Å; F250-F264 HydrophobicContact CB-CE1 4Å; F250-F264 HydrophobicContact CB-CZ 3.85Å; R251-F264 HydrophobicContact CB-CE2 3.88Å; R251-F264 HydrophobicContact CB-CZ 4.19Å; R251-F264 HydrophobicContact CG-CE2 4.39Å
265	G	98	Very high	97.3	Very high	5 Å²	5	69.1 Å²	69.1	5%	0.052	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-66.5	164.5	164.3	0	0	0	0	0	111.2	A205 N267 G268	A205-G265 PolarHBondContact O-N 3.44Å; G265-N267 PolarHBondContact O-N 3.49Å; G265-G268 PolarHBondContact O-N 2.7Å
266	F	97.8	Very high	97.4	Very high	33 Å²	33	66 Å²	66	15%	0.145	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	50.4	32.2	-178.3	-49	-67.5	0	0	0	114.3	E170 A205 W214 G268 E269 K271 F275	E170-F266 HydrophobicContact CB-CE1 4.01Å; E170-F266 HydrophobicContact CB-CE2 4.26Å; E170-F266 HydrophobicContact CB-CZ 3.76Å; E170-F266 HydrophobicContact CG-CD1 3.79Å; E170-F266 HydrophobicContact CG-CD2 4.07Å; E170-F266 HydrophobicContact CG-CE1 3.57Å; E170-F266 HydrophobicContact CG-CE2 3.88Å; E170-F266 HydrophobicContact CG-CG 4.04Å; E170-F266 HydrophobicContact CG-CZ 3.62Å; E170-F266 WeakPolarHBondContact OE1-CA 3.33Å; E170-F266 VanDerWaalsContact OE1-CD1 3.27Å; E170-F266 WeakPolarHBondContact OE1-CD1 3.28Å; E170-F266 PolarHBondContact OE1-N 3.26Å; E170-F266 WeakPolarHBondContact OE2-CD1 3.37Å; E170-F266 WeakPolarHBondContact OE2-CE1 3.31Å; A205-F266 HydrophobicContact CB-CD2 4.16Å; A205-F266 HydrophobicContact CB-CE2 4.43Å; W214-F266 AromaticContact CH2-CE2 3.92Å; W214-F266 HydrophobicContact CH2-CE2 3.92Å; W214-F266 HydrophobicContact CZ3-CE2 4.21Å; F266-G268 PolarHBondContact O-N 2.94Å; F266-G268 VanDerWaalsContact O-N 3.11Å; F266-E269 HydrophobicContact CB-CB 4.36Å; F266-E269 WeakPolarHBondContact O-CB 3.48Å; F266-E269 WeakPolarHBondContact O-CG 3.12Å; F266-E269 PolarHBondContact O-N 3.17Å; F266-K271 HydrophobicContact CB-CD 4.35Å; F266-K271 HydrophobicContact CD1-CD 4.25Å; F266-K271 HydrophobicContact CD2-CD 3.55Å; F266-K271 HydrophobicContact CD2-CG 3.75Å; F266-K271 HydrophobicContact CE1-CD 4.45Å; F266-K271 HydrophobicContact CE2-CD 3.75Å; F266-K271 HydrophobicContact CE2-CG 3.67Å; F266-K271 HydrophobicContact CG-CD 3.8Å; F266-K271 HydrophobicContact CZ-CD 4.22Å; F266-K271 HydrophobicContact CZ-CG 4.4Å; F266-F275 HydrophobicContact CE2-CE1 4.19Å; F266-F275 AromaticContact CE2-CZ 3.89Å; F266-F275 HydrophobicContact CE2-CZ 3.89Å; F266-F275 HydrophobicContact CZ-CE1 4.43Å; F266-F275 HydrophobicContact CZ-CE2 4.15Å; F266-F275 AromaticContact CZ-CZ 3.68Å; F266-F275 HydrophobicContact CZ-CZ 3.68Å
267	N	96.3	Very high	97.5	Very high	161 Å²	161	63.4 Å²	63.4	86%	0.861	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	55.6	21.2	-172.9	-57.1	-45.5	0	0	0	115.1	G265	G265-N267 PolarHBondContact O-N 3.49Å
268	G	96.9	Very high	97.7	Very high	12 Å²	12	65 Å²	65	12%	0.124	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	81.7	14.1	-174.5	0	0	0	0	0	114.7	G265 F266	G265-G268 PolarHBondContact O-N 2.7Å; F266-G268 PolarHBondContact O-N 2.94Å; F266-G268 VanDerWaalsContact O-N 3.11Å
269	E	98.3	Very high	97.9	Very high	123 Å²	123	62.8 Å²	62.8	58%	0.575	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-72.8	133.2	170.3	-67.9	-175.2	177.7	0	0	111.5	F266	F266-E269 HydrophobicContact CB-CB 4.36Å; F266-E269 WeakPolarHBondContact O-CB 3.48Å; F266-E269 WeakPolarHBondContact O-CG 3.12Å; F266-E269 PolarHBondContact O-N 3.17Å
270	F	98.8	Very high	98.1	Very high	18 Å²	18	59.4 Å²	59.4	8%	0.079	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-70.8	130.7	169.4	-65.8	-97.4	0	0	0	110.6	I203 L204 I217 I232 L243 T246 V247	I203-F270 CarbonylContact O-C 3.41Å; I203-F270 VanDerWaalsContact O-CA 3.31Å; I203-F270 WeakPolarHBondContact O-CA 3.48Å; L204-F270 HydrophobicContact CB-CD1 3.85Å; L204-F270 HydrophobicContact CB-CE1 3.66Å; L204-F270 HydrophobicContact CB-CZ 4.33Å; L204-F270 HydrophobicContact CD1-CE1 4.42Å; L204-F270 HydrophobicContact CD1-CE2 4.46Å; L204-F270 HydrophobicContact CD1-CZ 4.35Å; L204-F270 HydrophobicContact CD2-CE1 4.07Å; L204-F270 HydrophobicContact CD2-CZ 3.96Å; L204-F270 HydrophobicContact CG-CE1 4.27Å; L204-F270 HydrophobicContact CG-CZ 4.46Å; I217-F270 HydrophobicContact CD1-CE1 3.88Å; I217-F270 HydrophobicContact CG1-CD1 3.75Å; I217-F270 HydrophobicContact CG1-CE1 3.57Å; I232-F270 HydrophobicContact CD1-CB 4.1Å; I232-F270 HydrophobicContact CD1-CD1 4.02Å; I232-F270 HydrophobicContact CD1-CG 4.15Å; I232-F270 HydrophobicContact CG1-CB 3.69Å; I232-F270 HydrophobicContact CG1-CG 4.2Å; L243-F270 HydrophobicContact CB-CD2 4.07Å; L243-F270 HydrophobicContact CB-CE2 3.56Å; L243-F270 HydrophobicContact CB-CZ 3.98Å; L243-F270 HydrophobicContact CD1-CD2 3.99Å; L243-F270 HydrophobicContact CD1-CE2 4.28Å; L243-F270 HydrophobicContact CD1-CG 4.24Å; L243-F270 HydrophobicContact CD2-CD1 4.38Å; L243-F270 HydrophobicContact CD2-CE1 4.04Å; L243-F270 HydrophobicContact CD2-CE2 4.27Å; L243-F270 HydrophobicContact CD2-CZ 3.99Å; L243-F270 HydrophobicContact CG-CD2 4.45Å; L243-F270 HydrophobicContact CG-CE2 4.25Å; L243-F270 HydrophobicContact CG-CZ 4.45Å; T246-F270 HydrophobicContact CG2-CE1 4.26Å; T246-F270 HydrophobicContact CG2-CZ 3.98Å; V247-F270 HydrophobicContact CG2-CE2 3.46Å; V247-F270 VanDerWaalsContact CG2-CE2 3.46Å; V247-F270 HydrophobicContact CG2-CZ 3.69Å
271	K	98.7	Very high	98.2	Very high	56 Å²	56	59.4 Å²	59.4	24%	0.243	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	157.5	169.3	-47.3	-55.6	-68.4	-167.9	0	110.2	G202 I203 F266 F275	G202-K271 CarbonylContact C-O 3.5Å; G202-K271 WeakPolarHBondContact CA-O 3.28Å; I203-K271 HydrophobicContact CG2-CB 3.89Å; I203-K271 HydrophobicContact CG2-CG 4.45Å; I203-K271 PolarHBondContact N-O 3.43Å; I203-K271 PolarHBondContact O-N 2.96Å; F266-K271 HydrophobicContact CB-CD 4.35Å; F266-K271 HydrophobicContact CD1-CD 4.25Å; F266-K271 HydrophobicContact CD2-CD 3.55Å; F266-K271 HydrophobicContact CD2-CG 3.75Å; F266-K271 HydrophobicContact CE1-CD 4.45Å; F266-K271 HydrophobicContact CE2-CD 3.75Å; F266-K271 HydrophobicContact CE2-CG 3.67Å; F266-K271 HydrophobicContact CG-CD 3.8Å; F266-K271 HydrophobicContact CZ-CD 4.22Å; F266-K271 HydrophobicContact CZ-CG 4.4Å; K271-F275 HydrophobicContact CB-CB 3.84Å; K271-F275 HydrophobicContact CB-CD1 3.47Å; K271-F275 VanDerWaalsContact CB-CD1 3.47Å; K271-F275 HydrophobicContact CB-CD2 4.49Å; K271-F275 HydrophobicContact CB-CE1 4.17Å; K271-F275 HydrophobicContact CB-CG 3.68Å; K271-F275 HydrophobicContact CG-CD1 3.7Å; K271-F275 HydrophobicContact CG-CE1 3.86Å; K271-F275 HydrophobicContact CG-CG 4.09Å; K271-F275 HydrophobicContact CG-CZ 4.36Å
272	D	98.6	Very high	98.2	Very high	83 Å²	83	56.6 Å²	56.6	44%	0.444	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	176.6	-177.3	63.8	45.4	0	0	0	113.3	D274 F275 A276	D272-D274 VanDerWaalsContact C-N 3.29Å; D272-D274 PolarHBondContact O-N 2.91Å; D272-D274 PolarHBondContact OD1-N 3.03Å; D272-F275 PolarHBondContact OD1-N 3.33Å; D272-A276 WeakPolarHBondContact O-CB 3.21Å; D272-A276 PolarHBondContact O-N 3.06Å
273	K	97.9	Very high	98.2	Very high	70 Å²	70	56.3 Å²	56.3	30%	0.304	28%	0.28	S	S	.	.	H	α-helix	trans	-58.5	-37.1	179.1	166.1	175.6	155.4	-71.6	0	112.9	V200 L201 N230 A276 V277	V200-K273 WeakPolarHBondContact O-CD 3.45Å; L201-K273 PolarHBondContact O-N 2.93Å; N230-K273 WeakPolarHBondContact O-CD 3.49Å; K273-A276 PolarHBondContact O-N 2.88Å; K273-V277 VanDerWaalsContact O-CG2 3.27Å; K273-V277 WeakPolarHBondContact O-CG2 3.26Å; K273-V277 PolarHBondContact O-N 2.89Å
274	D	97.9	Very high	98.2	Very high	100 Å²	100	51.5 Å²	51.5	54%	0.535	26%	0.257	S	S	.	.	H	α-helix	trans	-78.4	-39.9	-172.9	-66.6	-11.9	0	0	0	109.8	D272 A276 V277 E278	D272-D274 VanDerWaalsContact C-N 3.29Å; D272-D274 PolarHBondContact O-N 2.91Å; D272-D274 PolarHBondContact OD1-N 3.03Å; D274-A276 PolarHBondContact O-N 3.08Å; D274-V277 PolarHBondContact O-N 3.06Å; D274-E278 PolarHBondContact O-N 2.81Å; D274-E278 VanDerWaalsContact O-N 3.08Å
275	F	98.5	Very high	98.2	Very high	65 Å²	65	55.4 Å²	55.4	29%	0.285	28%	0.276	S	S	.	.	H	α-helix	trans	-58	-46.3	167.5	-171.5	-80.3	0	0	0	111.7	I203 W214 F266 K271 D272 V277 E278 I279	I203-F275 HydrophobicContact CG2-CD1 3.79Å; I203-F275 HydrophobicContact CG2-CE1 4.32Å; W214-F275 AromaticContact CH2-CE1 3.73Å; W214-F275 HydrophobicContact CH2-CE1 3.73Å; W214-F275 HydrophobicContact CH2-CZ 4.1Å; W214-F275 AromaticContact CZ3-CE1 3.85Å; W214-F275 HydrophobicContact CZ3-CE1 3.85Å; F266-F275 HydrophobicContact CE2-CE1 4.19Å; F266-F275 AromaticContact CE2-CZ 3.89Å; F266-F275 HydrophobicContact CE2-CZ 3.89Å; F266-F275 HydrophobicContact CZ-CE1 4.43Å; F266-F275 HydrophobicContact CZ-CE2 4.15Å; F266-F275 AromaticContact CZ-CZ 3.68Å; F266-F275 HydrophobicContact CZ-CZ 3.68Å; K271-F275 HydrophobicContact CB-CB 3.84Å; K271-F275 HydrophobicContact CB-CD1 3.47Å; K271-F275 VanDerWaalsContact CB-CD1 3.47Å; K271-F275 HydrophobicContact CB-CD2 4.49Å; K271-F275 HydrophobicContact CB-CE1 4.17Å; K271-F275 HydrophobicContact CB-CG 3.68Å; K271-F275 HydrophobicContact CG-CD1 3.7Å; K271-F275 HydrophobicContact CG-CE1 3.86Å; K271-F275 HydrophobicContact CG-CG 4.09Å; K271-F275 HydrophobicContact CG-CZ 4.36Å; D272-F275 PolarHBondContact OD1-N 3.33Å; F275-V277 VanDerWaalsContact C-N 3.29Å; F275-V277 PolarHBondContact O-N 2.7Å; F275-E278 PolarHBondContact O-N 2.66Å; F275-E278 VanDerWaalsContact O-N 3.15Å; F275-I279 HydrophobicContact CD1-CG1 3.92Å; F275-I279 HydrophobicContact CE1-CD1 3.82Å; F275-I279 HydrophobicContact CE1-CG1 3.56Å; F275-I279 HydrophobicContact CZ-CD1 4.12Å; F275-I279 HydrophobicContact CZ-CG1 4.34Å; F275-I279 PolarHBondContact O-N 2.9Å; F275-I279 VanDerWaalsContact O-N 3.09Å
276	A	98.7	Very high	98.2	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-57.6	-41.2	176.8	0	0	0	0	0	112.6	V200 I203 D272 K273 D274 I279 I280	V200-A276 HydrophobicContact CG1-CB 3.59Å; I203-A276 HydrophobicContact CB-CB 3.65Å; I203-A276 HydrophobicContact CD1-CB 4.45Å; I203-A276 HydrophobicContact CG2-CB 3.75Å; D272-A276 WeakPolarHBondContact O-CB 3.21Å; D272-A276 PolarHBondContact O-N 3.06Å; K273-A276 PolarHBondContact O-N 2.88Å; D274-A276 PolarHBondContact O-N 3.08Å; A276-I279 PolarHBondContact O-N 2.73Å; A276-I280 WeakPolarHBondContact O-CD1 3.21Å; A276-I280 VanDerWaalsContact O-CG1 3.24Å; A276-I280 WeakPolarHBondContact O-CG1 3.13Å; A276-I280 PolarHBondContact O-N 2.99Å
277	V	98.4	Very high	98.2	Very high	22 Å²	22	56.1 Å²	56.1	13%	0.133	28%	0.277	C	S	.	.	H	α-helix	trans	-66.5	-36.1	177	165.9	0	0	0	0	112.2	K273 D274 F275 K281	K273-V277 VanDerWaalsContact O-CG2 3.27Å; K273-V277 WeakPolarHBondContact O-CG2 3.26Å; K273-V277 PolarHBondContact O-N 2.89Å; D274-V277 PolarHBondContact O-N 3.06Å; F275-V277 VanDerWaalsContact C-N 3.29Å; F275-V277 PolarHBondContact O-N 2.7Å; V277-K281 HydrophobicContact CG1-CD 4.32Å; V277-K281 VanDerWaalsContact O-CG 3.28Å; V277-K281 WeakPolarHBondContact O-CG 3.22Å; V277-K281 PolarHBondContact O-N 3.33Å
278	E	98.4	Very high	98.3	Very high	109 Å²	109	53.2 Å²	53.2	51%	0.509	25%	0.254	S	S	.	.	H	α-helix	trans	-67.9	-38.9	174	-63.1	-48.3	120.1	0	0	112.6	D274 F275 K281 S282	D274-E278 PolarHBondContact O-N 2.81Å; D274-E278 VanDerWaalsContact O-N 3.08Å; F275-E278 PolarHBondContact O-N 2.66Å; F275-E278 VanDerWaalsContact O-N 3.15Å; E278-K281 PolarHBondContact O-N 3.35Å; E278-K281 IonicContact OE1-NZ 2.69Å; E278-K281 PolarHBondContact OE1-NZ 2.73Å; E278-K281 IonicContact OE2-NZ 3.88Å; E278-S282 PolarHBondContact O-N 2.67Å
279	I	98.7	Very high	98.2	Very high	24 Å²	24	53.4 Å²	53.4	12%	0.123	26%	0.255	C	S	.	.	H	α-helix	trans	-62.5	-47.1	173.2	-60.2	-59.8	0	0	0	110.8	I180 I203 W214 F275 A276 K281 S282 T283	I180-I279 HydrophobicContact CD1-CG2 3.72Å; I203-I279 HydrophobicContact CD1-CB 3.95Å; I203-I279 HydrophobicContact CD1-CG1 4.29Å; I203-I279 HydrophobicContact CD1-CG2 3.87Å; W214-I279 HydrophobicContact CB-CG2 4.42Å; W214-I279 HydrophobicContact CD2-CG1 4.48Å; W214-I279 HydrophobicContact CD2-CG2 3.91Å; W214-I279 HydrophobicContact CG-CG2 3.8Å; W214-I279 HydrophobicContact CH2-CD1 4.17Å; W214-I279 HydrophobicContact CH2-CG1 4.41Å; W214-I279 HydrophobicContact CZ2-CD1 3.79Å; W214-I279 HydrophobicContact CZ2-CG1 4.31Å; F275-I279 HydrophobicContact CD1-CG1 3.92Å; F275-I279 HydrophobicContact CE1-CD1 3.82Å; F275-I279 HydrophobicContact CE1-CG1 3.56Å; F275-I279 HydrophobicContact CZ-CD1 4.12Å; F275-I279 HydrophobicContact CZ-CG1 4.34Å; F275-I279 PolarHBondContact O-N 2.9Å; F275-I279 VanDerWaalsContact O-N 3.09Å; A276-I279 PolarHBondContact O-N 2.73Å; I279-K281 VanDerWaalsContact C-N 3.29Å; I279-K281 PolarHBondContact O-N 3.11Å; I279-S282 WeakPolarHBondContact O-CB 3.2Å; I279-S282 PolarHBondContact O-N 3.07Å; I279-T283 PolarHBondContact O-N 2.68Å; I279-T283 PolarHBondContact O-OG1 3.29Å
280	I	98.8	Very high	98	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-59.9	-37.4	177.5	-67.6	162.7	0	0	0	111.8	L81 Y104 L157 I180 V200 V216 A276 T283 H284	L81-I280 HydrophobicContact CD1-CG2 4.15Å; L81-I280 HydrophobicContact CD2-CG2 4.12Å; Y104-I280 HydrophobicContact CD1-CG2 4.29Å; Y104-I280 HydrophobicContact CE1-CG2 3.82Å; L157-I280 HydrophobicContact CD1-CB 4.48Å; L157-I280 HydrophobicContact CD1-CD1 3.75Å; L157-I280 HydrophobicContact CD1-CG1 3.84Å; L157-I280 HydrophobicContact CD1-CG2 3.78Å; I180-I280 HydrophobicContact CD1-CG1 4.13Å; I180-I280 HydrophobicContact CG2-CG1 4.48Å; V200-I280 HydrophobicContact CG1-CD1 4.31Å; V200-I280 HydrophobicContact CG2-CD1 3.73Å; V216-I280 HydrophobicContact CG1-CD1 4.15Å; V216-I280 HydrophobicContact CG2-CD1 4.03Å; V216-I280 HydrophobicContact CG2-CG1 4.1Å; A276-I280 WeakPolarHBondContact O-CD1 3.21Å; A276-I280 VanDerWaalsContact O-CG1 3.24Å; A276-I280 WeakPolarHBondContact O-CG1 3.13Å; A276-I280 PolarHBondContact O-N 2.99Å; I280-T283 PolarHBondContact O-OG1 2.92Å; I280-H284 VanDerWaalsContact O-CB 3.31Å; I280-H284 WeakPolarHBondContact O-CB 3.34Å; I280-H284 PolarHBondContact O-N 3.49Å
281	K	98.5	Very high	97.7	Very high	93 Å²	93	49 Å²	49	40%	0.404	24%	0.238	S	C	.	.	H	α-helix	trans	-64.9	-42	172.9	-74.5	167.3	-177.8	171	0	111.8	V277 E278 I279 H284 E285	V277-K281 HydrophobicContact CG1-CD 4.32Å; V277-K281 VanDerWaalsContact O-CG 3.28Å; V277-K281 WeakPolarHBondContact O-CG 3.22Å; V277-K281 PolarHBondContact O-N 3.33Å; E278-K281 PolarHBondContact O-N 3.35Å; E278-K281 IonicContact OE1-NZ 2.69Å; E278-K281 PolarHBondContact OE1-NZ 2.73Å; E278-K281 IonicContact OE2-NZ 3.88Å; I279-K281 VanDerWaalsContact C-N 3.29Å; I279-K281 PolarHBondContact O-N 3.11Å; K281-H284 PolarHBondContact O-N 3.17Å; K281-E285 WeakPolarHBondContact O-CG 3.5Å; K281-E285 PolarHBondContact O-N 3.03Å
282	S	98.4	Very high	97.4	Very high	38 Å²	38	52 Å²	52	27%	0.266	25%	0.252	S	S	.	.	H	α-helix	trans	-63.9	-46	179	-161.5	0	0	0	0	111.5	E278 I279 H284 E285 H286	E278-S282 PolarHBondContact O-N 2.67Å; I279-S282 WeakPolarHBondContact O-CB 3.2Å; I279-S282 PolarHBondContact O-N 3.07Å; S282-H284 VanDerWaalsContact C-N 3.32Å; S282-H284 PolarHBondContact O-N 3.5Å; S282-E285 WeakPolarHBondContact O-CA 3.05Å; S282-E285 WeakPolarHBondContact O-CB 3.43Å; S282-E285 PolarHBondContact O-N 2.76Å; S282-E285 VanDerWaalsContact O-N 3.09Å; S282-H286 VanDerWaalsContact O-CG 3.27Å; S282-H286 PolarHBondContact O-N 3.23Å; S282-H286 PolarHBondContact O-ND1 3.29Å
283	T	98.6	Very high	96.8	Very high	4 Å²	4	54.9 Å²	54.9	3%	0.025	26%	0.261	C	S	.	.	H	α-helix	trans	-69	-30.5	176.8	60	0	0	0	0	111.9	T160 W161 E162 I180 I279 I280 W287	T160-T283 WeakPolarHBondContact CB-OG1 3.47Å; W161-T283 PolarHBondContact N-O 2.59Å; W161-T283 WeakPolarHBondContact O-CA 3.43Å; W161-T283 WeakPolarHBondContact O-CB 3.45Å; E162-T283 HydrophobicContact CG-CG2 4.29Å; I180-T283 HydrophobicContact CD1-CG2 4.19Å; I279-T283 PolarHBondContact O-N 2.68Å; I279-T283 PolarHBondContact O-OG1 3.29Å; I280-T283 PolarHBondContact O-OG1 2.92Å; T283-W287 WeakPolarHBondContact O-CB 3.43Å; T283-W287 PolarHBondContact O-N 3.4Å
284	H	98.6	Very high	96	Very high	39 Å²	39	58 Å²	58	18%	0.181	28%	0.277	C	S	.	.	H	α-helix	trans	-66.7	-34.5	167.9	-174.4	61.4	0	0	0	113	L81 Q159 I280 K281 S282 W287 R288	L81-H284 HydrophobicContact CD2-CB 3.63Å; Q159-H284 WeakPolarHBondContact O-CA 3.5Å; Q159-H284 PolarHBondContact O-ND1 3.08Å; I280-H284 VanDerWaalsContact O-CB 3.31Å; I280-H284 WeakPolarHBondContact O-CB 3.34Å; I280-H284 PolarHBondContact O-N 3.49Å; K281-H284 PolarHBondContact O-N 3.17Å; S282-H284 VanDerWaalsContact C-N 3.32Å; S282-H284 PolarHBondContact O-N 3.5Å; H284-W287 AromaticContact CE1-CE3 3.79Å; H284-W287 AromaticContact CE1-CZ3 3.81Å; H284-W287 AromaticContact ND1-CE3 3.83Å; H284-R288 WeakPolarHBondContact O-CB 3.22Å; H284-R288 VanDerWaalsContact O-CG 3.31Å; H284-R288 WeakPolarHBondContact O-CG 3.5Å; H284-R288 PolarHBondContact O-N 3.5Å
285	E	98.3	Very high	95.1	Very high	107 Å²	107	55.4 Å²	55.4	50%	0.5	27%	0.265	S	S	.	.	H	α-helix	trans	-66.8	-43.2	173.6	-82.3	175.3	-177.3	0	0	112.3	K281 S282 R288 A289	K281-E285 WeakPolarHBondContact O-CG 3.5Å; K281-E285 PolarHBondContact O-N 3.03Å; S282-E285 WeakPolarHBondContact O-CA 3.05Å; S282-E285 WeakPolarHBondContact O-CB 3.43Å; S282-E285 PolarHBondContact O-N 2.76Å; S282-E285 VanDerWaalsContact O-N 3.09Å; E285-R288 PolarHBondContact O-N 2.95Å; E285-R288 IonicContact OE1-NH2 3.67Å; E285-R288 PolarHBondContact OE1-NH2 3.49Å; E285-R288 VanDerWaalsContact OE1-NH2 3.09Å; E285-A289 PolarHBondContact O-N 2.65Å
286	H	97.8	Very high	94.2	Very high	29 Å²	29	58 Å²	58	13%	0.134	28%	0.282	C	S	.	.	H	α-helix	trans	-59.9	-47.1	171.9	-61	160.1	0	0	0	111.7	W161 D163 H166 S282 R288 A289 L290	W161-H286 HydrophobicContact CE3-CB 4.03Å; W161-H286 WeakPolarHBondContact O-CB 3.36Å; D163-H286 HydrophobicContact CB-CB 4.03Å; H166-H286 AromaticContact CD2-CE1 3.9Å; H166-H286 AromaticContact CE1-CE1 3.8Å; H166-H286 AromaticContact CE1-NE2 3.62Å; H166-H286 AromaticContact CG-CE1 3.43Å; H166-H286 VanDerWaalsContact CG-CE1 3.43Å; H166-H286 AromaticContact CG-NE2 3.67Å; H166-H286 AromaticContact ND1-CE1 3.37Å; H166-H286 PolarHBondContact ND1-CE1 3.24Å; H166-H286 AromaticContact ND1-NE2 3.12Å; H166-H286 PolarHBondContact ND1-NE2 3.02Å; H166-H286 VanDerWaalsContact ND1-NE2 3.12Å; S282-H286 VanDerWaalsContact O-CG 3.27Å; S282-H286 PolarHBondContact O-N 3.23Å; S282-H286 PolarHBondContact O-ND1 3.29Å; H286-R288 VanDerWaalsContact C-N 3.34Å; H286-R288 PolarHBondContact O-N 2.86Å; H286-A289 PolarHBondContact O-N 3.05Å; H286-L290 WeakPolarHBondContact O-CB 3.49Å; H286-L290 PolarHBondContact O-N 3.38Å
287	W	98	Very high	93.1	Very high	24 Å²	24	58.9 Å²	58.9	9%	0.091	29%	0.289	C	S	.	.	H	α-helix	trans	-60.5	-40.7	174.8	173.6	90.2	0	0	0	112.6	F76 H77 Q159 W161 T283 H284 A289 L290 V291	F76-W287 AromaticContact CE2-CD1 3.56Å; F76-W287 AromaticContact CE2-NE1 3.98Å; H77-W287 HydrophobicContact CB-CZ2 4.25Å; H77-W287 AromaticContact CE1-NE1 3.82Å; H77-W287 AromaticContact ND1-CE2 3.89Å; H77-W287 AromaticContact ND1-NE1 3.08Å; H77-W287 PolarHBondContact ND1-NE1 2.58Å; Q159-W287 HydrophobicContact CB-CD2 3.69Å; Q159-W287 HydrophobicContact CB-CE3 3.71Å; Q159-W287 HydrophobicContact CB-CG 4.37Å; Q159-W287 HydrophobicContact CB-CH2 3.88Å; Q159-W287 HydrophobicContact CB-CZ2 3.84Å; Q159-W287 HydrophobicContact CB-CZ3 3.81Å; Q159-W287 HydrophobicContact CG-CD2 4.34Å; Q159-W287 HydrophobicContact CG-CE3 4.4Å; Q159-W287 HydrophobicContact CG-CH2 3.64Å; Q159-W287 HydrophobicContact CG-CZ2 3.52Å; Q159-W287 HydrophobicContact CG-CZ3 4.08Å; Q159-W287 WeakPolarHBondContact O-CB 3.44Å; W161-W287 HydrophobicContact CB-CB 3.9Å; T283-W287 WeakPolarHBondContact O-CB 3.43Å; T283-W287 PolarHBondContact O-N 3.4Å; H284-W287 AromaticContact CE1-CE3 3.79Å; H284-W287 AromaticContact CE1-CZ3 3.81Å; H284-W287 AromaticContact ND1-CE3 3.83Å; W287-A289 VanDerWaalsContact C-N 3.32Å; W287-A289 PolarHBondContact O-N 2.87Å; W287-L290 WeakPolarHBondContact O-CB 3.04Å; W287-L290 PolarHBondContact O-N 3.22Å; W287-V291 HydrophobicContact CD2-CG1 4.25Å; W287-V291 HydrophobicContact CD2-CG2 4.48Å; W287-V291 HydrophobicContact CE3-CG2 4.43Å; W287-V291 HydrophobicContact CH2-CG2 4.07Å; W287-V291 HydrophobicContact CZ2-CG1 3.78Å; W287-V291 HydrophobicContact CZ2-CG2 4.13Å; W287-V291 HydrophobicContact CZ3-CG2 4.23Å; W287-V291 WeakPolarHBondContact O-CG2 3.45Å; W287-V291 PolarHBondContact O-N 3.49Å
288	R	97.1	Very high	92	Very high	100 Å²	100	59.3 Å²	59.3	38%	0.377	30%	0.298	S	S	.	.	H	α-helix	trans	-61.4	-41.5	175.4	-78.6	-171.7	-68.7	169.9	-4.2	111.3	H284 E285 H286 Q292	H284-R288 WeakPolarHBondContact O-CB 3.22Å; H284-R288 VanDerWaalsContact O-CG 3.31Å; H284-R288 WeakPolarHBondContact O-CG 3.5Å; H284-R288 PolarHBondContact O-N 3.5Å; E285-R288 PolarHBondContact O-N 2.95Å; E285-R288 IonicContact OE1-NH2 3.67Å; E285-R288 PolarHBondContact OE1-NH2 3.49Å; E285-R288 VanDerWaalsContact OE1-NH2 3.09Å; H286-R288 VanDerWaalsContact C-N 3.34Å; H286-R288 PolarHBondContact O-N 2.86Å; R288-Q292 VanDerWaalsContact O-CB 3.26Å; R288-Q292 WeakPolarHBondContact O-CB 3.39Å; R288-Q292 WeakPolarHBondContact O-CG 3.17Å; R288-Q292 PolarHBondContact O-N 3.06Å; R288-Q292 VanDerWaalsContact O-N 3.11Å
289	A	95.7	Very high	91.1	Very high	17 Å²	17	56.4 Å²	56.4	14%	0.14	30%	0.297	C	S	.	.	H	α-helix	trans	-66	-40.3	176	0	0	0	0	0	112.2	E285 H286 W287 Q292 K293 Q294 T295	E285-A289 PolarHBondContact O-N 2.65Å; H286-A289 PolarHBondContact O-N 3.05Å; W287-A289 VanDerWaalsContact C-N 3.32Å; W287-A289 PolarHBondContact O-N 2.87Å; A289-Q292 CarbonylContact O-C 3.56Å; A289-Q292 PolarHBondContact O-N 3.15Å; A289-K293 PolarHBondContact O-N 3.23Å; A289-K293 VanDerWaalsContact O-N 3.11Å; A289-Q294 HydrophobicContact CB-CB 4.24Å; A289-Q294 PolarHBondContact O-N 2.86Å; A289-T295 HydrophobicContact CB-CG2 3.97Å
290	L	93	Very high	90.3	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-57.5	-57.5	174.5	171.3	67.4	0	0	0	111.9	F76 W161 H286 W287 Q292 K293 T295 A297 I300 W302	F76-L290 HydrophobicContact CZ-CD2 4.49Å; W161-L290 HydrophobicContact CD2-CB 4.47Å; W161-L290 HydrophobicContact CD2-CD2 3.82Å; W161-L290 HydrophobicContact CE3-CB 3.76Å; W161-L290 HydrophobicContact CE3-CD2 3.97Å; W161-L290 HydrophobicContact CE3-CG 4.32Å; W161-L290 HydrophobicContact CG-CD2 4.1Å; W161-L290 HydrophobicContact CH2-CD1 4.22Å; W161-L290 HydrophobicContact CZ3-CB 3.89Å; W161-L290 HydrophobicContact CZ3-CD1 4.28Å; W161-L290 HydrophobicContact CZ3-CD2 4.47Å; W161-L290 HydrophobicContact CZ3-CG 4.44Å; H286-L290 WeakPolarHBondContact O-CB 3.49Å; H286-L290 PolarHBondContact O-N 3.38Å; W287-L290 WeakPolarHBondContact O-CB 3.04Å; W287-L290 PolarHBondContact O-N 3.22Å; L290-Q292 PolarHBondContact O-N 3.44Å; L290-K293 WeakPolarHBondContact O-CA 3.45Å; L290-K293 PolarHBondContact O-N 3.29Å; L290-T295 WeakPolarHBondContact CA-OG1 3.01Å; L290-A297 HydrophobicContact CD1-CB 4.33Å; L290-I300 HydrophobicContact CD2-CB 4.48Å; L290-I300 HydrophobicContact CD2-CD1 3.79Å; L290-I300 HydrophobicContact CD2-CG2 4.13Å; L290-W302 HydrophobicContact CD1-CE3 4.34Å; L290-W302 HydrophobicContact CD1-CZ3 4.08Å
291	V	92.9	Very high	89.3	Confident	47 Å²	47	59.9 Å²	59.9	29%	0.285	31%	0.313	S	S	.	.	H	α-helix	trans	-69.4	-21.9	-177.8	-57.6	0	0	0	0	113	W287 K293	W287-V291 HydrophobicContact CD2-CG1 4.25Å; W287-V291 HydrophobicContact CD2-CG2 4.48Å; W287-V291 HydrophobicContact CE3-CG2 4.43Å; W287-V291 HydrophobicContact CH2-CG2 4.07Å; W287-V291 HydrophobicContact CZ2-CG1 3.78Å; W287-V291 HydrophobicContact CZ2-CG2 4.13Å; W287-V291 HydrophobicContact CZ3-CG2 4.23Å; W287-V291 WeakPolarHBondContact O-CG2 3.45Å; W287-V291 PolarHBondContact O-N 3.49Å; V291-K293 VanDerWaalsContact C-N 3.28Å
292	Q	91.8	Very high	88	Confident	118 Å²	118	62.2 Å²	62.2	55%	0.551	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	1.3	170.1	-67.3	176.8	18.4	0	0	113.6	R288 A289 L290 Q294	R288-Q292 VanDerWaalsContact O-CB 3.26Å; R288-Q292 WeakPolarHBondContact O-CB 3.39Å; R288-Q292 WeakPolarHBondContact O-CG 3.17Å; R288-Q292 PolarHBondContact O-N 3.06Å; R288-Q292 VanDerWaalsContact O-N 3.11Å; A289-Q292 CarbonylContact O-C 3.56Å; A289-Q292 PolarHBondContact O-N 3.15Å; L290-Q292 PolarHBondContact O-N 3.44Å; Q292-Q294 VanDerWaalsContact C-N 3.27Å; Q292-Q294 HydrophobicContact CB-CG 4.16Å; Q292-Q294 PolarHBondContact O-N 2.81Å
293	K	87.1	Confident	87.4	Confident	144 Å²	144	63.5 Å²	63.5	63%	0.626	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	35	179.5	-52.6	-177.3	-176.6	-176.3	0	113.8	A289 L290 V291 W302	A289-K293 PolarHBondContact O-N 3.23Å; A289-K293 VanDerWaalsContact O-N 3.11Å; L290-K293 WeakPolarHBondContact O-CA 3.45Å; L290-K293 PolarHBondContact O-N 3.29Å; V291-K293 VanDerWaalsContact C-N 3.28Å; K293-W302 HydrophobicContact CD-CZ2 4.27Å; K293-W302 HydrophobicContact CG-CZ2 4.39Å
294	Q	79.9	Confident	86.9	Confident	135 Å²	135	66.6 Å²	66.6	63%	0.631	34%	0.337	S	S	*	.			trans	-89.4	-16.4	176.4	-66.5	168.8	12.5	0	0	112.3	A289 Q292	A289-Q294 HydrophobicContact CB-CB 4.24Å; A289-Q294 PolarHBondContact O-N 2.86Å; Q292-Q294 VanDerWaalsContact C-N 3.27Å; Q292-Q294 HydrophobicContact CB-CG 4.16Å; Q292-Q294 PolarHBondContact O-N 2.81Å
295	T	80.6	Confident	86.2	Confident	47 Å²	47	68.1 Å²	68.1	29%	0.288	35%	0.346	S	S	.	.	S	Bend	trans	-121.7	168.5	177.8	54.2	0	0	0	0	111.4	A289 L290	A289-T295 HydrophobicContact CB-CG2 3.97Å; L290-T295 WeakPolarHBondContact CA-OG1 3.01Å
296	N	78.7	Confident	85.5	Confident	119 Å²	119	65.8 Å²	65.8	64%	0.636	34%	0.337	S	S	*	.			trans	-75.6	132.2	172.1	-174.9	2.4	0	0	0	109.9	G298	N296-G298 VanDerWaalsContact C-N 3.29Å; N296-G298 PolarHBondContact O-N 2.68Å; N296-G298 VanDerWaalsContact O-N 3.17Å
297	A	75.4	Confident	84.7	Confident	19 Å²	19	68.1 Å²	68.1	16%	0.157	35%	0.35	C	S	.	.			trans	-66.9	-14.5	-168.3	0	0	0	0	0	116.7	L290 G299 I300 W302	L290-A297 HydrophobicContact CD1-CB 4.33Å; A297-G299 PolarHBondContact O-N 3.18Å; A297-I300 VanDerWaalsContact O-CB 3.28Å; A297-I300 WeakPolarHBondContact O-CB 3.42Å; A297-I300 WeakPolarHBondContact O-CG1 3.24Å; A297-I300 PolarHBondContact O-N 3.48Å; A297-W302 HydrophobicContact CB-CH2 3.78Å; A297-W302 HydrophobicContact CB-CZ3 3.51Å
298	G	76.1	Confident	83.8	Confident	31 Å²	31	71.1 Å²	71.1	32%	0.32	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	9.3	-172.7	0	0	0	0	0	115.2	K123 N296	K123-G298 PolarHBondContact NZ-O 3.45Å; N296-G298 VanDerWaalsContact C-N 3.29Å; N296-G298 PolarHBondContact O-N 2.68Å; N296-G298 VanDerWaalsContact O-N 3.17Å
299	G	79.1	Confident	82.9	Confident	47 Å²	47	69 Å²	69	49%	0.485	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	19.9	-169.5	0	0	0	0	0	114.7	K123 A297	K123-G299 WeakPolarHBondContact CB-O 3.23Å; K123-G299 VanDerWaalsContact CG-O 3.31Å; K123-G299 WeakPolarHBondContact CG-O 3.48Å; A297-G299 PolarHBondContact O-N 3.18Å
300	I	81.4	Confident	81.9	Confident	5 Å²	5	73 Å²	73	3%	0.026	38%	0.384	C	S	.	.			trans	-74.7	139	172.7	-64.9	170.1	0	0	0	110.4	F76 T122 W161 L290 A297	F76-I300 HydrophobicContact CD1-CG2 4.31Å; F76-I300 HydrophobicContact CE1-CD1 4.3Å; F76-I300 HydrophobicContact CE1-CG2 3.62Å; F76-I300 HydrophobicContact CZ-CD1 4.43Å; F76-I300 HydrophobicContact CZ-CG2 4.44Å; T122-I300 WeakPolarHBondContact O-CA 3.24Å; W161-I300 HydrophobicContact CD2-CD1 4.36Å; W161-I300 HydrophobicContact CG-CD1 4.43Å; W161-I300 HydrophobicContact CZ2-CD1 3.96Å; L290-I300 HydrophobicContact CD2-CB 4.48Å; L290-I300 HydrophobicContact CD2-CD1 3.79Å; L290-I300 HydrophobicContact CD2-CG2 4.13Å; A297-I300 VanDerWaalsContact O-CB 3.28Å; A297-I300 WeakPolarHBondContact O-CB 3.42Å; A297-I300 WeakPolarHBondContact O-CG1 3.24Å; A297-I300 PolarHBondContact O-N 3.48Å
301	E	79.4	Confident	81	Confident	94 Å²	94	79 Å²	79	44%	0.439	42%	0.415	S	S	.	.			trans	-101.9	133.6	175.1	-70.1	-70.3	159.5	0	0	110.1	H77 T122 N127	H77-E301 PolarHBondContact NE2-O 3.05Å; H77-E301 VanDerWaalsContact NE2-O 3.08Å; T122-E301 PolarHBondContact O-N 2.92Å; N127-E301 PolarHBondContact ND2-O 3.23Å
302	W	69.6	Low	79.9	Confident	142 Å²	142	81.9 Å²	81.9	54%	0.538	43%	0.427	S	S	.	.			trans	-125.1	0	-177.9	54.1	64.2	0	0	0	113	L290 K293 A297	L290-W302 HydrophobicContact CD1-CE3 4.34Å; L290-W302 HydrophobicContact CD1-CZ3 4.08Å; K293-W302 HydrophobicContact CD-CZ2 4.27Å; K293-W302 HydrophobicContact CG-CZ2 4.39Å; A297-W302 HydrophobicContact CB-CH2 3.78Å; A297-W302 HydrophobicContact CB-CZ3 3.51Å

Retrieved 302 of 302 residues in 1122.5 ms (Link to these results)

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