A0A077ZE73_TRITR Loading...

GTP binding protein 2

AlphaFold DB , UniProt , Accession A0A077ZE73, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 595 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	26.3	Very low	26.6	Very low	237 Å²	237	161 Å²	161	100%	1.167	80%	0.799	S	S	*	*				0	4	0	-86.4	-146.3	-103.9	0	0	113.3
2	E	26.8	Very low	26.5	Very low	193 Å²	193	156.8 Å²	156.8	90%	0.902	79%	0.789	S	S	*	*			trans	-105	3.6	-176.8	-73.7	177.2	150.4	0	0	115.6
3	Y	25.8	Very low	26.5	Very low	212 Å²	212	153.2 Å²	153.2	83%	0.831	78%	0.78	S	S	*	*			trans	-93.5	3.2	-177.2	-92.7	-86	0	0	0	115.3
4	F	27.9	Very low	26.6	Very low	155 Å²	155	149.5 Å²	149.5	68%	0.68	77%	0.769	S	S	*	*	S	Bend	trans	-91.3	0.3	-168.9	-94.1	-83.2	0	0	0	116.3
5	F	26.2	Very low	26.6	Very low	207 Å²	207	148.1 Å²	148.1	91%	0.908	76%	0.763	S	S	*	*			trans	-132.5	70.8	174	-71.4	-82.3	0	0	0	110.3
6	S	22.7	Very low	26.5	Very low	96 Å²	96	150.4 Å²	150.4	67%	0.671	76%	0.76	S	S	*	*			trans	-122.2	61.3	163.3	58.4	0	0	0	0	109.9	S8	S6-S8 PolarHBondContact O-N 3.13Å
7	C	25.7	Very low	26.6	Very low	119 Å²	119	144.5 Å²	144.5	80%	0.804	74%	0.737	S	S	*	*	S	Bend	trans	-70	100.4	136.1	-87.8	0	0	0	0	104.2	H9	C7-H9 PolarHBondContact O-N 2.84Å
8	S	26.5	Very low	26.7	Very low	74 Å²	74	140.7 Å²	140.7	52%	0.517	73%	0.725	S	S	.	*			trans	-39.4	116	170.1	43.3	0	0	0	0	109.2	S6 D10	S6-S8 PolarHBondContact O-N 3.13Å; S8-D10 PolarHBondContact O-N 3.32Å
9	H	26.9	Very low	26.8	Very low	185 Å²	185	142.3 Å²	142.3	86%	0.856	73%	0.726	S	S	*	*			trans	-68.5	14.7	164.7	-108	35.3	0	0	0	112.2	C7	C7-H9 PolarHBondContact O-N 2.84Å
10	D	29	Very low	26.9	Very low	128 Å²	128	142.6 Å²	142.6	68%	0.684	73%	0.73	S	S	*	*	S	Bend	trans	-100.2	111.8	-175.7	-71.7	-35	0	0	0	110	S8	S8-D10 PolarHBondContact O-N 3.32Å
11	Q	28.7	Very low	27.1	Very low	165 Å²	165	144 Å²	144	77%	0.771	73%	0.733	S	S	*	*	S	Bend	trans	91.7	12.9	154.1	-53.7	-171.2	2.5	0	0	121.4	T14	Q11-T14 PolarHBondContact O-OG1 3.31Å
12	T	25.7	Very low	27.4	Very low	110 Å²	110	139.6 Å²	139.6	68%	0.675	71%	0.713	S	S	*	*			trans	-100.1	13.1	163.1	43	0	0	0	0	114.7	T14	T12-T14 PolarHBondContact O-N 3.15Å
13	T	25.8	Very low	27.7	Very low	110 Å²	110	133 Å²	133	68%	0.675	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-3.2	169.8	-32.6	0	0	0	0	113.4	S17	T13-S17 PolarHBondContact O-OG 3.28Å
14	T	28.2	Very low	28.6	Very low	102 Å²	102	125 Å²	125	63%	0.626	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	3.1	-174.9	33.6	0	0	0	0	116.1	Q11 T12	Q11-T14 PolarHBondContact O-OG1 3.31Å; T12-T14 PolarHBondContact O-N 3.15Å
15	L	26.6	Very low	29.6	Very low	129 Å²	129	119 Å²	119	68%	0.675	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.9	-21.8	171.4	-74.1	168.7	0	0	0	114.3
16	Y	25.9	Very low	30.7	Very low	184 Å²	184	109.7 Å²	109.7	72%	0.722	61%	0.609	S	S	*	*	S	Bend	trans	-86	-18.1	173	-82.4	-82	0	0	0	113.9
17	S	27.2	Very low	32	Very low	51 Å²	51	107.9 Å²	107.9	36%	0.357	59%	0.592	S	S	.	*	H	α-helix	trans	-72.5	-32.8	174.9	36.7	0	0	0	0	112.2	T13 F19 E21	T13-S17 PolarHBondContact O-OG 3.28Å; S17-F19 VanDerWaalsContact C-N 3.33Å; S17-F19 PolarHBondContact O-N 3.08Å; S17-E21 PolarHBondContact O-N 3.48Å
18	S	29.2	Very low	33.3	Very low	75 Å²	75	111.2 Å²	111.2	52%	0.524	60%	0.595	S	S	.	*	H	α-helix	trans	-73	-21.7	-177.1	-43.7	0	0	0	0	114.4
19	F	28.3	Very low	34.4	Very low	172 Å²	172	115.6 Å²	115.6	75%	0.754	61%	0.613	S	S	*	*	H	α-helix	trans	-94.1	-20.2	178.9	-82.1	-80.3	0	0	0	114.1	S17	S17-F19 VanDerWaalsContact C-N 3.33Å; S17-F19 PolarHBondContact O-N 3.08Å
20	N	28.9	Very low	35.5	Very low	148 Å²	148	107.5 Å²	107.5	79%	0.791	58%	0.58	S	S	*	*	H	α-helix	trans	-89.1	-17.5	175.1	-91.1	-5	0	0	0	113.5
21	E	30.6	Very low	36.7	Very low	172 Å²	172	105.1 Å²	105.1	80%	0.804	57%	0.572	S	S	*	*	S	Bend	trans	-79.3	-24.2	176	-74.7	-170.2	178.3	0	0	113.3	S17 G23	S17-E21 PolarHBondContact O-N 3.48Å; E21-G23 PolarHBondContact O-N 2.99Å
22	L	32.3	Very low	38.3	Very low	144 Å²	144	105 Å²	105	75%	0.754	57%	0.571	S	S	*	*	S	Bend	trans	-92	92.8	162.1	-111.5	84.2	0	0	0	108.3	S24	L22-S24 PolarHBondContact O-N 2.81Å
23	G	33.8	Very low	40.5	Very low	55 Å²	55	103.5 Å²	103.5	57%	0.567	56%	0.559	S	S	*	*			trans	-49.1	125.7	166.4	0	0	0	0	0	109.5	E21	E21-G23 PolarHBondContact O-N 2.99Å
24	S	44	Very low	42.9	Very low	45 Å²	45	98.9 Å²	98.9	32%	0.315	53%	0.53	S	S	.	.			trans	-69	145.4	178.9	64.1	0	0	0	0	109.5	L22 L26 D27 R118	L22-S24 PolarHBondContact O-N 2.81Å; S24-L26 PolarHBondContact O-N 3.4Å; S24-L26 VanDerWaalsContact O-N 3.12Å; S24-D27 PolarHBondContact O-N 2.85Å; S24-R118 PolarHBondContact OG-NH1 2.99Å
25	P	48.9	Very low	45.6	Very low	28 Å²	28	97.7 Å²	97.7	18%	0.182	52%	0.524	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-8.6	-164.1	-0.6	15.5	0	0	0	113.8	P31 M34	P25-P31 HydrophobicContact CB-CG 3.76Å; P25-P31 WeakPolarHBondContact O-CD 3.31Å; P25-M34 HydrophobicContact CB-CE 4.27Å; P25-M34 HydrophobicContact CB-CG 4.4Å; P25-M34 HydrophobicContact CB-SD 3.3Å; P25-M34 WeakPolarHBondContact CB-SD 3.34Å; P25-M34 HydrophobicContact CG-CE 3.62Å; P25-M34 HydrophobicContact CG-SD 3.35Å; P25-M34 WeakPolarHBondContact CG-SD 3.14Å
26	L	49.2	Very low	48.4	Very low	11 Å²	11	95.8 Å²	95.8	6%	0.058	52%	0.519	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	11.9	176.5	-66.4	179.7	0	0	0	115.5	S24 M34 V132 E134	S24-L26 PolarHBondContact O-N 3.4Å; S24-L26 VanDerWaalsContact O-N 3.12Å; L26-M34 HydrophobicContact CD1-SD 4.41Å; L26-M34 HydrophobicContact CD2-CG 4.31Å; L26-M34 HydrophobicContact CD2-SD 3.77Å; L26-M34 HydrophobicContact CG-CE 4.34Å; L26-M34 HydrophobicContact CG-SD 3.54Å; L26-M34 VanDerWaalsContact CG-SD 3.54Å; L26-V132 HydrophobicContact CD1-CG1 4.29Å; L26-V132 HydrophobicContact CD2-CG1 4.12Å; L26-E134 HydrophobicContact CD1-CB 4.23Å
27	D	51.7	Low	51.3	Low	59 Å²	59	88.9 Å²	88.9	32%	0.316	49%	0.493	S	S	.	.	S	Bend	trans	-52.8	153.5	171.5	-82.2	-15.7	0	0	0	111.5	S24 N29 G30 R118 K120	S24-D27 PolarHBondContact O-N 2.85Å; D27-N29 PolarHBondContact O-N 3.44Å; D27-G30 VanDerWaalsContact C-N 3.28Å; D27-G30 WeakPolarHBondContact O-CA 3.43Å; D27-G30 PolarHBondContact O-N 2.96Å; D27-R118 IonicContact OD1-CZ 3.63Å; D27-R118 IonicContact OD1-NH1 3.13Å; D27-R118 PolarHBondContact OD1-NH1 2.79Å; D27-R118 IonicContact OD1-NH2 3.88Å; D27-R118 PolarHBondContact OD1-NH2 2.99Å; D27-K120 PolarHBondContact O-NZ 2.93Å
28	E	52	Low	54	Low	188 Å²	188	93.6 Å²	93.6	88%	0.879	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-33.7	174.2	-80	-170.3	161.9	0	0	111
29	N	50.3	Low	56.5	Low	166 Å²	166	94.7 Å²	94.7	89%	0.888	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	4.8	172.2	-60.3	-36.9	0	0	0	113.3	D27	D27-N29 PolarHBondContact O-N 3.44Å
30	G	48.4	Very low	59	Low	16 Å²	16	91.7 Å²	91.7	17%	0.165	51%	0.509	C	S	.	.	S	Bend	trans	-72.6	159	-179.5	0	0	0	0	0	112.1	D27 K120	D27-G30 VanDerWaalsContact C-N 3.28Å; D27-G30 WeakPolarHBondContact O-CA 3.43Å; D27-G30 PolarHBondContact O-N 2.96Å; G30-K120 PolarHBondContact O-NZ 2.91Å
31	P	54.3	Low	61.6	Low	78 Å²	78	86 Å²	86	51%	0.506	49%	0.485	S	S	.	.			trans	-53.8	148.2	179.1	25	-34.8	0	0	0	111.4	P25 N33	P25-P31 HydrophobicContact CB-CG 3.76Å; P25-P31 WeakPolarHBondContact O-CD 3.31Å; P31-N33 PolarHBondContact O-N 3.02Å; P31-N33 VanDerWaalsContact O-N 3.15Å
32	E	62.8	Low	64.2	Low	161 Å²	161	80.3 Å²	80.3	75%	0.752	46%	0.46	S	S	*	.	S	Bend	trans	-60.7	-23.5	175.5	-71.5	-172	150.8	0	0	112.3	C87	E32-C87 VanDerWaalsContact O-CB 3.23Å; E32-C87 WeakPolarHBondContact O-CB 3.27Å; E32-C87 PolarHBondContact O-SG 2.96Å
33	N	73	Confident	67	Low	79 Å²	79	75.7 Å²	75.7	42%	0.422	44%	0.438	S	S	.	.	B	Isolated β-bridge	trans	-124.3	142.6	-177.8	-66.1	-36.1	0	0	0	112.4	P31 I86	P31-N33 PolarHBondContact O-N 3.02Å; P31-N33 VanDerWaalsContact O-N 3.15Å; N33-I86 WeakPolarHBondContact OD1-CA 3.42Å
34	M	75.9	Confident	69.9	Low	13 Å²	13	73.7 Å²	73.7	6%	0.064	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-83.4	160.6	173.5	-56.8	-78.1	-67.2	0	0	110.3	P25 L26 Y45 E78 V81 G85	P25-M34 HydrophobicContact CB-CE 4.27Å; P25-M34 HydrophobicContact CB-CG 4.4Å; P25-M34 HydrophobicContact CB-SD 3.3Å; P25-M34 WeakPolarHBondContact CB-SD 3.34Å; P25-M34 HydrophobicContact CG-CE 3.62Å; P25-M34 HydrophobicContact CG-SD 3.35Å; P25-M34 WeakPolarHBondContact CG-SD 3.14Å; L26-M34 HydrophobicContact CD1-SD 4.41Å; L26-M34 HydrophobicContact CD2-CG 4.31Å; L26-M34 HydrophobicContact CD2-SD 3.77Å; L26-M34 HydrophobicContact CG-CE 4.34Å; L26-M34 HydrophobicContact CG-SD 3.54Å; L26-M34 VanDerWaalsContact CG-SD 3.54Å; M34-Y45 HydrophobicContact CB-CE2 4.19Å; M34-Y45 HydrophobicContact CE-CE1 4.39Å; M34-Y45 VanDerWaalsContact CE-OH 3.25Å; M34-Y45 WeakPolarHBondContact CE-OH 3.45Å; M34-E78 WeakPolarHBondContact CE-OE1 3.34Å; M34-E78 WeakPolarHBondContact CE-OE2 3.46Å; M34-V81 HydrophobicContact CG-CG1 4.27Å; M34-G85 WeakPolarHBondContact CB-O 3.45Å; M34-G85 PolarHBondContact N-O 3.11Å; M34-G85 WeakPolarHBondContact O-CA 3.44Å
35	P	84.2	Confident	72.2	Confident	77 Å²	77	72.1 Å²	72.1	50%	0.5	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-61.2	157	163.4	28.8	-33.5	0	0	0	110.3	Y45	P35-Y45 VanDerWaalsContact O-CE2 3.28Å; P35-Y45 WeakPolarHBondContact O-CE2 3.4Å; P35-Y45 PolarHBondContact O-OH 3.22Å
36	P	85.7	Confident	74.3	Confident	89 Å²	89	72 Å²	72	58%	0.578	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-60.4	146.8	175.9	25.4	-33.9	0	0	0	111.7	Q38	P36-Q38 PolarHBondContact O-N 2.97Å
37	E	86.1	Confident	76.2	Confident	39 Å²	39	73.5 Å²	73.5	18%	0.182	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-58.2	130.9	178.6	-172.9	-179.6	177.6	0	0	110.5	E44 Y45 R67 D83	E37-E44 WeakPolarHBondContact OE1-CA 3.39Å; E37-Y45 HydrophobicContact CB-CD2 3.63Å; E37-Y45 HydrophobicContact CB-CE2 4.07Å; E37-Y45 HydrophobicContact CB-CG 4.01Å; E37-Y45 HydrophobicContact CG-CD2 4.35Å; E37-Y45 HydrophobicContact CG-CG 4.24Å; E37-Y45 PolarHBondContact OE1-N 2.85Å; E37-Y45 WeakPolarHBondContact OE2-CB 2.85Å; E37-Y45 PolarHBondContact OE2-N 3.23Å; E37-R67 IonicContact OE1-CZ 3.38Å; E37-R67 IonicContact OE1-NH2 2.73Å; E37-R67 PolarHBondContact OE1-NH2 3.12Å; E37-D83 WeakPolarHBondContact CB-O 3.33Å; E37-D83 PolarHBondContact N-O 2.84Å
38	Q	85.2	Confident	78.1	Confident	151 Å²	151	75.3 Å²	75.3	71%	0.706	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-82.1	137	171.6	-64.9	-177.1	-0.7	0	0	109.8	P36 D40 R67	P36-Q38 PolarHBondContact O-N 2.97Å; Q38-D40 WeakPolarHBondContact CB-O 3.28Å; Q38-D40 PolarHBondContact O-N 3.47Å; Q38-R67 PolarHBondContact O-NH1 2.84Å; Q38-R67 PolarHBondContact O-NH2 2.8Å
39	S	80.1	Confident	79.9	Confident	97 Å²	97	66.8 Å²	66.8	68%	0.678	37%	0.371	S	S	*	.	S	Bend	trans	-61.6	-32.2	177.2	57	0	0	0	0	112.4	R67	S39-R67 PolarHBondContact O-NH1 2.83Å
40	D	81.8	Confident	81.8	Confident	110 Å²	110	61.9 Å²	61.9	59%	0.588	35%	0.345	S	S	*	.	S	Bend	trans	-104.8	151.9	179.4	-52.4	-19.6	0	0	0	109.4	Q38 R67	Q38-D40 WeakPolarHBondContact CB-O 3.28Å; Q38-D40 PolarHBondContact O-N 3.47Å; D40-R67 VanDerWaalsContact C-NH1 3.32Å; D40-R67 PolarHBondContact O-NH1 3.17Å
41	G	84	Confident	83.5	Confident	28 Å²	28	66.9 Å²	66.9	29%	0.289	37%	0.368	S	S	.	.	S	Bend	trans	111.1	-176.6	175	0	0	0	0	0	113.3	R67 E70	G41-R67 WeakPolarHBondContact O-CD 3.47Å; G41-R67 PolarHBondContact O-NH1 3Å; G41-E70 PolarHBondContact N-OE2 2.72Å
42	N	84.8	Confident	85.1	Confident	52 Å²	52	64 Å²	64	28%	0.278	35%	0.349	S	S	.	.	S	Bend	trans	-96.8	5.9	-170.7	71.3	-34.3	0	0	0	114.5	G71 E74 A75 V76	N42-G71 VanDerWaalsContact CB-CA 3.41Å; N42-E74 WeakPolarHBondContact CB-O 3.45Å; N42-A75 CarbonylContact O-C 3.09Å; N42-A75 WeakPolarHBondContact O-CA 3.43Å; N42-V76 PolarHBondContact O-N 3.24Å
43	V	91.6	Very high	86.4	Confident	48 Å²	48	59.6 Å²	59.6	29%	0.291	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	133.1	-177.9	-176.6	0	0	0	0	110	Y45 R67 V76	V43-Y45 HydrophobicContact CG1-CD1 4.01Å; V43-Y45 HydrophobicContact CG1-CE1 3.44Å; V43-Y45 VanDerWaalsContact CG1-CE1 3.44Å; V43-R67 PolarHBondContact O-NE 2.92Å; V43-R67 PolarHBondContact O-NH1 2.97Å; V43-R67 PolarHBondContact O-NH2 3.35Å; V43-R67 VanDerWaalsContact O-NH2 3.11Å; V43-V76 CarbonylContact C-O 3.57Å; V43-V76 WeakPolarHBondContact CA-O 3.41Å; V43-V76 HydrophobicContact CG2-CB 4.3Å
44	E	93.3	Very high	87	Confident	13 Å²	13	60.7 Å²	60.7	6%	0.061	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	129.1	178.9	-174.7	75.6	-160.4	0	0	111.7	E37 K46 Q63 R67 V76 Y77 E78	E37-E44 WeakPolarHBondContact OE1-CA 3.39Å; E44-K46 HydrophobicContact CG-CG 4.29Å; E44-K46 WeakPolarHBondContact OE1-CE 3.25Å; E44-K46 IonicContact OE1-NZ 3.41Å; E44-K46 PolarHBondContact OE1-NZ 2.94Å; E44-Q63 PolarHBondContact OE1-NE2 2.78Å; E44-Q63 PolarHBondContact OE2-NE2 3.18Å; E44-Q63 VanDerWaalsContact OE2-NE2 3.16Å; E44-R67 HydrophobicContact CB-CG 4.21Å; E44-R67 WeakPolarHBondContact OE2-CG 3.06Å; E44-R67 IonicContact OE2-CZ 2.72Å; E44-R67 IonicContact OE2-NE 2.76Å; E44-R67 PolarHBondContact OE2-NE 3.31Å; E44-R67 IonicContact OE2-NH2 3.24Å; E44-V76 PolarHBondContact N-O 3.4Å; E44-Y77 HydrophobicContact CB-CD1 4.07Å; E44-Y77 HydrophobicContact CB-CD2 4.27Å; E44-Y77 HydrophobicContact CB-CE1 3.92Å; E44-Y77 HydrophobicContact CB-CE2 4.12Å; E44-Y77 HydrophobicContact CB-CG 4.26Å; E44-Y77 HydrophobicContact CG-CD1 4.15Å; E44-Y77 HydrophobicContact CG-CE1 3.73Å; E44-Y77 WeakPolarHBondContact O-CA 3.35Å; E44-E78 PolarHBondContact O-N 3.2Å
45	Y	93	Very high	87.6	Confident	11 Å²	11	63.8 Å²	63.8	4%	0.043	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	133.3	176.2	-63.5	-5.9	0	0	0	110.5	M34 P35 E37 V43 E78 V81 Q82	M34-Y45 HydrophobicContact CB-CE2 4.19Å; M34-Y45 HydrophobicContact CE-CE1 4.39Å; M34-Y45 VanDerWaalsContact CE-OH 3.25Å; M34-Y45 WeakPolarHBondContact CE-OH 3.45Å; P35-Y45 VanDerWaalsContact O-CE2 3.28Å; P35-Y45 WeakPolarHBondContact O-CE2 3.4Å; P35-Y45 PolarHBondContact O-OH 3.22Å; E37-Y45 HydrophobicContact CB-CD2 3.63Å; E37-Y45 HydrophobicContact CB-CE2 4.07Å; E37-Y45 HydrophobicContact CB-CG 4.01Å; E37-Y45 HydrophobicContact CG-CD2 4.35Å; E37-Y45 HydrophobicContact CG-CG 4.24Å; E37-Y45 PolarHBondContact OE1-N 2.85Å; E37-Y45 WeakPolarHBondContact OE2-CB 2.85Å; E37-Y45 PolarHBondContact OE2-N 3.23Å; V43-Y45 HydrophobicContact CG1-CD1 4.01Å; V43-Y45 HydrophobicContact CG1-CE1 3.44Å; V43-Y45 VanDerWaalsContact CG1-CE1 3.44Å; Y45-E78 HydrophobicContact CD1-CB 3.74Å; Y45-E78 HydrophobicContact CD1-CG 4.03Å; Y45-E78 HydrophobicContact CE1-CB 4.12Å; Y45-E78 HydrophobicContact CE1-CG 3.93Å; Y45-E78 WeakPolarHBondContact CE1-OE1 3.19Å; Y45-E78 WeakPolarHBondContact CE1-OE2 3.35Å; Y45-V81 HydrophobicContact CD2-CG1 3.84Å; Y45-V81 HydrophobicContact CE2-CG1 4.16Å; Y45-V81 HydrophobicContact CG-CB 4.43Å; Y45-V81 HydrophobicContact CG-CG1 4.1Å; Y45-Q82 WeakPolarHBondContact CD2-O 3.33Å
46	K	93	Very high	87.8	Confident	26 Å²	26	65.6 Å²	65.6	11%	0.113	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	119.1	173.2	-69.1	-69	156.4	-99.5	0	109.9	E44 K48 L49 E78 I79 G80 V81	E44-K46 HydrophobicContact CG-CG 4.29Å; E44-K46 WeakPolarHBondContact OE1-CE 3.25Å; E44-K46 IonicContact OE1-NZ 3.41Å; E44-K46 PolarHBondContact OE1-NZ 2.94Å; K46-K48 PolarHBondContact O-N 3.33Å; K46-L49 HydrophobicContact CB-CD2 4.24Å; K46-L49 HydrophobicContact CB-CG 4.21Å; K46-L49 HydrophobicContact CD-CD2 4.07Å; K46-L49 HydrophobicContact CG-CD2 4.05Å; K46-L49 HydrophobicContact CG-CG 4.45Å; K46-E78 PolarHBondContact N-O 3.38Å; K46-I79 HydrophobicContact CB-CD1 4.03Å; K46-I79 WeakPolarHBondContact O-CA 3.46Å; K46-G80 PolarHBondContact O-N 2.76Å; K46-V81 CarbonylContact C-O 3.51Å
47	L	89.6	Confident	87.9	Confident	43 Å²	43	61.4 Å²	61.4	23%	0.225	35%	0.345	C	S	.	.	S	Bend	trans	-58.4	-54.8	174.2	177.8	60.5	0	0	0	109.9	G80 V81 Q82 R88 L90	L47-G80 VanDerWaalsContact O-CA 3.32Å; L47-G80 WeakPolarHBondContact O-CA 3.23Å; L47-G80 PolarHBondContact O-N 2.93Å; L47-V81 WeakPolarHBondContact CA-O 3.32Å; L47-V81 PolarHBondContact N-O 2.94Å; L47-Q82 HydrophobicContact CD1-CG 4.27Å; L47-Q82 HydrophobicContact CD2-CG 4.38Å; L47-R88 HydrophobicContact CD1-CB 3.72Å; L47-R88 HydrophobicContact CD1-CG 4.2Å; L47-L90 HydrophobicContact CD1-CD2 4.46Å; L47-L90 WeakPolarHBondContact O-CD1 3.3Å; L47-L90 VanDerWaalsContact O-CD2 3.26Å; L47-L90 WeakPolarHBondContact O-CD2 3.35Å; L47-L90 WeakPolarHBondContact O-CG 3.3Å
48	K	91.7	Very high	87.9	Confident	97 Å²	97	64.4 Å²	64.4	42%	0.422	36%	0.359	S	S	.	.			trans	-154.2	151.6	176.4	57.7	-169.5	-176.8	173.6	0	113.3	K46 L50 L90 E94	K46-K48 PolarHBondContact O-N 3.33Å; K48-L50 HydrophobicContact CB-CG 4.23Å; K48-L50 HydrophobicContact CD-CD1 3.76Å; K48-L50 HydrophobicContact CD-CG 4.06Å; K48-L50 HydrophobicContact CG-CD1 4.42Å; K48-L50 HydrophobicContact CG-CG 4.23Å; K48-L90 HydrophobicContact CB-CD1 4.26Å; K48-L90 HydrophobicContact CB-CD2 3.87Å; K48-L90 HydrophobicContact CD-CD2 4.48Å; K48-E94 WeakPolarHBondContact CD-OE1 3.19Å; K48-E94 IonicContact NZ-OE1 3.3Å; K48-E94 PolarHBondContact NZ-OE1 2.85Å
49	L	89.6	Confident	88.1	Confident	8 Å²	8	62.6 Å²	62.6	4%	0.042	35%	0.35	C	S	.	.			trans	-123.9	61.6	-179.8	-63.8	175.1	0	0	0	110.5	K46 L60 I79 S98 T101 L102 M105	K46-L49 HydrophobicContact CB-CD2 4.24Å; K46-L49 HydrophobicContact CB-CG 4.21Å; K46-L49 HydrophobicContact CD-CD2 4.07Å; K46-L49 HydrophobicContact CG-CD2 4.05Å; K46-L49 HydrophobicContact CG-CG 4.45Å; L49-L60 HydrophobicContact CD2-CD1 3.97Å; L49-L60 HydrophobicContact CD2-CD2 3.88Å; L49-I79 HydrophobicContact CD1-CD1 3.88Å; L49-I79 HydrophobicContact CG-CD1 4.47Å; L49-S98 PolarHBondContact N-OG 3.48Å; L49-T101 HydrophobicContact CB-CG2 3.93Å; L49-T101 WeakPolarHBondContact O-CB 3.3Å; L49-T101 PolarHBondContact O-OG1 2.85Å; L49-L102 HydrophobicContact CD1-CB 4.48Å; L49-L102 HydrophobicContact CD1-CD1 4.09Å; L49-M105 HydrophobicContact CD1-SD 4.28Å
50	L	89.9	Confident	88.7	Confident	63 Å²	63	58.2 Å²	58.2	33%	0.33	32%	0.319	S	S	.	.			trans	-81.4	120.3	-177.1	-55.7	-179	0	0	0	111.4	K48 E94	K48-L50 HydrophobicContact CB-CG 4.23Å; K48-L50 HydrophobicContact CD-CD1 3.76Å; K48-L50 HydrophobicContact CD-CG 4.06Å; K48-L50 HydrophobicContact CG-CD1 4.42Å; K48-L50 HydrophobicContact CG-CG 4.23Å; L50-E94 HydrophobicContact CD1-CG 4.25Å; L50-E94 HydrophobicContact CD2-CB 4.03Å; L50-E94 HydrophobicContact CD2-CG 4.07Å
51	N	83.4	Confident	89	Confident	121 Å²	121	53.2 Å²	53.2	65%	0.647	29%	0.292	S	S	*	.	S	Bend	trans	30.1	60.7	167.6	-63.5	-30.5	0	0	0	114.9
52	P	88.3	Confident	89.1	Confident	19 Å²	19	55.1 Å²	55.1	12%	0.123	30%	0.301	C	S	.	.			trans	-63	144.6	-175.5	27	-35.9	0	0	0	111.3	R56 L57 L60 T101	P52-R56 HydrophobicContact CB-CB 3.99Å; P52-R56 HydrophobicContact CB-CG 3.83Å; P52-L57 HydrophobicContact CB-CB 4.39Å; P52-L57 HydrophobicContact CG-CB 4.16Å; P52-L57 HydrophobicContact CG-CD1 3.96Å; P52-L60 HydrophobicContact CB-CD1 4.05Å; P52-L60 HydrophobicContact CG-CD1 4.16Å; P52-T101 HydrophobicContact CG-CG2 3.54Å
53	S	90.2	Very high	89.4	Confident	67 Å²	67	54 Å²	54	47%	0.469	29%	0.294	S	S	.	.			trans	-58.4	156.1	169.1	70.1	0	0	0	0	110.5	A55 R56 L57	S53-A55 PolarHBondContact O-N 3.19Å; S53-A55 VanDerWaalsContact O-N 3.15Å; S53-R56 PolarHBondContact O-N 3.48Å; S53-R56 WeakPolarHBondContact OG-CB 3.35Å; S53-R56 PolarHBondContact OG-N 3.1Å; S53-L57 WeakPolarHBondContact O-CB 3.3Å; S53-L57 PolarHBondContact O-N 2.77Å
54	P	85.5	Confident	89.3	Confident	103 Å²	103	51.8 Å²	51.8	67%	0.669	28%	0.28	S	S	*	.	H	α-helix	trans	-52.9	-39.2	179.6	-28.1	35.3	0	0	0	113.5	L57 Q58	P54-L57 PolarHBondContact O-N 2.98Å; P54-Q58 WeakPolarHBondContact O-CG 3.48Å; P54-Q58 PolarHBondContact O-N 2.83Å; P54-Q58 VanDerWaalsContact O-N 3.08Å
55	A	88.7	Confident	88.9	Confident	77 Å²	77	56.2 Å²	56.2	64%	0.636	30%	0.3	S	S	*	.	H	α-helix	trans	-67	-43.4	175.6	0	0	0	0	0	112.5	S53 L57 Q58 H59	S53-A55 PolarHBondContact O-N 3.19Å; S53-A55 VanDerWaalsContact O-N 3.15Å; A55-L57 VanDerWaalsContact C-N 3.31Å; A55-L57 PolarHBondContact O-N 2.86Å; A55-Q58 PolarHBondContact O-N 3.5Å; A55-H59 PolarHBondContact O-N 2.79Å; A55-H59 VanDerWaalsContact O-N 3.13Å
56	R	89.4	Confident	88.5	Confident	115 Å²	115	62.1 Å²	62.1	43%	0.434	32%	0.322	S	S	.	.	H	α-helix	trans	-65.3	-37.7	176.5	-179.4	56.9	176	165.7	-1.7	111.4	P52 S53 H59 L60	P52-R56 HydrophobicContact CB-CB 3.99Å; P52-R56 HydrophobicContact CB-CG 3.83Å; S53-R56 PolarHBondContact O-N 3.48Å; S53-R56 WeakPolarHBondContact OG-CB 3.35Å; S53-R56 PolarHBondContact OG-N 3.1Å; R56-H59 PolarHBondContact NH1-ND1 3.42Å; R56-H59 WeakPolarHBondContact O-CB 3.39Å; R56-H59 PolarHBondContact O-N 2.83Å; R56-L60 HydrophobicContact CG-CD1 4.23Å; R56-L60 HydrophobicContact CG-CG 4.5Å; R56-L60 WeakPolarHBondContact O-CG 3.35Å; R56-L60 PolarHBondContact O-N 2.65Å
57	L	87.3	Confident	88.3	Confident	2 Å²	2	61.4 Å²	61.4	1%	0.01	32%	0.319	C	S	.	.	H	α-helix	trans	-62.1	-44.3	175.9	-175.8	63.5	0	0	0	111.2	P52 S53 P54 A55 H59 L60 I61 T101 R104 M105 E108	P52-L57 HydrophobicContact CB-CB 4.39Å; P52-L57 HydrophobicContact CG-CB 4.16Å; P52-L57 HydrophobicContact CG-CD1 3.96Å; S53-L57 WeakPolarHBondContact O-CB 3.3Å; S53-L57 PolarHBondContact O-N 2.77Å; P54-L57 PolarHBondContact O-N 2.98Å; A55-L57 VanDerWaalsContact C-N 3.31Å; A55-L57 PolarHBondContact O-N 2.86Å; L57-H59 VanDerWaalsContact C-N 3.31Å; L57-H59 PolarHBondContact O-N 3.38Å; L57-L60 WeakPolarHBondContact O-CB 3.34Å; L57-L60 PolarHBondContact O-N 3.28Å; L57-I61 HydrophobicContact CD1-CD1 4.35Å; L57-I61 HydrophobicContact CG-CD1 3.94Å; L57-I61 WeakPolarHBondContact O-CB 3.26Å; L57-I61 VanDerWaalsContact O-CG1 3.25Å; L57-I61 WeakPolarHBondContact O-CG1 3.33Å; L57-I61 PolarHBondContact O-N 3.31Å; L57-T101 HydrophobicContact CD1-CG2 4.43Å; L57-R104 VanDerWaalsContact CD2-NH2 3.25Å; L57-M105 HydrophobicContact CD1-CG 3.54Å; L57-E108 VanDerWaalsContact CD2-OE1 3.23Å; L57-E108 WeakPolarHBondContact CD2-OE1 3.4Å
58	Q	86.3	Confident	88	Confident	102 Å²	102	60 Å²	60	48%	0.477	31%	0.311	S	S	.	.	H	α-helix	trans	-61.6	-37.2	174.9	-70.7	-59.4	-43.4	0	0	112.8	P54 A55 I61 S62 E108	P54-Q58 WeakPolarHBondContact O-CG 3.48Å; P54-Q58 PolarHBondContact O-N 2.83Å; P54-Q58 VanDerWaalsContact O-N 3.08Å; A55-Q58 PolarHBondContact O-N 3.5Å; Q58-I61 PolarHBondContact O-N 3.36Å; Q58-S62 WeakPolarHBondContact O-CB 3.32Å; Q58-S62 PolarHBondContact O-N 3.13Å; Q58-S62 PolarHBondContact O-OG 3.16Å; Q58-E108 PolarHBondContact NE2-OE2 3.22Å
59	H	89.1	Confident	87.4	Confident	113 Å²	113	63.1 Å²	63.1	52%	0.523	32%	0.32	S	S	.	.	H	α-helix	trans	-64.6	-45.7	173.7	-174.8	-72.9	0	0	0	111.9	A55 R56 L57 I61 S62 Q63	A55-H59 PolarHBondContact O-N 2.79Å; A55-H59 VanDerWaalsContact O-N 3.13Å; R56-H59 PolarHBondContact NH1-ND1 3.42Å; R56-H59 WeakPolarHBondContact O-CB 3.39Å; R56-H59 PolarHBondContact O-N 2.83Å; L57-H59 VanDerWaalsContact C-N 3.31Å; L57-H59 PolarHBondContact O-N 3.38Å; H59-I61 VanDerWaalsContact C-N 3.33Å; H59-I61 PolarHBondContact O-N 3.35Å; H59-S62 PolarHBondContact O-N 3.18Å; H59-Q63 PolarHBondContact O-N 2.61Å
60	L	92.1	Very high	87.1	Confident	4 Å²	4	65.5 Å²	65.5	2%	0.021	33%	0.331	C	S	.	.	H	α-helix	trans	-61.5	-40.4	176.6	-74.9	171.9	0	0	0	112	L49 P52 R56 L57 Q63 M64 M105	L49-L60 HydrophobicContact CD2-CD1 3.97Å; L49-L60 HydrophobicContact CD2-CD2 3.88Å; P52-L60 HydrophobicContact CB-CD1 4.05Å; P52-L60 HydrophobicContact CG-CD1 4.16Å; R56-L60 HydrophobicContact CG-CD1 4.23Å; R56-L60 HydrophobicContact CG-CG 4.5Å; R56-L60 WeakPolarHBondContact O-CG 3.35Å; R56-L60 PolarHBondContact O-N 2.65Å; L57-L60 WeakPolarHBondContact O-CB 3.34Å; L57-L60 PolarHBondContact O-N 3.28Å; L60-Q63 PolarHBondContact O-N 2.89Å; L60-Q63 PolarHBondContact O-OE1 2.75Å; L60-M64 PolarHBondContact O-N 2.8Å; L60-M105 HydrophobicContact CB-CE 3.61Å; L60-M105 HydrophobicContact CB-CG 4.41Å; L60-M105 HydrophobicContact CB-SD 3.85Å; L60-M105 HydrophobicContact CD1-SD 4.16Å; L60-M105 HydrophobicContact CG-CE 4.5Å
61	I	87.7	Confident	86.4	Confident	5 Å²	5	63.1 Å²	63.1	3%	0.026	32%	0.322	C	S	.	.	H	α-helix	trans	-64.3	-41.6	175	-72.1	168.1	0	0	0	111	L57 Q58 H59 Q63 M64 K65 M105 E108 L109	L57-I61 HydrophobicContact CD1-CD1 4.35Å; L57-I61 HydrophobicContact CG-CD1 3.94Å; L57-I61 WeakPolarHBondContact O-CB 3.26Å; L57-I61 VanDerWaalsContact O-CG1 3.25Å; L57-I61 WeakPolarHBondContact O-CG1 3.33Å; L57-I61 PolarHBondContact O-N 3.31Å; Q58-I61 PolarHBondContact O-N 3.36Å; H59-I61 VanDerWaalsContact C-N 3.33Å; H59-I61 PolarHBondContact O-N 3.35Å; I61-Q63 VanDerWaalsContact C-N 3.33Å; I61-M64 PolarHBondContact O-N 2.74Å; I61-K65 WeakPolarHBondContact O-CG 3.21Å; I61-K65 PolarHBondContact O-N 3.33Å; I61-M105 HydrophobicContact CG1-CB 4.02Å; I61-M105 HydrophobicContact CG1-CG 4.05Å; I61-E108 HydrophobicContact CD1-CB 3.65Å; I61-E108 HydrophobicContact CD1-CG 4.26Å; I61-E108 WeakPolarHBondContact CD1-OE2 3.48Å; I61-L109 HydrophobicContact CG2-CD2 3.46Å; I61-L109 VanDerWaalsContact CG2-CD2 3.46Å; I61-L109 HydrophobicContact CG2-CG 4.11Å
62	S	86.5	Confident	85.8	Confident	69 Å²	69	64.3 Å²	64.3	48%	0.483	32%	0.324	S	S	.	.	H	α-helix	trans	-64.5	-39.6	177.9	-59.2	0	0	0	0	111.7	Q58 H59 K65 W66	Q58-S62 WeakPolarHBondContact O-CB 3.32Å; Q58-S62 PolarHBondContact O-N 3.13Å; Q58-S62 PolarHBondContact O-OG 3.16Å; H59-S62 PolarHBondContact O-N 3.18Å; S62-K65 WeakPolarHBondContact O-CB 3.41Å; S62-K65 PolarHBondContact O-N 2.61Å; S62-W66 PolarHBondContact O-N 2.79Å; S62-W66 VanDerWaalsContact O-N 3.16Å
63	Q	90.6	Very high	85	Confident	29 Å²	29	63.6 Å²	63.6	14%	0.136	32%	0.32	C	S	.	.	H	α-helix	trans	-66.3	-41.7	173.1	167.7	-106	41.8	0	0	111.9	E44 H59 L60 I61 K65 W66 R67 Y77	E44-Q63 PolarHBondContact OE1-NE2 2.78Å; E44-Q63 PolarHBondContact OE2-NE2 3.18Å; E44-Q63 VanDerWaalsContact OE2-NE2 3.16Å; H59-Q63 PolarHBondContact O-N 2.61Å; L60-Q63 PolarHBondContact O-N 2.89Å; L60-Q63 PolarHBondContact O-OE1 2.75Å; I61-Q63 VanDerWaalsContact C-N 3.33Å; Q63-K65 VanDerWaalsContact C-N 3.31Å; Q63-K65 PolarHBondContact O-N 3.46Å; Q63-W66 WeakPolarHBondContact O-CA 3.19Å; Q63-W66 VanDerWaalsContact O-CB 3.27Å; Q63-W66 WeakPolarHBondContact O-CB 3.46Å; Q63-W66 PolarHBondContact O-N 3.11Å; Q63-R67 PolarHBondContact O-N 3.32Å; Q63-Y77 PolarHBondContact OE1-OH 2.89Å
64	M	90.4	Very high	84.5	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-60.4	-40.2	173.4	-171.8	-174.6	-66	0	0	112.6	L60 I61 W66 R67 L68 Y77 L102 M105 A106 L109 I137	L60-M64 PolarHBondContact O-N 2.8Å; I61-M64 PolarHBondContact O-N 2.74Å; M64-W66 PolarHBondContact O-N 2.8Å; M64-R67 PolarHBondContact O-N 2.7Å; M64-L68 HydrophobicContact CG-CD1 3.99Å; M64-L68 HydrophobicContact CG-CG 4.35Å; M64-L68 WeakPolarHBondContact O-CB 3.35Å; M64-L68 VanDerWaalsContact O-CG 3.29Å; M64-L68 WeakPolarHBondContact O-CG 3.48Å; M64-L68 PolarHBondContact O-N 2.84Å; M64-L68 HydrophobicContact SD-CD1 4.5Å; M64-Y77 WeakPolarHBondContact CA-OH 3.41Å; M64-Y77 WeakPolarHBondContact CB-OH 3.22Å; M64-Y77 HydrophobicContact CG-CE2 4.16Å; M64-Y77 PolarHBondContact N-OH 2.91Å; M64-L102 HydrophobicContact CE-CD1 3.88Å; M64-M105 HydrophobicContact CB-CE 4.37Å; M64-M105 HydrophobicContact CE-CB 3.45Å; M64-M105 VanDerWaalsContact CE-CB 3.45Å; M64-M105 HydrophobicContact CE-CE 3.35Å; M64-M105 HydrophobicContact CE-CG 4.38Å; M64-M105 HydrophobicContact CE-SD 4.3Å; M64-M105 HydrophobicContact SD-CB 4.37Å; M64-A106 HydrophobicContact SD-CB 4.38Å; M64-L109 HydrophobicContact CB-CD1 4.3Å; M64-L109 HydrophobicContact CG-CD1 3.91Å; M64-L109 HydrophobicContact SD-CD1 3.42Å; M64-L109 WeakPolarHBondContact SD-CD1 3.23Å; M64-I137 HydrophobicContact CE-CD1 3.3Å; M64-I137 HydrophobicContact CG-CD1 4.1Å; M64-I137 HydrophobicContact CG-CG2 4.46Å; M64-I137 HydrophobicContact SD-CD1 3.67Å; M64-I137 HydrophobicContact SD-CG2 3.86Å
65	K	84	Confident	84.7	Confident	107 Å²	107	57.9 Å²	57.9	47%	0.465	28%	0.277	S	S	.	.	H	α-helix	trans	-60.2	-34.5	173.4	-71.8	177	-177.1	176.9	0	112.3	I61 S62 Q63 R69 L109	I61-K65 WeakPolarHBondContact O-CG 3.21Å; I61-K65 PolarHBondContact O-N 3.33Å; S62-K65 WeakPolarHBondContact O-CB 3.41Å; S62-K65 PolarHBondContact O-N 2.61Å; Q63-K65 VanDerWaalsContact C-N 3.31Å; Q63-K65 PolarHBondContact O-N 3.46Å; K65-R69 WeakPolarHBondContact O-CB 3.23Å; K65-R69 PolarHBondContact O-N 2.99Å; K65-R69 VanDerWaalsContact O-N 3.15Å; K65-L109 HydrophobicContact CD-CD2 3.86Å; K65-L109 HydrophobicContact CG-CD1 4.46Å; K65-L109 HydrophobicContact CG-CD2 3.45Å; K65-L109 VanDerWaalsContact CG-CD2 3.45Å
66	W	85.4	Confident	84.8	Confident	135 Å²	135	55.3 Å²	55.3	51%	0.511	25%	0.253	S	S	.	.	H	α-helix	trans	-67.7	-54.7	177.6	-170.9	-88.9	0	0	0	110.9	S62 Q63 M64 L68 R69 E70	S62-W66 PolarHBondContact O-N 2.79Å; S62-W66 VanDerWaalsContact O-N 3.16Å; Q63-W66 WeakPolarHBondContact O-CA 3.19Å; Q63-W66 VanDerWaalsContact O-CB 3.27Å; Q63-W66 WeakPolarHBondContact O-CB 3.46Å; Q63-W66 PolarHBondContact O-N 3.11Å; M64-W66 PolarHBondContact O-N 2.8Å; W66-L68 VanDerWaalsContact C-N 3.33Å; W66-L68 PolarHBondContact O-N 2.87Å; W66-R69 WeakPolarHBondContact O-CA 3.32Å; W66-R69 WeakPolarHBondContact O-CB 3.28Å; W66-R69 PolarHBondContact O-N 2.78Å; W66-E70 VanDerWaalsContact CD1-CD 3.45Å; W66-E70 PolarHBondContact NE1-OE1 2.81Å; W66-E70 PolarHBondContact NE1-OE2 2.89Å; W66-E70 PolarHBondContact O-N 3.15Å
67	R	89.1	Confident	85	Confident	11 Å²	11	49.9 Å²	49.9	4%	0.042	23%	0.232	C	C	.	.	H	α-helix	trans	-58.5	-42.1	178.6	-65.5	-65	-169.5	-177.4	8.4	112.7	E37 Q38 S39 D40 G41 V43 E44 Q63 M64 R69 E70 G71 A75	E37-R67 IonicContact OE1-CZ 3.38Å; E37-R67 IonicContact OE1-NH2 2.73Å; E37-R67 PolarHBondContact OE1-NH2 3.12Å; Q38-R67 PolarHBondContact O-NH1 2.84Å; Q38-R67 PolarHBondContact O-NH2 2.8Å; S39-R67 PolarHBondContact O-NH1 2.83Å; D40-R67 VanDerWaalsContact C-NH1 3.32Å; D40-R67 PolarHBondContact O-NH1 3.17Å; G41-R67 WeakPolarHBondContact O-CD 3.47Å; G41-R67 PolarHBondContact O-NH1 3Å; V43-R67 PolarHBondContact O-NE 2.92Å; V43-R67 PolarHBondContact O-NH1 2.97Å; V43-R67 PolarHBondContact O-NH2 3.35Å; V43-R67 VanDerWaalsContact O-NH2 3.11Å; E44-R67 HydrophobicContact CB-CG 4.21Å; E44-R67 WeakPolarHBondContact OE2-CG 3.06Å; E44-R67 IonicContact OE2-CZ 2.72Å; E44-R67 IonicContact OE2-NE 2.76Å; E44-R67 PolarHBondContact OE2-NE 3.31Å; E44-R67 IonicContact OE2-NH2 3.24Å; Q63-R67 PolarHBondContact O-N 3.32Å; M64-R67 PolarHBondContact O-N 2.7Å; R67-R69 VanDerWaalsContact C-N 3.27Å; R67-R69 PolarHBondContact O-N 3.07Å; R67-E70 IonicContact NH1-OE2 3.79Å; R67-E70 PolarHBondContact O-N 2.82Å; R67-G71 PolarHBondContact O-N 3.28Å; R67-A75 HydrophobicContact CB-CB 3.8Å
68	L	82.8	Confident	85.2	Confident	13 Å²	13	50 Å²	50	7%	0.068	23%	0.233	C	C	.	.	H	α-helix	trans	-61.9	-34.1	173.6	-75.4	170.4	0	0	0	112.4	M64 W66 H72 G73 A75 L109 A112 I137	M64-L68 HydrophobicContact CG-CD1 3.99Å; M64-L68 HydrophobicContact CG-CG 4.35Å; M64-L68 WeakPolarHBondContact O-CB 3.35Å; M64-L68 VanDerWaalsContact O-CG 3.29Å; M64-L68 WeakPolarHBondContact O-CG 3.48Å; M64-L68 PolarHBondContact O-N 2.84Å; M64-L68 HydrophobicContact SD-CD1 4.5Å; W66-L68 VanDerWaalsContact C-N 3.33Å; W66-L68 PolarHBondContact O-N 2.87Å; L68-H72 PolarHBondContact O-N 3.48Å; L68-G73 WeakPolarHBondContact CD2-O 3.1Å; L68-G73 WeakPolarHBondContact O-CA 3.24Å; L68-G73 PolarHBondContact O-N 3.31Å; L68-A75 HydrophobicContact CD2-CB 3.93Å; L68-A75 HydrophobicContact CG-CB 4.12Å; L68-L109 HydrophobicContact CD1-CD1 3.91Å; L68-A112 HydrophobicContact CD1-CB 4.48Å; L68-I137 HydrophobicContact CD1-CG2 4.35Å; L68-I137 HydrophobicContact CD2-CB 4.37Å; L68-I137 HydrophobicContact CD2-CG2 4.03Å
69	R	79.7	Confident	85.6	Confident	163 Å²	163	45.2 Å²	45.2	62%	0.615	21%	0.21	S	C	*	.	H	α-helix	trans	-72.2	-42.2	177.4	-171.3	-174.7	-61.7	137.1	-0.1	111	K65 W66 R67 G71 H72	K65-R69 WeakPolarHBondContact O-CB 3.23Å; K65-R69 PolarHBondContact O-N 2.99Å; K65-R69 VanDerWaalsContact O-N 3.15Å; W66-R69 WeakPolarHBondContact O-CA 3.32Å; W66-R69 WeakPolarHBondContact O-CB 3.28Å; W66-R69 PolarHBondContact O-N 2.78Å; R67-R69 VanDerWaalsContact C-N 3.27Å; R67-R69 PolarHBondContact O-N 3.07Å; R69-G71 VanDerWaalsContact C-N 3.32Å; R69-H72 PolarHBondContact O-N 3.27Å
70	E	82.9	Confident	85.8	Confident	57 Å²	57	39.8 Å²	39.8	27%	0.266	19%	0.185	S	C	.	.	H	α-helix	trans	-65.7	-35.1	177.8	-68.8	-173	144.1	0	0	112.2	G41 W66 R67 H72	G41-E70 PolarHBondContact N-OE2 2.72Å; W66-E70 VanDerWaalsContact CD1-CD 3.45Å; W66-E70 PolarHBondContact NE1-OE1 2.81Å; W66-E70 PolarHBondContact NE1-OE2 2.89Å; W66-E70 PolarHBondContact O-N 3.15Å; R67-E70 IonicContact NH1-OE2 3.79Å; R67-E70 PolarHBondContact O-N 2.82Å; E70-H72 VanDerWaalsContact C-N 3.34Å
71	G	74.6	Confident	85.7	Confident	14 Å²	14	39.6 Å²	39.6	14%	0.144	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	21.3	173.6	0	0	0	0	0	115.1	N42 R67 R69 G73 E74	N42-G71 VanDerWaalsContact CB-CA 3.41Å; R67-G71 PolarHBondContact O-N 3.28Å; R69-G71 VanDerWaalsContact C-N 3.32Å; G71-G73 PolarHBondContact O-N 3.48Å; G71-G73 VanDerWaalsContact O-N 3.11Å; G71-E74 VanDerWaalsContact CA-O 3.27Å; G71-E74 WeakPolarHBondContact CA-O 3.33Å; G71-E74 PolarHBondContact O-N 3.3Å
72	H	70.5	Confident	85.8	Confident	146 Å²	146	42.1 Å²	42.1	68%	0.676	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	38.3	175.8	-58.3	-66.5	0	0	0	115.1	L68 R69 E70	L68-H72 PolarHBondContact O-N 3.48Å; R69-H72 PolarHBondContact O-N 3.27Å; E70-H72 VanDerWaalsContact C-N 3.34Å
73	G	71.6	Confident	85.8	Confident	4 Å²	4	43.5 Å²	43.5	4%	0.041	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	107.8	-4.5	-177.9	0	0	0	0	0	113.9	L68 G71 R138 R139	L68-G73 WeakPolarHBondContact CD2-O 3.1Å; L68-G73 WeakPolarHBondContact O-CA 3.24Å; L68-G73 PolarHBondContact O-N 3.31Å; G71-G73 PolarHBondContact O-N 3.48Å; G71-G73 VanDerWaalsContact O-N 3.11Å; G73-R138 CarbonylContact O-C 3.56Å; G73-R138 WeakPolarHBondContact O-CA 3.11Å; G73-R139 WeakPolarHBondContact O-CB 2.93Å; G73-R139 PolarHBondContact O-N 3.32Å
74	E	81.3	Confident	85.6	Confident	50 Å²	50	46 Å²	46	23%	0.234	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	145.9	177.4	-60.1	-167.1	141.7	0	0	111.5	N42 G71 L136 I137 R138	N42-E74 WeakPolarHBondContact CB-O 3.45Å; G71-E74 VanDerWaalsContact CA-O 3.27Å; G71-E74 WeakPolarHBondContact CA-O 3.33Å; G71-E74 PolarHBondContact O-N 3.3Å; E74-L136 HydrophobicContact CB-CD1 4.21Å; E74-I137 CarbonylContact C-O 3.5Å; E74-I137 WeakPolarHBondContact CA-O 3.48Å; E74-R138 HydrophobicContact CG-CG 4.3Å; E74-R138 IonicContact OE1-CZ 2.91Å; E74-R138 IonicContact OE1-NE 2.61Å; E74-R138 PolarHBondContact OE1-NE 3.38Å; E74-R138 IonicContact OE1-NH2 3.75Å; E74-R138 PolarHBondContact OE1-NH2 2.9Å
75	A	88.8	Confident	85.4	Confident	0 Å²	0	46 Å²	46	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	141.2	170.8	0	0	0	0	0	109.8	N42 R67 L68 Y77 I137	N42-A75 CarbonylContact O-C 3.09Å; N42-A75 WeakPolarHBondContact O-CA 3.43Å; R67-A75 HydrophobicContact CB-CB 3.8Å; L68-A75 HydrophobicContact CD2-CB 3.93Å; L68-A75 HydrophobicContact CG-CB 4.12Å; A75-Y77 HydrophobicContact CB-CD2 4.32Å; A75-Y77 HydrophobicContact CB-CE2 4.01Å; A75-I137 HydrophobicContact CB-CB 4.37Å; A75-I137 PolarHBondContact N-O 2.64Å; A75-I137 PolarHBondContact O-N 3.17Å
76	V	89.9	Confident	85.5	Confident	23 Å²	23	44 Å²	44	14%	0.139	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	125.1	176.3	-178.9	0	0	0	0	108.2	N42 V43 E44 E134 F135 L136	N42-V76 PolarHBondContact O-N 3.24Å; V43-V76 CarbonylContact C-O 3.57Å; V43-V76 WeakPolarHBondContact CA-O 3.41Å; V43-V76 HydrophobicContact CG2-CB 4.3Å; E44-V76 PolarHBondContact N-O 3.4Å; V76-E134 HydrophobicContact CG1-CG 3.48Å; V76-E134 VanDerWaalsContact CG1-CG 3.48Å; V76-F135 CarbonylContact C-O 3.46Å; V76-F135 WeakPolarHBondContact CA-O 3.47Å; V76-L136 HydrophobicContact CG2-CD1 4.43Å
77	Y	93.9	Very high	85.6	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	121.3	177.9	-87.6	-109.7	0	0	0	109.8	E44 Q63 M64 A75 L102 M105 F135 I137	E44-Y77 HydrophobicContact CB-CD1 4.07Å; E44-Y77 HydrophobicContact CB-CD2 4.27Å; E44-Y77 HydrophobicContact CB-CE1 3.92Å; E44-Y77 HydrophobicContact CB-CE2 4.12Å; E44-Y77 HydrophobicContact CB-CG 4.26Å; E44-Y77 HydrophobicContact CG-CD1 4.15Å; E44-Y77 HydrophobicContact CG-CE1 3.73Å; E44-Y77 WeakPolarHBondContact O-CA 3.35Å; Q63-Y77 PolarHBondContact OE1-OH 2.89Å; M64-Y77 WeakPolarHBondContact CA-OH 3.41Å; M64-Y77 WeakPolarHBondContact CB-OH 3.22Å; M64-Y77 HydrophobicContact CG-CE2 4.16Å; M64-Y77 PolarHBondContact N-OH 2.91Å; A75-Y77 HydrophobicContact CB-CD2 4.32Å; A75-Y77 HydrophobicContact CB-CE2 4.01Å; Y77-L102 HydrophobicContact CD1-CD1 3.65Å; Y77-L102 HydrophobicContact CE1-CD1 4.05Å; Y77-L102 HydrophobicContact CG-CD1 4Å; Y77-M105 HydrophobicContact CE1-CE 4.41Å; Y77-F135 PolarHBondContact N-O 3.36Å; Y77-F135 PolarHBondContact O-N 2.99Å; Y77-I137 HydrophobicContact CD1-CD1 4.5Å; Y77-I137 HydrophobicContact CD2-CD1 3.27Å; Y77-I137 HydrophobicContact CD2-CG1 3.77Å; Y77-I137 HydrophobicContact CE2-CD1 3.42Å; Y77-I137 VanDerWaalsContact CE2-CD1 3.42Å; Y77-I137 HydrophobicContact CE2-CG1 4.24Å; Y77-I137 HydrophobicContact CG-CD1 3.85Å; Y77-I137 HydrophobicContact CG-CG1 4.45Å
78	E	92.6	Very high	85.4	Confident	6 Å²	6	44.9 Å²	44.9	3%	0.028	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	113.3	173.9	-65	-177.3	-152.9	0	0	109.8	M34 E44 Y45 K46 V81 A133	M34-E78 WeakPolarHBondContact CE-OE1 3.34Å; M34-E78 WeakPolarHBondContact CE-OE2 3.46Å; E44-E78 PolarHBondContact O-N 3.2Å; Y45-E78 HydrophobicContact CD1-CB 3.74Å; Y45-E78 HydrophobicContact CD1-CG 4.03Å; Y45-E78 HydrophobicContact CE1-CB 4.12Å; Y45-E78 HydrophobicContact CE1-CG 3.93Å; Y45-E78 WeakPolarHBondContact CE1-OE1 3.19Å; Y45-E78 WeakPolarHBondContact CE1-OE2 3.35Å; K46-E78 PolarHBondContact N-O 3.38Å; E78-V81 HydrophobicContact CB-CB 4.15Å; E78-V81 HydrophobicContact CB-CG2 3.86Å; E78-A133 WeakPolarHBondContact CA-O 3.34Å
79	I	94.5	Very high	85.6	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	128.6	-177.6	-58.4	-58.5	0	0	0	109	K46 L49 L90 L102 V132 A133 F135	K46-I79 HydrophobicContact CB-CD1 4.03Å; K46-I79 WeakPolarHBondContact O-CA 3.46Å; L49-I79 HydrophobicContact CD1-CD1 3.88Å; L49-I79 HydrophobicContact CG-CD1 4.47Å; I79-L90 HydrophobicContact CG2-CD1 3.63Å; I79-L102 HydrophobicContact CG1-CD2 4.49Å; I79-V132 VanDerWaalsContact O-CA 3.32Å; I79-V132 WeakPolarHBondContact O-CA 3.27Å; I79-A133 PolarHBondContact N-O 3.04Å; I79-A133 PolarHBondContact O-N 3.38Å; I79-F135 HydrophobicContact CB-CD2 4.37Å; I79-F135 HydrophobicContact CB-CE2 4.15Å; I79-F135 HydrophobicContact CG1-CD2 3.71Å; I79-F135 HydrophobicContact CG1-CE2 3.82Å
80	G	92.2	Very high	86.1	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.8	5.7	-174.4	0	0	0	0	0	114	K46 L47 R88 G89	K46-G80 PolarHBondContact O-N 2.76Å; L47-G80 VanDerWaalsContact O-CA 3.32Å; L47-G80 WeakPolarHBondContact O-CA 3.23Å; L47-G80 PolarHBondContact O-N 2.93Å; G80-R88 PolarHBondContact O-N 3.34Å; G80-R88 VanDerWaalsContact O-N 3.11Å; G80-G89 PolarHBondContact O-N 2.97Å
81	V	90.9	Very high	86.5	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-109.1	136.5	178.6	-171.1	0	0	0	0	109.3	M34 Y45 K46 L47 E78 V132	M34-V81 HydrophobicContact CG-CG1 4.27Å; Y45-V81 HydrophobicContact CD2-CG1 3.84Å; Y45-V81 HydrophobicContact CE2-CG1 4.16Å; Y45-V81 HydrophobicContact CG-CB 4.43Å; Y45-V81 HydrophobicContact CG-CG1 4.1Å; K46-V81 CarbonylContact C-O 3.51Å; L47-V81 WeakPolarHBondContact CA-O 3.32Å; L47-V81 PolarHBondContact N-O 2.94Å; E78-V81 HydrophobicContact CB-CB 4.15Å; E78-V81 HydrophobicContact CB-CG2 3.86Å; V81-V132 HydrophobicContact CG2-CG1 3.48Å; V81-V132 VanDerWaalsContact CG2-CG1 3.48Å
82	Q	89.9	Confident	87.2	Confident	58 Å²	58	42 Å²	42	27%	0.271	20%	0.201	S	C	.	.			trans	-81.3	158.1	173	-69.2	-179.9	37.7	0	0	110.7	Y45 L47 N84 G85 I86	Y45-Q82 WeakPolarHBondContact CD2-O 3.33Å; L47-Q82 HydrophobicContact CD1-CG 4.27Å; L47-Q82 HydrophobicContact CD2-CG 4.38Å; Q82-N84 WeakPolarHBondContact CB-OD1 3.41Å; Q82-N84 PolarHBondContact O-N 3.47Å; Q82-G85 WeakPolarHBondContact O-CA 3.45Å; Q82-G85 PolarHBondContact O-N 3.23Å; Q82-I86 HydrophobicContact CB-CB 4.46Å; Q82-I86 PolarHBondContact N-O 3.21Å
83	D	85.9	Confident	88.1	Confident	98 Å²	98	42.7 Å²	42.7	52%	0.524	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-21.9	-179.9	-50.7	-0.4	0	0	0	113.1	E37 G85	E37-D83 WeakPolarHBondContact CB-O 3.33Å; E37-D83 PolarHBondContact N-O 2.84Å; D83-G85 VanDerWaalsContact C-N 3.3Å
84	N	87.3	Confident	89.1	Confident	80 Å²	80	44.4 Å²	44.4	43%	0.428	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	4.2	173.8	65	0.8	0	0	0	114.5	Q82 I86	Q82-N84 WeakPolarHBondContact CB-OD1 3.41Å; Q82-N84 PolarHBondContact O-N 3.47Å; N84-I86 VanDerWaalsContact ND2-CD1 3.31Å; N84-I86 WeakPolarHBondContact ND2-CD1 3.17Å; N84-I86 WeakPolarHBondContact OD1-CB 3.38Å; N84-I86 WeakPolarHBondContact OD1-CG1 3.47Å; N84-I86 PolarHBondContact OD1-N 2.92Å; N84-I86 VanDerWaalsContact OD1-N 3.13Å
85	G	85.4	Confident	89.7	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	86.2	2.5	-180	0	0	0	0	0	115.4	M34 Q82 D83 C87	M34-G85 WeakPolarHBondContact CB-O 3.45Å; M34-G85 PolarHBondContact N-O 3.11Å; M34-G85 WeakPolarHBondContact O-CA 3.44Å; Q82-G85 WeakPolarHBondContact O-CA 3.45Å; Q82-G85 PolarHBondContact O-N 3.23Å; D83-G85 VanDerWaalsContact C-N 3.3Å; G85-C87 PolarHBondContact O-N 3.29Å
86	I	86.9	Confident	89.8	Confident	67 Å²	67	46.2 Å²	46.2	34%	0.344	22%	0.217	S	C	.	.	B	Isolated β-bridge	trans	-73.6	120.4	178.8	-62.4	175.8	0	0	0	110.7	N33 Q82 N84 R88	N33-I86 WeakPolarHBondContact OD1-CA 3.42Å; Q82-I86 HydrophobicContact CB-CB 4.46Å; Q82-I86 PolarHBondContact N-O 3.21Å; N84-I86 VanDerWaalsContact ND2-CD1 3.31Å; N84-I86 WeakPolarHBondContact ND2-CD1 3.17Å; N84-I86 WeakPolarHBondContact OD1-CB 3.38Å; N84-I86 WeakPolarHBondContact OD1-CG1 3.47Å; N84-I86 PolarHBondContact OD1-N 2.92Å; N84-I86 VanDerWaalsContact OD1-N 3.13Å; I86-R88 PolarHBondContact O-N 2.94Å
87	C	86	Confident	89.9	Confident	10 Å²	10	45.7 Å²	45.7	7%	0.068	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-77.4	81.9	175.4	-65.4	0	0	0	0	110.6	E32 G85 G89 V122 V132	E32-C87 VanDerWaalsContact O-CB 3.23Å; E32-C87 WeakPolarHBondContact O-CB 3.27Å; E32-C87 PolarHBondContact O-SG 2.96Å; G85-C87 PolarHBondContact O-N 3.29Å; C87-G89 VanDerWaalsContact C-N 3.34Å; C87-V122 HydrophobicContact CB-CG2 4.35Å; C87-V122 WeakPolarHBondContact O-CG1 3.45Å; C87-V132 HydrophobicContact CB-CG2 4.09Å
88	R	85.6	Confident	89.9	Confident	154 Å²	154	45.7 Å²	45.7	58%	0.581	21%	0.214	S	C	*	.			trans	-72.4	-31.8	178.4	-175.7	171.7	176.9	163.8	3.3	112.2	L47 G80 I86 L130	L47-R88 HydrophobicContact CD1-CB 3.72Å; L47-R88 HydrophobicContact CD1-CG 4.2Å; G80-R88 PolarHBondContact O-N 3.34Å; G80-R88 VanDerWaalsContact O-N 3.11Å; I86-R88 PolarHBondContact O-N 2.94Å; R88-L130 WeakPolarHBondContact O-CD1 3.49Å
89	G	87.3	Confident	89.8	Confident	4 Å²	4	46 Å²	46	4%	0.041	22%	0.216	C	C	.	.			trans	70.7	164.3	-172.8	0	0	0	0	0	113.5	G80 C87 K131	G80-G89 PolarHBondContact O-N 2.97Å; C87-G89 VanDerWaalsContact C-N 3.34Å; G89-K131 CarbonylContact C-O 3.54Å; G89-K131 VanDerWaalsContact CA-O 3.3Å; G89-K131 WeakPolarHBondContact CA-O 3.34Å
90	L	91.1	Very high	89.5	Confident	3 Å²	3	50.9 Å²	50.9	2%	0.016	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-123.3	146.2	-178.2	-66.4	-178.8	0	0	0	112.1	L47 K48 I79 E94 F95 L130 K131	L47-L90 HydrophobicContact CD1-CD2 4.46Å; L47-L90 WeakPolarHBondContact O-CD1 3.3Å; L47-L90 VanDerWaalsContact O-CD2 3.26Å; L47-L90 WeakPolarHBondContact O-CD2 3.35Å; L47-L90 WeakPolarHBondContact O-CG 3.3Å; K48-L90 HydrophobicContact CB-CD1 4.26Å; K48-L90 HydrophobicContact CB-CD2 3.87Å; K48-L90 HydrophobicContact CD-CD2 4.48Å; I79-L90 HydrophobicContact CG2-CD1 3.63Å; L90-E94 HydrophobicContact CB-CB 4.06Å; L90-E94 HydrophobicContact CD1-CB 4.4Å; L90-E94 HydrophobicContact CD2-CB 4.07Å; L90-E94 HydrophobicContact CG-CB 4.42Å; L90-F95 HydrophobicContact CB-CB 4.12Å; L90-L130 CarbonylContact O-C 3.52Å; L90-L130 WeakPolarHBondContact O-CA 3.42Å; L90-K131 PolarHBondContact N-O 3.36Å; L90-K131 PolarHBondContact O-N 2.68Å
91	T	90.7	Very high	89.5	Confident	32 Å²	32	51.3 Å²	51.3	20%	0.196	25%	0.245	C	C	.	.			trans	-61.3	159.2	166.2	64	0	0	0	0	110.1	Y93 E94 F95 E128 L130	T91-Y93 VanDerWaalsContact C-N 3.26Å; T91-Y93 PolarHBondContact O-N 3.43Å; T91-E94 PolarHBondContact N-OE2 3.15Å; T91-E94 PolarHBondContact O-N 2.91Å; T91-E94 VanDerWaalsContact O-N 3.13Å; T91-E94 WeakPolarHBondContact OG1-CB 3.43Å; T91-E94 VanDerWaalsContact OG1-CG 3.28Å; T91-E94 WeakPolarHBondContact OG1-CG 3.06Å; T91-E94 PolarHBondContact OG1-N 3.15Å; T91-E94 PolarHBondContact OG1-OE2 2.84Å; T91-E94 VanDerWaalsContact OG1-OE2 3.1Å; T91-F95 WeakPolarHBondContact O-CB 3.48Å; T91-F95 PolarHBondContact O-N 2.74Å; T91-E128 VanDerWaalsContact CG2-OE2 3.3Å; T91-E128 WeakPolarHBondContact CG2-OE2 3.33Å; T91-L130 HydrophobicContact CG2-CD2 3.95Å
92	K	88.8	Confident	89.4	Confident	147 Å²	147	51.3 Å²	51.3	64%	0.639	25%	0.245	S	C	*	.	H	α-helix	trans	-53.4	-43.6	179.6	-175.2	177.8	179.2	-178.6	0	112.6	F95 D96	K92-F95 PolarHBondContact O-N 3.32Å; K92-D96 WeakPolarHBondContact O-CB 3.34Å; K92-D96 VanDerWaalsContact O-CG 3.25Å; K92-D96 PolarHBondContact O-N 3.28Å
93	Y	89.8	Confident	89.2	Confident	161 Å²	161	53.9 Å²	53.9	63%	0.631	26%	0.255	S	S	*	.	H	α-helix	trans	-63.9	-46.3	178.5	175	-97.2	0	0	0	112.3	T91 F95 S97	T91-Y93 VanDerWaalsContact C-N 3.26Å; T91-Y93 PolarHBondContact O-N 3.43Å; Y93-F95 VanDerWaalsContact C-N 3.33Å; Y93-F95 PolarHBondContact O-N 2.89Å; Y93-S97 VanDerWaalsContact O-CB 3.32Å; Y93-S97 WeakPolarHBondContact O-CB 3.27Å; Y93-S97 PolarHBondContact O-N 2.97Å
94	E	92.7	Very high	89	Confident	39 Å²	39	55.2 Å²	55.2	18%	0.182	25%	0.253	C	S	.	.	H	α-helix	trans	-66.9	-37.5	179.8	-70.7	178.3	126.7	0	0	112	K48 L50 L90 T91 S98	K48-E94 WeakPolarHBondContact CD-OE1 3.19Å; K48-E94 IonicContact NZ-OE1 3.3Å; K48-E94 PolarHBondContact NZ-OE1 2.85Å; L50-E94 HydrophobicContact CD1-CG 4.25Å; L50-E94 HydrophobicContact CD2-CB 4.03Å; L50-E94 HydrophobicContact CD2-CG 4.07Å; L90-E94 HydrophobicContact CB-CB 4.06Å; L90-E94 HydrophobicContact CD1-CB 4.4Å; L90-E94 HydrophobicContact CD2-CB 4.07Å; L90-E94 HydrophobicContact CG-CB 4.42Å; T91-E94 PolarHBondContact N-OE2 3.15Å; T91-E94 PolarHBondContact O-N 2.91Å; T91-E94 VanDerWaalsContact O-N 3.13Å; T91-E94 WeakPolarHBondContact OG1-CB 3.43Å; T91-E94 VanDerWaalsContact OG1-CG 3.28Å; T91-E94 WeakPolarHBondContact OG1-CG 3.06Å; T91-E94 PolarHBondContact OG1-N 3.15Å; T91-E94 PolarHBondContact OG1-OE2 2.84Å; T91-E94 VanDerWaalsContact OG1-OE2 3.1Å; E94-S98 VanDerWaalsContact O-CB 3.27Å; E94-S98 WeakPolarHBondContact O-CB 3.46Å; E94-S98 PolarHBondContact O-N 3.33Å; E94-S98 PolarHBondContact O-OG 2.93Å
95	F	93.1	Very high	89	Confident	12 Å²	12	51.4 Å²	51.4	5%	0.053	23%	0.233	C	C	.	.	H	α-helix	trans	-62.3	-55.3	175.5	-173.9	-96.4	0	0	0	110.9	L90 T91 K92 Y93 S97 S98 V99 K131 A133 F135	L90-F95 HydrophobicContact CB-CB 4.12Å; T91-F95 WeakPolarHBondContact O-CB 3.48Å; T91-F95 PolarHBondContact O-N 2.74Å; K92-F95 PolarHBondContact O-N 3.32Å; Y93-F95 VanDerWaalsContact C-N 3.33Å; Y93-F95 PolarHBondContact O-N 2.89Å; F95-S97 VanDerWaalsContact C-N 3.29Å; F95-S97 PolarHBondContact O-N 3.49Å; F95-S98 PolarHBondContact O-N 3.01Å; F95-S98 VanDerWaalsContact O-N 3.07Å; F95-V99 HydrophobicContact CD1-CG2 4.11Å; F95-V99 HydrophobicContact CE1-CG2 3.82Å; F95-V99 HydrophobicContact CE2-CG2 4.46Å; F95-V99 HydrophobicContact CZ-CG2 4.02Å; F95-V99 WeakPolarHBondContact O-CG2 3.41Å; F95-V99 PolarHBondContact O-N 3.12Å; F95-K131 HydrophobicContact CD1-CD 4.32Å; F95-K131 HydrophobicContact CD2-CB 3.86Å; F95-K131 HydrophobicContact CE2-CB 4.17Å; F95-K131 HydrophobicContact CG-CB 4.27Å; F95-K131 HydrophobicContact CG-CD 4.32Å; F95-A133 HydrophobicContact CE2-CB 3.45Å; F95-A133 VanDerWaalsContact CE2-CB 3.45Å; F95-A133 HydrophobicContact CZ-CB 3.59Å; F95-F135 HydrophobicContact CZ-CE2 4.4Å; F95-F135 HydrophobicContact CZ-CZ 4.11Å
96	D	91	Very high	88.7	Confident	76 Å²	76	51.5 Å²	51.5	41%	0.406	23%	0.233	S	C	.	.	H	α-helix	trans	-59.3	-41.3	-179.5	-70.2	-21.7	0	0	0	111.4	K92 N100	K92-D96 WeakPolarHBondContact O-CB 3.34Å; K92-D96 VanDerWaalsContact O-CG 3.25Å; K92-D96 PolarHBondContact O-N 3.28Å; D96-N100 WeakPolarHBondContact O-CB 3.46Å; D96-N100 PolarHBondContact O-N 2.78Å; D96-N100 PolarHBondContact O-ND2 2.82Å; D96-N100 VanDerWaalsContact O-ND2 3.12Å
97	S	92	Very high	87.9	Confident	12 Å²	12	51.5 Å²	51.5	8%	0.084	24%	0.243	C	C	.	.	H	α-helix	trans	-63.6	-43.3	175.1	-175.5	0	0	0	0	112	Y93 F95 N100 T101	Y93-S97 VanDerWaalsContact O-CB 3.32Å; Y93-S97 WeakPolarHBondContact O-CB 3.27Å; Y93-S97 PolarHBondContact O-N 2.97Å; F95-S97 VanDerWaalsContact C-N 3.29Å; F95-S97 PolarHBondContact O-N 3.49Å; S97-N100 PolarHBondContact O-N 3.28Å; S97-T101 PolarHBondContact O-N 3.39Å; S97-T101 PolarHBondContact O-OG1 2.97Å
98	S	94.5	Very high	87.3	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-66	-42.4	179.5	-60	0	0	0	0	112.2	L49 E94 F95 N100 T101 L102	L49-S98 PolarHBondContact N-OG 3.48Å; E94-S98 VanDerWaalsContact O-CB 3.27Å; E94-S98 WeakPolarHBondContact O-CB 3.46Å; E94-S98 PolarHBondContact O-N 3.33Å; E94-S98 PolarHBondContact O-OG 2.93Å; F95-S98 PolarHBondContact O-N 3.01Å; F95-S98 VanDerWaalsContact O-N 3.07Å; S98-N100 VanDerWaalsContact C-N 3.34Å; S98-N100 PolarHBondContact O-N 3.05Å; S98-T101 PolarHBondContact O-N 3.26Å; S98-L102 WeakPolarHBondContact O-CB 3.45Å; S98-L102 PolarHBondContact O-N 3.47Å
99	V	90.8	Very high	86.3	Confident	13 Å²	13	48.8 Å²	48.8	8%	0.079	24%	0.237	C	C	.	.	H	α-helix	trans	-63.3	-40.9	175.7	174.4	0	0	0	0	111.2	F95 L102 K103 F135	F95-V99 HydrophobicContact CD1-CG2 4.11Å; F95-V99 HydrophobicContact CE1-CG2 3.82Å; F95-V99 HydrophobicContact CE2-CG2 4.46Å; F95-V99 HydrophobicContact CZ-CG2 4.02Å; F95-V99 WeakPolarHBondContact O-CG2 3.41Å; F95-V99 PolarHBondContact O-N 3.12Å; V99-L102 PolarHBondContact O-N 3.33Å; V99-K103 HydrophobicContact CG1-CD 4.16Å; V99-K103 WeakPolarHBondContact O-CB 3.26Å; V99-K103 WeakPolarHBondContact O-CG 3.47Å; V99-K103 PolarHBondContact O-N 2.81Å; V99-F135 HydrophobicContact CB-CZ 4.43Å; V99-F135 HydrophobicContact CG1-CE1 4.27Å; V99-F135 HydrophobicContact CG1-CZ 4.28Å; V99-F135 HydrophobicContact CG2-CE1 4.18Å; V99-F135 HydrophobicContact CG2-CE2 3.95Å; V99-F135 HydrophobicContact CG2-CZ 3.38Å
100	N	88.4	Confident	84.7	Confident	103 Å²	103	53.4 Å²	53.4	55%	0.551	26%	0.26	S	S	*	.	H	α-helix	trans	-64.2	-41.2	175.8	-74.5	-27.1	0	0	0	111.9	D96 S97 S98 K103 R104	D96-N100 WeakPolarHBondContact O-CB 3.46Å; D96-N100 PolarHBondContact O-N 2.78Å; D96-N100 PolarHBondContact O-ND2 2.82Å; D96-N100 VanDerWaalsContact O-ND2 3.12Å; S97-N100 PolarHBondContact O-N 3.28Å; S98-N100 VanDerWaalsContact C-N 3.34Å; S98-N100 PolarHBondContact O-N 3.05Å; N100-K103 PolarHBondContact O-N 3.08Å; N100-R104 WeakPolarHBondContact O-CB 3.47Å; N100-R104 PolarHBondContact O-N 3.16Å
101	T	90.8	Very high	83.6	Confident	8 Å²	8	55.6 Å²	55.6	5%	0.049	27%	0.272	C	S	.	.	H	α-helix	trans	-63	-43.3	173.4	-61.6	0	0	0	0	111.7	L49 P52 L57 S97 S98 R104 M105	L49-T101 HydrophobicContact CB-CG2 3.93Å; L49-T101 WeakPolarHBondContact O-CB 3.3Å; L49-T101 PolarHBondContact O-OG1 2.85Å; P52-T101 HydrophobicContact CG-CG2 3.54Å; L57-T101 HydrophobicContact CD1-CG2 4.43Å; S97-T101 PolarHBondContact O-N 3.39Å; S97-T101 PolarHBondContact O-OG1 2.97Å; S98-T101 PolarHBondContact O-N 3.26Å; T101-R104 WeakPolarHBondContact O-CB 3.33Å; T101-R104 PolarHBondContact O-N 3.13Å; T101-R104 VanDerWaalsContact O-N 3.15Å; T101-M105 HydrophobicContact CG2-SD 4.04Å; T101-M105 WeakPolarHBondContact O-CG 3.38Å; T101-M105 PolarHBondContact O-N 3.48Å
102	L	90.1	Very high	82.8	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.1	-47.1	178	-166.5	67.7	0	0	0	111.6	L49 M64 Y77 I79 S98 V99 R104 M105 A106 V114 F135 I137	L49-L102 HydrophobicContact CD1-CB 4.48Å; L49-L102 HydrophobicContact CD1-CD1 4.09Å; M64-L102 HydrophobicContact CE-CD1 3.88Å; Y77-L102 HydrophobicContact CD1-CD1 3.65Å; Y77-L102 HydrophobicContact CE1-CD1 4.05Å; Y77-L102 HydrophobicContact CG-CD1 4Å; I79-L102 HydrophobicContact CG1-CD2 4.49Å; S98-L102 WeakPolarHBondContact O-CB 3.45Å; S98-L102 PolarHBondContact O-N 3.47Å; V99-L102 PolarHBondContact O-N 3.33Å; L102-R104 VanDerWaalsContact C-N 3.27Å; L102-R104 PolarHBondContact O-N 3.46Å; L102-M105 HydrophobicContact CD1-CE 4.39Å; L102-M105 WeakPolarHBondContact O-CB 3.39Å; L102-M105 PolarHBondContact O-N 2.86Å; L102-A106 PolarHBondContact O-N 3.15Å; L102-V114 HydrophobicContact CD2-CG1 3.83Å; L102-V114 HydrophobicContact CG-CG1 4.26Å; L102-F135 HydrophobicContact CD2-CB 3.79Å; L102-F135 HydrophobicContact CD2-CD1 4.22Å; L102-F135 HydrophobicContact CD2-CD2 3.98Å; L102-F135 HydrophobicContact CD2-CG 3.73Å; L102-I137 HydrophobicContact CD1-CD1 3.8Å; L102-I137 HydrophobicContact CD2-CD1 4.49Å; L102-I137 HydrophobicContact CG-CD1 4.16Å
103	K	84.5	Confident	82.1	Confident	113 Å²	113	49 Å²	49	49%	0.491	25%	0.247	S	C	.	.	H	α-helix	trans	-59.8	-38.5	174	-73.7	174.9	179.7	175.4	0	111.7	V99 N100 A107 V114	V99-K103 HydrophobicContact CG1-CD 4.16Å; V99-K103 WeakPolarHBondContact O-CB 3.26Å; V99-K103 WeakPolarHBondContact O-CG 3.47Å; V99-K103 PolarHBondContact O-N 2.81Å; N100-K103 PolarHBondContact O-N 3.08Å; K103-A107 VanDerWaalsContact O-CB 3.27Å; K103-A107 WeakPolarHBondContact O-CB 3.39Å; K103-A107 PolarHBondContact O-N 3.34Å; K103-V114 HydrophobicContact CG-CB 4.41Å
104	R	82.7	Confident	81.7	Confident	126 Å²	126	42.6 Å²	42.6	48%	0.475	22%	0.224	S	C	.	.	H	α-helix	trans	-66.9	-42.6	176.5	-176.1	178.4	168.2	-164.7	-7	112.1	L57 N100 T101 L102 A107 E108	L57-R104 VanDerWaalsContact CD2-NH2 3.25Å; N100-R104 WeakPolarHBondContact O-CB 3.47Å; N100-R104 PolarHBondContact O-N 3.16Å; T101-R104 WeakPolarHBondContact O-CB 3.33Å; T101-R104 PolarHBondContact O-N 3.13Å; T101-R104 VanDerWaalsContact O-N 3.15Å; L102-R104 VanDerWaalsContact C-N 3.27Å; L102-R104 PolarHBondContact O-N 3.46Å; R104-A107 PolarHBondContact O-N 3.38Å; R104-E108 IonicContact CZ-OE1 2.74Å; R104-E108 IonicContact NE-OE1 2.76Å; R104-E108 PolarHBondContact NE-OE1 3.04Å; R104-E108 IonicContact NH2-OE1 2.77Å; R104-E108 PolarHBondContact O-N 2.94Å
105	M	86.5	Confident	81	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-58.3	-49.3	174.6	-69.4	158.6	56.9	0	0	110.8	L49 L57 L60 I61 M64 Y77 T101 L102 A107 E108 L109	L49-M105 HydrophobicContact CD1-SD 4.28Å; L57-M105 HydrophobicContact CD1-CG 3.54Å; L60-M105 HydrophobicContact CB-CE 3.61Å; L60-M105 HydrophobicContact CB-CG 4.41Å; L60-M105 HydrophobicContact CB-SD 3.85Å; L60-M105 HydrophobicContact CD1-SD 4.16Å; L60-M105 HydrophobicContact CG-CE 4.5Å; I61-M105 HydrophobicContact CG1-CB 4.02Å; I61-M105 HydrophobicContact CG1-CG 4.05Å; M64-M105 HydrophobicContact CB-CE 4.37Å; M64-M105 HydrophobicContact CE-CB 3.45Å; M64-M105 VanDerWaalsContact CE-CB 3.45Å; M64-M105 HydrophobicContact CE-CE 3.35Å; M64-M105 HydrophobicContact CE-CG 4.38Å; M64-M105 HydrophobicContact CE-SD 4.3Å; M64-M105 HydrophobicContact SD-CB 4.37Å; Y77-M105 HydrophobicContact CE1-CE 4.41Å; T101-M105 HydrophobicContact CG2-SD 4.04Å; T101-M105 WeakPolarHBondContact O-CG 3.38Å; T101-M105 PolarHBondContact O-N 3.48Å; L102-M105 HydrophobicContact CD1-CE 4.39Å; L102-M105 WeakPolarHBondContact O-CB 3.39Å; L102-M105 PolarHBondContact O-N 2.86Å; M105-A107 VanDerWaalsContact C-N 3.35Å; M105-A107 PolarHBondContact O-N 3.24Å; M105-E108 PolarHBondContact O-N 2.73Å; M105-L109 WeakPolarHBondContact O-CG 2.97Å; M105-L109 PolarHBondContact O-N 3.31Å; M105-L109 VanDerWaalsContact O-N 3.14Å
106	A	80	Confident	80.6	Confident	2 Å²	2	44.1 Å²	44.1	2%	0.017	24%	0.235	C	C	.	.	H	α-helix	trans	-64.2	-37.8	178.3	0	0	0	0	0	112.8	M64 L102 L109 A112 V114	M64-A106 HydrophobicContact SD-CB 4.38Å; L102-A106 PolarHBondContact O-N 3.15Å; A106-L109 WeakPolarHBondContact O-CB 3.47Å; A106-L109 PolarHBondContact O-N 3.14Å; A106-A112 HydrophobicContact CB-CB 3.94Å; A106-V114 HydrophobicContact CB-CG2 3.35Å
107	A	70.4	Confident	80.1	Confident	67 Å²	67	44.2 Å²	44.2	55%	0.554	24%	0.235	S	C	*	.	H	α-helix	trans	-66.8	-37.5	174.8	0	0	0	0	0	112.8	K103 R104 M105 L109 L110	K103-A107 VanDerWaalsContact O-CB 3.27Å; K103-A107 WeakPolarHBondContact O-CB 3.39Å; K103-A107 PolarHBondContact O-N 3.34Å; R104-A107 PolarHBondContact O-N 3.38Å; M105-A107 VanDerWaalsContact C-N 3.35Å; M105-A107 PolarHBondContact O-N 3.24Å; A107-L109 VanDerWaalsContact C-N 3.26Å; A107-L109 PolarHBondContact O-N 3.27Å; A107-L110 WeakPolarHBondContact O-CA 3.25Å; A107-L110 PolarHBondContact O-N 3.25Å
108	E	71.8	Confident	79.6	Confident	76 Å²	76	48.9 Å²	48.9	36%	0.355	25%	0.251	S	S	.	.	H	α-helix	trans	-68.6	-24.5	174.6	-77.5	-170.6	-158.8	0	0	112.6	L57 Q58 I61 R104 M105 L110	L57-E108 VanDerWaalsContact CD2-OE1 3.23Å; L57-E108 WeakPolarHBondContact CD2-OE1 3.4Å; Q58-E108 PolarHBondContact NE2-OE2 3.22Å; I61-E108 HydrophobicContact CD1-CB 3.65Å; I61-E108 HydrophobicContact CD1-CG 4.26Å; I61-E108 WeakPolarHBondContact CD1-OE2 3.48Å; R104-E108 IonicContact CZ-OE1 2.74Å; R104-E108 IonicContact NE-OE1 2.76Å; R104-E108 PolarHBondContact NE-OE1 3.04Å; R104-E108 IonicContact NH2-OE1 2.77Å; R104-E108 PolarHBondContact O-N 2.94Å; M105-E108 PolarHBondContact O-N 2.73Å; E108-L110 PolarHBondContact O-N 2.91Å
109	L	64.3	Low	79.2	Confident	30 Å²	30	53.1 Å²	53.1	16%	0.157	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-7	168.4	-67	178.6	0	0	0	113.5	I61 M64 K65 L68 M105 A106 A107 N111 A112	I61-L109 HydrophobicContact CG2-CD2 3.46Å; I61-L109 VanDerWaalsContact CG2-CD2 3.46Å; I61-L109 HydrophobicContact CG2-CG 4.11Å; M64-L109 HydrophobicContact CB-CD1 4.3Å; M64-L109 HydrophobicContact CG-CD1 3.91Å; M64-L109 HydrophobicContact SD-CD1 3.42Å; M64-L109 WeakPolarHBondContact SD-CD1 3.23Å; K65-L109 HydrophobicContact CD-CD2 3.86Å; K65-L109 HydrophobicContact CG-CD1 4.46Å; K65-L109 HydrophobicContact CG-CD2 3.45Å; K65-L109 VanDerWaalsContact CG-CD2 3.45Å; L68-L109 HydrophobicContact CD1-CD1 3.91Å; M105-L109 WeakPolarHBondContact O-CG 2.97Å; M105-L109 PolarHBondContact O-N 3.31Å; M105-L109 VanDerWaalsContact O-N 3.14Å; A106-L109 WeakPolarHBondContact O-CB 3.47Å; A106-L109 PolarHBondContact O-N 3.14Å; A107-L109 VanDerWaalsContact C-N 3.26Å; A107-L109 PolarHBondContact O-N 3.27Å; L109-N111 PolarHBondContact O-N 3.46Å; L109-A112 HydrophobicContact CB-CB 4.22Å; L109-A112 HydrophobicContact CD1-CB 4.23Å
110	L	55.2	Low	78.9	Confident	101 Å²	101	54.5 Å²	54.5	53%	0.529	28%	0.276	S	S	.	.	S	Bend	trans	62.6	-35.4	-175.3	-69.6	154.3	0	0	0	114.7	A107 E108 Q455	A107-L110 WeakPolarHBondContact O-CA 3.25Å; A107-L110 PolarHBondContact O-N 3.25Å; E108-L110 PolarHBondContact O-N 2.91Å; L110-Q455 PolarHBondContact O-NE2 3.32Å
111	N	66.8	Low	78.8	Confident	49 Å²	49	54 Å²	54	26%	0.262	27%	0.272	S	S	.	.	S	Bend	trans	-124.5	38.5	-167	-70.7	6.4	0	0	0	111.5	L109 R139 I140 D142	L109-N111 PolarHBondContact O-N 3.46Å; N111-R139 CarbonylContact O-C 3.36Å; N111-R139 VanDerWaalsContact O-CA 3.28Å; N111-R139 WeakPolarHBondContact O-CA 3.1Å; N111-R139 WeakPolarHBondContact O-CG 3.42Å; N111-I140 WeakPolarHBondContact CB-O 3.4Å; N111-I140 PolarHBondContact O-N 3.36Å; N111-D142 PolarHBondContact ND2-OD1 2.99Å
112	A	75.2	Confident	78.3	Confident	13 Å²	13	55.3 Å²	55.3	11%	0.107	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	137	172.8	0	0	0	0	0	111.1	L68 A106 L109 I137 R138	L68-A112 HydrophobicContact CD1-CB 4.48Å; A106-A112 HydrophobicContact CB-CB 3.94Å; L109-A112 HydrophobicContact CB-CB 4.22Å; L109-A112 HydrophobicContact CD1-CB 4.23Å; A112-I137 HydrophobicContact CB-CG2 4.11Å; A112-R138 CarbonylContact C-O 3.56Å; A112-R138 WeakPolarHBondContact CA-O 3.41Å
113	S	73.6	Confident	77.4	Confident	28 Å²	28	58 Å²	58	20%	0.196	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	154.6	171.5	66.6	0	0	0	0	110.2	I137 R138	S113-I137 VanDerWaalsContact O-CA 3.26Å; S113-I137 WeakPolarHBondContact O-CA 3.48Å; S113-I137 WeakPolarHBondContact O-CG2 3.29Å; S113-R138 PolarHBondContact N-O 3.14Å; S113-R138 PolarHBondContact O-N 3.21Å; S113-R138 PolarHBondContact OG-O 3.15Å
114	V	81	Confident	76.3	Confident	26 Å²	26	62 Å²	62	16%	0.158	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	123.7	176.2	-178.4	0	0	0	0	108.4	L102 K103 A106 F135 I137	L102-V114 HydrophobicContact CD2-CG1 3.83Å; L102-V114 HydrophobicContact CG-CG1 4.26Å; K103-V114 HydrophobicContact CG-CB 4.41Å; A106-V114 HydrophobicContact CB-CG2 3.35Å; V114-F135 HydrophobicContact CG1-CB 4.27Å; V114-F135 HydrophobicContact CG1-CD1 3.76Å; V114-F135 HydrophobicContact CG1-CG 4.33Å; V114-I137 HydrophobicContact CG2-CG1 4.41Å
115	T	77.5	Confident	75.1	Confident	30 Å²	30	58.5 Å²	58.5	18%	0.184	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	119	-177.9	-58.6	0	0	0	0	108.4	L117 F135 L136	T115-L117 HydrophobicContact CG2-CD2 4.46Å; T115-L117 PolarHBondContact O-N 3.11Å; T115-F135 CarbonylContact O-C 3.49Å; T115-F135 WeakPolarHBondContact O-CA 3.27Å; T115-L136 PolarHBondContact N-O 3.06Å; T115-L136 PolarHBondContact O-N 3.37Å
116	L	85.1	Confident	73.7	Confident	54 Å²	54	68.2 Å²	68.2	28%	0.283	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	118.8	166.7	177.6	64.8	0	0	0	108.6	R118 A133 F135	L116-R118 WeakPolarHBondContact CD1-O 3.43Å; L116-A133 HydrophobicContact CD1-CB 3.64Å; L116-F135 HydrophobicContact CB-CD1 4.02Å; L116-F135 HydrophobicContact CB-CE1 3.72Å; L116-F135 HydrophobicContact CD1-CD1 4.16Å; L116-F135 HydrophobicContact CD1-CE1 3.67Å; L116-F135 HydrophobicContact CD1-CE2 4.15Å; L116-F135 HydrophobicContact CD1-CZ 3.64Å; L116-F135 HydrophobicContact CG-CE1 4.25Å
117	L	80.3	Confident	72.7	Confident	78 Å²	78	74.7 Å²	74.7	41%	0.408	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-54	174.9	-67.8	-175.1	0	0	0	110.5	T115 E134 L136	T115-L117 HydrophobicContact CG2-CD2 4.46Å; T115-L117 PolarHBondContact O-N 3.11Å; L117-E134 HydrophobicContact CB-CB 4.46Å; L117-E134 HydrophobicContact CB-CG 4.4Å; L117-E134 WeakPolarHBondContact CB-OE1 3.49Å; L117-E134 HydrophobicContact CD1-CG 4.25Å; L117-E134 WeakPolarHBondContact CD1-OE1 3.49Å; L117-E134 PolarHBondContact N-O 3Å; L117-L136 HydrophobicContact CD1-CB 3.76Å; L117-L136 HydrophobicContact CD2-CB 3.82Å; L117-L136 HydrophobicContact CD2-CD2 4.28Å; L117-L136 HydrophobicContact CG-CB 3.69Å
118	R	81.1	Confident	72.6	Confident	109 Å²	109	77.7 Å²	77.7	41%	0.411	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	148	-174.5	-69.8	177.3	163.9	-163.9	-8	111.1	S24 D27 L116 A133 E134	S24-R118 PolarHBondContact OG-NH1 2.99Å; D27-R118 IonicContact OD1-CZ 3.63Å; D27-R118 IonicContact OD1-NH1 3.13Å; D27-R118 PolarHBondContact OD1-NH1 2.79Å; D27-R118 IonicContact OD1-NH2 3.88Å; D27-R118 PolarHBondContact OD1-NH2 2.99Å; L116-R118 WeakPolarHBondContact CD1-O 3.43Å; R118-A133 CarbonylContact O-C 3.45Å; R118-A133 VanDerWaalsContact O-CA 3.24Å; R118-A133 WeakPolarHBondContact O-CA 3.38Å; R118-A133 WeakPolarHBondContact O-CB 3.43Å; R118-E134 HydrophobicContact CB-CB 4.3Å; R118-E134 PolarHBondContact N-O 2.73Å; R118-E134 PolarHBondContact O-N 2.81Å
119	E	87.9	Confident	73	Confident	89 Å²	89	81.5 Å²	81.5	42%	0.416	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	127.5	174.4	-174.9	-178.6	148.2	0	0	108.3	K131 V132 A133	E119-K131 VanDerWaalsContact OE1-CD 3.23Å; E119-K131 WeakPolarHBondContact OE1-CD 3.34Å; E119-K131 WeakPolarHBondContact OE1-CE 3.29Å; E119-K131 IonicContact OE1-NZ 2.75Å; E119-K131 PolarHBondContact OE1-NZ 2.75Å; E119-V132 CarbonylContact C-O 3.55Å; E119-V132 WeakPolarHBondContact CA-O 3.38Å; E119-A133 HydrophobicContact CB-CB 4.48Å
120	K	84.6	Confident	74.1	Confident	43 Å²	43	82.3 Å²	82.3	19%	0.187	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	136.7	178.9	-175.8	170.6	-179.1	168.6	0	109.2	D27 G30 V122 V132	D27-K120 PolarHBondContact O-NZ 2.93Å; G30-K120 PolarHBondContact O-NZ 2.91Å; K120-V122 HydrophobicContact CG-CG2 4.5Å; K120-V132 PolarHBondContact N-O 3.29Å; K120-V132 PolarHBondContact O-N 3.38Å; K120-V132 VanDerWaalsContact O-O 3.11Å
121	I	85.1	Confident	75.7	Confident	93 Å²	93	80 Å²	80	48%	0.477	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	131.5	172.8	-61.6	170.3	0	0	0	107.7	K129 L130	I121-K129 HydrophobicContact CD1-CD 4.4Å; I121-K129 HydrophobicContact CG2-CB 3.82Å; I121-K129 HydrophobicContact CG2-CD 4.38Å; I121-K129 HydrophobicContact CG2-CG 4.15Å; I121-L130 CarbonylContact C-O 3.52Å; I121-L130 VanDerWaalsContact CA-O 3.3Å; I121-L130 WeakPolarHBondContact CA-O 3.47Å
122	V	81.3	Confident	76.9	Confident	34 Å²	34	77.7 Å²	77.7	21%	0.206	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	140.6	-178.9	-172.7	0	0	0	0	109.7	C87 K120 L130 V132	C87-V122 HydrophobicContact CB-CG2 4.35Å; C87-V122 WeakPolarHBondContact O-CG1 3.45Å; K120-V122 HydrophobicContact CG-CG2 4.5Å; V122-L130 PolarHBondContact N-O 2.75Å; V122-L130 WeakPolarHBondContact O-CB 3.34Å; V122-L130 PolarHBondContact O-N 3.49Å; V122-V132 HydrophobicContact CG2-CB 4.21Å; V122-V132 HydrophobicContact CG2-CG2 3.64Å
123	G	69.7	Low	77.7	Confident	56 Å²	56	77.1 Å²	77.1	58%	0.577	41%	0.405	S	S	*	.			trans	101.5	133.2	179.3	0	0	0	0	0	113.6
124	E	62	Low	78.5	Confident	199 Å²	199	77 Å²	77	93%	0.93	40%	0.402	S	S	*	.			trans	-87.1	-8	176.8	-66.4	-173	154	0	0	113.5
125	G	56.7	Low	78.9	Confident	51 Å²	51	76 Å²	76	53%	0.526	40%	0.396	S	S	.	.			trans	-71.6	135.8	-173	0	0	0	0	0	113.5	V127	G125-V127 PolarHBondContact O-N 3.07Å; G125-V127 VanDerWaalsContact O-N 3.08Å
126	E	57.9	Low	79.3	Confident	205 Å²	205	75.7 Å²	75.7	96%	0.958	39%	0.392	S	S	*	.	S	Bend	trans	-60.4	-16.1	174	-70.2	-169.9	152	0	0	113.9
127	V	59.9	Low	79.3	Confident	138 Å²	138	73.1 Å²	73.1	84%	0.836	38%	0.379	S	S	*	.	S	Bend	trans	-78.3	-47.1	-165.5	-172	0	0	0	0	112.2	G125	G125-V127 PolarHBondContact O-N 3.07Å; G125-V127 VanDerWaalsContact O-N 3.08Å
128	E	68.1	Low	79	Confident	130 Å²	130	72 Å²	72	61%	0.607	37%	0.37	S	S	*	.			trans	-154.8	128.3	174.4	-70.1	-167.4	158.9	0	0	112.1	T91 L130	T91-E128 VanDerWaalsContact CG2-OE2 3.3Å; T91-E128 WeakPolarHBondContact CG2-OE2 3.33Å; E128-L130 PolarHBondContact O-N 3.34Å
129	K	78.6	Confident	78.7	Confident	156 Å²	156	71.1 Å²	71.1	68%	0.678	37%	0.366	S	S	*	.			trans	-73.8	110.2	173.2	-68.6	-177.2	179.9	-174	0	109.8	I121	I121-K129 HydrophobicContact CD1-CD 4.4Å; I121-K129 HydrophobicContact CG2-CB 3.82Å; I121-K129 HydrophobicContact CG2-CD 4.38Å; I121-K129 HydrophobicContact CG2-CG 4.15Å
130	L	88.6	Confident	77.7	Confident	47 Å²	47	67.9 Å²	67.9	25%	0.246	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	147.4	176.4	-57	175.1	0	0	0	110.3	R88 L90 T91 I121 V122 E128	R88-L130 WeakPolarHBondContact O-CD1 3.49Å; L90-L130 CarbonylContact O-C 3.52Å; L90-L130 WeakPolarHBondContact O-CA 3.42Å; T91-L130 HydrophobicContact CG2-CD2 3.95Å; I121-L130 CarbonylContact C-O 3.52Å; I121-L130 VanDerWaalsContact CA-O 3.3Å; I121-L130 WeakPolarHBondContact CA-O 3.47Å; V122-L130 PolarHBondContact N-O 2.75Å; V122-L130 WeakPolarHBondContact O-CB 3.34Å; V122-L130 PolarHBondContact O-N 3.49Å; E128-L130 PolarHBondContact O-N 3.34Å
131	K	89.5	Confident	76.9	Confident	53 Å²	53	66.2 Å²	66.2	23%	0.23	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	136.5	-175.8	-66.5	-178.1	171.7	-154	0	112.2	G89 L90 F95 E119	G89-K131 CarbonylContact C-O 3.54Å; G89-K131 VanDerWaalsContact CA-O 3.3Å; G89-K131 WeakPolarHBondContact CA-O 3.34Å; L90-K131 PolarHBondContact N-O 3.36Å; L90-K131 PolarHBondContact O-N 2.68Å; F95-K131 HydrophobicContact CD1-CD 4.32Å; F95-K131 HydrophobicContact CD2-CB 3.86Å; F95-K131 HydrophobicContact CE2-CB 4.17Å; F95-K131 HydrophobicContact CG-CB 4.27Å; F95-K131 HydrophobicContact CG-CD 4.32Å; E119-K131 VanDerWaalsContact OE1-CD 3.23Å; E119-K131 WeakPolarHBondContact OE1-CD 3.34Å; E119-K131 WeakPolarHBondContact OE1-CE 3.29Å; E119-K131 IonicContact OE1-NZ 2.75Å; E119-K131 PolarHBondContact OE1-NZ 2.75Å
132	V	90.5	Very high	76.3	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	141.9	165.1	175.3	0	0	0	0	107.7	L26 I79 V81 C87 E119 K120 V122	L26-V132 HydrophobicContact CD1-CG1 4.29Å; L26-V132 HydrophobicContact CD2-CG1 4.12Å; I79-V132 VanDerWaalsContact O-CA 3.32Å; I79-V132 WeakPolarHBondContact O-CA 3.27Å; V81-V132 HydrophobicContact CG2-CG1 3.48Å; V81-V132 VanDerWaalsContact CG2-CG1 3.48Å; C87-V132 HydrophobicContact CB-CG2 4.09Å; E119-V132 CarbonylContact C-O 3.55Å; E119-V132 WeakPolarHBondContact CA-O 3.38Å; K120-V132 PolarHBondContact N-O 3.29Å; K120-V132 PolarHBondContact O-N 3.38Å; K120-V132 VanDerWaalsContact O-O 3.11Å; V122-V132 HydrophobicContact CG2-CB 4.21Å; V122-V132 HydrophobicContact CG2-CG2 3.64Å
133	A	92.1	Very high	76.3	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	148.8	176.7	0	0	0	0	0	112.9	E78 I79 F95 L116 R118 E119 F135	E78-A133 WeakPolarHBondContact CA-O 3.34Å; I79-A133 PolarHBondContact N-O 3.04Å; I79-A133 PolarHBondContact O-N 3.38Å; F95-A133 HydrophobicContact CE2-CB 3.45Å; F95-A133 VanDerWaalsContact CE2-CB 3.45Å; F95-A133 HydrophobicContact CZ-CB 3.59Å; L116-A133 HydrophobicContact CD1-CB 3.64Å; R118-A133 CarbonylContact O-C 3.45Å; R118-A133 VanDerWaalsContact O-CA 3.24Å; R118-A133 WeakPolarHBondContact O-CA 3.38Å; R118-A133 WeakPolarHBondContact O-CB 3.43Å; E119-A133 HydrophobicContact CB-CB 4.48Å; A133-F135 HydrophobicContact CB-CD2 4.28Å; A133-F135 HydrophobicContact CB-CE2 3.59Å; A133-F135 HydrophobicContact CB-CZ 4.1Å
134	E	91.1	Very high	77.2	Confident	25 Å²	25	63 Å²	63	12%	0.117	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	125.7	175.7	-172.5	-173.2	82.1	0	0	109.1	L26 V76 L117 R118	L26-E134 HydrophobicContact CD1-CB 4.23Å; V76-E134 HydrophobicContact CG1-CG 3.48Å; V76-E134 VanDerWaalsContact CG1-CG 3.48Å; L117-E134 HydrophobicContact CB-CB 4.46Å; L117-E134 HydrophobicContact CB-CG 4.4Å; L117-E134 WeakPolarHBondContact CB-OE1 3.49Å; L117-E134 HydrophobicContact CD1-CG 4.25Å; L117-E134 WeakPolarHBondContact CD1-OE1 3.49Å; L117-E134 PolarHBondContact N-O 3Å; R118-E134 HydrophobicContact CB-CB 4.3Å; R118-E134 PolarHBondContact N-O 2.73Å; R118-E134 PolarHBondContact O-N 2.81Å
135	F	90	Very high	78.6	Confident	7 Å²	7	54 Å²	54	3%	0.031	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	128.6	178.9	-69.1	-88.7	0	0	0	110.7	V76 Y77 I79 F95 V99 L102 V114 T115 L116 A133	V76-F135 CarbonylContact C-O 3.46Å; V76-F135 WeakPolarHBondContact CA-O 3.47Å; Y77-F135 PolarHBondContact N-O 3.36Å; Y77-F135 PolarHBondContact O-N 2.99Å; I79-F135 HydrophobicContact CB-CD2 4.37Å; I79-F135 HydrophobicContact CB-CE2 4.15Å; I79-F135 HydrophobicContact CG1-CD2 3.71Å; I79-F135 HydrophobicContact CG1-CE2 3.82Å; F95-F135 HydrophobicContact CZ-CE2 4.4Å; F95-F135 HydrophobicContact CZ-CZ 4.11Å; V99-F135 HydrophobicContact CB-CZ 4.43Å; V99-F135 HydrophobicContact CG1-CE1 4.27Å; V99-F135 HydrophobicContact CG1-CZ 4.28Å; V99-F135 HydrophobicContact CG2-CE1 4.18Å; V99-F135 HydrophobicContact CG2-CE2 3.95Å; V99-F135 HydrophobicContact CG2-CZ 3.38Å; L102-F135 HydrophobicContact CD2-CB 3.79Å; L102-F135 HydrophobicContact CD2-CD1 4.22Å; L102-F135 HydrophobicContact CD2-CD2 3.98Å; L102-F135 HydrophobicContact CD2-CG 3.73Å; V114-F135 HydrophobicContact CG1-CB 4.27Å; V114-F135 HydrophobicContact CG1-CD1 3.76Å; V114-F135 HydrophobicContact CG1-CG 4.33Å; T115-F135 CarbonylContact O-C 3.49Å; T115-F135 WeakPolarHBondContact O-CA 3.27Å; L116-F135 HydrophobicContact CB-CD1 4.02Å; L116-F135 HydrophobicContact CB-CE1 3.72Å; L116-F135 HydrophobicContact CD1-CD1 4.16Å; L116-F135 HydrophobicContact CD1-CE1 3.67Å; L116-F135 HydrophobicContact CD1-CE2 4.15Å; L116-F135 HydrophobicContact CD1-CZ 3.64Å; L116-F135 HydrophobicContact CG-CE1 4.25Å; A133-F135 HydrophobicContact CB-CD2 4.28Å; A133-F135 HydrophobicContact CB-CE2 3.59Å; A133-F135 HydrophobicContact CB-CZ 4.1Å
136	L	84.9	Confident	80.4	Confident	22 Å²	22	51.6 Å²	51.6	12%	0.115	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	119.4	165.3	-178.6	63.3	0	0	0	109.5	E74 V76 T115 L117	E74-L136 HydrophobicContact CB-CD1 4.21Å; V76-L136 HydrophobicContact CG2-CD1 4.43Å; T115-L136 PolarHBondContact N-O 3.06Å; T115-L136 PolarHBondContact O-N 3.37Å; L117-L136 HydrophobicContact CD1-CB 3.76Å; L117-L136 HydrophobicContact CD2-CB 3.82Å; L117-L136 HydrophobicContact CD2-CD2 4.28Å; L117-L136 HydrophobicContact CG-CB 3.69Å
137	I	86	Confident	82.1	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	122.2	166.9	-49.7	-168	0	0	0	107.5	M64 L68 E74 A75 Y77 L102 A112 S113 V114	M64-I137 HydrophobicContact CE-CD1 3.3Å; M64-I137 HydrophobicContact CG-CD1 4.1Å; M64-I137 HydrophobicContact CG-CG2 4.46Å; M64-I137 HydrophobicContact SD-CD1 3.67Å; M64-I137 HydrophobicContact SD-CG2 3.86Å; L68-I137 HydrophobicContact CD1-CG2 4.35Å; L68-I137 HydrophobicContact CD2-CB 4.37Å; L68-I137 HydrophobicContact CD2-CG2 4.03Å; E74-I137 CarbonylContact C-O 3.5Å; E74-I137 WeakPolarHBondContact CA-O 3.48Å; A75-I137 HydrophobicContact CB-CB 4.37Å; A75-I137 PolarHBondContact N-O 2.64Å; A75-I137 PolarHBondContact O-N 3.17Å; Y77-I137 HydrophobicContact CD1-CD1 4.5Å; Y77-I137 HydrophobicContact CD2-CD1 3.27Å; Y77-I137 HydrophobicContact CD2-CG1 3.77Å; Y77-I137 HydrophobicContact CE2-CD1 3.42Å; Y77-I137 VanDerWaalsContact CE2-CD1 3.42Å; Y77-I137 HydrophobicContact CE2-CG1 4.24Å; Y77-I137 HydrophobicContact CG-CD1 3.85Å; Y77-I137 HydrophobicContact CG-CG1 4.45Å; L102-I137 HydrophobicContact CD1-CD1 3.8Å; L102-I137 HydrophobicContact CD2-CD1 4.49Å; L102-I137 HydrophobicContact CG-CD1 4.16Å; A112-I137 HydrophobicContact CB-CG2 4.11Å; S113-I137 VanDerWaalsContact O-CA 3.26Å; S113-I137 WeakPolarHBondContact O-CA 3.48Å; S113-I137 WeakPolarHBondContact O-CG2 3.29Å; V114-I137 HydrophobicContact CG2-CG1 4.41Å
138	R	74.1	Confident	83.9	Confident	56 Å²	56	35.3 Å²	35.3	21%	0.211	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	128.6	-179.7	-172.4	177.4	-74.7	178.6	-4.3	110.2	G73 E74 A112 S113	G73-R138 CarbonylContact O-C 3.56Å; G73-R138 WeakPolarHBondContact O-CA 3.11Å; E74-R138 HydrophobicContact CG-CG 4.3Å; E74-R138 IonicContact OE1-CZ 2.91Å; E74-R138 IonicContact OE1-NE 2.61Å; E74-R138 PolarHBondContact OE1-NE 3.38Å; E74-R138 IonicContact OE1-NH2 3.75Å; E74-R138 PolarHBondContact OE1-NH2 2.9Å; A112-R138 CarbonylContact C-O 3.56Å; A112-R138 WeakPolarHBondContact CA-O 3.41Å; S113-R138 PolarHBondContact N-O 3.14Å; S113-R138 PolarHBondContact O-N 3.21Å; S113-R138 PolarHBondContact OG-O 3.15Å
139	R	73.3	Confident	85.2	Confident	90 Å²	90	29.1 Å²	29.1	34%	0.34	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	136.5	172.1	-169.7	176.4	72.3	168.8	3.1	109.4	G73 N111 S222	G73-R139 WeakPolarHBondContact O-CB 2.93Å; G73-R139 PolarHBondContact O-N 3.32Å; N111-R139 CarbonylContact O-C 3.36Å; N111-R139 VanDerWaalsContact O-CA 3.28Å; N111-R139 WeakPolarHBondContact O-CA 3.1Å; N111-R139 WeakPolarHBondContact O-CG 3.42Å; R139-S222 PolarHBondContact NH2-O 2.77Å
140	I	67.8	Low	85.9	Confident	20 Å²	20	21.7 Å²	21.7	10%	0.103	10%	0.103	C	C	.	.			trans	-96.2	114.3	174	-55.8	173.9	0	0	0	106.3	N111	N111-I140 WeakPolarHBondContact CB-O 3.4Å; N111-I140 PolarHBondContact O-N 3.36Å
141	P	68.3	Low	86	Confident	8 Å²	8	19.5 Å²	19.5	5%	0.052	9%	0.092	C	C	.	.			trans	-64.7	150	178	27.4	-36.7	0	0	0	110.8	S143 C219 V225	P141-S143 PolarHBondContact O-N 2.78Å; P141-S143 VanDerWaalsContact O-N 3.08Å; P141-C219 WeakPolarHBondContact CG-O 3.42Å; P141-V225 HydrophobicContact CB-CG2 3.88Å; P141-V225 HydrophobicContact CG-CG2 3.85Å
142	D	72.9	Confident	85.8	Confident	79 Å²	79	18 Å²	18	42%	0.422	9%	0.086	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	113	170.5	-79.8	-13	0	0	0	108.1	N111 E223 V225	N111-D142 PolarHBondContact ND2-OD1 2.99Å; D142-E223 PolarHBondContact N-O 3.32Å; D142-V225 PolarHBondContact O-N 3.29Å
143	S	81	Confident	85.6	Confident	29 Å²	29	22.4 Å²	22.4	20%	0.203	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	122.1	-175.8	62	0	0	0	0	111.1	P141 V225 R446	P141-S143 PolarHBondContact O-N 2.78Å; P141-S143 VanDerWaalsContact O-N 3.08Å; S143-V225 CarbonylContact C-O 3.57Å; S143-V225 VanDerWaalsContact CA-O 3.3Å; S143-V225 WeakPolarHBondContact CA-O 3.26Å; S143-R446 PolarHBondContact OG-NH1 3.04Å
144	Q	87.7	Confident	85.6	Confident	9 Å²	9	22.4 Å²	22.4	4%	0.042	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	166.9	168.3	-61.5	-171	-58.4	0	0	110.5	K224 V225 I226 T227 F252 P378	Q144-K224 VanDerWaalsContact OE1-NZ 3.1Å; Q144-V225 PolarHBondContact N-O 3.07Å; Q144-I226 HydrophobicContact CB-CG1 4.39Å; Q144-T227 PolarHBondContact O-N 3.43Å; Q144-F252 HydrophobicContact CB-CE1 4.33Å; Q144-P378 PolarHBondContact NE2-O 2.74Å
145	Q	90.7	Very high	85.6	Confident	10 Å²	10	21.7 Å²	21.7	5%	0.047	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	126.8	-178.7	-59.6	-174.1	41.6	0	0	108.5	T227 Y248 H251 F252 A457	Q145-T227 CarbonylContact C-O 3.57Å; Q145-T227 VanDerWaalsContact CA-O 3.24Å; Q145-T227 WeakPolarHBondContact CA-O 3.28Å; Q145-Y248 PolarHBondContact OE1-O 2.74Å; Q145-H251 WeakPolarHBondContact CB-ND1 3.45Å; Q145-H251 PolarHBondContact N-ND1 3.28Å; Q145-H251 WeakPolarHBondContact O-CB 3.47Å; Q145-H251 PolarHBondContact O-N 3.28Å; Q145-F252 PolarHBondContact O-N 3.21Å; Q145-A457 PolarHBondContact NE2-O 3.07Å; Q145-A457 VanDerWaalsContact NE2-O 3.08Å
146	A	94.3	Very high	85.8	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	142.5	-179.9	0	0	0	0	0	108.9	I226 T227 F228 I229 F252 V254	A146-I226 HydrophobicContact CB-CG2 3.87Å; A146-T227 PolarHBondContact N-O 2.81Å; A146-F228 HydrophobicContact CB-CD1 3.54Å; A146-F228 HydrophobicContact CB-CE1 3.56Å; A146-F228 HydrophobicContact CB-CG 4.1Å; A146-F228 HydrophobicContact CB-CZ 4.13Å; A146-F228 CarbonylContact O-C 3.55Å; A146-F228 VanDerWaalsContact O-CA 3.25Å; A146-F228 WeakPolarHBondContact O-CA 3.44Å; A146-I229 PolarHBondContact O-N 3.34Å; A146-F252 WeakPolarHBondContact CA-O 3.49Å; A146-F252 HydrophobicContact CB-CD2 3.8Å; A146-F252 HydrophobicContact CB-CE2 3.21Å; A146-F252 HydrophobicContact CB-CZ 3.66Å; A146-V254 HydrophobicContact CB-CG2 4.46Å
147	T	95.6	Very high	86.2	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	130.2	175.3	-67.9	0	0	0	0	111.2	L149 I229 L231 L245 P250 F252 V253 V254	T147-L149 HydrophobicContact CG2-CD2 4.2Å; T147-L149 HydrophobicContact CG2-CG 4.1Å; T147-I229 WeakPolarHBondContact CA-O 3.28Å; T147-L231 HydrophobicContact CG2-CD1 3.22Å; T147-L231 HydrophobicContact CG2-CG 3.76Å; T147-L245 HydrophobicContact CG2-CD1 4.46Å; T147-P250 WeakPolarHBondContact OG1-CB 3.47Å; T147-P250 WeakPolarHBondContact OG1-CG 3.45Å; T147-F252 PolarHBondContact N-O 2.74Å; T147-V253 WeakPolarHBondContact O-CA 3.35Å; T147-V254 PolarHBondContact O-N 3.19Å
148	M	96.7	Very high	86.6	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	118.6	176.3	-57.9	-64.7	-71.5	0	0	109.5	K156 L159 L160 F228 I229 V254 V256	M148-K156 HydrophobicContact CB-CB 4.32Å; M148-K156 HydrophobicContact CE-CB 4.41Å; M148-K156 WeakPolarHBondContact CE-O 3.48Å; M148-L159 HydrophobicContact CE-CB 4.25Å; M148-L159 HydrophobicContact CE-CD2 3.96Å; M148-L159 HydrophobicContact CE-CG 4.17Å; M148-L160 HydrophobicContact CE-CB 4.49Å; M148-F228 HydrophobicContact CG-CD1 4.23Å; M148-F228 HydrophobicContact SD-CD1 3.72Å; M148-F228 HydrophobicContact SD-CE1 4.12Å; M148-I229 PolarHBondContact N-O 2.81Å; M148-V254 HydrophobicContact CE-CG1 4.29Å; M148-V254 HydrophobicContact SD-CB 3.71Å; M148-V254 HydrophobicContact SD-CG1 3.98Å; M148-V254 HydrophobicContact SD-CG2 4.02Å; M148-V256 HydrophobicContact CE-CG2 3.64Å
149	L	95.7	Very high	87.6	Confident	1 Å²	1	19.1 Å²	19.1	1%	0.005	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	162.8	176.4	-70.4	-174.5	0	0	0	111.2	T147 K156 L231 T241 L245 V253 V254 L255 V256 H286 S290	T147-L149 HydrophobicContact CG2-CD2 4.2Å; T147-L149 HydrophobicContact CG2-CG 4.1Å; L149-K156 WeakPolarHBondContact O-CD 3.49Å; L149-L231 HydrophobicContact CD2-CB 4.11Å; L149-L231 HydrophobicContact CD2-CD1 3.83Å; L149-T241 HydrophobicContact CD2-CG2 3.46Å; L149-T241 VanDerWaalsContact CD2-CG2 3.46Å; L149-L245 HydrophobicContact CD1-CD1 4.36Å; L149-L245 HydrophobicContact CD1-CD2 4.16Å; L149-V253 HydrophobicContact CB-CG1 4.02Å; L149-V253 HydrophobicContact CD1-CG1 3.74Å; L149-V253 HydrophobicContact CD1-CG2 4.1Å; L149-V253 HydrophobicContact CG-CG1 4.01Å; L149-V254 PolarHBondContact N-O 2.68Å; L149-L255 HydrophobicContact CB-CD1 4.04Å; L149-L255 CarbonylContact O-C 3.58Å; L149-L255 WeakPolarHBondContact O-CA 3.5Å; L149-V256 PolarHBondContact O-N 2.84Å; L149-H286 HydrophobicContact CB-CB 4.01Å; L149-H286 HydrophobicContact CD1-CB 4.09Å; L149-H286 HydrophobicContact CG-CB 4.48Å; L149-S290 VanDerWaalsContact CD1-OG 3.28Å; L149-S290 WeakPolarHBondContact CD1-OG 3.13Å
150	G	92.6	Very high	88.6	Confident	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.084	C	C	.	.			trans	136	162.7	-177.3	0	0	0	0	0	112.9	K156 G233 V256 H286	G150-K156 WeakPolarHBondContact O-CE 3.34Å; G150-K156 PolarHBondContact O-NZ 3.02Å; G150-G233 WeakPolarHBondContact O-CA 3.17Å; G150-V256 WeakPolarHBondContact CA-O 3.4Å; G150-H286 PolarHBondContact N-ND1 3.41Å; G150-H286 PolarHBondContact O-CE1 2.96Å; G150-H286 PolarHBondContact O-ND1 3.37Å
151	S	90.5	Very high	89.8	Confident	1 Å²	1	13.9 Å²	13.9	1%	0.007	8%	0.079	C	C	.	.			trans	-54.4	164.9	-178.2	67.3	0	0	0	0	113.4	S154 K156 G233 S279 T283	S151-S154 WeakPolarHBondContact O-CB 3.47Å; S151-S154 PolarHBondContact O-N 2.96Å; S151-S154 PolarHBondContact O-OG 3.17Å; S151-K156 PolarHBondContact O-NZ 3.43Å; S151-G233 CarbonylContact C-O 3.58Å; S151-S279 WeakPolarHBondContact CB-O 3.37Å; S151-T283 WeakPolarHBondContact CB-OG1 3.25Å; S151-T283 PolarHBondContact N-OG1 3.04Å
152	D	86.3	Confident	91.1	Very high	21 Å²	21	13.8 Å²	13.8	11%	0.112	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	149.9	163.8	66.9	-42.5	0	0	0	110.8	S154 R190 G233 H234 S279	D152-S154 PolarHBondContact O-N 2.58Å; D152-R190 IonicContact OD2-CZ 3.06Å; D152-R190 IonicContact OD2-NE 2.68Å; D152-R190 PolarHBondContact OD2-NE 3.26Å; D152-R190 IonicContact OD2-NH2 2.73Å; D152-R190 PolarHBondContact OD2-NH2 2.84Å; D152-G233 PolarHBondContact N-O 3.35Å; D152-H234 HydrophobicContact CB-CB 4.19Å; D152-H234 IonicContact OD2-CD2 2.63Å; D152-S279 PolarHBondContact OD1-OG 3.18Å
153	D	86.6	Confident	92	Very high	93 Å²	93	10.4 Å²	10.4	50%	0.497	6%	0.06	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	1	-175.3	-157.1	43.9	0	0	0	117.4	G155 K303	D153-G155 PolarHBondContact O-N 3.43Å; D153-K303 WeakPolarHBondContact O-CE 3.29Å; D153-K303 PolarHBondContact O-NZ 3.24Å; D153-K303 IonicContact OD1-NZ 2.75Å; D153-K303 IonicContact OD2-NZ 3.77Å; D153-K303 PolarHBondContact OD2-NZ 2.84Å
154	S	90.9	Very high	92.5	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.057	C	C	.	.	S	Bend	trans	-59.2	-10.2	172.6	51.7	0	0	0	0	115.4	S151 D152 K156 V256 T302	S151-S154 WeakPolarHBondContact O-CB 3.47Å; S151-S154 PolarHBondContact O-N 2.96Å; S151-S154 PolarHBondContact O-OG 3.17Å; D152-S154 PolarHBondContact O-N 2.58Å; S154-K156 WeakPolarHBondContact OG-CG 3.48Å; S154-K156 PolarHBondContact OG-NZ 2.99Å; S154-K156 VanDerWaalsContact OG-NZ 3.16Å; S154-V256 WeakPolarHBondContact CB-O 3.48Å; S154-V256 WeakPolarHBondContact O-CG1 3.48Å; S154-T302 PolarHBondContact O-OG1 3Å
155	G	91.6	Very high	92.5	Very high	9 Å²	9	12.5 Å²	12.5	9%	0.093	7%	0.069	C	C	.	.	S	Bend	trans	84.7	17.9	-178.7	0	0	0	0	0	114.5	D153 T158 L159	D153-G155 PolarHBondContact O-N 3.43Å; G155-T158 PolarHBondContact O-N 3.11Å; G155-L159 VanDerWaalsContact O-CB 3.27Å; G155-L159 WeakPolarHBondContact O-CB 3.26Å; G155-L159 PolarHBondContact O-N 3.41Å
156	K	94	Very high	92.3	Very high	9 Å²	9	13.5 Å²	13.5	4%	0.039	8%	0.082	C	C	.	.	H	α-helix	trans	-49.9	-63.5	174.3	-69.4	178	-52.9	-62.2	0	113.5	M148 L149 G150 S151 S154 T158 L159 L160 L231 V256	M148-K156 HydrophobicContact CB-CB 4.32Å; M148-K156 HydrophobicContact CE-CB 4.41Å; M148-K156 WeakPolarHBondContact CE-O 3.48Å; L149-K156 WeakPolarHBondContact O-CD 3.49Å; G150-K156 WeakPolarHBondContact O-CE 3.34Å; G150-K156 PolarHBondContact O-NZ 3.02Å; S151-K156 PolarHBondContact O-NZ 3.43Å; S154-K156 WeakPolarHBondContact OG-CG 3.48Å; S154-K156 PolarHBondContact OG-NZ 2.99Å; S154-K156 VanDerWaalsContact OG-NZ 3.16Å; K156-T158 PolarHBondContact O-N 3.24Å; K156-L159 PolarHBondContact O-N 2.96Å; K156-L160 PolarHBondContact O-N 3.47Å; K156-L231 VanDerWaalsContact CE-O 3.29Å; K156-L231 WeakPolarHBondContact CE-O 3.1Å; K156-V256 HydrophobicContact CB-CG2 4.42Å; K156-V256 HydrophobicContact CG-CB 3.71Å; K156-V256 HydrophobicContact CG-CG1 4.45Å; K156-V256 HydrophobicContact CG-CG2 3.78Å
157	S	93.8	Very high	92.1	Very high	10 Å²	10	17.9 Å²	17.9	7%	0.07	10%	0.102	C	C	.	.	H	α-helix	trans	-66	-32.4	-177.5	-42.6	0	0	0	0	111.1	L160 G161 L179 T191 D230	S157-L160 PolarHBondContact O-N 2.97Å; S157-G161 PolarHBondContact O-N 2.86Å; S157-L179 WeakPolarHBondContact O-CD1 3.31Å; S157-T191 PolarHBondContact OG-OG1 3.08Å; S157-D230 WeakPolarHBondContact CB-OD2 3.41Å; S157-D230 PolarHBondContact OG-OD1 2.77Å; S157-D230 PolarHBondContact OG-OD2 3.36Å
158	T	94.2	Very high	92	Very high	12 Å²	12	22.1 Å²	22.1	7%	0.074	12%	0.124	C	C	.	.	H	α-helix	trans	-64.8	-48.4	175.2	-53.2	0	0	0	0	111	G155 K156 G161 V162 D169 S175 N361	G155-T158 PolarHBondContact O-N 3.11Å; K156-T158 PolarHBondContact O-N 3.24Å; T158-G161 PolarHBondContact O-N 3Å; T158-V162 WeakPolarHBondContact O-CG2 3.45Å; T158-V162 PolarHBondContact O-N 3.15Å; T158-D169 HydrophobicContact CG2-CB 3.59Å; T158-D169 VanDerWaalsContact CG2-CG 3.43Å; T158-S175 WeakPolarHBondContact CA-OG 3.3Å; T158-S175 VanDerWaalsContact CG2-OG 3.28Å; T158-S175 WeakPolarHBondContact CG2-OG 3.44Å; T158-S175 PolarHBondContact O-OG 3.07Å; T158-N361 HydrophobicContact CG2-CB 4.12Å
159	L	96	Very high	91.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61.7	-44.4	175.9	174	59.7	0	0	0	110.6	M148 G155 K156 G161 V162 L163 V256 V300 T302 N361 I367 L370	M148-L159 HydrophobicContact CE-CB 4.25Å; M148-L159 HydrophobicContact CE-CD2 3.96Å; M148-L159 HydrophobicContact CE-CG 4.17Å; G155-L159 VanDerWaalsContact O-CB 3.27Å; G155-L159 WeakPolarHBondContact O-CB 3.26Å; G155-L159 PolarHBondContact O-N 3.41Å; K156-L159 PolarHBondContact O-N 2.96Å; L159-G161 VanDerWaalsContact C-N 3.31Å; L159-G161 PolarHBondContact O-N 2.78Å; L159-V162 PolarHBondContact O-N 2.87Å; L159-L163 HydrophobicContact CD1-CD1 4.13Å; L159-L163 HydrophobicContact CD1-CG 4.1Å; L159-L163 HydrophobicContact CG-CD1 4.13Å; L159-L163 HydrophobicContact CG-CG 4.49Å; L159-L163 VanDerWaalsContact O-CG 3.32Å; L159-L163 WeakPolarHBondContact O-CG 3.49Å; L159-L163 PolarHBondContact O-N 3.44Å; L159-V256 HydrophobicContact CD2-CG2 4.22Å; L159-V300 HydrophobicContact CD2-CB 4.24Å; L159-V300 HydrophobicContact CD2-CG1 3.73Å; L159-V300 HydrophobicContact CD2-CG2 4.49Å; L159-T302 HydrophobicContact CD2-CG2 4.38Å; L159-N361 VanDerWaalsContact CD1-OD1 3.26Å; L159-N361 WeakPolarHBondContact CD1-OD1 3.41Å; L159-I367 HydrophobicContact CD1-CD1 3.85Å; L159-L370 HydrophobicContact CD1-CD2 4.11Å; L159-L370 HydrophobicContact CD2-CD2 4.41Å
160	L	94.6	Very high	91.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-58.5	-45.4	175.6	179.9	59.3	0	0	0	111.3	M148 K156 S157 V162 L163 T164 L179 F228 D230	M148-L160 HydrophobicContact CE-CB 4.49Å; K156-L160 PolarHBondContact O-N 3.47Å; S157-L160 PolarHBondContact O-N 2.97Å; L160-V162 VanDerWaalsContact C-N 3.33Å; L160-V162 PolarHBondContact O-N 2.98Å; L160-L163 PolarHBondContact O-N 2.81Å; L160-T164 HydrophobicContact CD1-CG2 3.54Å; L160-T164 HydrophobicContact CG-CG2 4.07Å; L160-T164 WeakPolarHBondContact O-CB 3.19Å; L160-T164 VanDerWaalsContact O-CG2 3.3Å; L160-T164 WeakPolarHBondContact O-CG2 3.28Å; L160-T164 PolarHBondContact O-N 2.86Å; L160-T164 PolarHBondContact O-OG1 2.97Å; L160-L179 HydrophobicContact CB-CD1 3.92Å; L160-L179 HydrophobicContact CD2-CD1 3.9Å; L160-L179 HydrophobicContact CD2-CD2 4.38Å; L160-L179 HydrophobicContact CG-CD1 3.88Å; L160-F228 HydrophobicContact CD1-CB 3.3Å; L160-F228 HydrophobicContact CD1-CD1 4.21Å; L160-F228 HydrophobicContact CD1-CD2 4.17Å; L160-F228 HydrophobicContact CD1-CG 3.65Å; L160-F228 HydrophobicContact CD2-CB 4.33Å; L160-F228 HydrophobicContact CG-CB 4.47Å; L160-D230 HydrophobicContact CD2-CB 3.68Å
161	G	92.3	Very high	91.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-60	-41.1	176.2	0	0	0	0	0	112.6	S157 T158 L159 L163 T164 Q165	S157-G161 PolarHBondContact O-N 2.86Å; T158-G161 PolarHBondContact O-N 3Å; L159-G161 VanDerWaalsContact C-N 3.31Å; L159-G161 PolarHBondContact O-N 2.78Å; G161-L163 PolarHBondContact O-N 2.87Å; G161-T164 PolarHBondContact O-N 2.8Å; G161-T164 PolarHBondContact O-OG1 2.83Å; G161-Q165 VanDerWaalsContact O-CB 3.23Å; G161-Q165 WeakPolarHBondContact O-CB 3.26Å; G161-Q165 VanDerWaalsContact O-CG 3.26Å; G161-Q165 WeakPolarHBondContact O-CG 3.33Å; G161-Q165 PolarHBondContact O-N 2.93Å
162	V	94.2	Very high	91.5	Very high	6 Å²	6	39.7 Å²	39.7	4%	0.036	21%	0.214	C	C	.	.	H	α-helix	trans	-62.3	-43.9	175.2	173	0	0	0	0	111.3	T158 L159 L160 G166 E167 L168 D169 N361	T158-V162 WeakPolarHBondContact O-CG2 3.45Å; T158-V162 PolarHBondContact O-N 3.15Å; L159-V162 PolarHBondContact O-N 2.87Å; L160-V162 VanDerWaalsContact C-N 3.33Å; L160-V162 PolarHBondContact O-N 2.98Å; V162-G166 VanDerWaalsContact O-CA 3.31Å; V162-G166 WeakPolarHBondContact O-CA 3.36Å; V162-G166 PolarHBondContact O-N 2.97Å; V162-E167 WeakPolarHBondContact CA-O 3.3Å; V162-E167 WeakPolarHBondContact CG2-O 3.45Å; V162-L168 HydrophobicContact CG1-CD2 4.06Å; V162-D169 HydrophobicContact CG2-CB 4.28Å; V162-N361 HydrophobicContact CG2-CB 4Å
163	L	93.8	Very high	91.4	Very high	8 Å²	8	39 Å²	39	4%	0.042	21%	0.212	C	C	.	.	H	α-helix	trans	-69.5	-39.1	-179.5	-65.4	175.5	0	0	0	112.6	L159 L160 G161 V199 F228 I367 L370 L371 L374	L159-L163 HydrophobicContact CD1-CD1 4.13Å; L159-L163 HydrophobicContact CD1-CG 4.1Å; L159-L163 HydrophobicContact CG-CD1 4.13Å; L159-L163 HydrophobicContact CG-CG 4.49Å; L159-L163 VanDerWaalsContact O-CG 3.32Å; L159-L163 WeakPolarHBondContact O-CG 3.49Å; L159-L163 PolarHBondContact O-N 3.44Å; L160-L163 PolarHBondContact O-N 2.81Å; G161-L163 PolarHBondContact O-N 2.87Å; L163-V199 HydrophobicContact CB-CG2 3.97Å; L163-F228 HydrophobicContact CD1-CZ 4.35Å; L163-I367 HydrophobicContact CD2-CG2 4.26Å; L163-L370 HydrophobicContact CD1-CD2 4.45Å; L163-L370 HydrophobicContact CD2-CD2 4.5Å; L163-L371 HydrophobicContact CD2-CD2 3.76Å; L163-L371 HydrophobicContact CD2-CG 4.1Å; L163-L374 HydrophobicContact CD1-CD1 4.46Å
164	T	90.4	Very high	91.6	Very high	23 Å²	23	39.6 Å²	39.6	14%	0.141	21%	0.21	C	C	.	.	H	α-helix	trans	-84.1	-27.9	-175.4	58.8	0	0	0	0	113.4	L160 G161 V199 N209	L160-T164 HydrophobicContact CD1-CG2 3.54Å; L160-T164 HydrophobicContact CG-CG2 4.07Å; L160-T164 WeakPolarHBondContact O-CB 3.19Å; L160-T164 VanDerWaalsContact O-CG2 3.3Å; L160-T164 WeakPolarHBondContact O-CG2 3.28Å; L160-T164 PolarHBondContact O-N 2.86Å; L160-T164 PolarHBondContact O-OG1 2.97Å; G161-T164 PolarHBondContact O-N 2.8Å; G161-T164 PolarHBondContact O-OG1 2.83Å; T164-V199 HydrophobicContact CG2-CG2 4.35Å; T164-N209 WeakPolarHBondContact O-CB 3.31Å; T164-N209 PolarHBondContact O-ND2 3.46Å
165	Q	87.7	Confident	91.4	Very high	60 Å²	60	39.8 Å²	39.8	28%	0.28	21%	0.211	S	C	.	.	H	α-helix	trans	-99.2	-21	179.7	-55.4	-164.8	-47.1	0	0	112.8	G161 E167 N178	G161-Q165 VanDerWaalsContact O-CB 3.23Å; G161-Q165 WeakPolarHBondContact O-CB 3.26Å; G161-Q165 VanDerWaalsContact O-CG 3.26Å; G161-Q165 WeakPolarHBondContact O-CG 3.33Å; G161-Q165 PolarHBondContact O-N 2.93Å; Q165-E167 PolarHBondContact O-N 3.39Å; Q165-N178 VanDerWaalsContact CD-ND2 3.28Å; Q165-N178 PolarHBondContact NE2-ND2 2.86Å; Q165-N178 PolarHBondContact OE1-ND2 2.92Å
166	G	86	Confident	91.3	Very high	31 Å²	31	42 Å²	42	32%	0.32	22%	0.217	S	C	.	.			trans	71.6	11	-175.3	0	0	0	0	0	114.3	V162	V162-G166 VanDerWaalsContact O-CA 3.31Å; V162-G166 WeakPolarHBondContact O-CA 3.36Å; V162-G166 PolarHBondContact O-N 2.97Å
167	E	90.6	Very high	90.9	Very high	92 Å²	92	45.5 Å²	45.5	43%	0.43	24%	0.236	S	C	.	.			trans	-107.6	140	175.2	-67.1	-172.2	-174.3	0	0	110.9	V162 Q165 K174	V162-E167 WeakPolarHBondContact CA-O 3.3Å; V162-E167 WeakPolarHBondContact CG2-O 3.45Å; Q165-E167 PolarHBondContact O-N 3.39Å; E167-K174 IonicContact OE2-NZ 3.53Å
168	L	93.2	Very high	90.4	Very high	88 Å²	88	50 Å²	50	46%	0.461	26%	0.259	S	S	.	.			trans	-72	150.7	175.5	-62.1	177.5	0	0	0	111.4	V162	V162-L168 HydrophobicContact CG1-CD2 4.06Å
169	D	94.2	Very high	89.9	Confident	12 Å²	12	50.4 Å²	50.4	6%	0.064	26%	0.26	C	S	.	.			trans	-74.2	149.5	175.2	-169.6	51	0	0	0	111.1	T158 V162 G171 G173 K174 S175 N361	T158-D169 HydrophobicContact CG2-CB 3.59Å; T158-D169 VanDerWaalsContact CG2-CG 3.43Å; V162-D169 HydrophobicContact CG2-CB 4.28Å; D169-G171 PolarHBondContact O-N 3.1Å; D169-G171 WeakPolarHBondContact OD2-CA 3.45Å; D169-G171 PolarHBondContact OD2-N 3.22Å; D169-G171 VanDerWaalsContact OD2-N 3.09Å; D169-G173 VanDerWaalsContact OD1-C 3.24Å; D169-G173 WeakPolarHBondContact OD1-CA 3.48Å; D169-G173 PolarHBondContact OD1-N 2.97Å; D169-G173 WeakPolarHBondContact OD2-CA 3.37Å; D169-G173 PolarHBondContact OD2-N 3.12Å; D169-K174 PolarHBondContact OD1-N 3.14Å; D169-S175 PolarHBondContact OD1-N 2.91Å; D169-S175 PolarHBondContact OD1-OG 3.32Å; D169-N361 HydrophobicContact CB-CB 4.17Å; D169-N361 PolarHBondContact N-O 2.84Å
170	N	93.1	Very high	89.5	Confident	88 Å²	88	51.3 Å²	51.3	47%	0.471	26%	0.264	S	S	.	.			trans	-88.2	14.2	177.8	68.8	-11.5	0	0	0	113.4	R172 K174	N170-R172 PolarHBondContact O-N 2.84Å; N170-R172 WeakPolarHBondContact OD1-CA 2.94Å; N170-R172 WeakPolarHBondContact OD1-CB 3.1Å; N170-R172 PolarHBondContact OD1-N 3.41Å; N170-K174 HydrophobicContact CB-CB 4.49Å; N170-K174 VanDerWaalsContact OD1-CB 3.32Å; N170-K174 WeakPolarHBondContact OD1-CB 3.44Å; N170-K174 PolarHBondContact OD1-N 2.77Å
171	G	89	Confident	89	Confident	53 Å²	53	56.7 Å²	56.7	55%	0.546	29%	0.285	S	S	.	.	S	Bend	trans	73.4	-0.6	-175	0	0	0	0	0	114.5	D169	D169-G171 PolarHBondContact O-N 3.1Å; D169-G171 WeakPolarHBondContact OD2-CA 3.45Å; D169-G171 PolarHBondContact OD2-N 3.22Å; D169-G171 VanDerWaalsContact OD2-N 3.09Å
172	R	88.6	Confident	88.7	Confident	219 Å²	219	60.8 Å²	60.8	83%	0.826	30%	0.304	S	S	*	.	S	Bend	trans	-111.7	9	175.7	-60.5	-175.4	178.7	-179.4	0.1	112.2	N170	N170-R172 PolarHBondContact O-N 2.84Å; N170-R172 WeakPolarHBondContact OD1-CA 2.94Å; N170-R172 WeakPolarHBondContact OD1-CB 3.1Å; N170-R172 PolarHBondContact OD1-N 3.41Å
173	G	85.1	Confident	88.4	Confident	5 Å²	5	66.6 Å²	66.6	5%	0.052	33%	0.334	C	S	.	.			trans	71.7	35.8	-179.1	0	0	0	0	0	113.2	D169 S175 R176	D169-G173 VanDerWaalsContact OD1-C 3.24Å; D169-G173 WeakPolarHBondContact OD1-CA 3.48Å; D169-G173 PolarHBondContact OD1-N 2.97Å; D169-G173 WeakPolarHBondContact OD2-CA 3.37Å; D169-G173 PolarHBondContact OD2-N 3.12Å; G173-S175 VanDerWaalsContact C-N 3.28Å; G173-S175 PolarHBondContact O-N 2.84Å; G173-R176 WeakPolarHBondContact O-CG 3.34Å
174	K	89.6	Confident	88.1	Confident	106 Å²	106	70.5 Å²	70.5	46%	0.461	35%	0.352	S	S	.	.	H	α-helix	trans	-58.1	-43	170.8	-178.6	-169.1	176.5	-153	0	110.6	E167 D169 N170 R176 L177	E167-K174 IonicContact OE2-NZ 3.53Å; D169-K174 PolarHBondContact OD1-N 3.14Å; N170-K174 HydrophobicContact CB-CB 4.49Å; N170-K174 VanDerWaalsContact OD1-CB 3.32Å; N170-K174 WeakPolarHBondContact OD1-CB 3.44Å; N170-K174 PolarHBondContact OD1-N 2.77Å; K174-R176 VanDerWaalsContact C-N 3.31Å; K174-R176 PolarHBondContact O-N 2.83Å; K174-L177 WeakPolarHBondContact O-CB 3.39Å; K174-L177 PolarHBondContact O-N 3.34Å
175	S	88	Confident	88	Confident	5 Å²	5	69.4 Å²	69.4	4%	0.035	35%	0.345	C	S	.	.	H	α-helix	trans	-64.1	-35.1	-174.9	67.7	0	0	0	0	112.8	T158 D169 G173 L177	T158-S175 WeakPolarHBondContact CA-OG 3.3Å; T158-S175 VanDerWaalsContact CG2-OG 3.28Å; T158-S175 WeakPolarHBondContact CG2-OG 3.44Å; T158-S175 PolarHBondContact O-OG 3.07Å; D169-S175 PolarHBondContact OD1-N 2.91Å; D169-S175 PolarHBondContact OD1-OG 3.32Å; G173-S175 VanDerWaalsContact C-N 3.28Å; G173-S175 PolarHBondContact O-N 2.84Å; S175-L177 PolarHBondContact O-N 3.22Å
176	R	88	Confident	87.9	Confident	56 Å²	56	69.1 Å²	69.1	21%	0.211	35%	0.347	C	S	.	.	H	α-helix	trans	-74.7	-20.6	179.3	65	169.6	-174.8	-160.9	1	114.3	G173 K174 N178 L179 F180 G189	G173-R176 WeakPolarHBondContact O-CG 3.34Å; K174-R176 VanDerWaalsContact C-N 3.31Å; K174-R176 PolarHBondContact O-N 2.83Å; R176-N178 PolarHBondContact O-N 3.48Å; R176-L179 WeakPolarHBondContact O-CB 3.06Å; R176-L179 PolarHBondContact O-N 3.08Å; R176-F180 HydrophobicContact CG-CZ 4.34Å; R176-G189 PolarHBondContact NH1-O 2.83Å
177	L	87.2	Confident	88.1	Confident	82 Å²	82	74.2 Å²	74.2	43%	0.429	37%	0.366	S	S	.	.	H	α-helix	trans	-60.7	-32.2	-177.4	-70	175.7	0	0	0	111.9	K174 S175 L179 F180	K174-L177 WeakPolarHBondContact O-CB 3.39Å; K174-L177 PolarHBondContact O-N 3.34Å; S175-L177 PolarHBondContact O-N 3.22Å; L177-L179 PolarHBondContact O-N 3.34Å; L177-F180 HydrophobicContact CD2-CD2 4.16Å; L177-F180 HydrophobicContact CD2-CE2 4.3Å; L177-F180 PolarHBondContact O-N 2.94Å
178	N	81.7	Confident	87.9	Confident	104 Å²	104	72.6 Å²	72.6	56%	0.556	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-11.5	178.8	-63.2	-38.1	0	0	0	113.5	Q165 R176	Q165-N178 VanDerWaalsContact CD-ND2 3.28Å; Q165-N178 PolarHBondContact NE2-ND2 2.86Å; Q165-N178 PolarHBondContact OE1-ND2 2.92Å; R176-N178 PolarHBondContact O-N 3.48Å
179	L	85.6	Confident	87.5	Confident	20 Å²	20	69.4 Å²	69.4	11%	0.105	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-17.6	177.5	-61.8	174.1	0	0	0	113.3	S157 L160 R176 L177 S195	S157-L179 WeakPolarHBondContact O-CD1 3.31Å; L160-L179 HydrophobicContact CB-CD1 3.92Å; L160-L179 HydrophobicContact CD2-CD1 3.9Å; L160-L179 HydrophobicContact CD2-CD2 4.38Å; L160-L179 HydrophobicContact CG-CD1 3.88Å; R176-L179 WeakPolarHBondContact O-CB 3.06Å; R176-L179 PolarHBondContact O-N 3.08Å; L177-L179 PolarHBondContact O-N 3.34Å; L179-S195 PolarHBondContact O-OG 2.99Å
180	F	86.6	Confident	87.1	Confident	20 Å²	20	73.4 Å²	73.4	9%	0.088	37%	0.368	C	S	.	.			trans	-72.6	132.3	179.5	-70.2	-19.4	0	0	0	110.9	R176 L177 E185 V186	R176-F180 HydrophobicContact CG-CZ 4.34Å; L177-F180 HydrophobicContact CD2-CD2 4.16Å; L177-F180 HydrophobicContact CD2-CE2 4.3Å; L177-F180 PolarHBondContact O-N 2.94Å; F180-E185 WeakPolarHBondContact CA-OE2 3.45Å; F180-E185 HydrophobicContact CB-CB 4Å; F180-E185 HydrophobicContact CD1-CB 3.83Å; F180-E185 HydrophobicContact CD2-CB 4.22Å; F180-E185 HydrophobicContact CE1-CB 4.32Å; F180-E185 VanDerWaalsContact CE2-O 3.31Å; F180-E185 WeakPolarHBondContact CE2-O 3.39Å; F180-E185 HydrophobicContact CG-CB 3.77Å; F180-V186 HydrophobicContact CB-CG2 4Å; F180-V186 HydrophobicContact CD2-CB 4.42Å; F180-V186 HydrophobicContact CD2-CG2 4.02Å
181	R	84	Confident	86.8	Confident	112 Å²	112	69.8 Å²	69.8	42%	0.423	35%	0.349	S	S	.	.			trans	-106.2	-18.6	-176.6	-67.5	-178.8	174.4	169.5	4.1	112.9	E185 I194 S195	R181-E185 PolarHBondContact N-OE2 3.33Å; R181-I194 PolarHBondContact NH1-O 2.77Å; R181-S195 PolarHBondContact NE-OG 2.8Å
182	H	86.7	Confident	86.8	Confident	86 Å²	86	68 Å²	68	40%	0.398	33%	0.328	S	S	.	.	S	Bend	trans	-127.7	147.6	-174.4	-54.7	-58.9	0	0	0	112.1	H184 E185 V186	H182-H184 VanDerWaalsContact C-N 3.27Å; H182-H184 WeakPolarHBondContact CB-CE1 3.29Å; H182-H184 AromaticContact CD2-CE1 3.87Å; H182-H184 AromaticContact CG-CE1 3.66Å; H182-H184 PolarHBondContact O-N 2.87Å; H182-E185 HydrophobicContact CB-CG 4.16Å; H182-E185 IonicContact CD2-OE1 3.9Å; H182-E185 PolarHBondContact N-OE2 2.84Å; H182-E185 WeakPolarHBondContact O-CB 3.45Å; H182-E185 PolarHBondContact O-N 2.87Å; H182-V186 PolarHBondContact O-N 2.76Å
183	L	86.4	Confident	86.7	Confident	129 Å²	129	58.5 Å²	58.5	68%	0.675	30%	0.295	S	S	*	.	H	α-helix	trans	-56.6	-40.3	-179.9	-179.7	60.7	0	0	0	112.3	E185 V186 L187	L183-E185 VanDerWaalsContact C-N 3.26Å; L183-E185 PolarHBondContact O-N 3.26Å; L183-V186 WeakPolarHBondContact O-CB 3.5Å; L183-V186 PolarHBondContact O-N 2.84Å; L183-L187 HydrophobicContact CD1-CD1 4.37Å; L183-L187 HydrophobicContact CD1-CG 4.24Å; L183-L187 HydrophobicContact CD2-CD1 4.48Å; L183-L187 HydrophobicContact CG-CD1 3.95Å; L183-L187 HydrophobicContact CG-CG 4.26Å; L183-L187 WeakPolarHBondContact O-CG 3.08Å; L183-L187 PolarHBondContact O-N 3.43Å
184	H	87.5	Confident	87	Confident	90 Å²	90	59.4 Å²	59.4	42%	0.417	30%	0.299	S	S	.	.	H	α-helix	trans	-68.1	-24.1	178.5	64.3	-91.4	0	0	0	113.2	H182 S188 S192	H182-H184 VanDerWaalsContact C-N 3.27Å; H182-H184 WeakPolarHBondContact CB-CE1 3.29Å; H182-H184 AromaticContact CD2-CE1 3.87Å; H182-H184 AromaticContact CG-CE1 3.66Å; H182-H184 PolarHBondContact O-N 2.87Å; H184-S188 WeakPolarHBondContact O-CB 3.3Å; H184-S188 PolarHBondContact O-N 2.69Å; H184-S188 PolarHBondContact O-OG 2.77Å; H184-S192 PolarHBondContact NE2-OG 3.43Å
185	E	88.4	Confident	86.9	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-69.4	-42.3	172.2	-62.4	-178.2	156.2	0	0	110.1	F180 R181 H182 L183 G189 R190 S192 S193	F180-E185 WeakPolarHBondContact CA-OE2 3.45Å; F180-E185 HydrophobicContact CB-CB 4Å; F180-E185 HydrophobicContact CD1-CB 3.83Å; F180-E185 HydrophobicContact CD2-CB 4.22Å; F180-E185 HydrophobicContact CE1-CB 4.32Å; F180-E185 VanDerWaalsContact CE2-O 3.31Å; F180-E185 WeakPolarHBondContact CE2-O 3.39Å; F180-E185 HydrophobicContact CG-CB 3.77Å; R181-E185 PolarHBondContact N-OE2 3.33Å; H182-E185 HydrophobicContact CB-CG 4.16Å; H182-E185 IonicContact CD2-OE1 3.9Å; H182-E185 PolarHBondContact N-OE2 2.84Å; H182-E185 WeakPolarHBondContact O-CB 3.45Å; H182-E185 PolarHBondContact O-N 2.87Å; L183-E185 VanDerWaalsContact C-N 3.26Å; L183-E185 PolarHBondContact O-N 3.26Å; E185-G189 VanDerWaalsContact O-CA 3.23Å; E185-G189 WeakPolarHBondContact O-CA 3.35Å; E185-G189 PolarHBondContact O-N 3.45Å; E185-R190 WeakPolarHBondContact CA-O 3.32Å; E185-R190 WeakPolarHBondContact CG-O 3.34Å; E185-R190 PolarHBondContact O-N 2.89Å; E185-S192 VanDerWaalsContact CG-OG 3.31Å; E185-S192 WeakPolarHBondContact CG-OG 3.47Å; E185-S192 WeakPolarHBondContact OE1-CA 3.42Å; E185-S192 PolarHBondContact OE1-N 2.87Å; E185-S192 PolarHBondContact OE1-OG 3.44Å; E185-S193 PolarHBondContact OE1-N 2.93Å; E185-S193 PolarHBondContact OE1-OG 3.38Å
186	V	87.2	Confident	87	Confident	53 Å²	53	57.5 Å²	57.5	32%	0.321	29%	0.29	S	S	.	.	H	α-helix	trans	-62.5	-46.7	174.5	-176.7	0	0	0	0	111	F180 H182 L183	F180-V186 HydrophobicContact CB-CG2 4Å; F180-V186 HydrophobicContact CD2-CB 4.42Å; F180-V186 HydrophobicContact CD2-CG2 4.02Å; H182-V186 PolarHBondContact O-N 2.76Å; L183-V186 WeakPolarHBondContact O-CB 3.5Å; L183-V186 PolarHBondContact O-N 2.84Å
187	L	88.6	Confident	87.1	Confident	138 Å²	138	55.2 Å²	55.2	72%	0.723	28%	0.284	S	S	*	.	H	α-helix	trans	-68.8	-41.2	-178.4	-67.4	175.2	0	0	0	112.9	L183	L183-L187 HydrophobicContact CD1-CD1 4.37Å; L183-L187 HydrophobicContact CD1-CG 4.24Å; L183-L187 HydrophobicContact CD2-CD1 4.48Å; L183-L187 HydrophobicContact CG-CD1 3.95Å; L183-L187 HydrophobicContact CG-CG 4.26Å; L183-L187 WeakPolarHBondContact O-CG 3.08Å; L183-L187 PolarHBondContact O-N 3.43Å
188	S	86.7	Confident	87.3	Confident	59 Å²	59	51.6 Å²	51.6	41%	0.413	27%	0.265	S	S	.	.	H	α-helix	trans	-86.3	-16.1	-179.3	66.9	0	0	0	0	113.7	H184 R190	H184-S188 WeakPolarHBondContact O-CB 3.3Å; H184-S188 PolarHBondContact O-N 2.69Å; H184-S188 PolarHBondContact O-OG 2.77Å; S188-R190 PolarHBondContact O-N 2.67Å; S188-R190 PolarHBondContact OG-N 2.97Å
189	G	84.4	Confident	87.8	Confident	20 Å²	20	46.7 Å²	46.7	21%	0.206	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	17	-171.1	0	0	0	0	0	114.1	R176 E185	R176-G189 PolarHBondContact NH1-O 2.83Å; E185-G189 VanDerWaalsContact O-CA 3.23Å; E185-G189 WeakPolarHBondContact O-CA 3.35Å; E185-G189 PolarHBondContact O-N 3.45Å
190	R	86.4	Confident	88	Confident	96 Å²	96	45.7 Å²	45.7	36%	0.362	23%	0.234	S	C	.	.			trans	-121.8	129.7	-174.3	-68.1	173.1	169.7	179.4	-8.3	111.4	D152 E185 S188 S192 H234	D152-R190 IonicContact OD2-CZ 3.06Å; D152-R190 IonicContact OD2-NE 2.68Å; D152-R190 PolarHBondContact OD2-NE 3.26Å; D152-R190 IonicContact OD2-NH2 2.73Å; D152-R190 PolarHBondContact OD2-NH2 2.84Å; E185-R190 WeakPolarHBondContact CA-O 3.32Å; E185-R190 WeakPolarHBondContact CG-O 3.34Å; E185-R190 PolarHBondContact O-N 2.89Å; S188-R190 PolarHBondContact O-N 2.67Å; S188-R190 PolarHBondContact OG-N 2.97Å; R190-S192 PolarHBondContact O-N 2.93Å; R190-H234 PolarHBondContact NH1-CD2 3.19Å; R190-H234 VanDerWaalsContact NH1-CD2 3.29Å; R190-H234 PolarHBondContact NH1-NE2 2.69Å; R190-H234 VanDerWaalsContact NH1-NE2 3.14Å; R190-H234 PolarHBondContact NH2-CD2 2.98Å
191	T	86.7	Confident	88.1	Confident	12 Å²	12	44.8 Å²	44.8	7%	0.074	23%	0.23	C	C	.	.			trans	-64.6	129.7	170.5	-49.3	0	0	0	0	110.1	S157 S193 D230 A232	S157-T191 PolarHBondContact OG-OG1 3.08Å; T191-S193 VanDerWaalsContact CG2-O 3.22Å; T191-S193 WeakPolarHBondContact CG2-O 3.08Å; T191-D230 PolarHBondContact OG1-OD2 3.38Å; T191-A232 WeakPolarHBondContact O-CB 3.23Å
192	S	89.1	Confident	88	Confident	15 Å²	15	40.9 Å²	40.9	11%	0.105	22%	0.217	C	C	.	.			trans	-119.4	-25.7	179.5	70.2	0	0	0	0	112.7	H184 E185 R190	H184-S192 PolarHBondContact NE2-OG 3.43Å; E185-S192 VanDerWaalsContact CG-OG 3.31Å; E185-S192 WeakPolarHBondContact CG-OG 3.47Å; E185-S192 WeakPolarHBondContact OE1-CA 3.42Å; E185-S192 PolarHBondContact OE1-N 2.87Å; E185-S192 PolarHBondContact OE1-OG 3.44Å; R190-S192 PolarHBondContact O-N 2.93Å
193	S	87.6	Confident	87.4	Confident	20 Å²	20	42 Å²	42	14%	0.14	23%	0.226	C	C	.	.	S	Bend	trans	-109.4	163.2	-177.7	64.6	0	0	0	0	111.6	E185 T191 S195	E185-S193 PolarHBondContact OE1-N 2.93Å; E185-S193 PolarHBondContact OE1-OG 3.38Å; T191-S193 VanDerWaalsContact CG2-O 3.22Å; T191-S193 WeakPolarHBondContact CG2-O 3.08Å; S193-S195 PolarHBondContact O-N 3.39Å
194	I	89.9	Confident	86.9	Confident	25 Å²	25	43 Å²	43	13%	0.128	23%	0.227	C	C	.	.			trans	-82.2	114.3	175.3	-56.1	-179.7	0	0	0	108.1	R181 F196 I229 L231 T240 Y248	R181-I194 PolarHBondContact NH1-O 2.77Å; I194-F196 HydrophobicContact CG2-CE1 4.25Å; I194-F196 HydrophobicContact CG2-CE2 4.38Å; I194-F196 HydrophobicContact CG2-CZ 3.85Å; I194-I229 HydrophobicContact CG2-CG2 3.46Å; I194-I229 VanDerWaalsContact CG2-CG2 3.46Å; I194-L231 HydrophobicContact CB-CD2 4.32Å; I194-L231 HydrophobicContact CD1-CD2 4.13Å; I194-L231 HydrophobicContact CG1-CD2 3.75Å; I194-L231 HydrophobicContact CG2-CD2 3.96Å; I194-T240 HydrophobicContact CD1-CG2 4.13Å; I194-T240 HydrophobicContact CG1-CG2 3.56Å; I194-Y248 HydrophobicContact CD1-CE2 3.99Å
195	S	88.5	Confident	86.5	Confident	3 Å²	3	39.5 Å²	39.5	2%	0.021	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	150.7	176.6	-81.1	0	0	0	0	111.3	L179 R181 S193 I229 D230	L179-S195 PolarHBondContact O-OG 2.99Å; R181-S195 PolarHBondContact NE-OG 2.8Å; S193-S195 PolarHBondContact O-N 3.39Å; S195-I229 CarbonylContact O-C 3.54Å; S195-I229 WeakPolarHBondContact O-CA 3.06Å; S195-D230 PolarHBondContact N-O 3.49Å; S195-D230 PolarHBondContact O-N 3.12Å
196	F	89.8	Confident	86.4	Confident	67 Å²	67	43.5 Å²	43.5	29%	0.294	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	142.5	176.8	-55.8	-80.7	0	0	0	109.4	I194 T227 F228 I229 Y248	I194-F196 HydrophobicContact CG2-CE1 4.25Å; I194-F196 HydrophobicContact CG2-CE2 4.38Å; I194-F196 HydrophobicContact CG2-CZ 3.85Å; F196-T227 HydrophobicContact CD1-CG2 4.25Å; F196-F228 VanDerWaalsContact CA-O 3.28Å; F196-F228 WeakPolarHBondContact CA-O 3.24Å; F196-I229 HydrophobicContact CD1-CG1 3.98Å; F196-I229 HydrophobicContact CE1-CD1 4.35Å; F196-I229 HydrophobicContact CE1-CG1 3.92Å; F196-I229 HydrophobicContact CE1-CG2 4.16Å; F196-Y248 AromaticContact CE1-CD1 3.83Å; F196-Y248 HydrophobicContact CE1-CD1 3.83Å; F196-Y248 AromaticContact CE1-CE1 3.4Å; F196-Y248 HydrophobicContact CE1-CE1 3.4Å; F196-Y248 VanDerWaalsContact CE1-CE1 3.4Å; F196-Y248 HydrophobicContact CE2-CE1 4.49Å; F196-Y248 HydrophobicContact CZ-CD1 4.12Å; F196-Y248 AromaticContact CZ-CE1 3.23Å; F196-Y248 HydrophobicContact CZ-CE1 3.23Å; F196-Y248 AromaticContact CZ-CZ 3.65Å
197	G	90.3	Very high	86.5	Confident	9 Å²	9	41.6 Å²	41.6	9%	0.093	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	145.6	168.7	0	0	0	0	0	109.6	F228	G197-F228 PolarHBondContact N-O 3.18Å; G197-F228 WeakPolarHBondContact O-CA 3.4Å; G197-F228 WeakPolarHBondContact O-CB 3.45Å; G197-F228 PolarHBondContact O-N 3.09Å
198	I	91.2	Very high	86.4	Confident	6 Å²	6	35.8 Å²	35.8	3%	0.031	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	145.8	-178.7	64	170.5	0	0	0	111.2	N209 D215 I218 V225 I226 T227 I447	I198-N209 PolarHBondContact O-ND2 2.73Å; I198-D215 HydrophobicContact CD1-CB 3.78Å; I198-D215 WeakPolarHBondContact CD1-O 3.49Å; I198-I218 HydrophobicContact CD1-CB 3.9Å; I198-I218 HydrophobicContact CD1-CD1 4.26Å; I198-I218 HydrophobicContact CD1-CG2 3.83Å; I198-I218 HydrophobicContact CG1-CD1 4.34Å; I198-I218 HydrophobicContact CG1-CG2 4.36Å; I198-V225 HydrophobicContact CB-CG1 4.18Å; I198-V225 HydrophobicContact CG2-CG1 4.4Å; I198-I226 WeakPolarHBondContact CA-O 3.22Å; I198-T227 HydrophobicContact CG2-CG2 4.4Å; I198-I447 HydrophobicContact CD1-CG2 3.96Å; I198-I447 HydrophobicContact CG2-CD1 4.48Å; I198-I447 HydrophobicContact CG2-CG2 3.62Å
199	V	92.7	Very high	86.3	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	120.7	166.8	-177.9	0	0	0	0	108	L163 T164 F201 N209 V225 I226 F228 L371	L163-V199 HydrophobicContact CB-CG2 3.97Å; T164-V199 HydrophobicContact CG2-CG2 4.35Å; V199-F201 HydrophobicContact CB-CE2 4.42Å; V199-F201 HydrophobicContact CG1-CD2 4.48Å; V199-F201 HydrophobicContact CG1-CE1 4.36Å; V199-F201 HydrophobicContact CG1-CE2 3.73Å; V199-F201 HydrophobicContact CG1-CZ 3.67Å; V199-N209 VanDerWaalsContact CA-OD1 3.31Å; V199-N209 WeakPolarHBondContact CA-OD1 3.48Å; V199-V225 WeakPolarHBondContact O-CA 3.4Å; V199-I226 PolarHBondContact N-O 3.45Å; V199-I226 PolarHBondContact O-N 3.42Å; V199-F228 HydrophobicContact CB-CE2 4.03Å; V199-F228 HydrophobicContact CG2-CD2 3.88Å; V199-F228 HydrophobicContact CG2-CE2 3.59Å; V199-L371 HydrophobicContact CG1-CD2 4.14Å
200	G	89.9	Confident	85.6	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	139.1	179.2	0	0	0	0	0	112.2	A207 L208 N209 S222	G200-A207 CarbonylContact O-C 3.54Å; G200-A207 WeakPolarHBondContact O-CA 3.36Å; G200-L208 PolarHBondContact O-N 2.88Å; G200-N209 PolarHBondContact N-OD1 2.97Å; G200-S222 WeakPolarHBondContact CA-OG 3.23Å
201	F	88.6	Confident	84.5	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	137.7	176.4	-59.4	-88.2	0	0	0	110.3	V199 I206 A207 S222 E223 K224 I226 L371 L374 Y375	V199-F201 HydrophobicContact CB-CE2 4.42Å; V199-F201 HydrophobicContact CG1-CD2 4.48Å; V199-F201 HydrophobicContact CG1-CE1 4.36Å; V199-F201 HydrophobicContact CG1-CE2 3.73Å; V199-F201 HydrophobicContact CG1-CZ 3.67Å; F201-I206 WeakPolarHBondContact CA-O 3.44Å; F201-A207 HydrophobicContact CD1-CB 4.32Å; F201-A207 HydrophobicContact CE1-CB 4.15Å; F201-S222 CarbonylContact O-C 3.44Å; F201-S222 VanDerWaalsContact O-CA 3.3Å; F201-S222 WeakPolarHBondContact O-CA 3.34Å; F201-E223 PolarHBondContact O-N 2.87Å; F201-K224 HydrophobicContact CB-CB 4.43Å; F201-K224 PolarHBondContact N-O 2.83Å; F201-K224 PolarHBondContact O-N 2.85Å; F201-I226 HydrophobicContact CE2-CD1 3.8Å; F201-I226 HydrophobicContact CE2-CG1 4.18Å; F201-L371 HydrophobicContact CE1-CB 4.27Å; F201-L371 HydrophobicContact CE1-CD2 4.07Å; F201-L371 WeakPolarHBondContact CE1-O 3.49Å; F201-L371 HydrophobicContact CZ-CD2 4.03Å; F201-L374 HydrophobicContact CE2-CB 4.24Å; F201-L374 HydrophobicContact CZ-CB 3.82Å; F201-Y375 HydrophobicContact CB-CD2 3.57Å; F201-Y375 HydrophobicContact CB-CE2 4.06Å; F201-Y375 HydrophobicContact CD1-CD2 4.18Å; F201-Y375 HydrophobicContact CD1-CG 4.39Å; F201-Y375 HydrophobicContact CD2-CD2 4.48Å; F201-Y375 AromaticContact CG-CD2 3.84Å; F201-Y375 HydrophobicContact CG-CD2 3.84Å; F201-Y375 HydrophobicContact CG-CG 4.46Å
202	D	82	Confident	83.6	Confident	30 Å²	30	50.5 Å²	50.5	16%	0.16	24%	0.242	C	C	.	.			trans	-77.4	-176	168.4	68.1	15.9	0	0	0	112.1	Q204 G205 I206 L208 Y375	D202-Q204 PolarHBondContact O-N 2.76Å; D202-Q204 WeakPolarHBondContact OD1-CA 3.36Å; D202-Q204 WeakPolarHBondContact OD1-CB 3.07Å; D202-Q204 PolarHBondContact OD1-N 3.35Å; D202-G205 PolarHBondContact O-N 2.95Å; D202-G205 VanDerWaalsContact O-N 3.14Å; D202-G205 PolarHBondContact OD1-N 2.93Å; D202-I206 PolarHBondContact N-O 2.87Å; D202-I206 VanDerWaalsContact N-O 3.1Å; D202-I206 PolarHBondContact OD1-N 3.41Å; D202-L208 HydrophobicContact CB-CD2 4.22Å; D202-Y375 WeakPolarHBondContact O-CE2 3.3Å
203	N	72.9	Confident	82.6	Confident	111 Å²	111	51.3 Å²	51.3	59%	0.594	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-15.1	179.1	65.2	-18.4	0	0	0	114.3	E223 Y375	N203-E223 WeakPolarHBondContact CA-OE2 3.32Å; N203-E223 WeakPolarHBondContact CB-OE2 3.4Å; N203-Y375 PolarHBondContact O-OH 3.07Å; N203-Y375 VanDerWaalsContact O-OH 3.12Å
204	Q	77.5	Confident	82.1	Confident	149 Å²	149	53.3 Å²	53.3	70%	0.696	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-5.1	174.9	-62.6	-174.8	-17.1	0	0	111.8	D202 I206	D202-Q204 PolarHBondContact O-N 2.76Å; D202-Q204 WeakPolarHBondContact OD1-CA 3.36Å; D202-Q204 WeakPolarHBondContact OD1-CB 3.07Å; D202-Q204 PolarHBondContact OD1-N 3.35Å; Q204-I206 HydrophobicContact CB-CD1 4.27Å; Q204-I206 HydrophobicContact CB-CG1 4.22Å
205	G	77.6	Confident	81.6	Confident	16 Å²	16	54.8 Å²	54.8	17%	0.165	27%	0.265	C	S	.	.			trans	81	15.7	-176.7	0	0	0	0	0	114	D202 Y375	D202-G205 PolarHBondContact O-N 2.95Å; D202-G205 VanDerWaalsContact O-N 3.14Å; D202-G205 PolarHBondContact OD1-N 2.93Å; G205-Y375 VanDerWaalsContact CA-CE1 3.49Å
206	I	86.5	Confident	81	Confident	84 Å²	84	58.5 Å²	58.5	43%	0.431	28%	0.282	S	S	.	.			trans	-83.8	131	177	-57.1	173.8	0	0	0	108.9	F201 D202 Q204 L208	F201-I206 WeakPolarHBondContact CA-O 3.44Å; D202-I206 PolarHBondContact N-O 2.87Å; D202-I206 VanDerWaalsContact N-O 3.1Å; D202-I206 PolarHBondContact OD1-N 3.41Å; Q204-I206 HydrophobicContact CB-CD1 4.27Å; Q204-I206 HydrophobicContact CB-CG1 4.22Å; I206-L208 PolarHBondContact O-N 3.49Å
207	A	89.4	Confident	80.5	Confident	14 Å²	14	58.5 Å²	58.5	12%	0.116	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-71.2	122.6	176.1	0	0	0	0	0	111.2	G200 F201 L371	G200-A207 CarbonylContact O-C 3.54Å; G200-A207 WeakPolarHBondContact O-CA 3.36Å; F201-A207 HydrophobicContact CD1-CB 4.32Å; F201-A207 HydrophobicContact CE1-CB 4.15Å; A207-L371 HydrophobicContact CB-CD1 4.17Å; A207-L371 HydrophobicContact CB-CD2 4.12Å
208	L	86	Confident	80.2	Confident	15 Å²	15	58.2 Å²	58.2	8%	0.079	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-78.2	-19.1	-175.9	-65.7	179	0	0	0	113.5	G200 D202 I206 R210 R211 H213 R221	G200-L208 PolarHBondContact O-N 2.88Å; D202-L208 HydrophobicContact CB-CD2 4.22Å; I206-L208 PolarHBondContact O-N 3.49Å; L208-R210 PolarHBondContact O-N 3.13Å; L208-R211 PolarHBondContact O-N 3Å; L208-H213 PolarHBondContact O-CD2 3.45Å; L208-R221 HydrophobicContact CD1-CB 3.66Å
209	N	85.5	Confident	79.6	Confident	7 Å²	7	58.3 Å²	58.3	4%	0.037	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-59.8	-20.7	-176	-70.6	72.1	0	0	0	115	T164 I198 V199 G200 R211	T164-N209 WeakPolarHBondContact O-CB 3.31Å; T164-N209 PolarHBondContact O-ND2 3.46Å; I198-N209 PolarHBondContact O-ND2 2.73Å; V199-N209 VanDerWaalsContact CA-OD1 3.31Å; V199-N209 WeakPolarHBondContact CA-OD1 3.48Å; G200-N209 PolarHBondContact N-OD1 2.97Å; N209-R211 PolarHBondContact O-N 3.35Å
210	R	70.2	Confident	78.7	Confident	153 Å²	153	60.1 Å²	60.1	58%	0.577	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-68.5	-12.1	-178.7	-64.3	-176.1	176.3	-174.8	0.2	114.5	L208	L208-R210 PolarHBondContact O-N 3.13Å
211	R	63.3	Low	78.1	Confident	178 Å²	178	66.2 Å²	66.2	67%	0.672	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-105.8	23.4	-172.2	-63.5	-176.4	-178.5	177	2.3	114.3	L208 N209 H213	L208-R211 PolarHBondContact O-N 3Å; N209-R211 PolarHBondContact O-N 3.35Å; R211-H213 WeakPolarHBondContact CB-NE2 3.43Å; R211-H213 PolarHBondContact O-N 2.94Å; R211-H213 VanDerWaalsContact O-N 3.17Å
212	Q	68.2	Low	77.7	Confident	158 Å²	158	66.3 Å²	66.3	74%	0.738	31%	0.314	S	S	*	.			trans	52.6	34.2	-178.6	-62.4	-177.3	-14.9	0	0	114
213	H	66.8	Low	77.4	Confident	33 Å²	33	68.8 Å²	68.8	15%	0.153	33%	0.325	C	S	.	.			trans	-70.9	143	175.6	-72.2	-47.8	0	0	0	111.1	L208 R211 E217 I218 R221	L208-H213 PolarHBondContact O-CD2 3.45Å; R211-H213 WeakPolarHBondContact CB-NE2 3.43Å; R211-H213 PolarHBondContact O-N 2.94Å; R211-H213 VanDerWaalsContact O-N 3.17Å; H213-E217 HydrophobicContact CB-CB 4.01Å; H213-E217 IonicContact CE1-OE2 2.65Å; H213-E217 IonicContact CG-OE2 3.21Å; H213-E217 IonicContact ND1-OE2 3.61Å; H213-E217 PolarHBondContact ND1-OE2 3.45Å; H213-I218 HydrophobicContact CB-CD1 4.21Å; H213-I218 HydrophobicContact CB-CG1 3.53Å; H213-R221 PolarHBondContact CE1-NH1 3Å; H213-R221 PolarHBondContact NE2-NH1 3.3Å
214	C	77.2	Confident	78	Confident	61 Å²	61	64.5 Å²	64.5	41%	0.412	30%	0.301	S	S	.	.			trans	-71.4	161.1	169.5	72.2	0	0	0	0	110.5	E216 E217 I218	C214-E216 PolarHBondContact O-N 3.02Å; C214-E216 VanDerWaalsContact O-N 3.11Å; C214-E217 PolarHBondContact O-N 3.09Å; C214-E217 VanDerWaalsContact O-N 3.08Å; C214-E217 WeakPolarHBondContact SG-CG 3.5Å; C214-E217 PolarHBondContact SG-N 3.16Å; C214-E217 VanDerWaalsContact SG-N 3.36Å; C214-I218 WeakPolarHBondContact O-CG1 3.3Å; C214-I218 PolarHBondContact O-N 2.99Å
215	D	79.6	Confident	78.6	Confident	56 Å²	56	57.4 Å²	57.4	30%	0.299	27%	0.267	S	S	.	.	H	α-helix	trans	-55.6	-35.1	-177.9	-70.1	-22.4	0	0	0	112.5	I198 C219 I447 R448	I198-D215 HydrophobicContact CD1-CB 3.78Å; I198-D215 WeakPolarHBondContact CD1-O 3.49Å; D215-C219 WeakPolarHBondContact O-CB 3.23Å; D215-C219 PolarHBondContact O-N 2.83Å; D215-C219 PolarHBondContact O-SG 2.66Å; D215-C219 VanDerWaalsContact O-SG 3.41Å; D215-I447 HydrophobicContact CB-CG2 4.33Å; D215-R448 IonicContact OD2-NH1 3.46Å
216	E	76.5	Confident	79.3	Confident	82 Å²	82	56.6 Å²	56.6	38%	0.383	26%	0.26	S	S	.	.	H	α-helix	trans	-66.6	-47.9	177	-177.4	168.8	-165.5	0	0	112.4	C214 I218 C219 N220 V449	C214-E216 PolarHBondContact O-N 3.02Å; C214-E216 VanDerWaalsContact O-N 3.11Å; E216-I218 VanDerWaalsContact C-N 3.32Å; E216-I218 PolarHBondContact O-N 3.05Å; E216-C219 PolarHBondContact O-N 2.84Å; E216-N220 VanDerWaalsContact O-CG 3.23Å; E216-N220 PolarHBondContact O-N 2.86Å; E216-N220 PolarHBondContact O-ND2 3.23Å; E216-V449 HydrophobicContact CB-CG2 3.78Å; E216-V449 HydrophobicContact CG-CG1 4.35Å; E216-V449 HydrophobicContact CG-CG2 3.81Å
217	E	79.5	Confident	79.5	Confident	66 Å²	66	53.5 Å²	53.5	31%	0.308	25%	0.245	S	C	.	.	H	α-helix	trans	-61	-41.4	176.7	-79	172.7	-166.3	0	0	111.8	H213 C214 N220 R221	H213-E217 HydrophobicContact CB-CB 4.01Å; H213-E217 IonicContact CE1-OE2 2.65Å; H213-E217 IonicContact CG-OE2 3.21Å; H213-E217 IonicContact ND1-OE2 3.61Å; H213-E217 PolarHBondContact ND1-OE2 3.45Å; C214-E217 PolarHBondContact O-N 3.09Å; C214-E217 VanDerWaalsContact O-N 3.08Å; C214-E217 WeakPolarHBondContact SG-CG 3.5Å; C214-E217 PolarHBondContact SG-N 3.16Å; C214-E217 VanDerWaalsContact SG-N 3.36Å; E217-N220 PolarHBondContact O-N 2.87Å; E217-R221 WeakPolarHBondContact O-CB 3.3Å; E217-R221 WeakPolarHBondContact O-CG 3.45Å; E217-R221 PolarHBondContact O-N 2.84Å
218	I	83.1	Confident	79.8	Confident	3 Å²	3	53 Å²	53	2%	0.015	24%	0.239	C	C	.	.	H	α-helix	trans	-60.9	-50.2	175.8	-64.3	170.9	0	0	0	109.3	I198 H213 C214 E216 N220 R221 S222	I198-I218 HydrophobicContact CD1-CB 3.9Å; I198-I218 HydrophobicContact CD1-CD1 4.26Å; I198-I218 HydrophobicContact CD1-CG2 3.83Å; I198-I218 HydrophobicContact CG1-CD1 4.34Å; I198-I218 HydrophobicContact CG1-CG2 4.36Å; H213-I218 HydrophobicContact CB-CD1 4.21Å; H213-I218 HydrophobicContact CB-CG1 3.53Å; C214-I218 WeakPolarHBondContact O-CG1 3.3Å; C214-I218 PolarHBondContact O-N 2.99Å; E216-I218 VanDerWaalsContact C-N 3.32Å; E216-I218 PolarHBondContact O-N 3.05Å; I218-N220 VanDerWaalsContact C-N 3.29Å; I218-N220 PolarHBondContact O-N 3.49Å; I218-R221 PolarHBondContact O-N 3.34Å; I218-S222 WeakPolarHBondContact O-CB 3.19Å; I218-S222 PolarHBondContact O-N 3.23Å; I218-S222 PolarHBondContact O-OG 2.99Å
219	C	79.6	Confident	80.2	Confident	9 Å²	9	52.2 Å²	52.2	6%	0.061	24%	0.236	C	C	.	.	H	α-helix	trans	-59.8	-38.2	179.2	-78.9	0	0	0	0	113.1	P141 D215 E216	P141-C219 WeakPolarHBondContact CG-O 3.42Å; D215-C219 WeakPolarHBondContact O-CB 3.23Å; D215-C219 PolarHBondContact O-N 2.83Å; D215-C219 PolarHBondContact O-SG 2.66Å; D215-C219 VanDerWaalsContact O-SG 3.41Å; E216-C219 PolarHBondContact O-N 2.84Å
220	N	73.3	Confident	80.6	Confident	38 Å²	38	52 Å²	52	20%	0.203	23%	0.234	C	C	.	.	H	α-helix	trans	-71.8	-43.3	-178.4	-67.9	-18.4	0	0	0	111.9	E216 E217 I218	E216-N220 VanDerWaalsContact O-CG 3.23Å; E216-N220 PolarHBondContact O-N 2.86Å; E216-N220 PolarHBondContact O-ND2 3.23Å; E217-N220 PolarHBondContact O-N 2.87Å; I218-N220 VanDerWaalsContact C-N 3.29Å; I218-N220 PolarHBondContact O-N 3.49Å
221	R	76.8	Confident	81.8	Confident	128 Å²	128	44.7 Å²	44.7	48%	0.483	21%	0.207	S	C	.	.	H	α-helix	trans	-82.5	-21.1	-176.2	-68.6	179	173.7	-173.8	-1.9	114	L208 H213 E217 I218	L208-R221 HydrophobicContact CD1-CB 3.66Å; H213-R221 PolarHBondContact CE1-NH1 3Å; H213-R221 PolarHBondContact NE2-NH1 3.3Å; E217-R221 WeakPolarHBondContact O-CB 3.3Å; E217-R221 WeakPolarHBondContact O-CG 3.45Å; E217-R221 PolarHBondContact O-N 2.84Å; I218-R221 PolarHBondContact O-N 3.34Å
222	S	80.8	Confident	83.1	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.007	18%	0.175	C	C	.	.			trans	-73	140.9	-177.4	-62.5	0	0	0	0	112.2	R139 G200 F201 I218 V225	R139-S222 PolarHBondContact NH2-O 2.77Å; G200-S222 WeakPolarHBondContact CA-OG 3.23Å; F201-S222 CarbonylContact O-C 3.44Å; F201-S222 VanDerWaalsContact O-CA 3.3Å; F201-S222 WeakPolarHBondContact O-CA 3.34Å; I218-S222 WeakPolarHBondContact O-CB 3.19Å; I218-S222 PolarHBondContact O-N 3.23Å; I218-S222 PolarHBondContact O-OG 2.99Å; S222-V225 VanDerWaalsContact CB-CG2 3.42Å
223	E	76.3	Confident	84	Confident	83 Å²	83	28.9 Å²	28.9	39%	0.388	14%	0.142	S	C	.	.	S	Bend	trans	-78.2	-39.8	159.9	-178.6	163.8	169.4	0	0	110.7	D142 F201 N203	D142-E223 PolarHBondContact N-O 3.32Å; F201-E223 PolarHBondContact O-N 2.87Å; N203-E223 WeakPolarHBondContact CA-OE2 3.32Å; N203-E223 WeakPolarHBondContact CB-OE2 3.4Å
224	K	84.5	Confident	84.9	Confident	20 Å²	20	28.8 Å²	28.8	9%	0.087	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	131.1	-179.1	-174.1	-175.9	-172.2	-175.9	0	110.4	Q144 F201 L374 Y375 L377	Q144-K224 VanDerWaalsContact OE1-NZ 3.1Å; F201-K224 HydrophobicContact CB-CB 4.43Å; F201-K224 PolarHBondContact N-O 2.83Å; F201-K224 PolarHBondContact O-N 2.85Å; K224-L374 PolarHBondContact NZ-O 3.38Å; K224-Y375 HydrophobicContact CD-CD2 4.37Å; K224-Y375 WeakPolarHBondContact CD-O 3.43Å; K224-Y375 PolarHBondContact NZ-O 2.93Å; K224-L377 PolarHBondContact NZ-O 2.85Å
225	V	89	Confident	85.2	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	132.6	175.7	179.6	0	0	0	0	109.3	P141 D142 S143 Q144 I198 V199 S222 I447	P141-V225 HydrophobicContact CB-CG2 3.88Å; P141-V225 HydrophobicContact CG-CG2 3.85Å; D142-V225 PolarHBondContact O-N 3.29Å; S143-V225 CarbonylContact C-O 3.57Å; S143-V225 VanDerWaalsContact CA-O 3.3Å; S143-V225 WeakPolarHBondContact CA-O 3.26Å; Q144-V225 PolarHBondContact N-O 3.07Å; I198-V225 HydrophobicContact CB-CG1 4.18Å; I198-V225 HydrophobicContact CG2-CG1 4.4Å; V199-V225 WeakPolarHBondContact O-CA 3.4Å; S222-V225 VanDerWaalsContact CB-CG2 3.42Å; V225-I447 HydrophobicContact CG1-CD1 4.39Å
226	I	92.7	Very high	85.5	Confident	0 Å²	0	35 Å²	35	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	115.4	173.1	-54.2	-178.5	0	0	0	108.2	Q144 A146 I198 V199 F201 F228 F252 L374	Q144-I226 HydrophobicContact CB-CG1 4.39Å; A146-I226 HydrophobicContact CB-CG2 3.87Å; I198-I226 WeakPolarHBondContact CA-O 3.22Å; V199-I226 PolarHBondContact N-O 3.45Å; V199-I226 PolarHBondContact O-N 3.42Å; F201-I226 HydrophobicContact CE2-CD1 3.8Å; F201-I226 HydrophobicContact CE2-CG1 4.18Å; I226-F228 HydrophobicContact CB-CD2 4.5Å; I226-F228 HydrophobicContact CB-CE2 3.96Å; I226-F228 HydrophobicContact CG2-CD2 3.99Å; I226-F228 HydrophobicContact CG2-CE2 3.53Å; I226-F228 HydrophobicContact CG2-CZ 3.91Å; I226-F252 HydrophobicContact CD1-CZ 4.37Å; I226-F252 HydrophobicContact CG2-CZ 3.94Å; I226-L374 HydrophobicContact CD1-CB 3.77Å; I226-L374 HydrophobicContact CD1-CD2 4.02Å; I226-L374 HydrophobicContact CD1-CG 4.43Å; I226-L374 WeakPolarHBondContact CD1-O 3.35Å
227	T	92.4	Very high	86	Confident	19 Å²	19	33 Å²	33	12%	0.117	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	113.4	172.8	-55.7	0	0	0	0	109.1	Q144 Q145 A146 F196 I198	Q144-T227 PolarHBondContact O-N 3.43Å; Q145-T227 CarbonylContact C-O 3.57Å; Q145-T227 VanDerWaalsContact CA-O 3.24Å; Q145-T227 WeakPolarHBondContact CA-O 3.28Å; A146-T227 PolarHBondContact N-O 2.81Å; F196-T227 HydrophobicContact CD1-CG2 4.25Å; I198-T227 HydrophobicContact CG2-CG2 4.4Å
228	F	95	Very high	86.4	Confident	2 Å²	2	31.3 Å²	31.3	1%	0.009	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	139.8	172.4	-72.8	-95	0	0	0	111.1	A146 M148 L160 L163 F196 G197 V199 I226 V254 L374	A146-F228 HydrophobicContact CB-CD1 3.54Å; A146-F228 HydrophobicContact CB-CE1 3.56Å; A146-F228 HydrophobicContact CB-CG 4.1Å; A146-F228 HydrophobicContact CB-CZ 4.13Å; A146-F228 CarbonylContact O-C 3.55Å; A146-F228 VanDerWaalsContact O-CA 3.25Å; A146-F228 WeakPolarHBondContact O-CA 3.44Å; M148-F228 HydrophobicContact CG-CD1 4.23Å; M148-F228 HydrophobicContact SD-CD1 3.72Å; M148-F228 HydrophobicContact SD-CE1 4.12Å; L160-F228 HydrophobicContact CD1-CB 3.3Å; L160-F228 HydrophobicContact CD1-CD1 4.21Å; L160-F228 HydrophobicContact CD1-CD2 4.17Å; L160-F228 HydrophobicContact CD1-CG 3.65Å; L160-F228 HydrophobicContact CD2-CB 4.33Å; L160-F228 HydrophobicContact CG-CB 4.47Å; L163-F228 HydrophobicContact CD1-CZ 4.35Å; F196-F228 VanDerWaalsContact CA-O 3.28Å; F196-F228 WeakPolarHBondContact CA-O 3.24Å; G197-F228 PolarHBondContact N-O 3.18Å; G197-F228 WeakPolarHBondContact O-CA 3.4Å; G197-F228 WeakPolarHBondContact O-CB 3.45Å; G197-F228 PolarHBondContact O-N 3.09Å; V199-F228 HydrophobicContact CB-CE2 4.03Å; V199-F228 HydrophobicContact CG2-CD2 3.88Å; V199-F228 HydrophobicContact CG2-CE2 3.59Å; I226-F228 HydrophobicContact CB-CD2 4.5Å; I226-F228 HydrophobicContact CB-CE2 3.96Å; I226-F228 HydrophobicContact CG2-CD2 3.99Å; I226-F228 HydrophobicContact CG2-CE2 3.53Å; I226-F228 HydrophobicContact CG2-CZ 3.91Å; F228-V254 HydrophobicContact CE1-CG2 3.98Å; F228-L374 HydrophobicContact CE2-CD1 4.45Å; F228-L374 HydrophobicContact CZ-CD1 3.74Å; F228-L374 HydrophobicContact CZ-CD2 3.86Å; F228-L374 HydrophobicContact CZ-CG 4.46Å
229	I	93.8	Very high	86.6	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	109.6	176.3	-51.8	176.2	0	0	0	106.8	A146 T147 M148 I194 S195 F196 L231 Y248	A146-I229 PolarHBondContact O-N 3.34Å; T147-I229 WeakPolarHBondContact CA-O 3.28Å; M148-I229 PolarHBondContact N-O 2.81Å; I194-I229 HydrophobicContact CG2-CG2 3.46Å; I194-I229 VanDerWaalsContact CG2-CG2 3.46Å; S195-I229 CarbonylContact O-C 3.54Å; S195-I229 WeakPolarHBondContact O-CA 3.06Å; F196-I229 HydrophobicContact CD1-CG1 3.98Å; F196-I229 HydrophobicContact CE1-CD1 4.35Å; F196-I229 HydrophobicContact CE1-CG1 3.92Å; F196-I229 HydrophobicContact CE1-CG2 4.16Å; I229-L231 HydrophobicContact CG2-CD2 3.87Å; I229-L231 HydrophobicContact CG2-CG 4.2Å; I229-Y248 VanDerWaalsContact CD1-CB 3.45Å; I229-Y248 HydrophobicContact CD1-CD1 3.77Å; I229-Y248 HydrophobicContact CD1-CG 3.75Å
230	D	94.9	Very high	87	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	121.4	174.1	-164.3	30.1	0	0	0	109.8	S157 L160 T191 S195	S157-D230 WeakPolarHBondContact CB-OD2 3.41Å; S157-D230 PolarHBondContact OG-OD1 2.77Å; S157-D230 PolarHBondContact OG-OD2 3.36Å; L160-D230 HydrophobicContact CD2-CB 3.68Å; T191-D230 PolarHBondContact OG1-OD2 3.38Å; S195-D230 PolarHBondContact N-O 3.49Å; S195-D230 PolarHBondContact O-N 3.12Å
231	L	94	Very high	87.9	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	16%	0.163	C	C	.	.			trans	-114.9	151.3	177	-60.7	-179.1	0	0	0	111.2	T147 L149 K156 I194 I229 G233 T241	T147-L231 HydrophobicContact CG2-CD1 3.22Å; T147-L231 HydrophobicContact CG2-CG 3.76Å; L149-L231 HydrophobicContact CD2-CB 4.11Å; L149-L231 HydrophobicContact CD2-CD1 3.83Å; K156-L231 VanDerWaalsContact CE-O 3.29Å; K156-L231 WeakPolarHBondContact CE-O 3.1Å; I194-L231 HydrophobicContact CB-CD2 4.32Å; I194-L231 HydrophobicContact CD1-CD2 4.13Å; I194-L231 HydrophobicContact CG1-CD2 3.75Å; I194-L231 HydrophobicContact CG2-CD2 3.96Å; I229-L231 HydrophobicContact CG2-CD2 3.87Å; I229-L231 HydrophobicContact CG2-CG 4.2Å; L231-G233 PolarHBondContact O-N 2.86Å; L231-T241 HydrophobicContact CB-CG2 4.04Å; L231-T241 HydrophobicContact CD1-CG2 4.06Å; L231-T241 WeakPolarHBondContact CD1-O 3.17Å
232	A	90.9	Very high	88.6	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.14	C	C	.	.			trans	-63	136.3	-178.6	0	0	0	0	0	111.8	T191 Y237 T241	T191-A232 WeakPolarHBondContact O-CB 3.23Å; A232-Y237 HydrophobicContact CB-CD2 3.99Å; A232-Y237 HydrophobicContact CB-CG 3.91Å; A232-T241 PolarHBondContact O-OG1 2.82Å
233	G	87.2	Confident	89.1	Confident	5 Å²	5	32 Å²	32	5%	0.052	15%	0.148	C	C	.	.			trans	-91.1	-10.8	-178.6	0	0	0	0	0	115.5	G150 S151 D152 L231 T282	G150-G233 WeakPolarHBondContact O-CA 3.17Å; S151-G233 CarbonylContact C-O 3.58Å; D152-G233 PolarHBondContact N-O 3.35Å; L231-G233 PolarHBondContact O-N 2.86Å; G233-T282 WeakPolarHBondContact O-CG2 3.39Å
234	H	86.5	Confident	89.8	Confident	30 Å²	30	28 Å²	28	14%	0.139	13%	0.129	C	C	.	.	S	Bend	trans	-100.9	141.5	-171.6	-171	-81.9	0	0	0	111.1	D152 R190 K236 Y237	D152-H234 HydrophobicContact CB-CB 4.19Å; D152-H234 IonicContact OD2-CD2 2.63Å; R190-H234 PolarHBondContact NH1-CD2 3.19Å; R190-H234 VanDerWaalsContact NH1-CD2 3.29Å; R190-H234 PolarHBondContact NH1-NE2 2.69Å; R190-H234 VanDerWaalsContact NH1-NE2 3.14Å; R190-H234 PolarHBondContact NH2-CD2 2.98Å; H234-K236 VanDerWaalsContact ND1-CB 3.29Å; H234-K236 WeakPolarHBondContact ND1-CB 3.4Å; H234-K236 PolarHBondContact ND1-N 3.33Å; H234-K236 VanDerWaalsContact ND1-N 3.15Å; H234-K236 PolarHBondContact O-N 3.46Å; H234-K236 VanDerWaalsContact O-N 3.07Å; H234-Y237 HydrophobicContact CB-CD2 4.06Å; H234-Y237 HydrophobicContact CB-CE2 4.48Å; H234-Y237 PolarHBondContact O-N 3.35Å
235	E	82.8	Confident	90.2	Very high	89 Å²	89	27.2 Å²	27.2	42%	0.416	13%	0.126	S	C	.	.	G	3₁₀ helix	trans	-56.2	-30.7	-175.8	66	-174.2	-175.3	0	0	114.2	Y237 M238 C278	E235-Y237 PolarHBondContact O-N 3Å; E235-Y237 VanDerWaalsContact O-N 3.12Å; E235-M238 HydrophobicContact CB-CE 4.23Å; E235-M238 HydrophobicContact CB-CG 4.45Å; E235-M238 HydrophobicContact CB-SD 4.42Å; E235-M238 VanDerWaalsContact O-CE 3.26Å; E235-M238 WeakPolarHBondContact O-CE 3.49Å; E235-M238 WeakPolarHBondContact O-CG 2.99Å; E235-M238 PolarHBondContact O-N 3.33Å; E235-C278 WeakPolarHBondContact OE2-CB 3.41Å
236	K	85.7	Confident	90.3	Very high	158 Å²	158	27.5 Å²	27.5	69%	0.687	13%	0.128	S	C	*	.	G	3₁₀ helix	trans	-53.3	-31.6	172.6	-174.5	177.5	178.3	-179.6	0	113.1	H234	H234-K236 VanDerWaalsContact ND1-CB 3.29Å; H234-K236 WeakPolarHBondContact ND1-CB 3.4Å; H234-K236 PolarHBondContact ND1-N 3.33Å; H234-K236 VanDerWaalsContact ND1-N 3.15Å; H234-K236 PolarHBondContact O-N 3.46Å; H234-K236 VanDerWaalsContact O-N 3.07Å
237	Y	87.1	Confident	90.2	Very high	42 Å²	42	27.7 Å²	27.7	17%	0.165	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-106.2	13.8	-174.8	-55.9	-66.9	0	0	0	113.4	A232 H234 E235 R239 T240 T241	A232-Y237 HydrophobicContact CB-CD2 3.99Å; A232-Y237 HydrophobicContact CB-CG 3.91Å; H234-Y237 HydrophobicContact CB-CD2 4.06Å; H234-Y237 HydrophobicContact CB-CE2 4.48Å; H234-Y237 PolarHBondContact O-N 3.35Å; E235-Y237 PolarHBondContact O-N 3Å; E235-Y237 VanDerWaalsContact O-N 3.12Å; Y237-R239 PolarHBondContact O-N 3.15Å; Y237-T240 WeakPolarHBondContact O-CA 3.35Å; Y237-T240 WeakPolarHBondContact O-CB 3.48Å; Y237-T240 PolarHBondContact O-N 3.22Å; Y237-T241 PolarHBondContact O-N 2.71Å; Y237-T241 VanDerWaalsContact O-N 3.14Å; Y237-T241 PolarHBondContact O-OG1 3.31Å
238	M	87	Confident	90.2	Very high	30 Å²	30	27.1 Å²	27.1	15%	0.148	13%	0.126	C	C	.	.	H	α-helix	trans	-51.4	-35.7	-179.4	-74.7	-175.8	-69.2	0	0	113.6	E235 T240 T241 I242 W289	E235-M238 HydrophobicContact CB-CE 4.23Å; E235-M238 HydrophobicContact CB-CG 4.45Å; E235-M238 HydrophobicContact CB-SD 4.42Å; E235-M238 VanDerWaalsContact O-CE 3.26Å; E235-M238 WeakPolarHBondContact O-CE 3.49Å; E235-M238 WeakPolarHBondContact O-CG 2.99Å; E235-M238 PolarHBondContact O-N 3.33Å; M238-T240 VanDerWaalsContact C-N 3.3Å; M238-T240 PolarHBondContact O-N 3.05Å; M238-T241 PolarHBondContact O-N 2.92Å; M238-I242 WeakPolarHBondContact O-CB 3.32Å; M238-I242 VanDerWaalsContact O-CG1 3.27Å; M238-I242 WeakPolarHBondContact O-CG1 3.28Å; M238-I242 PolarHBondContact O-N 3Å; M238-W289 HydrophobicContact CB-CH2 4.02Å; M238-W289 HydrophobicContact CG-CH2 3.7Å; M238-W289 HydrophobicContact SD-CH2 3.82Å; M238-W289 HydrophobicContact SD-CZ2 4.19Å
239	R	87.9	Confident	90	Very high	128 Å²	128	31.1 Å²	31.1	48%	0.483	14%	0.143	S	C	.	.	H	α-helix	trans	-57.6	-45.8	177.2	-178	-178.8	171.7	80.5	7.1	110.9	Y237 S243 C519	Y237-R239 PolarHBondContact O-N 3.15Å; R239-S243 VanDerWaalsContact O-CB 3.3Å; R239-S243 WeakPolarHBondContact O-CB 3.5Å; R239-S243 PolarHBondContact O-N 2.91Å; R239-S243 PolarHBondContact O-OG 2.94Å; R239-C519 PolarHBondContact NH1-SG 2.98Å; R239-C519 PolarHBondContact NH2-SG 3.5Å
240	T	89.2	Confident	89.9	Confident	39 Å²	39	31.1 Å²	31.1	24%	0.239	14%	0.143	C	C	.	.	H	α-helix	trans	-64.1	-43.4	176.7	-51.5	0	0	0	0	110.8	I194 Y237 M238 S243 G244	I194-T240 HydrophobicContact CD1-CG2 4.13Å; I194-T240 HydrophobicContact CG1-CG2 3.56Å; Y237-T240 WeakPolarHBondContact O-CA 3.35Å; Y237-T240 WeakPolarHBondContact O-CB 3.48Å; Y237-T240 PolarHBondContact O-N 3.22Å; M238-T240 VanDerWaalsContact C-N 3.3Å; M238-T240 PolarHBondContact O-N 3.05Å; T240-S243 PolarHBondContact O-N 2.73Å; T240-G244 PolarHBondContact O-N 3.5Å
241	T	92.1	Very high	89.8	Confident	0 Å²	0	32 Å²	32	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.9	-46.8	179.8	-50.6	0	0	0	0	112.3	L149 L231 A232 Y237 M238 G244 L245 W289	L149-T241 HydrophobicContact CD2-CG2 3.46Å; L149-T241 VanDerWaalsContact CD2-CG2 3.46Å; L231-T241 HydrophobicContact CB-CG2 4.04Å; L231-T241 HydrophobicContact CD1-CG2 4.06Å; L231-T241 WeakPolarHBondContact CD1-O 3.17Å; A232-T241 PolarHBondContact O-OG1 2.82Å; Y237-T241 PolarHBondContact O-N 2.71Å; Y237-T241 VanDerWaalsContact O-N 3.14Å; Y237-T241 PolarHBondContact O-OG1 3.31Å; M238-T241 PolarHBondContact O-N 2.92Å; T241-G244 PolarHBondContact O-N 3.24Å; T241-L245 WeakPolarHBondContact O-CB 3.01Å; T241-L245 PolarHBondContact O-N 3.35Å; T241-W289 HydrophobicContact CG2-CZ3 4.19Å
242	I	91.1	Very high	89.8	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-65.3	-44.4	177.9	-64.7	164.9	0	0	0	110.4	M238 G244 L245 S246 W289 H514 L560	M238-I242 WeakPolarHBondContact O-CB 3.32Å; M238-I242 VanDerWaalsContact O-CG1 3.27Å; M238-I242 WeakPolarHBondContact O-CG1 3.28Å; M238-I242 PolarHBondContact O-N 3Å; I242-G244 VanDerWaalsContact C-N 3.33Å; I242-G244 PolarHBondContact O-N 3.35Å; I242-L245 PolarHBondContact O-N 2.87Å; I242-S246 WeakPolarHBondContact O-CB 3.45Å; I242-S246 PolarHBondContact O-N 3.42Å; I242-W289 HydrophobicContact CD1-CH2 3.94Å; I242-W289 HydrophobicContact CD1-CZ2 3.89Å; I242-W289 HydrophobicContact CD1-CZ3 4.27Å; I242-W289 HydrophobicContact CG1-CD2 4.05Å; I242-W289 HydrophobicContact CG1-CE3 3.78Å; I242-W289 HydrophobicContact CG1-CH2 3.88Å; I242-W289 HydrophobicContact CG1-CZ2 4.13Å; I242-W289 HydrophobicContact CG1-CZ3 3.68Å; I242-H514 HydrophobicContact CG2-CB 3.81Å; I242-H514 VanDerWaalsContact CG2-CG 3.43Å; I242-L560 HydrophobicContact CD1-CD2 4.02Å; I242-L560 HydrophobicContact CG2-CD1 4.12Å; I242-L560 HydrophobicContact CG2-CD2 3.98Å; I242-L560 HydrophobicContact CG2-CG 4.48Å
243	S	90.4	Very high	90	Very high	24 Å²	24	32.2 Å²	32.2	17%	0.168	15%	0.148	C	C	.	.	H	α-helix	trans	-59.3	-44.4	175.4	-77.7	0	0	0	0	111.5	R239 T240 L245 S246 A247	R239-S243 VanDerWaalsContact O-CB 3.3Å; R239-S243 WeakPolarHBondContact O-CB 3.5Å; R239-S243 PolarHBondContact O-N 2.91Å; R239-S243 PolarHBondContact O-OG 2.94Å; T240-S243 PolarHBondContact O-N 2.73Å; S243-L245 PolarHBondContact O-N 2.85Å; S243-S246 PolarHBondContact O-N 2.93Å; S243-A247 WeakPolarHBondContact O-CB 3.48Å; S243-A247 PolarHBondContact O-N 2.95Å
244	G	91.9	Very high	90.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58.9	-47.3	175.2	0	0	0	0	0	112.7	T240 T241 I242 Y248	T240-G244 PolarHBondContact O-N 3.5Å; T241-G244 PolarHBondContact O-N 3.24Å; I242-G244 VanDerWaalsContact C-N 3.33Å; I242-G244 PolarHBondContact O-N 3.35Å; G244-Y248 WeakPolarHBondContact O-CB 3.29Å; G244-Y248 VanDerWaalsContact O-CD2 3.27Å; G244-Y248 WeakPolarHBondContact O-CD2 3.47Å; G244-Y248 PolarHBondContact O-N 3.44Å
245	L	92.2	Very high	91	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.016	14%	0.14	C	C	.	.	H	α-helix	trans	-69	-38.8	-179.1	-170.9	62.5	0	0	0	112.7	T147 L149 T241 I242 S243 P250 V253 W289 L293	T147-L245 HydrophobicContact CG2-CD1 4.46Å; L149-L245 HydrophobicContact CD1-CD1 4.36Å; L149-L245 HydrophobicContact CD1-CD2 4.16Å; T241-L245 WeakPolarHBondContact O-CB 3.01Å; T241-L245 PolarHBondContact O-N 3.35Å; I242-L245 PolarHBondContact O-N 2.87Å; S243-L245 PolarHBondContact O-N 2.85Å; L245-P250 HydrophobicContact CD1-CG 3.73Å; L245-P250 WeakPolarHBondContact O-CD 2.95Å; L245-V253 HydrophobicContact CD1-CG2 3.73Å; L245-W289 HydrophobicContact CD2-CB 3.81Å; L245-L293 HydrophobicContact CB-CD1 4.28Å; L245-L293 HydrophobicContact CD2-CD1 3.66Å; L245-L293 HydrophobicContact CG-CD1 3.58Å
246	S	91.5	Very high	91.6	Very high	6 Å²	6	26.5 Å²	26.5	4%	0.042	12%	0.12	C	C	.	.	H	α-helix	trans	-77.9	-44.1	-178.3	178.3	0	0	0	0	113	I242 S243 K249 G516	I242-S246 WeakPolarHBondContact O-CB 3.45Å; I242-S246 PolarHBondContact O-N 3.42Å; S243-S246 PolarHBondContact O-N 2.93Å; S246-K249 WeakPolarHBondContact O-CG 3.3Å; S246-G516 CarbonylContact C-O 3.44Å; S246-G516 WeakPolarHBondContact CB-O 3.31Å; S246-G516 PolarHBondContact OG-N 3.29Å; S246-G516 VanDerWaalsContact OG-N 3.14Å; S246-G516 PolarHBondContact OG-O 3.21Å
247	A	91.7	Very high	92.1	Very high	4 Å²	4	19 Å²	19	3%	0.033	9%	0.087	C	C	.	.	H	α-helix	trans	-78.7	-43	-172.9	0	0	0	0	0	112.4	S243 K249 D399 G516 N517	S243-A247 WeakPolarHBondContact O-CB 3.48Å; S243-A247 PolarHBondContact O-N 2.95Å; A247-K249 VanDerWaalsContact C-N 3.33Å; A247-D399 HydrophobicContact CB-CB 4.46Å; A247-D399 WeakPolarHBondContact CB-OD1 3.43Å; A247-G516 WeakPolarHBondContact CA-O 3.42Å; A247-G516 PolarHBondContact N-O 2.93Å; A247-N517 HydrophobicContact CB-CB 4.27Å
248	Y	91.2	Very high	92.3	Very high	8 Å²	8	17.2 Å²	17.2	3%	0.031	8%	0.081	C	C	.	.	H	α-helix	trans	-82.4	-15.2	-175.6	-66.9	-102.2	0	0	0	112.9	Q145 I194 F196 I229 G244 D399 F459	Q145-Y248 PolarHBondContact OE1-O 2.74Å; I194-Y248 HydrophobicContact CD1-CE2 3.99Å; F196-Y248 AromaticContact CE1-CD1 3.83Å; F196-Y248 HydrophobicContact CE1-CD1 3.83Å; F196-Y248 AromaticContact CE1-CE1 3.4Å; F196-Y248 HydrophobicContact CE1-CE1 3.4Å; F196-Y248 VanDerWaalsContact CE1-CE1 3.4Å; F196-Y248 HydrophobicContact CE2-CE1 4.49Å; F196-Y248 HydrophobicContact CZ-CD1 4.12Å; F196-Y248 AromaticContact CZ-CE1 3.23Å; F196-Y248 HydrophobicContact CZ-CE1 3.23Å; F196-Y248 AromaticContact CZ-CZ 3.65Å; I229-Y248 VanDerWaalsContact CD1-CB 3.45Å; I229-Y248 HydrophobicContact CD1-CD1 3.77Å; I229-Y248 HydrophobicContact CD1-CG 3.75Å; G244-Y248 WeakPolarHBondContact O-CB 3.29Å; G244-Y248 VanDerWaalsContact O-CD2 3.27Å; G244-Y248 WeakPolarHBondContact O-CD2 3.47Å; G244-Y248 PolarHBondContact O-N 3.44Å; Y248-D399 WeakPolarHBondContact CE2-OD2 3.41Å; Y248-D399 VanDerWaalsContact CZ-OD2 3.23Å; Y248-D399 PolarHBondContact OH-OD2 3.46Å; Y248-F459 AromaticContact CD1-CD2 3.68Å; Y248-F459 HydrophobicContact CD1-CD2 3.68Å; Y248-F459 AromaticContact CD1-CE2 3.62Å; Y248-F459 HydrophobicContact CD1-CE2 3.62Å; Y248-F459 HydrophobicContact CD1-CG 4.34Å; Y248-F459 HydrophobicContact CD1-CZ 4.21Å; Y248-F459 HydrophobicContact CE1-CD1 4.38Å; Y248-F459 AromaticContact CE1-CD2 3.62Å; Y248-F459 HydrophobicContact CE1-CD2 3.62Å; Y248-F459 AromaticContact CE1-CE1 3.95Å; Y248-F459 HydrophobicContact CE1-CE1 3.95Å; Y248-F459 AromaticContact CE1-CE2 3.11Å; Y248-F459 HydrophobicContact CE1-CE2 3.11Å; Y248-F459 HydrophobicContact CE1-CG 4.22Å; Y248-F459 AromaticContact CE1-CZ 3.29Å; Y248-F459 HydrophobicContact CE1-CZ 3.29Å; Y248-F459 AromaticContact CZ-CE2 3.73Å; Y248-F459 AromaticContact CZ-CZ 3.77Å
249	K	90.9	Very high	92.4	Very high	85 Å²	85	16 Å²	16	37%	0.37	8%	0.075	S	C	.	.			trans	44.3	58.4	177.9	-62.4	-178.6	178.6	168.9	0	111.9	S246 A247 L414	S246-K249 WeakPolarHBondContact O-CG 3.3Å; A247-K249 VanDerWaalsContact C-N 3.33Å; K249-L414 HydrophobicContact CB-CD2 3.95Å; K249-L414 HydrophobicContact CD-CD2 4.01Å; K249-L414 HydrophobicContact CG-CD2 4.13Å
250	P	92.7	Very high	92.4	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.075	C	C	.	.			trans	-56.3	151.6	-176.3	27.9	-37.9	0	0	0	111.5	T147 L245 F252 V295 R380	T147-P250 WeakPolarHBondContact OG1-CB 3.47Å; T147-P250 WeakPolarHBondContact OG1-CG 3.45Å; L245-P250 HydrophobicContact CD1-CG 3.73Å; L245-P250 WeakPolarHBondContact O-CD 2.95Å; P250-F252 VanDerWaalsContact C-N 3.3Å; P250-V295 HydrophobicContact CG-CG1 4.25Å; P250-R380 PolarHBondContact O-NH1 2.66Å
251	H	91.1	Very high	92.1	Very high	21 Å²	21	14.6 Å²	14.6	10%	0.097	7%	0.07	C	C	.	.	S	Bend	trans	-72.7	-29.6	179.7	-59.9	93.3	0	0	0	111.6	Q145 P296 R380	Q145-H251 WeakPolarHBondContact CB-ND1 3.45Å; Q145-H251 PolarHBondContact N-ND1 3.28Å; Q145-H251 WeakPolarHBondContact O-CB 3.47Å; Q145-H251 PolarHBondContact O-N 3.28Å; H251-P296 WeakPolarHBondContact O-CD 3.4Å; H251-R380 HydrophobicContact CB-CB 4.27Å; H251-R380 VanDerWaalsContact CD2-CB 3.41Å; H251-R380 WeakPolarHBondContact CD2-CB 3.46Å
252	F	94	Very high	91.6	Very high	4 Å²	4	14.9 Å²	14.9	2%	0.018	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	161.9	174	53.6	-94.6	0	0	0	111.2	Q144 Q145 A146 T147 I226 P250 V254 P296 F298 F348 L374 L377	Q144-F252 HydrophobicContact CB-CE1 4.33Å; Q145-F252 PolarHBondContact O-N 3.21Å; A146-F252 WeakPolarHBondContact CA-O 3.49Å; A146-F252 HydrophobicContact CB-CD2 3.8Å; A146-F252 HydrophobicContact CB-CE2 3.21Å; A146-F252 HydrophobicContact CB-CZ 3.66Å; T147-F252 PolarHBondContact N-O 2.74Å; I226-F252 HydrophobicContact CD1-CZ 4.37Å; I226-F252 HydrophobicContact CG2-CZ 3.94Å; P250-F252 VanDerWaalsContact C-N 3.3Å; F252-V254 HydrophobicContact CD2-CG2 4.43Å; F252-V254 HydrophobicContact CE2-CG2 4.41Å; F252-P296 CarbonylContact C-O 3.57Å; F252-P296 VanDerWaalsContact CA-O 3.25Å; F252-P296 WeakPolarHBondContact CA-O 3.24Å; F252-P296 HydrophobicContact CB-CB 4.29Å; F252-P296 WeakPolarHBondContact CB-O 3.45Å; F252-F298 HydrophobicContact CD2-CD1 4.23Å; F252-F298 AromaticContact CD2-CE1 3.55Å; F252-F298 HydrophobicContact CD2-CE1 3.55Å; F252-F298 AromaticContact CE2-CE1 3.73Å; F252-F298 HydrophobicContact CE2-CE1 3.73Å; F252-F298 HydrophobicContact CE2-CZ 4.39Å; F252-F348 HydrophobicContact CB-CE1 3.7Å; F252-F348 HydrophobicContact CB-CZ 4.07Å; F252-F348 HydrophobicContact CG-CE1 4.25Å; F252-L374 HydrophobicContact CE2-CD2 3.92Å; F252-L374 HydrophobicContact CZ-CD2 4.03Å; F252-L377 HydrophobicContact CD1-CD1 3.99Å; F252-L377 HydrophobicContact CD2-CD1 4.31Å; F252-L377 HydrophobicContact CE1-CD1 3.57Å; F252-L377 HydrophobicContact CE2-CD1 3.89Å; F252-L377 HydrophobicContact CG-CD1 4.35Å; F252-L377 HydrophobicContact CZ-CD1 3.5Å
253	V	95.8	Very high	90.9	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	135.3	177.7	161.6	0	0	0	0	109.6	T147 L149 L245 V295 P296 V297 F298	T147-V253 WeakPolarHBondContact O-CA 3.35Å; L149-V253 HydrophobicContact CB-CG1 4.02Å; L149-V253 HydrophobicContact CD1-CG1 3.74Å; L149-V253 HydrophobicContact CD1-CG2 4.1Å; L149-V253 HydrophobicContact CG-CG1 4.01Å; L245-V253 HydrophobicContact CD1-CG2 3.73Å; V253-V295 HydrophobicContact CB-CG1 4.41Å; V253-V295 HydrophobicContact CG2-CB 4.34Å; V253-V295 HydrophobicContact CG2-CG1 3.75Å; V253-P296 PolarHBondContact N-O 2.87Å; V253-V297 HydrophobicContact CB-CG2 4.15Å; V253-V297 HydrophobicContact CG1-CG1 4.31Å; V253-V297 HydrophobicContact CG1-CG2 4.31Å; V253-V297 WeakPolarHBondContact O-CA 3.16Å; V253-F298 PolarHBondContact O-N 2.9Å
254	V	97.6	Very high	89.5	Confident	2 Å²	2	15.2 Å²	15.2	1%	0.012	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	102.3	167.9	-171.5	0	0	0	0	107.4	A146 T147 M148 L149 F228 F252 V256 F298 V300	A146-V254 HydrophobicContact CB-CG2 4.46Å; T147-V254 PolarHBondContact O-N 3.19Å; M148-V254 HydrophobicContact CE-CG1 4.29Å; M148-V254 HydrophobicContact SD-CB 3.71Å; M148-V254 HydrophobicContact SD-CG1 3.98Å; M148-V254 HydrophobicContact SD-CG2 4.02Å; L149-V254 PolarHBondContact N-O 2.68Å; F228-V254 HydrophobicContact CE1-CG2 3.98Å; F252-V254 HydrophobicContact CD2-CG2 4.43Å; F252-V254 HydrophobicContact CE2-CG2 4.41Å; V254-V256 HydrophobicContact CG1-CG2 4.1Å; V254-V256 PolarHBondContact O-N 3.48Å; V254-F298 HydrophobicContact CB-CE2 4.21Å; V254-F298 HydrophobicContact CB-CZ 4.07Å; V254-F298 HydrophobicContact CG1-CD2 4.38Å; V254-F298 HydrophobicContact CG1-CE2 3.65Å; V254-F298 HydrophobicContact CG1-CZ 3.95Å; V254-F298 HydrophobicContact CG2-CE1 3.71Å; V254-F298 HydrophobicContact CG2-CE2 3.91Å; V254-F298 HydrophobicContact CG2-CZ 3.28Å; V254-V300 HydrophobicContact CG1-CB 4.39Å; V254-V300 HydrophobicContact CG1-CG2 3.64Å
255	L	96.9	Very high	87.6	Confident	1 Å²	1	20.2 Å²	20.2	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	110.2	175.6	-177.1	68.1	0	0	0	109.6	L149 V257 T283 H286 L287 V297 F298 I299 V300	L149-L255 HydrophobicContact CB-CD1 4.04Å; L149-L255 CarbonylContact O-C 3.58Å; L149-L255 WeakPolarHBondContact O-CA 3.5Å; L255-V257 HydrophobicContact CG-CG2 4.31Å; L255-T283 HydrophobicContact CD1-CG2 4.11Å; L255-T283 HydrophobicContact CD2-CG2 4.12Å; L255-T283 HydrophobicContact CG-CG2 4.35Å; L255-H286 HydrophobicContact CD1-CB 4.15Å; L255-L287 HydrophobicContact CD2-CB 4.01Å; L255-L287 HydrophobicContact CD2-CD1 3.74Å; L255-L287 HydrophobicContact CD2-CG 4.3Å; L255-V297 HydrophobicContact CB-CG1 3.88Å; L255-F298 PolarHBondContact N-O 2.86Å; L255-I299 HydrophobicContact CB-CG1 4.24Å; L255-I299 HydrophobicContact CD2-CD1 4.49Å; L255-I299 HydrophobicContact CD2-CG1 4.36Å; L255-I299 CarbonylContact O-C 3.49Å; L255-I299 VanDerWaalsContact O-CA 3.28Å; L255-I299 WeakPolarHBondContact O-CA 3.02Å; L255-V300 PolarHBondContact O-N 3.38Å
256	V	96.8	Very high	85.3	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	129.3	-178.4	-166.9	0	0	0	0	110.1	M148 L149 G150 S154 K156 L159 V254 V300 T302	M148-V256 HydrophobicContact CE-CG2 3.64Å; L149-V256 PolarHBondContact O-N 2.84Å; G150-V256 WeakPolarHBondContact CA-O 3.4Å; S154-V256 WeakPolarHBondContact CB-O 3.48Å; S154-V256 WeakPolarHBondContact O-CG1 3.48Å; K156-V256 HydrophobicContact CB-CG2 4.42Å; K156-V256 HydrophobicContact CG-CB 3.71Å; K156-V256 HydrophobicContact CG-CG1 4.45Å; K156-V256 HydrophobicContact CG-CG2 3.78Å; L159-V256 HydrophobicContact CD2-CG2 4.22Å; V254-V256 HydrophobicContact CG1-CG2 4.1Å; V254-V256 PolarHBondContact O-N 3.48Å; V256-V300 CarbonylContact C-O 3.55Å; V256-V300 VanDerWaalsContact CA-O 3.29Å; V256-V300 WeakPolarHBondContact CA-O 3.49Å; V256-T302 HydrophobicContact CG1-CG2 3.32Å
257	V	94.7	Very high	82.7	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	133	-175.6	-176.9	0	0	0	0	109.9	L255 I263 T283 I299 V300 V301 T302 V315 I319	L255-V257 HydrophobicContact CG-CG2 4.31Å; V257-I263 HydrophobicContact CG1-CG2 4.19Å; V257-I263 HydrophobicContact CG2-CG2 4.22Å; V257-T283 HydrophobicContact CG2-CG2 4.1Å; V257-I299 HydrophobicContact CG2-CG2 3.94Å; V257-V300 PolarHBondContact N-O 2.73Å; V257-V301 WeakPolarHBondContact O-CA 3.49Å; V257-T302 PolarHBondContact O-N 3.37Å; V257-V315 HydrophobicContact CG1-CG1 4.23Å; V257-I319 HydrophobicContact CG1-CD1 4.44Å
258	D	92.5	Very high	80.3	Confident	6 Å²	6	34 Å²	34	3%	0.032	18%	0.18	C	C	.	.			trans	-86.3	125.2	167.3	-173.2	-30.2	0	0	0	109.1	K260 I261 G262 K303	D258-K260 PolarHBondContact O-N 3.32Å; D258-K260 WeakPolarHBondContact OD1-CB 3.25Å; D258-K260 PolarHBondContact OD1-N 3.33Å; D258-I261 HydrophobicContact CB-CB 4.27Å; D258-I261 HydrophobicContact CB-CD1 4.02Å; D258-I261 HydrophobicContact CB-CG1 4.08Å; D258-I261 PolarHBondContact O-N 2.87Å; D258-G262 PolarHBondContact O-N 3.21Å; D258-K303 WeakPolarHBondContact OD2-CD 3.38Å; D258-K303 WeakPolarHBondContact OD2-CE 3.27Å; D258-K303 IonicContact OD2-NZ 3.52Å; D258-K303 PolarHBondContact OD2-NZ 2.91Å
259	P	89.4	Confident	77.8	Confident	5 Å²	5	42.2 Å²	42.2	3%	0.032	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-24.2	177.8	24.8	-34.4	0	0	0	113.7	I261 V301 T302 A307 I311 V312 V315	P259-I261 VanDerWaalsContact C-N 3.34Å; P259-V301 HydrophobicContact CB-CG1 4.1Å; P259-V301 HydrophobicContact CG-CG1 4.23Å; P259-T302 WeakPolarHBondContact CD-O 3.44Å; P259-T302 WeakPolarHBondContact CG-O 3.09Å; P259-A307 HydrophobicContact CB-CB 4.16Å; P259-A307 HydrophobicContact CG-CB 3.7Å; P259-I311 HydrophobicContact CB-CG2 4.33Å; P259-V312 HydrophobicContact CB-CG2 4.37Å; P259-V315 HydrophobicContact CB-CG2 4.27Å; P259-V315 WeakPolarHBondContact O-CG2 2.97Å
260	K	87	Confident	75.4	Confident	110 Å²	110	46.8 Å²	46.8	48%	0.478	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-27	175.5	-66.1	-177	178.7	-177.7	0	113	D258	D258-K260 PolarHBondContact O-N 3.32Å; D258-K260 WeakPolarHBondContact OD1-CB 3.25Å; D258-K260 PolarHBondContact OD1-N 3.33Å
261	I	83	Confident	72.8	Confident	27 Å²	27	48.8 Å²	48.8	14%	0.138	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-44.1	-178.2	-57.2	175.4	0	0	0	110.5	D258 P259 T275 A280	D258-I261 HydrophobicContact CB-CB 4.27Å; D258-I261 HydrophobicContact CB-CD1 4.02Å; D258-I261 HydrophobicContact CB-CG1 4.08Å; D258-I261 PolarHBondContact O-N 2.87Å; P259-I261 VanDerWaalsContact C-N 3.34Å; I261-T275 HydrophobicContact CG1-CG2 4.36Å; I261-A280 HydrophobicContact CG2-CB 4.11Å
262	G	81.7	Confident	70.3	Confident	6 Å²	6	51.4 Å²	51.4	6%	0.062	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.3	-155.5	-174.4	0	0	0	0	0	113.4	D258	D258-G262 PolarHBondContact O-N 3.21Å
263	I	75.9	Confident	67.9	Low	7 Å²	7	63.6 Å²	63.6	4%	0.036	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	18.3	-174.4	60.8	158.8	0	0	0	114.3	V257 N265 T283 M284 I319 A322	V257-I263 HydrophobicContact CG1-CG2 4.19Å; V257-I263 HydrophobicContact CG2-CG2 4.22Å; I263-N265 PolarHBondContact O-N 3.25Å; I263-T283 HydrophobicContact CG2-CG2 3.92Å; I263-M284 HydrophobicContact CB-SD 4.11Å; I263-M284 HydrophobicContact CD1-SD 4.3Å; I263-M284 WeakPolarHBondContact O-CG 3.46Å; I263-M284 VanDerWaalsContact O-SD 3.39Å; I263-I319 HydrophobicContact CD1-CB 4.32Å; I263-I319 HydrophobicContact CD1-CG1 3.88Å; I263-I319 HydrophobicContact CG1-CG1 4.12Å; I263-I319 HydrophobicContact CG2-CD1 4.36Å; I263-I319 HydrophobicContact CG2-CG1 3.77Å; I263-A322 HydrophobicContact CD1-CB 3.36Å
264	G	62.1	Low	65.4	Low	24 Å²	24	71.7 Å²	71.7	25%	0.247	35%	0.35	C	S	.	.	S	Bend	trans	81.2	1	163.8	0	0	0	0	0	118	V266 A280	G264-V266 VanDerWaalsContact C-N 3.26Å; G264-V266 PolarHBondContact O-N 2.83Å; G264-A280 VanDerWaalsContact CA-CB 3.41Å
265	N	50.5	Low	62.8	Low	105 Å²	105	73.1 Å²	73.1	56%	0.561	36%	0.358	S	S	*	.			trans	-81.9	-3.1	171.7	-77.2	-13.6	0	0	0	113.9	I263 S267	I263-N265 PolarHBondContact O-N 3.25Å; N265-S267 PolarHBondContact O-N 3.03Å; N265-S267 VanDerWaalsContact O-N 3.12Å
266	V	43.4	Very low	60.6	Low	44 Å²	44	76 Å²	76	27%	0.267	38%	0.378	S	S	.	.	S	Bend	trans	-71.1	113.9	175.9	-175.9	0	0	0	0	107.5	G264 E268	G264-V266 VanDerWaalsContact C-N 3.26Å; G264-V266 PolarHBondContact O-N 2.83Å; V266-E268 PolarHBondContact O-N 2.82Å
267	S	37.9	Very low	58.4	Low	78 Å²	78	79.7 Å²	79.7	55%	0.545	40%	0.402	S	S	.	.			trans	-34.3	128.5	166.1	178.6	0	0	0	0	109.4	N265 K269 Y270	N265-S267 PolarHBondContact O-N 3.03Å; N265-S267 VanDerWaalsContact O-N 3.12Å; S267-K269 PolarHBondContact O-N 3.48Å; S267-Y270 PolarHBondContact O-N 2.73Å
268	E	40.3	Very low	56.7	Low	180 Å²	180	81.5 Å²	81.5	84%	0.841	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.3	-21.8	179.1	-161.4	171.8	-157	0	0	113.5	V266 Y270	V266-E268 PolarHBondContact O-N 2.82Å; E268-Y270 PolarHBondContact O-N 2.68Å
269	K	39.1	Very low	54.9	Low	182 Å²	182	81.4 Å²	81.4	79%	0.791	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-28.1	174.1	-121.8	178.4	-177	179	0	117	S267	S267-K269 PolarHBondContact O-N 3.48Å
270	Y	41.4	Very low	53.4	Low	180 Å²	180	81.3 Å²	81.3	71%	0.706	41%	0.414	S	S	*	.	S	Bend	trans	-115.6	0.9	-175.5	-72.8	-78.8	0	0	0	114.2	S267 E268 P272	S267-Y270 PolarHBondContact O-N 2.73Å; E268-Y270 PolarHBondContact O-N 2.68Å; Y270-P272 WeakPolarHBondContact O-CD 3.46Å
271	L	38.8	Very low	52.8	Low	43 Å²	43	80.3 Å²	80.3	23%	0.225	41%	0.414	C	S	.	.	S	Bend	trans	-65.6	126.6	172.5	-146	83.3	0	0	0	108	R273 T275 P277	L271-R273 PolarHBondContact O-N 2.82Å; L271-T275 VanDerWaalsContact CD2-O 3.27Å; L271-T275 WeakPolarHBondContact CD2-O 3.36Å; L271-T275 WeakPolarHBondContact CD2-OG1 3.48Å; L271-T275 VanDerWaalsContact CG-OG1 3.27Å; L271-T275 WeakPolarHBondContact CG-OG1 3.39Å; L271-P277 HydrophobicContact CD2-CG 4.3Å
272	P	37.8	Very low	52.9	Low	75 Å²	75	79.2 Å²	79.2	49%	0.487	41%	0.408	S	S	.	.			trans	-51.5	135.5	169.6	-22.4	31.1	0	0	0	108.7	Y270 L274 T275	Y270-P272 WeakPolarHBondContact O-CD 3.46Å; P272-L274 PolarHBondContact O-N 3.38Å; P272-T275 WeakPolarHBondContact CD-OG1 3.31Å; P272-T275 PolarHBondContact O-N 3.21Å; P272-T275 PolarHBondContact O-OG1 2.95Å
273	R	43.2	Very low	53.3	Low	260 Å²	260	79 Å²	79	98%	0.981	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-10.4	177.8	-70.9	-175.5	174.5	-171.8	-1.4	113.9	L271	L271-R273 PolarHBondContact O-N 2.82Å
274	L	43.3	Very low	53.7	Low	171 Å²	171	80.1 Å²	80.1	90%	0.895	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-11.2	177.4	-95.9	87	0	0	0	115.3	P272	P272-L274 PolarHBondContact O-N 3.38Å
275	T	43.6	Very low	54.8	Low	31 Å²	31	80.2 Å²	80.2	19%	0.19	41%	0.406	C	S	.	.	S	Bend	trans	-97.3	130.1	-178.4	34.3	0	0	0	0	111.2	I261 L271 P272	I261-T275 HydrophobicContact CG1-CG2 4.36Å; L271-T275 VanDerWaalsContact CD2-O 3.27Å; L271-T275 WeakPolarHBondContact CD2-O 3.36Å; L271-T275 WeakPolarHBondContact CD2-OG1 3.48Å; L271-T275 VanDerWaalsContact CG-OG1 3.27Å; L271-T275 WeakPolarHBondContact CG-OG1 3.39Å; P272-T275 WeakPolarHBondContact CD-OG1 3.31Å; P272-T275 PolarHBondContact O-N 3.21Å; P272-T275 PolarHBondContact O-OG1 2.95Å
276	C	50.3	Low	56.7	Low	62 Å²	62	75.3 Å²	75.3	42%	0.419	38%	0.379	S	S	.	.			trans	-76.1	123.3	177.8	46.3	0	0	0	0	111	C278 S279	C276-C278 PolarHBondContact O-N 3.49Å; C276-C278 VanDerWaalsContact O-N 3.08Å; C276-S279 PolarHBondContact O-N 3.44Å; C276-S279 VanDerWaalsContact O-N 3.11Å; C276-S279 PolarHBondContact SG-OG 2.84Å
277	P	51.5	Low	59	Low	77 Å²	77	73.4 Å²	73.4	50%	0.5	37%	0.368	S	S	.	.	H	α-helix	trans	-57.2	-27.3	-178	-24.5	32	0	0	0	114.1	L271 S279 A280 N281	L271-P277 HydrophobicContact CD2-CG 4.3Å; P277-S279 VanDerWaalsContact C-N 3.32Å; P277-S279 PolarHBondContact O-N 3.41Å; P277-A280 PolarHBondContact O-N 2.77Å; P277-N281 PolarHBondContact O-N 3.08Å; P277-N281 PolarHBondContact O-ND2 2.98Å
278	C	58.3	Low	61.3	Low	39 Å²	39	70.5 Å²	70.5	26%	0.264	35%	0.348	S	S	.	.	H	α-helix	trans	-63.8	-32.4	178.8	54.2	0	0	0	0	113.4	E235 C276 N281 T282	E235-C278 WeakPolarHBondContact OE2-CB 3.41Å; C276-C278 PolarHBondContact O-N 3.49Å; C276-C278 VanDerWaalsContact O-N 3.08Å; C278-N281 PolarHBondContact O-N 3.25Å; C278-T282 PolarHBondContact O-N 3.42Å; C278-T282 PolarHBondContact O-OG1 3.37Å
279	S	55	Low	63.6	Low	4 Å²	4	62 Å²	62	3%	0.028	31%	0.308	C	S	.	.	H	α-helix	trans	-67.8	-42.5	-179.5	-62.4	0	0	0	0	111.7	S151 D152 C276 P277 T282 T283	S151-S279 WeakPolarHBondContact CB-O 3.37Å; D152-S279 PolarHBondContact OD1-OG 3.18Å; C276-S279 PolarHBondContact O-N 3.44Å; C276-S279 VanDerWaalsContact O-N 3.11Å; C276-S279 PolarHBondContact SG-OG 2.84Å; P277-S279 VanDerWaalsContact C-N 3.32Å; P277-S279 PolarHBondContact O-N 3.41Å; S279-T282 WeakPolarHBondContact O-CB 3.42Å; S279-T282 PolarHBondContact O-N 2.96Å; S279-T282 VanDerWaalsContact O-N 3.17Å; S279-T283 PolarHBondContact O-N 3.07Å
280	A	57.8	Low	66	Low	3 Å²	3	53.4 Å²	53.4	3%	0.025	27%	0.27	C	S	.	.	H	α-helix	trans	-67.3	-39.5	178.8	0	0	0	0	0	111.7	I261 G264 P277 T282 T283 M284	I261-A280 HydrophobicContact CG2-CB 4.11Å; G264-A280 VanDerWaalsContact CA-CB 3.41Å; P277-A280 PolarHBondContact O-N 2.77Å; A280-T282 VanDerWaalsContact C-N 3.26Å; A280-T282 PolarHBondContact O-N 3.44Å; A280-T283 PolarHBondContact O-N 2.78Å; A280-M284 PolarHBondContact O-N 3.49Å
281	N	74.6	Confident	68.2	Low	89 Å²	89	46.2 Å²	46.2	48%	0.476	24%	0.243	S	C	.	.	H	α-helix	trans	-61	-35.9	172	-71.2	-25	0	0	0	112.2	P277 C278 M284 D285	P277-N281 PolarHBondContact O-N 3.08Å; P277-N281 PolarHBondContact O-ND2 2.98Å; C278-N281 PolarHBondContact O-N 3.25Å; N281-M284 PolarHBondContact O-N 2.9Å; N281-D285 VanDerWaalsContact O-CG 3.28Å; N281-D285 PolarHBondContact O-N 2.82Å
282	T	85.4	Confident	70.2	Confident	3 Å²	3	44.9 Å²	44.9	2%	0.018	24%	0.238	C	C	.	.	H	α-helix	trans	-66.6	-38.7	179.7	-55.8	0	0	0	0	112	G233 C278 S279 A280 M284 D285 H286	G233-T282 WeakPolarHBondContact O-CG2 3.39Å; C278-T282 PolarHBondContact O-N 3.42Å; C278-T282 PolarHBondContact O-OG1 3.37Å; S279-T282 WeakPolarHBondContact O-CB 3.42Å; S279-T282 PolarHBondContact O-N 2.96Å; S279-T282 VanDerWaalsContact O-N 3.17Å; A280-T282 VanDerWaalsContact C-N 3.26Å; A280-T282 PolarHBondContact O-N 3.44Å; T282-M284 VanDerWaalsContact C-N 3.33Å; T282-M284 PolarHBondContact O-N 2.93Å; T282-D285 WeakPolarHBondContact O-CB 3.35Å; T282-D285 PolarHBondContact O-N 3.13Å; T282-H286 VanDerWaalsContact CG2-CE1 3.41Å; T282-H286 WeakPolarHBondContact CG2-CE1 3.43Å; T282-H286 WeakPolarHBondContact CG2-NE2 3.32Å; T282-H286 WeakPolarHBondContact O-CB 3.19Å; T282-H286 PolarHBondContact O-CD2 3.09Å; T282-H286 PolarHBondContact O-N 3.2Å
283	T	88.8	Confident	72.6	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-61.4	-42.3	173.9	-59.1	0	0	0	0	111.6	S151 L255 V257 I263 S279 A280 H286 L287	S151-T283 WeakPolarHBondContact CB-OG1 3.25Å; S151-T283 PolarHBondContact N-OG1 3.04Å; L255-T283 HydrophobicContact CD1-CG2 4.11Å; L255-T283 HydrophobicContact CD2-CG2 4.12Å; L255-T283 HydrophobicContact CG-CG2 4.35Å; V257-T283 HydrophobicContact CG2-CG2 4.1Å; I263-T283 HydrophobicContact CG2-CG2 3.92Å; S279-T283 PolarHBondContact O-N 3.07Å; A280-T283 PolarHBondContact O-N 2.78Å; T283-H286 PolarHBondContact O-N 3.34Å; T283-L287 WeakPolarHBondContact O-CB 3.48Å; T283-L287 PolarHBondContact O-N 2.88Å
284	M	84.7	Confident	74.6	Confident	31 Å²	31	34.4 Å²	34.4	15%	0.153	19%	0.194	C	C	.	.	H	α-helix	trans	-67.2	-36.6	176.3	-73.8	-62.1	-71.8	0	0	113	I263 A280 N281 T282 L287 S288 Y328	I263-M284 HydrophobicContact CB-SD 4.11Å; I263-M284 HydrophobicContact CD1-SD 4.3Å; I263-M284 WeakPolarHBondContact O-CG 3.46Å; I263-M284 VanDerWaalsContact O-SD 3.39Å; A280-M284 PolarHBondContact O-N 3.49Å; N281-M284 PolarHBondContact O-N 2.9Å; T282-M284 VanDerWaalsContact C-N 3.33Å; T282-M284 PolarHBondContact O-N 2.93Å; M284-L287 PolarHBondContact O-N 3.48Å; M284-L287 HydrophobicContact SD-CD2 4.21Å; M284-S288 WeakPolarHBondContact O-CB 3.24Å; M284-S288 PolarHBondContact O-N 3.44Å; M284-S288 PolarHBondContact O-OG 3.48Å; M284-Y328 HydrophobicContact CE-CE2 4.12Å
285	D	85.7	Confident	76.9	Confident	27 Å²	27	26.5 Å²	26.5	14%	0.144	15%	0.153	C	C	.	.	H	α-helix	trans	-62.5	-46	173.7	-75.7	-23.8	0	0	0	111.4	N281 T282 L287 S288 W289 K567	N281-D285 VanDerWaalsContact O-CG 3.28Å; N281-D285 PolarHBondContact O-N 2.82Å; T282-D285 WeakPolarHBondContact O-CB 3.35Å; T282-D285 PolarHBondContact O-N 3.13Å; D285-L287 PolarHBondContact O-N 2.87Å; D285-S288 WeakPolarHBondContact O-CB 3.46Å; D285-S288 PolarHBondContact O-N 2.83Å; D285-W289 HydrophobicContact CB-CH2 4.15Å; D285-W289 HydrophobicContact CB-CZ2 3.9Å; D285-W289 VanDerWaalsContact O-CD2 3.28Å; D285-W289 PolarHBondContact O-N 2.97Å; D285-K567 IonicContact OD1-NZ 3.38Å; D285-K567 PolarHBondContact OD1-NZ 3.47Å; D285-K567 IonicContact OD2-NZ 3.77Å; D285-K567 PolarHBondContact OD2-NZ 2.71Å
286	H	91	Very high	79.2	Confident	1 Å²	1	25.6 Å²	25.6	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-61.7	-43.5	176.8	-69.4	171.2	0	0	0	112.4	L149 G150 L255 T282 T283 W289 S290	L149-H286 HydrophobicContact CB-CB 4.01Å; L149-H286 HydrophobicContact CD1-CB 4.09Å; L149-H286 HydrophobicContact CG-CB 4.48Å; G150-H286 PolarHBondContact N-ND1 3.41Å; G150-H286 PolarHBondContact O-CE1 2.96Å; G150-H286 PolarHBondContact O-ND1 3.37Å; L255-H286 HydrophobicContact CD1-CB 4.15Å; T282-H286 VanDerWaalsContact CG2-CE1 3.41Å; T282-H286 WeakPolarHBondContact CG2-CE1 3.43Å; T282-H286 WeakPolarHBondContact CG2-NE2 3.32Å; T282-H286 WeakPolarHBondContact O-CB 3.19Å; T282-H286 PolarHBondContact O-CD2 3.09Å; T282-H286 PolarHBondContact O-N 3.2Å; T283-H286 PolarHBondContact O-N 3.34Å; H286-W289 AromaticContact CD2-CE3 3.77Å; H286-W289 AromaticContact CD2-CZ3 3.4Å; H286-W289 WeakPolarHBondContact CD2-CZ3 3.36Å; H286-W289 AromaticContact NE2-CZ3 3.88Å; H286-W289 PolarHBondContact O-N 3.25Å; H286-S290 WeakPolarHBondContact O-CB 3.44Å; H286-S290 PolarHBondContact O-N 3Å; H286-S290 PolarHBondContact O-OG 3.25Å
287	L	90.4	Very high	81.3	Confident	4 Å²	4	22.9 Å²	22.9	2%	0.021	13%	0.129	C	C	.	.	H	α-helix	trans	-60.1	-48.7	174.2	-173.4	61.3	0	0	0	110.5	L255 T283 M284 D285 W289 S290 F291 V297 L323 Y328	L255-L287 HydrophobicContact CD2-CB 4.01Å; L255-L287 HydrophobicContact CD2-CD1 3.74Å; L255-L287 HydrophobicContact CD2-CG 4.3Å; T283-L287 WeakPolarHBondContact O-CB 3.48Å; T283-L287 PolarHBondContact O-N 2.88Å; M284-L287 PolarHBondContact O-N 3.48Å; M284-L287 HydrophobicContact SD-CD2 4.21Å; D285-L287 PolarHBondContact O-N 2.87Å; L287-W289 PolarHBondContact O-N 2.81Å; L287-S290 WeakPolarHBondContact O-CB 3.28Å; L287-S290 PolarHBondContact O-N 2.83Å; L287-F291 HydrophobicContact CD1-CD2 3.82Å; L287-F291 HydrophobicContact CD1-CE2 3.37Å; L287-F291 HydrophobicContact CD1-CZ 4.46Å; L287-F291 HydrophobicContact CG-CD2 3.96Å; L287-F291 HydrophobicContact CG-CE2 3.85Å; L287-F291 VanDerWaalsContact O-CD2 3.28Å; L287-F291 WeakPolarHBondContact O-CD2 3.43Å; L287-F291 PolarHBondContact O-N 3.05Å; L287-V297 HydrophobicContact CD1-CG1 4.16Å; L287-L323 HydrophobicContact CD1-CD2 4.36Å; L287-L323 HydrophobicContact CD2-CD2 4.14Å; L287-Y328 HydrophobicContact CD2-CE1 4.34Å; L287-Y328 HydrophobicContact CD2-CE2 4.15Å; L287-Y328 HydrophobicContact CG-CE1 4.07Å
288	S	85.8	Confident	83.5	Confident	18 Å²	18	19.2 Å²	19.2	13%	0.126	11%	0.105	C	C	.	.	H	α-helix	trans	-56	-47.4	178.4	-68.8	0	0	0	0	112.4	M284 D285 F291 A292 Y328	M284-S288 WeakPolarHBondContact O-CB 3.24Å; M284-S288 PolarHBondContact O-N 3.44Å; M284-S288 PolarHBondContact O-OG 3.48Å; D285-S288 WeakPolarHBondContact O-CB 3.46Å; D285-S288 PolarHBondContact O-N 2.83Å; S288-F291 PolarHBondContact O-N 3.47Å; S288-A292 VanDerWaalsContact O-CB 3.26Å; S288-A292 WeakPolarHBondContact O-CB 3.27Å; S288-A292 PolarHBondContact O-N 3.16Å; S288-Y328 PolarHBondContact OG-OH 3.36Å; S288-Y328 VanDerWaalsContact OG-OH 3.11Å
289	W	88.5	Confident	85.3	Confident	2 Å²	2	17.5 Å²	17.5	1%	0.008	9%	0.093	C	C	.	.	H	α-helix	trans	-67.3	-37.4	179	-58.8	-24.3	0	0	0	112.7	M238 T241 I242 L245 D285 H286 L287 A292 L293 L560	M238-W289 HydrophobicContact CB-CH2 4.02Å; M238-W289 HydrophobicContact CG-CH2 3.7Å; M238-W289 HydrophobicContact SD-CH2 3.82Å; M238-W289 HydrophobicContact SD-CZ2 4.19Å; T241-W289 HydrophobicContact CG2-CZ3 4.19Å; I242-W289 HydrophobicContact CD1-CH2 3.94Å; I242-W289 HydrophobicContact CD1-CZ2 3.89Å; I242-W289 HydrophobicContact CD1-CZ3 4.27Å; I242-W289 HydrophobicContact CG1-CD2 4.05Å; I242-W289 HydrophobicContact CG1-CE3 3.78Å; I242-W289 HydrophobicContact CG1-CH2 3.88Å; I242-W289 HydrophobicContact CG1-CZ2 4.13Å; I242-W289 HydrophobicContact CG1-CZ3 3.68Å; L245-W289 HydrophobicContact CD2-CB 3.81Å; D285-W289 HydrophobicContact CB-CH2 4.15Å; D285-W289 HydrophobicContact CB-CZ2 3.9Å; D285-W289 VanDerWaalsContact O-CD2 3.28Å; D285-W289 PolarHBondContact O-N 2.97Å; H286-W289 AromaticContact CD2-CE3 3.77Å; H286-W289 AromaticContact CD2-CZ3 3.4Å; H286-W289 WeakPolarHBondContact CD2-CZ3 3.36Å; H286-W289 AromaticContact NE2-CZ3 3.88Å; H286-W289 PolarHBondContact O-N 3.25Å; L287-W289 PolarHBondContact O-N 2.81Å; W289-A292 PolarHBondContact O-N 2.87Å; W289-L293 WeakPolarHBondContact O-CB 3.33Å; W289-L293 WeakPolarHBondContact O-CG 3.21Å; W289-L293 PolarHBondContact O-N 3.28Å; W289-L560 HydrophobicContact CB-CD1 4.31Å; W289-L560 HydrophobicContact CD2-CD1 4.46Å; W289-L560 HydrophobicContact CG-CD1 3.86Å
290	S	91.2	Very high	87.4	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-61.7	-45.8	177.7	-55.3	0	0	0	0	111	L149 H286 L287 L293 E294 V295 V297	L149-S290 VanDerWaalsContact CD1-OG 3.28Å; L149-S290 WeakPolarHBondContact CD1-OG 3.13Å; H286-S290 WeakPolarHBondContact O-CB 3.44Å; H286-S290 PolarHBondContact O-N 3Å; H286-S290 PolarHBondContact O-OG 3.25Å; L287-S290 WeakPolarHBondContact O-CB 3.28Å; L287-S290 PolarHBondContact O-N 2.83Å; S290-L293 PolarHBondContact O-N 3.49Å; S290-E294 PolarHBondContact O-N 3.15Å; S290-V295 PolarHBondContact O-N 2.76Å; S290-V297 VanDerWaalsContact CB-CG2 3.43Å
291	F	85.8	Confident	89.3	Confident	30 Å²	30	17.1 Å²	17.1	13%	0.132	9%	0.091	C	C	.	.	H	α-helix	trans	-68.6	-38.5	175.2	-80.7	-70.5	0	0	0	113.1	L287 S288 L293 E294 V297 L323 Y328 R330 V354	L287-F291 HydrophobicContact CD1-CD2 3.82Å; L287-F291 HydrophobicContact CD1-CE2 3.37Å; L287-F291 HydrophobicContact CD1-CZ 4.46Å; L287-F291 HydrophobicContact CG-CD2 3.96Å; L287-F291 HydrophobicContact CG-CE2 3.85Å; L287-F291 VanDerWaalsContact O-CD2 3.28Å; L287-F291 WeakPolarHBondContact O-CD2 3.43Å; L287-F291 PolarHBondContact O-N 3.05Å; S288-F291 PolarHBondContact O-N 3.47Å; F291-L293 VanDerWaalsContact C-N 3.27Å; F291-L293 PolarHBondContact O-N 2.64Å; F291-E294 PolarHBondContact O-N 2.84Å; F291-V297 HydrophobicContact CE2-CG2 4.5Å; F291-L323 HydrophobicContact CE2-CD2 3.84Å; F291-L323 HydrophobicContact CZ-CD2 3.99Å; F291-Y328 HydrophobicContact CB-CD1 4.15Å; F291-Y328 HydrophobicContact CB-CE1 4.38Å; F291-Y328 HydrophobicContact CD1-CD1 4.44Å; F291-Y328 AromaticContact CD2-CD1 3.2Å; F291-Y328 HydrophobicContact CD2-CD1 3.2Å; F291-Y328 AromaticContact CD2-CE1 3.52Å; F291-Y328 HydrophobicContact CD2-CE1 3.52Å; F291-Y328 HydrophobicContact CD2-CG 4.2Å; F291-Y328 AromaticContact CE2-CD1 3.57Å; F291-Y328 HydrophobicContact CE2-CD1 3.57Å; F291-Y328 HydrophobicContact CE2-CE1 4.11Å; F291-Y328 HydrophobicContact CE2-CG 4.15Å; F291-Y328 AromaticContact CG-CD1 3.69Å; F291-Y328 HydrophobicContact CG-CD1 3.69Å; F291-Y328 HydrophobicContact CG-CE1 4.2Å; F291-Y328 HydrophobicContact CZ-CD1 4.38Å; F291-R330 HydrophobicContact CE1-CG 3.49Å; F291-R330 VanDerWaalsContact CE1-CG 3.49Å; F291-R330 HydrophobicContact CZ-CG 3.6Å; F291-V354 HydrophobicContact CZ-CG2 4.26Å
292	A	82.3	Confident	90.3	Very high	14 Å²	14	12.9 Å²	12.9	12%	0.116	7%	0.068	C	C	.	.	H	α-helix	trans	-61.4	-36.6	176.9	0	0	0	0	0	113.2	S288 W289 I569	S288-A292 VanDerWaalsContact O-CB 3.26Å; S288-A292 WeakPolarHBondContact O-CB 3.27Å; S288-A292 PolarHBondContact O-N 3.16Å; W289-A292 PolarHBondContact O-N 2.87Å; A292-I569 HydrophobicContact CB-CB 4.23Å; A292-I569 HydrophobicContact CB-CD1 4.01Å; A292-I569 HydrophobicContact CB-CG2 3.44Å; A292-I569 VanDerWaalsContact CB-CG2 3.44Å
293	L	87.2	Confident	90.7	Very high	26 Å²	26	14.5 Å²	14.5	14%	0.136	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	8.1	176.4	-65	171.9	0	0	0	112.5	L245 W289 S290 F291 V295 R558	L245-L293 HydrophobicContact CB-CD1 4.28Å; L245-L293 HydrophobicContact CD2-CD1 3.66Å; L245-L293 HydrophobicContact CG-CD1 3.58Å; W289-L293 WeakPolarHBondContact O-CB 3.33Å; W289-L293 WeakPolarHBondContact O-CG 3.21Å; W289-L293 PolarHBondContact O-N 3.28Å; S290-L293 PolarHBondContact O-N 3.49Å; F291-L293 VanDerWaalsContact C-N 3.27Å; F291-L293 PolarHBondContact O-N 2.64Å; L293-V295 HydrophobicContact CB-CG2 3.98Å; L293-V295 PolarHBondContact O-N 3.46Å; L293-R558 HydrophobicContact CD2-CB 4.25Å
294	E	86.5	Confident	90.9	Very high	89 Å²	89	15.2 Å²	15.2	42%	0.416	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	38.1	-179.6	-62.7	176.1	163.9	0	0	112.4	S290 F291 Q351 R558	S290-E294 PolarHBondContact O-N 3.15Å; F291-E294 PolarHBondContact O-N 2.84Å; E294-Q351 PolarHBondContact O-NE2 3.22Å; E294-R558 IonicContact OE1-CZ 3.95Å; E294-R558 IonicContact OE1-NH1 3.87Å; E294-R558 IonicContact OE1-NH2 2.76Å; E294-R558 PolarHBondContact OE1-NH2 3.07Å; E294-R558 IonicContact OE2-CZ 2.95Å; E294-R558 IonicContact OE2-NE 2.61Å; E294-R558 IonicContact OE2-NH2 3.16Å; E294-R558 PolarHBondContact OE2-NH2 2.86Å
295	V	90.8	Very high	91.4	Very high	6 Å²	6	16.7 Å²	16.7	4%	0.036	9%	0.088	C	C	.	.			trans	-91.7	124.4	175.1	-173.9	0	0	0	0	108.3	P250 V253 S290 L293 V297	P250-V295 HydrophobicContact CG-CG1 4.25Å; V253-V295 HydrophobicContact CB-CG1 4.41Å; V253-V295 HydrophobicContact CG2-CB 4.34Å; V253-V295 HydrophobicContact CG2-CG1 3.75Å; S290-V295 PolarHBondContact O-N 2.76Å; L293-V295 HydrophobicContact CB-CG2 3.98Å; L293-V295 PolarHBondContact O-N 3.46Å; V295-V297 PolarHBondContact O-N 2.69Å
296	P	92.8	Very high	91.7	Very high	12 Å²	12	19.6 Å²	19.6	8%	0.078	10%	0.102	C	C	.	.			trans	-55.3	136.2	174.5	-19.2	26.4	0	0	0	111.6	H251 F252 V253 F348 Q351	H251-P296 WeakPolarHBondContact O-CD 3.4Å; F252-P296 CarbonylContact C-O 3.57Å; F252-P296 VanDerWaalsContact CA-O 3.25Å; F252-P296 WeakPolarHBondContact CA-O 3.24Å; F252-P296 HydrophobicContact CB-CB 4.29Å; F252-P296 WeakPolarHBondContact CB-O 3.45Å; V253-P296 PolarHBondContact N-O 2.87Å; P296-F348 HydrophobicContact CB-CD1 4.33Å; P296-F348 HydrophobicContact CB-CE1 3.58Å; P296-F348 HydrophobicContact CB-CE2 4.38Å; P296-F348 HydrophobicContact CB-CZ 3.61Å; P296-F348 HydrophobicContact CG-CE1 4.49Å; P296-Q351 HydrophobicContact CB-CG 4.27Å; P296-Q351 HydrophobicContact CG-CG 3.92Å
297	V	94.3	Very high	91.7	Very high	4 Å²	4	20.2 Å²	20.2	2%	0.024	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	136.5	-179.5	-177.8	0	0	0	0	109.6	V253 L255 L287 S290 F291 V295 I299	V253-V297 HydrophobicContact CB-CG2 4.15Å; V253-V297 HydrophobicContact CG1-CG1 4.31Å; V253-V297 HydrophobicContact CG1-CG2 4.31Å; V253-V297 WeakPolarHBondContact O-CA 3.16Å; L255-V297 HydrophobicContact CB-CG1 3.88Å; L287-V297 HydrophobicContact CD1-CG1 4.16Å; S290-V297 VanDerWaalsContact CB-CG2 3.43Å; F291-V297 HydrophobicContact CE2-CG2 4.5Å; V295-V297 PolarHBondContact O-N 2.69Å; V297-I299 HydrophobicContact CG1-CG1 4.34Å
298	F	96.2	Very high	91.8	Very high	1 Å²	1	24 Å²	24	0%	0.004	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	154.9	155.5	69.3	-94.5	0	0	0	109.7	F252 V253 V254 L255 V300 F348 P355 F357 L370 F373 L374 L377	F252-F298 HydrophobicContact CD2-CD1 4.23Å; F252-F298 AromaticContact CD2-CE1 3.55Å; F252-F298 HydrophobicContact CD2-CE1 3.55Å; F252-F298 AromaticContact CE2-CE1 3.73Å; F252-F298 HydrophobicContact CE2-CE1 3.73Å; F252-F298 HydrophobicContact CE2-CZ 4.39Å; V253-F298 PolarHBondContact O-N 2.9Å; V254-F298 HydrophobicContact CB-CE2 4.21Å; V254-F298 HydrophobicContact CB-CZ 4.07Å; V254-F298 HydrophobicContact CG1-CD2 4.38Å; V254-F298 HydrophobicContact CG1-CE2 3.65Å; V254-F298 HydrophobicContact CG1-CZ 3.95Å; V254-F298 HydrophobicContact CG2-CE1 3.71Å; V254-F298 HydrophobicContact CG2-CE2 3.91Å; V254-F298 HydrophobicContact CG2-CZ 3.28Å; L255-F298 PolarHBondContact N-O 2.86Å; F298-V300 HydrophobicContact CD2-CG2 3.92Å; F298-V300 HydrophobicContact CE2-CG2 3.67Å; F298-F348 HydrophobicContact CB-CE2 4.08Å; F298-F348 HydrophobicContact CB-CZ 4.4Å; F298-F348 HydrophobicContact CD1-CE2 4.38Å; F298-F348 AromaticContact CD1-CZ 3.95Å; F298-F348 HydrophobicContact CD1-CZ 3.95Å; F298-P355 HydrophobicContact CB-CB 3.96Å; F298-P355 HydrophobicContact CB-CG 4Å; F298-F357 HydrophobicContact CD2-CD2 4.08Å; F298-F357 HydrophobicContact CD2-CE2 4.19Å; F298-L370 HydrophobicContact CE2-CD1 3.63Å; F298-L370 HydrophobicContact CZ-CD1 4.15Å; F298-F373 HydrophobicContact CB-CE1 4.4Å; F298-F373 AromaticContact CD1-CE1 3.73Å; F298-F373 HydrophobicContact CD1-CE1 3.73Å; F298-F373 HydrophobicContact CD2-CE1 4.41Å; F298-F373 HydrophobicContact CE1-CD1 4.48Å; F298-F373 AromaticContact CE1-CE1 3.94Å; F298-F373 HydrophobicContact CE1-CE1 3.94Å; F298-F373 AromaticContact CG-CE1 3.96Å; F298-F373 HydrophobicContact CG-CE1 3.96Å; F298-F373 HydrophobicContact CZ-CE1 4.38Å; F298-L374 HydrophobicContact CE1-CD2 4.39Å; F298-L374 HydrophobicContact CZ-CD2 4.02Å; F298-L377 HydrophobicContact CE1-CD1 4.49Å
299	I	97.4	Very high	92.1	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.01	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	138.4	-170.9	-60.2	177.5	0	0	0	109.4	L255 V257 V297 V301 I319 L323 V354 P355 I356 F357	L255-I299 HydrophobicContact CB-CG1 4.24Å; L255-I299 HydrophobicContact CD2-CD1 4.49Å; L255-I299 HydrophobicContact CD2-CG1 4.36Å; L255-I299 CarbonylContact O-C 3.49Å; L255-I299 VanDerWaalsContact O-CA 3.28Å; L255-I299 WeakPolarHBondContact O-CA 3.02Å; V257-I299 HydrophobicContact CG2-CG2 3.94Å; V297-I299 HydrophobicContact CG1-CG1 4.34Å; I299-V301 HydrophobicContact CG2-CG2 4.43Å; I299-I319 HydrophobicContact CD1-CG2 3.36Å; I299-I319 HydrophobicContact CG2-CD1 4.23Å; I299-L323 HydrophobicContact CD1-CD1 3.85Å; I299-V354 HydrophobicContact CD1-CG1 3.89Å; I299-V354 HydrophobicContact CG1-CG1 3.91Å; I299-P355 PolarHBondContact N-O 3.11Å; I299-I356 HydrophobicContact CB-CG1 4.26Å; I299-I356 HydrophobicContact CG2-CG2 4.45Å; I299-I356 WeakPolarHBondContact O-CA 3.26Å; I299-F357 PolarHBondContact O-N 2.82Å
300	V	98.1	Very high	92.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	108.5	175.2	-176.6	0	0	0	0	108.7	L159 V254 L255 V256 V257 F298 T302 F357 V359 L370	L159-V300 HydrophobicContact CD2-CB 4.24Å; L159-V300 HydrophobicContact CD2-CG1 3.73Å; L159-V300 HydrophobicContact CD2-CG2 4.49Å; V254-V300 HydrophobicContact CG1-CB 4.39Å; V254-V300 HydrophobicContact CG1-CG2 3.64Å; L255-V300 PolarHBondContact O-N 3.38Å; V256-V300 CarbonylContact C-O 3.55Å; V256-V300 VanDerWaalsContact CA-O 3.29Å; V256-V300 WeakPolarHBondContact CA-O 3.49Å; V257-V300 PolarHBondContact N-O 2.73Å; F298-V300 HydrophobicContact CD2-CG2 3.92Å; F298-V300 HydrophobicContact CE2-CG2 3.67Å; V300-T302 HydrophobicContact CG1-CG2 4.04Å; V300-F357 CarbonylContact C-O 3.58Å; V300-F357 WeakPolarHBondContact CA-O 3.27Å; V300-F357 HydrophobicContact CG2-CB 4.36Å; V300-V359 HydrophobicContact CG1-CB 4.31Å; V300-V359 HydrophobicContact CG1-CG1 4Å; V300-V359 HydrophobicContact CG1-CG2 3.32Å; V300-L370 HydrophobicContact CG2-CD1 4.26Å; V300-L370 HydrophobicContact CG2-CD2 4.38Å
301	V	97.3	Very high	92.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	111.5	171.7	-176.5	0	0	0	0	107.7	V257 P259 I299 V304 V316 I319 I356 F357 T358 V359	V257-V301 WeakPolarHBondContact O-CA 3.49Å; P259-V301 HydrophobicContact CB-CG1 4.1Å; P259-V301 HydrophobicContact CG-CG1 4.23Å; I299-V301 HydrophobicContact CG2-CG2 4.43Å; V301-V304 HydrophobicContact CG1-CG1 4.49Å; V301-V316 HydrophobicContact CG2-CG2 4.23Å; V301-I319 HydrophobicContact CG2-CD1 4.15Å; V301-I356 HydrophobicContact CG2-CG2 4.08Å; V301-F357 PolarHBondContact N-O 2.78Å; V301-T358 HydrophobicContact CB-CG2 4.22Å; V301-T358 WeakPolarHBondContact O-CA 3.34Å; V301-V359 PolarHBondContact O-N 3.12Å
302	T	95.8	Very high	92.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.199	C	C	.	.			trans	-95.1	-177.4	-177.5	62.6	0	0	0	0	111.4	S154 L159 V256 V257 P259 V300 V304 V359	S154-T302 PolarHBondContact O-OG1 3Å; L159-T302 HydrophobicContact CD2-CG2 4.38Å; V256-T302 HydrophobicContact CG1-CG2 3.32Å; V257-T302 PolarHBondContact O-N 3.37Å; P259-T302 WeakPolarHBondContact CD-O 3.44Å; P259-T302 WeakPolarHBondContact CG-O 3.09Å; V300-T302 HydrophobicContact CG1-CG2 4.04Å; T302-V304 PolarHBondContact O-N 3.18Å; T302-V304 VanDerWaalsContact O-N 3.11Å; T302-V359 CarbonylContact C-O 3.49Å; T302-V359 VanDerWaalsContact CA-O 3.28Å; T302-V359 WeakPolarHBondContact CA-O 3.37Å; T302-V359 HydrophobicContact CG2-CG2 3.91Å
303	K	94.1	Very high	93.2	Very high	37 Å²	37	40.7 Å²	40.7	16%	0.161	21%	0.209	C	C	.	.			trans	56.4	30.7	172	-56.9	-171.9	-168.6	171.6	0	113.6	D153 D258 D305 I306 A307 V359	D153-K303 WeakPolarHBondContact O-CE 3.29Å; D153-K303 PolarHBondContact O-NZ 3.24Å; D153-K303 IonicContact OD1-NZ 2.75Å; D153-K303 IonicContact OD2-NZ 3.77Å; D153-K303 PolarHBondContact OD2-NZ 2.84Å; D258-K303 WeakPolarHBondContact OD2-CD 3.38Å; D258-K303 WeakPolarHBondContact OD2-CE 3.27Å; D258-K303 IonicContact OD2-NZ 3.52Å; D258-K303 PolarHBondContact OD2-NZ 2.91Å; K303-D305 WeakPolarHBondContact CA-OD1 3.48Å; K303-D305 PolarHBondContact O-N 3.34Å; K303-I306 HydrophobicContact CB-CD1 4.01Å; K303-I306 HydrophobicContact CB-CG1 3.86Å; K303-I306 HydrophobicContact CD-CD1 3.95Å; K303-I306 HydrophobicContact CG-CD1 4.45Å; K303-I306 VanDerWaalsContact O-CG1 3.23Å; K303-I306 WeakPolarHBondContact O-CG1 3.19Å; K303-I306 PolarHBondContact O-N 2.98Å; K303-A307 PolarHBondContact O-N 3.04Å; K303-V359 PolarHBondContact N-O 3.21Å
304	V	94.1	Very high	93.4	Very high	15 Å²	15	44.6 Å²	44.6	9%	0.091	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-67.2	-19.6	177.6	-58.1	0	0	0	0	112.2	V301 T302 I306 A307 V312 V359	V301-V304 HydrophobicContact CG1-CG1 4.49Å; T302-V304 PolarHBondContact O-N 3.18Å; T302-V304 VanDerWaalsContact O-N 3.11Å; V304-I306 VanDerWaalsContact C-N 3.29Å; V304-I306 PolarHBondContact O-N 3.25Å; V304-A307 PolarHBondContact O-N 3.3Å; V304-V312 HydrophobicContact CB-CG2 4.38Å; V304-V312 HydrophobicContact CG1-CG1 4.26Å; V304-V312 HydrophobicContact CG1-CG2 4.13Å; V304-V359 WeakPolarHBondContact CG2-O 3.33Å
305	D	94.2	Very high	93.7	Very high	62 Å²	62	40.8 Å²	40.8	33%	0.332	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-65	-27.9	174	54.6	-70.7	0	0	0	113.9	K303 S360 T363	K303-D305 WeakPolarHBondContact CA-OD1 3.48Å; K303-D305 PolarHBondContact O-N 3.34Å; D305-S360 WeakPolarHBondContact CB-OG 3.13Å; D305-S360 WeakPolarHBondContact OD1-CB 3.19Å; D305-S360 PolarHBondContact OD1-OG 2.76Å; D305-T363 HydrophobicContact CB-CG2 3.88Å
306	I	92.7	Very high	93.8	Very high	89 Å²	89	40.7 Å²	40.7	46%	0.456	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-106.5	2.4	179	61.3	169.3	0	0	0	113.5	K303 V304	K303-I306 HydrophobicContact CB-CD1 4.01Å; K303-I306 HydrophobicContact CB-CG1 3.86Å; K303-I306 HydrophobicContact CD-CD1 3.95Å; K303-I306 HydrophobicContact CG-CD1 4.45Å; K303-I306 VanDerWaalsContact O-CG1 3.23Å; K303-I306 WeakPolarHBondContact O-CG1 3.19Å; K303-I306 PolarHBondContact O-N 2.98Å; V304-I306 VanDerWaalsContact C-N 3.29Å; V304-I306 PolarHBondContact O-N 3.25Å
307	A	90.6	Very high	93.8	Very high	14 Å²	14	43.3 Å²	43.3	12%	0.116	22%	0.22	C	C	.	.	S	Bend	trans	-114.8	136.8	179.7	0	0	0	0	0	110	P259 K303 V304 V312	P259-A307 HydrophobicContact CB-CB 4.16Å; P259-A307 HydrophobicContact CG-CB 3.7Å; K303-A307 PolarHBondContact O-N 3.04Å; V304-A307 PolarHBondContact O-N 3.3Å; A307-V312 HydrophobicContact CB-CG2 3.87Å
308	T	92.4	Very high	93.7	Very high	83 Å²	83	45.3 Å²	45.3	51%	0.509	23%	0.231	S	C	.	.			trans	-67.6	146.5	172.7	57.2	0	0	0	0	110.1	Q310 I311 V312	T308-Q310 PolarHBondContact O-N 3.45Å; T308-I311 WeakPolarHBondContact O-CB 3.31Å; T308-I311 PolarHBondContact O-N 3.4Å; T308-I311 VanDerWaalsContact OG1-CD1 3.31Å; T308-I311 WeakPolarHBondContact OG1-CD1 3.36Å; T308-I311 VanDerWaalsContact OG1-CG1 3.3Å; T308-I311 WeakPolarHBondContact OG1-CG1 3.43Å; T308-V312 PolarHBondContact O-N 3.31Å
309	Q	92	Very high	93.5	Very high	116 Å²	116	45.3 Å²	45.3	54%	0.542	23%	0.231	S	C	.	.	H	α-helix	trans	-50	-38.7	179.4	-172	58.3	35.8	0	0	113.5	I311 V312 D313	Q309-I311 VanDerWaalsContact C-N 3.31Å; Q309-I311 PolarHBondContact O-N 3.1Å; Q309-V312 PolarHBondContact O-N 3.31Å; Q309-D313 WeakPolarHBondContact CG-OD2 3.48Å; Q309-D313 PolarHBondContact NE2-OD1 2.91Å; Q309-D313 PolarHBondContact NE2-OD2 2.9Å; Q309-D313 PolarHBondContact O-N 3.4Å
310	Q	92.1	Very high	93.3	Very high	164 Å²	164	47.7 Å²	47.7	77%	0.766	24%	0.242	S	C	*	.	H	α-helix	trans	-59.4	-37.3	176.5	-66.3	178.2	-9.1	0	0	113.7	T308 K314	T308-Q310 PolarHBondContact O-N 3.45Å; Q310-K314 VanDerWaalsContact O-CB 3.3Å; Q310-K314 WeakPolarHBondContact O-CB 3.45Å; Q310-K314 PolarHBondContact O-N 3.4Å; Q310-K314 VanDerWaalsContact O-N 3.12Å
311	I	91.7	Very high	92.9	Very high	74 Å²	74	52 Å²	52	38%	0.379	27%	0.265	S	S	.	.	H	α-helix	trans	-72.6	-42.1	177.8	-65.7	170.5	0	0	0	109.4	P259 T308 Q309 K314 V315	P259-I311 HydrophobicContact CB-CG2 4.33Å; T308-I311 WeakPolarHBondContact O-CB 3.31Å; T308-I311 PolarHBondContact O-N 3.4Å; T308-I311 VanDerWaalsContact OG1-CD1 3.31Å; T308-I311 WeakPolarHBondContact OG1-CD1 3.36Å; T308-I311 VanDerWaalsContact OG1-CG1 3.3Å; T308-I311 WeakPolarHBondContact OG1-CG1 3.43Å; Q309-I311 VanDerWaalsContact C-N 3.31Å; Q309-I311 PolarHBondContact O-N 3.1Å; I311-K314 PolarHBondContact O-N 3.13Å; I311-V315 HydrophobicContact CG2-CG2 4.47Å; I311-V315 VanDerWaalsContact O-CG2 3.25Å; I311-V315 WeakPolarHBondContact O-CG2 3.31Å; I311-V315 PolarHBondContact O-N 2.94Å
312	V	93.5	Very high	92.5	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.012	27%	0.267	C	S	.	.	H	α-helix	trans	-60.6	-51.2	177.6	179.3	0	0	0	0	110.1	P259 V304 A307 T308 Q309 K314 V315 V316 T358	P259-V312 HydrophobicContact CB-CG2 4.37Å; V304-V312 HydrophobicContact CB-CG2 4.38Å; V304-V312 HydrophobicContact CG1-CG1 4.26Å; V304-V312 HydrophobicContact CG1-CG2 4.13Å; A307-V312 HydrophobicContact CB-CG2 3.87Å; T308-V312 PolarHBondContact O-N 3.31Å; Q309-V312 PolarHBondContact O-N 3.31Å; V312-K314 VanDerWaalsContact C-N 3.33Å; V312-K314 PolarHBondContact O-N 3.44Å; V312-V315 PolarHBondContact O-N 3.48Å; V312-V316 HydrophobicContact CG1-CG2 4.49Å; V312-V316 VanDerWaalsContact O-CG2 3.31Å; V312-V316 WeakPolarHBondContact O-CG2 3.21Å; V312-V316 PolarHBondContact O-N 2.85Å; V312-T358 HydrophobicContact CG1-CG2 3.68Å
313	D	93.5	Very high	92.2	Very high	59 Å²	59	52.3 Å²	52.3	32%	0.316	27%	0.267	S	S	.	.	H	α-helix	trans	-60	-42.8	179.4	-74.4	-39	0	0	0	112	Q309 V315 V316 D317 R334	Q309-D313 WeakPolarHBondContact CG-OD2 3.48Å; Q309-D313 PolarHBondContact NE2-OD1 2.91Å; Q309-D313 PolarHBondContact NE2-OD2 2.9Å; Q309-D313 PolarHBondContact O-N 3.4Å; D313-V315 PolarHBondContact O-N 2.85Å; D313-V316 PolarHBondContact O-N 3.38Å; D313-D317 VanDerWaalsContact O-CG 3.23Å; D313-D317 PolarHBondContact O-N 2.78Å; D313-R334 IonicContact OD1-NH1 2.64Å; D313-R334 PolarHBondContact OD1-NH1 3.12Å
314	K	91.9	Very high	92.1	Very high	108 Å²	108	57.9 Å²	57.9	47%	0.47	29%	0.292	S	S	.	.	H	α-helix	trans	-59.3	-44.7	175.7	-179.1	-178.2	177	-177.2	0	112.3	Q310 I311 V312 V316 D317 D318	Q310-K314 VanDerWaalsContact O-CB 3.3Å; Q310-K314 WeakPolarHBondContact O-CB 3.45Å; Q310-K314 PolarHBondContact O-N 3.4Å; Q310-K314 VanDerWaalsContact O-N 3.12Å; I311-K314 PolarHBondContact O-N 3.13Å; V312-K314 VanDerWaalsContact C-N 3.33Å; V312-K314 PolarHBondContact O-N 3.44Å; K314-V316 VanDerWaalsContact C-N 3.31Å; K314-V316 PolarHBondContact O-N 3.49Å; K314-D317 WeakPolarHBondContact O-CB 3.24Å; K314-D317 PolarHBondContact O-N 3.12Å; K314-D318 VanDerWaalsContact O-CG 3.29Å; K314-D318 PolarHBondContact O-N 3.15Å
315	V	91.4	Very high	91.6	Very high	9 Å²	9	61.5 Å²	61.5	6%	0.055	31%	0.31	C	S	.	.	H	α-helix	trans	-66.4	-38.1	179.4	171	0	0	0	0	110.7	V257 P259 I311 V312 D313 D318 I319	V257-V315 HydrophobicContact CG1-CG1 4.23Å; P259-V315 HydrophobicContact CB-CG2 4.27Å; P259-V315 WeakPolarHBondContact O-CG2 2.97Å; I311-V315 HydrophobicContact CG2-CG2 4.47Å; I311-V315 VanDerWaalsContact O-CG2 3.25Å; I311-V315 WeakPolarHBondContact O-CG2 3.31Å; I311-V315 PolarHBondContact O-N 2.94Å; V312-V315 PolarHBondContact O-N 3.48Å; D313-V315 PolarHBondContact O-N 2.85Å; V315-D318 PolarHBondContact O-N 3.4Å; V315-I319 HydrophobicContact CG1-CD1 3.87Å; V315-I319 WeakPolarHBondContact O-CD1 3.38Å; V315-I319 WeakPolarHBondContact O-CG1 3.15Å; V315-I319 PolarHBondContact O-N 3.19Å
316	V	94	Very high	90.7	Very high	3 Å²	3	62.8 Å²	62.8	2%	0.018	32%	0.322	C	S	.	.	H	α-helix	trans	-65.8	-41.7	175.2	178.1	0	0	0	0	111	V301 V312 D313 K314 D318 I319 E320 R334 I356 T358	V301-V316 HydrophobicContact CG2-CG2 4.23Å; V312-V316 HydrophobicContact CG1-CG2 4.49Å; V312-V316 VanDerWaalsContact O-CG2 3.31Å; V312-V316 WeakPolarHBondContact O-CG2 3.21Å; V312-V316 PolarHBondContact O-N 2.85Å; D313-V316 PolarHBondContact O-N 3.38Å; K314-V316 VanDerWaalsContact C-N 3.31Å; K314-V316 PolarHBondContact O-N 3.49Å; V316-D318 VanDerWaalsContact C-N 3.33Å; V316-D318 PolarHBondContact O-N 3.36Å; V316-I319 WeakPolarHBondContact O-CB 3.37Å; V316-I319 PolarHBondContact O-N 3.06Å; V316-E320 HydrophobicContact CG1-CG 4.5Å; V316-E320 WeakPolarHBondContact O-CG 3.46Å; V316-E320 PolarHBondContact O-N 2.93Å; V316-R334 HydrophobicContact CG1-CG 3.76Å; V316-R334 VanDerWaalsContact CG1-CZ 3.48Å; V316-R334 VanDerWaalsContact CG1-NE 3.26Å; V316-I356 HydrophobicContact CG1-CD1 3.98Å; V316-I356 HydrophobicContact CG1-CG2 4.29Å; V316-I356 HydrophobicContact CG2-CG2 4.21Å; V316-T358 HydrophobicContact CG2-CG2 4.4Å
317	D	93.1	Very high	89.8	Confident	67 Å²	67	63.1 Å²	63.1	36%	0.358	33%	0.33	S	S	.	.	H	α-helix	trans	-58.8	-44.2	172.6	-67.3	-29.6	0	0	0	111.3	D313 K314 I319 E320 N321 R334	D313-D317 VanDerWaalsContact O-CG 3.23Å; D313-D317 PolarHBondContact O-N 2.78Å; K314-D317 WeakPolarHBondContact O-CB 3.24Å; K314-D317 PolarHBondContact O-N 3.12Å; D317-I319 VanDerWaalsContact C-N 3.32Å; D317-I319 PolarHBondContact O-N 3.36Å; D317-E320 PolarHBondContact O-N 3.01Å; D317-N321 WeakPolarHBondContact O-CB 3.33Å; D317-N321 VanDerWaalsContact O-CG 3.26Å; D317-N321 PolarHBondContact O-N 3.1Å; D317-N321 PolarHBondContact O-ND2 2.81Å; D317-R334 IonicContact OD1-CZ 3.54Å; D317-R334 IonicContact OD1-NH1 2.84Å; D317-R334 IonicContact OD1-NH2 3.36Å; D317-R334 PolarHBondContact OD1-NH2 2.84Å
318	D	90.5	Very high	89.6	Confident	46 Å²	46	63.2 Å²	63.2	25%	0.246	33%	0.327	C	S	.	.	H	α-helix	trans	-61.9	-41.1	177.7	-72.7	-23.5	0	0	0	111.3	K314 V315 V316 N321 A322	K314-D318 VanDerWaalsContact O-CG 3.29Å; K314-D318 PolarHBondContact O-N 3.15Å; V315-D318 PolarHBondContact O-N 3.4Å; V316-D318 VanDerWaalsContact C-N 3.33Å; V316-D318 PolarHBondContact O-N 3.36Å; D318-N321 PolarHBondContact O-N 3.37Å; D318-A322 WeakPolarHBondContact O-CB 3.48Å; D318-A322 PolarHBondContact O-N 3.3Å
319	I	92.2	Very high	89.4	Confident	1 Å²	1	68 Å²	68	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-63.6	-47.5	174.8	-69.8	161.4	0	0	0	111.3	V257 I263 I299 V301 V315 V316 D317 N321 A322 L323 I356	V257-I319 HydrophobicContact CG1-CD1 4.44Å; I263-I319 HydrophobicContact CD1-CB 4.32Å; I263-I319 HydrophobicContact CD1-CG1 3.88Å; I263-I319 HydrophobicContact CG1-CG1 4.12Å; I263-I319 HydrophobicContact CG2-CD1 4.36Å; I263-I319 HydrophobicContact CG2-CG1 3.77Å; I299-I319 HydrophobicContact CD1-CG2 3.36Å; I299-I319 HydrophobicContact CG2-CD1 4.23Å; V301-I319 HydrophobicContact CG2-CD1 4.15Å; V315-I319 HydrophobicContact CG1-CD1 3.87Å; V315-I319 WeakPolarHBondContact O-CD1 3.38Å; V315-I319 WeakPolarHBondContact O-CG1 3.15Å; V315-I319 PolarHBondContact O-N 3.19Å; V316-I319 WeakPolarHBondContact O-CB 3.37Å; V316-I319 PolarHBondContact O-N 3.06Å; D317-I319 VanDerWaalsContact C-N 3.32Å; D317-I319 PolarHBondContact O-N 3.36Å; I319-N321 VanDerWaalsContact C-N 3.32Å; I319-N321 PolarHBondContact O-N 3.35Å; I319-A322 PolarHBondContact O-N 3.35Å; I319-L323 HydrophobicContact CG2-CD1 3.79Å; I319-L323 HydrophobicContact CG2-CG 4.43Å; I319-L323 WeakPolarHBondContact O-CB 3.22Å; I319-L323 WeakPolarHBondContact O-CG 3.41Å; I319-L323 PolarHBondContact O-N 3.21Å; I319-I356 HydrophobicContact CB-CD1 4.33Å; I319-I356 HydrophobicContact CG2-CD1 3.63Å
320	E	93.4	Very high	89.4	Confident	53 Å²	53	65.4 Å²	65.4	25%	0.248	32%	0.322	C	S	.	.	H	α-helix	trans	-58.1	-45.9	177.4	-75.4	173.2	-178.5	0	0	111.1	V316 D317 L323 K324 A332 R334 I356	V316-E320 HydrophobicContact CG1-CG 4.5Å; V316-E320 WeakPolarHBondContact O-CG 3.46Å; V316-E320 PolarHBondContact O-N 2.93Å; D317-E320 PolarHBondContact O-N 3.01Å; E320-L323 PolarHBondContact O-N 3.07Å; E320-K324 WeakPolarHBondContact O-CB 3.38Å; E320-K324 PolarHBondContact O-N 3.1Å; E320-A332 HydrophobicContact CB-CB 4.33Å; E320-A332 HydrophobicContact CG-CB 3.62Å; E320-R334 VanDerWaalsContact CD-NH2 3.3Å; E320-R334 WeakPolarHBondContact OE1-CG 3.35Å; E320-R334 IonicContact OE1-CZ 3.9Å; E320-R334 IonicContact OE1-NE 3.35Å; E320-R334 PolarHBondContact OE1-NE 3.27Å; E320-R334 IonicContact OE1-NH2 3.96Å; E320-R334 PolarHBondContact OE1-NH2 3.3Å; E320-R334 VanDerWaalsContact OE1-NH2 3.16Å; E320-R334 IonicContact OE2-CZ 3.57Å; E320-R334 IonicContact OE2-NE 2.69Å; E320-R334 IonicContact OE2-NH2 3.71Å; E320-R334 PolarHBondContact OE2-NH2 3.42Å; E320-I356 HydrophobicContact CG-CD1 4.24Å
321	N	90.7	Very high	89.4	Confident	90 Å²	90	61.2 Å²	61.2	48%	0.481	31%	0.307	S	S	.	.	H	α-helix	trans	-63.6	-44	177.2	-74.5	-40.8	0	0	0	112.1	D317 D318 I319 N325	D317-N321 WeakPolarHBondContact O-CB 3.33Å; D317-N321 VanDerWaalsContact O-CG 3.26Å; D317-N321 PolarHBondContact O-N 3.1Å; D317-N321 PolarHBondContact O-ND2 2.81Å; D318-N321 PolarHBondContact O-N 3.37Å; I319-N321 VanDerWaalsContact C-N 3.32Å; I319-N321 PolarHBondContact O-N 3.35Å; N321-N325 PolarHBondContact O-N 2.67Å; N321-N325 PolarHBondContact O-ND2 3.03Å
322	A	87.7	Confident	89.5	Confident	6 Å²	6	58.5 Å²	58.5	5%	0.05	30%	0.296	C	S	.	.	H	α-helix	trans	-61.6	-45.7	177.5	0	0	0	0	0	111.7	I263 D318 I319 N325 Y328	I263-A322 HydrophobicContact CD1-CB 3.36Å; D318-A322 WeakPolarHBondContact O-CB 3.48Å; D318-A322 PolarHBondContact O-N 3.3Å; I319-A322 PolarHBondContact O-N 3.35Å; A322-N325 PolarHBondContact O-N 3.26Å; A322-Y328 WeakPolarHBondContact O-CD2 3.27Å
323	L	91.4	Very high	89.6	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-69.7	-33.3	-178.4	-72.8	172.2	0	0	0	113.5	L287 F291 I299 I319 E320 N325 Y328 R329 R330 A332 V354	L287-L323 HydrophobicContact CD1-CD2 4.36Å; L287-L323 HydrophobicContact CD2-CD2 4.14Å; F291-L323 HydrophobicContact CE2-CD2 3.84Å; F291-L323 HydrophobicContact CZ-CD2 3.99Å; I299-L323 HydrophobicContact CD1-CD1 3.85Å; I319-L323 HydrophobicContact CG2-CD1 3.79Å; I319-L323 HydrophobicContact CG2-CG 4.43Å; I319-L323 WeakPolarHBondContact O-CB 3.22Å; I319-L323 WeakPolarHBondContact O-CG 3.41Å; I319-L323 PolarHBondContact O-N 3.21Å; E320-L323 PolarHBondContact O-N 3.07Å; L323-N325 VanDerWaalsContact C-N 3.29Å; L323-N325 PolarHBondContact O-N 3.1Å; L323-Y328 HydrophobicContact CD2-CG 4.37Å; L323-Y328 WeakPolarHBondContact O-CB 3.49Å; L323-R329 PolarHBondContact O-N 3.36Å; L323-R329 VanDerWaalsContact O-N 3.09Å; L323-R330 CarbonylContact C-O 3.56Å; L323-R330 HydrophobicContact CB-CB 4.36Å; L323-R330 PolarHBondContact O-N 2.86Å; L323-A332 HydrophobicContact CD1-CB 3.85Å; L323-V354 HydrophobicContact CD1-CB 3.96Å; L323-V354 HydrophobicContact CD1-CG1 3.72Å; L323-V354 HydrophobicContact CD1-CG2 4.31Å
324	K	90.3	Very high	89.7	Confident	154 Å²	154	60.9 Å²	60.9	67%	0.67	31%	0.305	S	S	*	.	H	α-helix	trans	-65.6	-35.2	177.2	-173.9	177	-179.6	179.7	0	112	E320	E320-K324 WeakPolarHBondContact O-CB 3.38Å; E320-K324 PolarHBondContact O-N 3.1Å
325	N	84.1	Confident	89.9	Confident	91 Å²	91	56 Å²	56	49%	0.487	28%	0.284	S	S	.	.	S	Bend	trans	-77.3	155.6	-177.1	-70.3	-37.3	0	0	0	112.5	N321 A322 L323 Y328 R329	N321-N325 PolarHBondContact O-N 2.67Å; N321-N325 PolarHBondContact O-ND2 3.03Å; A322-N325 PolarHBondContact O-N 3.26Å; L323-N325 VanDerWaalsContact C-N 3.29Å; L323-N325 PolarHBondContact O-N 3.1Å; N325-Y328 PolarHBondContact O-N 2.8Å; N325-R329 PolarHBondContact O-N 3.46Å
326	P	75.6	Confident	89.8	Confident	89 Å²	89	62.4 Å²	62.4	58%	0.578	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	144.1	168.3	-22.4	33.5	0	0	0	111.4
327	P	74.6	Confident	89.6	Confident	96 Å²	96	67 Å²	67	62%	0.623	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	cis	-88.3	-6.8	8.2	34.5	-35.5	0	0	0	115
328	Y	84.8	Confident	89.5	Confident	15 Å²	15	66.4 Å²	66.4	6%	0.059	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-46.7	-168	-50.1	-62.8	0	0	0	113.3	M284 L287 S288 F291 A322 L323 N325 R330	M284-Y328 HydrophobicContact CE-CE2 4.12Å; L287-Y328 HydrophobicContact CD2-CE1 4.34Å; L287-Y328 HydrophobicContact CD2-CE2 4.15Å; L287-Y328 HydrophobicContact CG-CE1 4.07Å; S288-Y328 PolarHBondContact OG-OH 3.36Å; S288-Y328 VanDerWaalsContact OG-OH 3.11Å; F291-Y328 HydrophobicContact CB-CD1 4.15Å; F291-Y328 HydrophobicContact CB-CE1 4.38Å; F291-Y328 HydrophobicContact CD1-CD1 4.44Å; F291-Y328 AromaticContact CD2-CD1 3.2Å; F291-Y328 HydrophobicContact CD2-CD1 3.2Å; F291-Y328 AromaticContact CD2-CE1 3.52Å; F291-Y328 HydrophobicContact CD2-CE1 3.52Å; F291-Y328 HydrophobicContact CD2-CG 4.2Å; F291-Y328 AromaticContact CE2-CD1 3.57Å; F291-Y328 HydrophobicContact CE2-CD1 3.57Å; F291-Y328 HydrophobicContact CE2-CE1 4.11Å; F291-Y328 HydrophobicContact CE2-CG 4.15Å; F291-Y328 AromaticContact CG-CD1 3.69Å; F291-Y328 HydrophobicContact CG-CD1 3.69Å; F291-Y328 HydrophobicContact CG-CE1 4.2Å; F291-Y328 HydrophobicContact CZ-CD1 4.38Å; A322-Y328 WeakPolarHBondContact O-CD2 3.27Å; L323-Y328 HydrophobicContact CD2-CG 4.37Å; L323-Y328 WeakPolarHBondContact O-CB 3.49Å; N325-Y328 PolarHBondContact O-N 2.8Å; Y328-R330 WeakPolarHBondContact O-CD 3.16Å; Y328-R330 WeakPolarHBondContact O-CG 3.44Å; Y328-R330 PolarHBondContact O-N 3.31Å; Y328-R330 PolarHBondContact O-NH1 2.95Å
329	R	88.2	Confident	89.4	Confident	183 Å²	183	69.8 Å²	69.8	69%	0.691	35%	0.35	S	S	*	.			trans	47.9	46.4	-179.2	-58.9	-180	178.9	169.4	0.2	112.5	L323 N325	L323-R329 PolarHBondContact O-N 3.36Å; L323-R329 VanDerWaalsContact O-N 3.09Å; N325-R329 PolarHBondContact O-N 3.46Å
330	R	92	Very high	89.4	Confident	63 Å²	63	72.1 Å²	72.1	24%	0.238	36%	0.363	C	S	.	.			trans	-107.6	156.7	179.9	-61.9	-46.7	-167.3	-118.1	8.8	111.5	F291 L323 Y328 Q351 V354	F291-R330 HydrophobicContact CE1-CG 3.49Å; F291-R330 VanDerWaalsContact CE1-CG 3.49Å; F291-R330 HydrophobicContact CZ-CG 3.6Å; L323-R330 CarbonylContact C-O 3.56Å; L323-R330 HydrophobicContact CB-CB 4.36Å; L323-R330 PolarHBondContact O-N 2.86Å; Y328-R330 WeakPolarHBondContact O-CD 3.16Å; Y328-R330 WeakPolarHBondContact O-CG 3.44Å; Y328-R330 PolarHBondContact O-N 3.31Å; Y328-R330 PolarHBondContact O-NH1 2.95Å; R330-Q351 WeakPolarHBondContact CD-O 3.25Å; R330-Q351 PolarHBondContact NE-O 2.89Å; R330-V354 HydrophobicContact CB-CG2 3.76Å; R330-V354 HydrophobicContact CG-CG2 4.03Å
331	V	93	Very high	89.2	Confident	75 Å²	75	69.6 Å²	69.6	46%	0.455	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	109.5	174.5	-178.3	0	0	0	0	107.7	V333 K352 L353 V354	V331-V333 HydrophobicContact CG1-CG2 4.41Å; V331-K352 PolarHBondContact N-O 3.24Å; V331-L353 HydrophobicContact CB-CD2 4.03Å; V331-L353 HydrophobicContact CG1-CD2 4.29Å; V331-L353 CarbonylContact O-C 3.6Å; V331-L353 WeakPolarHBondContact O-CA 3.34Å; V331-V354 PolarHBondContact O-N 3.48Å
332	A	94.3	Very high	89	Confident	18 Å²	18	70.1 Å²	70.1	15%	0.149	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	143.2	172.1	0	0	0	0	0	110.7	E320 L323 V354 I356	E320-A332 HydrophobicContact CB-CB 4.33Å; E320-A332 HydrophobicContact CG-CB 3.62Å; L323-A332 HydrophobicContact CD1-CB 3.85Å; A332-V354 VanDerWaalsContact CA-O 3.27Å; A332-V354 WeakPolarHBondContact CA-O 3.44Å; A332-I356 HydrophobicContact CB-CD1 3.69Å; A332-I356 HydrophobicContact CB-CG1 4.29Å
333	V	94.6	Very high	88.9	Confident	42 Å²	42	74 Å²	74	26%	0.255	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	120.2	179.8	-175.2	0	0	0	0	108.9	V331 L344 L353 V354 P355 I356	V331-V333 HydrophobicContact CG1-CG2 4.41Å; V333-L344 HydrophobicContact CB-CD1 4.18Å; V333-L344 HydrophobicContact CB-CD2 3.83Å; V333-L344 HydrophobicContact CG1-CD1 3.97Å; V333-L344 HydrophobicContact CG1-CD2 4.07Å; V333-L344 HydrophobicContact CG1-CG 4.42Å; V333-L344 HydrophobicContact CG2-CD2 3.97Å; V333-L353 HydrophobicContact CG2-CD2 4.31Å; V333-V354 PolarHBondContact N-O 3.15Å; V333-P355 CarbonylContact O-C 3.56Å; V333-P355 WeakPolarHBondContact O-CA 3.46Å; V333-I356 PolarHBondContact O-N 2.86Å
334	R	95.9	Very high	88.8	Confident	69 Å²	69	74.1 Å²	74.1	26%	0.26	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	126.8	174.7	-54.3	-173.5	-163.3	-162.1	0.4	109.5	D313 V316 D317 E320	D313-R334 IonicContact OD1-NH1 2.64Å; D313-R334 PolarHBondContact OD1-NH1 3.12Å; V316-R334 HydrophobicContact CG1-CG 3.76Å; V316-R334 VanDerWaalsContact CG1-CZ 3.48Å; V316-R334 VanDerWaalsContact CG1-NE 3.26Å; D317-R334 IonicContact OD1-CZ 3.54Å; D317-R334 IonicContact OD1-NH1 2.84Å; D317-R334 IonicContact OD1-NH2 3.36Å; D317-R334 PolarHBondContact OD1-NH2 2.84Å; E320-R334 VanDerWaalsContact CD-NH2 3.3Å; E320-R334 WeakPolarHBondContact OE1-CG 3.35Å; E320-R334 IonicContact OE1-CZ 3.9Å; E320-R334 IonicContact OE1-NE 3.35Å; E320-R334 PolarHBondContact OE1-NE 3.27Å; E320-R334 IonicContact OE1-NH2 3.96Å; E320-R334 PolarHBondContact OE1-NH2 3.3Å; E320-R334 VanDerWaalsContact OE1-NH2 3.16Å; E320-R334 IonicContact OE2-CZ 3.57Å; E320-R334 IonicContact OE2-NE 2.69Å; E320-R334 IonicContact OE2-NH2 3.71Å; E320-R334 PolarHBondContact OE2-NH2 3.42Å
335	V	95.4	Very high	88.4	Confident	5 Å²	5	66.8 Å²	66.8	3%	0.03	34%	0.341	C	S	.	.			trans	-87.1	118.5	174.4	-173.8	0	0	0	0	108.4	D340 V341 L344 P355 I356 F357	V335-D340 HydrophobicContact CG1-CB 4.12Å; V335-V341 HydrophobicContact CG1-CG2 3.53Å; V335-L344 HydrophobicContact CG2-CD1 3.55Å; V335-P355 HydrophobicContact CG2-CB 4.12Å; V335-I356 PolarHBondContact N-O 2.93Å; V335-F357 HydrophobicContact CB-CD1 3.96Å; V335-F357 HydrophobicContact CB-CE1 3.88Å; V335-F357 HydrophobicContact CB-CG 4.41Å; V335-F357 HydrophobicContact CB-CZ 4.23Å; V335-F357 HydrophobicContact CG1-CD1 4.05Å; V335-F357 HydrophobicContact CG1-CE1 3.61Å; V335-F357 HydrophobicContact CG1-CZ 4.15Å; V335-F357 HydrophobicContact CG2-CD1 4.17Å; V335-F357 HydrophobicContact CG2-CD2 4.21Å; V335-F357 HydrophobicContact CG2-CE1 3.86Å; V335-F357 HydrophobicContact CG2-CE2 3.89Å; V335-F357 HydrophobicContact CG2-CG 4.33Å; V335-F357 HydrophobicContact CG2-CZ 3.68Å
336	K	90	Very high	88.2	Confident	143 Å²	143	67 Å²	67	62%	0.622	35%	0.349	S	S	*	.			trans	-113.8	-40.5	178.1	-63	-177.2	179.5	-177.7	0	111.5	D340 Q369	K336-D340 PolarHBondContact N-OD2 2.93Å; K336-Q369 PolarHBondContact O-NE2 2.87Å
337	N	90.9	Very high	88.6	Confident	99 Å²	99	67 Å²	67	53%	0.529	34%	0.344	S	S	.	.	S	Bend	trans	-129.6	169.3	-173	-61.2	-17.3	0	0	0	111.7	D339 D340 V341	N337-D339 PolarHBondContact O-N 3.3Å; N337-D340 PolarHBondContact N-OD2 3.18Å; N337-D340 VanDerWaalsContact N-OD2 3.08Å; N337-D340 WeakPolarHBondContact O-CB 3.12Å; N337-D340 PolarHBondContact O-N 3.45Å; N337-V341 PolarHBondContact O-N 3.43Å
338	D	89.6	Confident	89.1	Confident	55 Å²	55	62.9 Å²	62.9	29%	0.294	32%	0.317	S	S	.	.	H	α-helix	trans	-61.5	-31.5	177.2	-72.5	-4.9	0	0	0	112.4	D340 V341 F342 K372	D338-D340 VanDerWaalsContact C-N 3.33Å; D338-D340 PolarHBondContact O-N 2.61Å; D338-V341 VanDerWaalsContact O-CB 3.27Å; D338-V341 WeakPolarHBondContact O-CB 3.38Å; D338-V341 PolarHBondContact O-N 2.95Å; D338-V341 VanDerWaalsContact O-N 3.12Å; D338-F342 HydrophobicContact CB-CE2 4.09Å; D338-F342 WeakPolarHBondContact O-CD2 3.43Å; D338-F342 PolarHBondContact O-N 3.48Å; D338-F342 VanDerWaalsContact O-N 3.13Å; D338-K372 IonicContact OD1-NZ 3.73Å; D338-K372 PolarHBondContact OD1-NZ 2.93Å; D338-K372 IonicContact OD2-NZ 3.52Å; D338-K372 PolarHBondContact OD2-NZ 2.6Å
339	D	88.7	Confident	88.7	Confident	117 Å²	117	68 Å²	68	63%	0.626	34%	0.336	S	S	*	.	H	α-helix	trans	-61	-41.1	176.1	-66	-32.4	0	0	0	112.2	N337 V341 F342 V343	N337-D339 PolarHBondContact O-N 3.3Å; D339-V341 VanDerWaalsContact C-N 3.27Å; D339-V341 PolarHBondContact O-N 2.85Å; D339-F342 PolarHBondContact O-N 3.47Å; D339-V343 WeakPolarHBondContact O-CG2 3.41Å; D339-V343 PolarHBondContact O-N 3.34Å; D339-V343 VanDerWaalsContact O-N 3.1Å
340	D	92	Very high	87.8	Confident	50 Å²	50	62 Å²	62	27%	0.267	33%	0.331	S	S	.	.	H	α-helix	trans	-61.9	-40.3	176.2	-59.1	-38.3	0	0	0	110.3	V335 K336 N337 D338 F342 V343 L344	V335-D340 HydrophobicContact CG1-CB 4.12Å; K336-D340 PolarHBondContact N-OD2 2.93Å; N337-D340 PolarHBondContact N-OD2 3.18Å; N337-D340 VanDerWaalsContact N-OD2 3.08Å; N337-D340 WeakPolarHBondContact O-CB 3.12Å; N337-D340 PolarHBondContact O-N 3.45Å; D338-D340 VanDerWaalsContact C-N 3.33Å; D338-D340 PolarHBondContact O-N 2.61Å; D340-F342 PolarHBondContact O-N 3.35Å; D340-V343 PolarHBondContact O-N 2.81Å; D340-L344 VanDerWaalsContact O-CB 3.27Å; D340-L344 WeakPolarHBondContact O-CB 3.11Å; D340-L344 WeakPolarHBondContact O-CD1 3.49Å; D340-L344 VanDerWaalsContact O-CG 3.23Å; D340-L344 WeakPolarHBondContact O-CG 3.28Å; D340-L344 PolarHBondContact O-N 2.91Å
341	V	90.2	Very high	86.9	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-58.5	-47.7	178	172.1	0	0	0	0	110.9	V335 N337 D338 D339 G345 F357 Q369 K372 F373 V376	V335-V341 HydrophobicContact CG1-CG2 3.53Å; N337-V341 PolarHBondContact O-N 3.43Å; D338-V341 VanDerWaalsContact O-CB 3.27Å; D338-V341 WeakPolarHBondContact O-CB 3.38Å; D338-V341 PolarHBondContact O-N 2.95Å; D338-V341 VanDerWaalsContact O-N 3.12Å; D339-V341 VanDerWaalsContact C-N 3.27Å; D339-V341 PolarHBondContact O-N 2.85Å; V341-G345 PolarHBondContact O-N 3.21Å; V341-F357 HydrophobicContact CG2-CE1 4.27Å; V341-Q369 HydrophobicContact CG2-CB 4.14Å; V341-K372 HydrophobicContact CG1-CB 4.1Å; V341-F373 VanDerWaalsContact CG1-CA 3.42Å; V341-F373 HydrophobicContact CG1-CB 3.7Å; V341-F373 HydrophobicContact CG1-CD2 4.23Å; V341-F373 HydrophobicContact CG1-CG 4.49Å; V341-V376 HydrophobicContact CG1-CG2 4.17Å
342	F	85.3	Confident	86.6	Confident	102 Å²	102	64.5 Å²	64.5	45%	0.447	34%	0.338	S	S	.	.	H	α-helix	trans	-68.2	-41.2	-178.8	-66	-65.1	0	0	0	112.8	D338 D339 D340 S346 V376	D338-F342 HydrophobicContact CB-CE2 4.09Å; D338-F342 WeakPolarHBondContact O-CD2 3.43Å; D338-F342 PolarHBondContact O-N 3.48Å; D338-F342 VanDerWaalsContact O-N 3.13Å; D339-F342 PolarHBondContact O-N 3.47Å; D340-F342 PolarHBondContact O-N 3.35Å; F342-S346 PolarHBondContact O-N 3.32Å; F342-S346 VanDerWaalsContact O-N 3.15Å; F342-S346 PolarHBondContact O-OG 3.34Å; F342-V376 HydrophobicContact CD1-CG1 3.88Å; F342-V376 HydrophobicContact CE1-CG1 3.83Å
343	V	86.7	Confident	86.5	Confident	86 Å²	86	65.6 Å²	65.6	52%	0.521	34%	0.341	S	S	.	.	H	α-helix	trans	-64.5	-45	177.4	173.5	0	0	0	0	110.8	D339 D340 N347	D339-V343 WeakPolarHBondContact O-CG2 3.41Å; D339-V343 PolarHBondContact O-N 3.34Å; D339-V343 VanDerWaalsContact O-N 3.1Å; D340-V343 PolarHBondContact O-N 2.81Å; V343-N347 PolarHBondContact O-N 3.46Å; V343-N347 PolarHBondContact O-ND2 2.75Å
344	L	89	Confident	86.5	Confident	5 Å²	5	63.7 Å²	63.7	3%	0.026	33%	0.33	C	S	.	.	H	α-helix	trans	-70.5	-42.1	179.8	-70.7	166.2	0	0	0	111.7	V333 V335 D340 S346 N347 F348 L353 P355 F373	V333-L344 HydrophobicContact CB-CD1 4.18Å; V333-L344 HydrophobicContact CB-CD2 3.83Å; V333-L344 HydrophobicContact CG1-CD1 3.97Å; V333-L344 HydrophobicContact CG1-CD2 4.07Å; V333-L344 HydrophobicContact CG1-CG 4.42Å; V333-L344 HydrophobicContact CG2-CD2 3.97Å; V335-L344 HydrophobicContact CG2-CD1 3.55Å; D340-L344 VanDerWaalsContact O-CB 3.27Å; D340-L344 WeakPolarHBondContact O-CB 3.11Å; D340-L344 WeakPolarHBondContact O-CD1 3.49Å; D340-L344 VanDerWaalsContact O-CG 3.23Å; D340-L344 WeakPolarHBondContact O-CG 3.28Å; D340-L344 PolarHBondContact O-N 2.91Å; L344-S346 VanDerWaalsContact C-N 3.32Å; L344-S346 PolarHBondContact O-N 2.65Å; L344-N347 CarbonylContact O-C 3.54Å; L344-N347 PolarHBondContact O-N 2.92Å; L344-N347 VanDerWaalsContact O-N 3.15Å; L344-F348 WeakPolarHBondContact O-CB 3.49Å; L344-F348 PolarHBondContact O-N 3.25Å; L344-L353 HydrophobicContact CD2-CB 4.13Å; L344-L353 HydrophobicContact CD2-CD1 3.94Å; L344-P355 HydrophobicContact CB-CG 4.14Å; L344-P355 HydrophobicContact CD1-CB 3.98Å; L344-P355 HydrophobicContact CD1-CG 4.19Å; L344-P355 HydrophobicContact CD2-CG 4.22Å; L344-P355 HydrophobicContact CG-CG 4.42Å; L344-F373 HydrophobicContact CB-CE2 4Å
345	G	81.4	Confident	86.6	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-55.8	-47.1	177.5	0	0	0	0	0	111.9	V341 N347 F348 P378	V341-G345 PolarHBondContact O-N 3.21Å; G345-N347 VanDerWaalsContact C-N 3.31Å; G345-N347 PolarHBondContact O-N 2.78Å; G345-F348 PolarHBondContact O-N 2.91Å; G345-P378 WeakPolarHBondContact O-CD 3.45Å
346	S	79.7	Confident	86.7	Confident	95 Å²	95	60.3 Å²	60.3	66%	0.664	32%	0.317	S	S	*	.	H	α-helix	trans	-64.7	-32.6	179.2	-57.9	0	0	0	0	113.3	F342 L344	F342-S346 PolarHBondContact O-N 3.32Å; F342-S346 VanDerWaalsContact O-N 3.15Å; F342-S346 PolarHBondContact O-OG 3.34Å; L344-S346 VanDerWaalsContact C-N 3.32Å; L344-S346 PolarHBondContact O-N 2.65Å
347	N	83.6	Confident	87.1	Confident	88 Å²	88	53.5 Å²	53.5	47%	0.471	29%	0.287	S	S	.	.	H	α-helix	trans	-99.9	-2.1	-175.2	-70	-59.5	0	0	0	114.4	V343 L344 G345 R349 G350 L353	V343-N347 PolarHBondContact O-N 3.46Å; V343-N347 PolarHBondContact O-ND2 2.75Å; L344-N347 CarbonylContact O-C 3.54Å; L344-N347 PolarHBondContact O-N 2.92Å; L344-N347 VanDerWaalsContact O-N 3.15Å; G345-N347 VanDerWaalsContact C-N 3.31Å; G345-N347 PolarHBondContact O-N 2.78Å; N347-R349 VanDerWaalsContact C-N 3.3Å; N347-R349 PolarHBondContact O-N 2.81Å; N347-G350 PolarHBondContact O-N 3.26Å; N347-L353 HydrophobicContact CB-CD1 3.81Å
348	F	85.2	Confident	87.4	Confident	10 Å²	10	50.5 Å²	50.5	4%	0.044	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-63.1	-31.9	-171.1	-171.1	-113	0	0	0	113.8	F252 P296 F298 L344 G345 G350 Q351 P355 F373 L377	F252-F348 HydrophobicContact CB-CE1 3.7Å; F252-F348 HydrophobicContact CB-CZ 4.07Å; F252-F348 HydrophobicContact CG-CE1 4.25Å; P296-F348 HydrophobicContact CB-CD1 4.33Å; P296-F348 HydrophobicContact CB-CE1 3.58Å; P296-F348 HydrophobicContact CB-CE2 4.38Å; P296-F348 HydrophobicContact CB-CZ 3.61Å; P296-F348 HydrophobicContact CG-CE1 4.49Å; F298-F348 HydrophobicContact CB-CE2 4.08Å; F298-F348 HydrophobicContact CB-CZ 4.4Å; F298-F348 HydrophobicContact CD1-CE2 4.38Å; F298-F348 AromaticContact CD1-CZ 3.95Å; F298-F348 HydrophobicContact CD1-CZ 3.95Å; L344-F348 WeakPolarHBondContact O-CB 3.49Å; L344-F348 PolarHBondContact O-N 3.25Å; G345-F348 PolarHBondContact O-N 2.91Å; F348-G350 PolarHBondContact O-N 2.9Å; F348-G350 VanDerWaalsContact O-N 3.11Å; F348-Q351 PolarHBondContact O-N 3.19Å; F348-P355 HydrophobicContact CD2-CG 4.08Å; F348-P355 HydrophobicContact CE2-CG 4.22Å; F348-F373 AromaticContact CD2-CZ 3.99Å; F348-F373 HydrophobicContact CD2-CZ 3.99Å; F348-F373 HydrophobicContact CE2-CZ 4.33Å; F348-F373 HydrophobicContact CG-CZ 4.22Å; F348-L377 HydrophobicContact CB-CD2 3.89Å; F348-L377 HydrophobicContact CD1-CD2 3.31Å; F348-L377 HydrophobicContact CE1-CD2 3.91Å; F348-L377 HydrophobicContact CG-CD2 3.67Å
349	R	76.3	Confident	87.7	Confident	122 Å²	122	47.9 Å²	47.9	46%	0.46	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-55.9	-30.5	177.9	-79.9	-177	-179	150.9	-4.5	113.6	N347 Q351 P378 P379	N347-R349 VanDerWaalsContact C-N 3.3Å; N347-R349 PolarHBondContact O-N 2.81Å; R349-Q351 PolarHBondContact O-N 3.32Å; R349-Q351 VanDerWaalsContact O-N 3.12Å; R349-P378 HydrophobicContact CG-CG 3.74Å; R349-P379 PolarHBondContact NE-O 2.86Å; R349-P379 PolarHBondContact NH2-O 3.08Å
350	G	70	Confident	88.1	Confident	57 Å²	57	42.3 Å²	42.3	59%	0.588	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-69.4	-5.6	-175.9	0	0	0	0	0	114.5	N347 F348 K352	N347-G350 PolarHBondContact O-N 3.26Å; F348-G350 PolarHBondContact O-N 2.9Å; F348-G350 VanDerWaalsContact O-N 3.11Å; G350-K352 PolarHBondContact O-N 2.91Å
351	Q	73.9	Confident	88.3	Confident	51 Å²	51	40.3 Å²	40.3	24%	0.238	22%	0.218	C	C	.	.	S	Bend	trans	54.5	0.9	-177.1	-59.4	-171.5	1.3	0	0	115.8	E294 P296 R330 F348 R349	E294-Q351 PolarHBondContact O-NE2 3.22Å; P296-Q351 HydrophobicContact CB-CG 4.27Å; P296-Q351 HydrophobicContact CG-CG 3.92Å; R330-Q351 WeakPolarHBondContact CD-O 3.25Å; R330-Q351 PolarHBondContact NE-O 2.89Å; F348-Q351 PolarHBondContact O-N 3.19Å; R349-Q351 PolarHBondContact O-N 3.32Å; R349-Q351 VanDerWaalsContact O-N 3.12Å
352	K	86.2	Confident	88.6	Confident	140 Å²	140	42.8 Å²	42.8	61%	0.609	23%	0.233	S	C	*	.			trans	-80.5	-36.5	-177.1	-172.2	177.7	180	-177.6	0	112.1	V331 G350	V331-K352 PolarHBondContact N-O 3.24Å; G350-K352 PolarHBondContact O-N 2.91Å
353	L	91.7	Very high	89.2	Confident	41 Å²	41	41.9 Å²	41.9	22%	0.215	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	135.4	179.9	-56.9	-178.4	0	0	0	110	V331 V333 L344 N347	V331-L353 HydrophobicContact CB-CD2 4.03Å; V331-L353 HydrophobicContact CG1-CD2 4.29Å; V331-L353 CarbonylContact O-C 3.6Å; V331-L353 WeakPolarHBondContact O-CA 3.34Å; V333-L353 HydrophobicContact CG2-CD2 4.31Å; L344-L353 HydrophobicContact CD2-CB 4.13Å; L344-L353 HydrophobicContact CD2-CD1 3.94Å; N347-L353 HydrophobicContact CB-CD1 3.81Å
354	V	95.1	Very high	89.5	Confident	2 Å²	2	39 Å²	39	1%	0.012	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	99.5	175.1	178.2	0	0	0	0	108.2	F291 I299 L323 R330 V331 A332 V333	F291-V354 HydrophobicContact CZ-CG2 4.26Å; I299-V354 HydrophobicContact CD1-CG1 3.89Å; I299-V354 HydrophobicContact CG1-CG1 3.91Å; L323-V354 HydrophobicContact CD1-CB 3.96Å; L323-V354 HydrophobicContact CD1-CG1 3.72Å; L323-V354 HydrophobicContact CD1-CG2 4.31Å; R330-V354 HydrophobicContact CB-CG2 3.76Å; R330-V354 HydrophobicContact CG-CG2 4.03Å; V331-V354 PolarHBondContact O-N 3.48Å; A332-V354 VanDerWaalsContact CA-O 3.27Å; A332-V354 WeakPolarHBondContact CA-O 3.44Å; V333-V354 PolarHBondContact N-O 3.15Å
355	P	97.1	Very high	89.9	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	140.3	174.7	-21.8	32.3	0	0	0	111.4	F298 I299 V333 V335 L344 F348 F357 F373	F298-P355 HydrophobicContact CB-CB 3.96Å; F298-P355 HydrophobicContact CB-CG 4Å; I299-P355 PolarHBondContact N-O 3.11Å; V333-P355 CarbonylContact O-C 3.56Å; V333-P355 WeakPolarHBondContact O-CA 3.46Å; V335-P355 HydrophobicContact CG2-CB 4.12Å; L344-P355 HydrophobicContact CB-CG 4.14Å; L344-P355 HydrophobicContact CD1-CB 3.98Å; L344-P355 HydrophobicContact CD1-CG 4.19Å; L344-P355 HydrophobicContact CD2-CG 4.22Å; L344-P355 HydrophobicContact CG-CG 4.42Å; F348-P355 HydrophobicContact CD2-CG 4.08Å; F348-P355 HydrophobicContact CE2-CG 4.22Å; P355-F357 HydrophobicContact CB-CD2 4.34Å; P355-F357 HydrophobicContact CB-CE2 3.74Å; P355-F373 HydrophobicContact CB-CZ 4.38Å; P355-F373 HydrophobicContact CG-CE2 4.08Å; P355-F373 HydrophobicContact CG-CZ 3.74Å
356	I	97.6	Very high	90.4	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.015	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	114.5	172.7	-54.3	-178.7	0	0	0	108.4	I299 V301 V316 I319 E320 A332 V333 V335	I299-I356 HydrophobicContact CB-CG1 4.26Å; I299-I356 HydrophobicContact CG2-CG2 4.45Å; I299-I356 WeakPolarHBondContact O-CA 3.26Å; V301-I356 HydrophobicContact CG2-CG2 4.08Å; V316-I356 HydrophobicContact CG1-CD1 3.98Å; V316-I356 HydrophobicContact CG1-CG2 4.29Å; V316-I356 HydrophobicContact CG2-CG2 4.21Å; I319-I356 HydrophobicContact CB-CD1 4.33Å; I319-I356 HydrophobicContact CG2-CD1 3.63Å; E320-I356 HydrophobicContact CG-CD1 4.24Å; A332-I356 HydrophobicContact CB-CD1 3.69Å; A332-I356 HydrophobicContact CB-CG1 4.29Å; V333-I356 PolarHBondContact O-N 2.86Å; V335-I356 PolarHBondContact N-O 2.93Å
357	F	98.1	Very high	91.2	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	134.9	173.2	-66.5	-96.4	0	0	0	109.7	F298 I299 V300 V301 V335 V341 P355 V359 Q369 L370 F373	F298-F357 HydrophobicContact CD2-CD2 4.08Å; F298-F357 HydrophobicContact CD2-CE2 4.19Å; I299-F357 PolarHBondContact O-N 2.82Å; V300-F357 CarbonylContact C-O 3.58Å; V300-F357 WeakPolarHBondContact CA-O 3.27Å; V300-F357 HydrophobicContact CG2-CB 4.36Å; V301-F357 PolarHBondContact N-O 2.78Å; V335-F357 HydrophobicContact CB-CD1 3.96Å; V335-F357 HydrophobicContact CB-CE1 3.88Å; V335-F357 HydrophobicContact CB-CG 4.41Å; V335-F357 HydrophobicContact CB-CZ 4.23Å; V335-F357 HydrophobicContact CG1-CD1 4.05Å; V335-F357 HydrophobicContact CG1-CE1 3.61Å; V335-F357 HydrophobicContact CG1-CZ 4.15Å; V335-F357 HydrophobicContact CG2-CD1 4.17Å; V335-F357 HydrophobicContact CG2-CD2 4.21Å; V335-F357 HydrophobicContact CG2-CE1 3.86Å; V335-F357 HydrophobicContact CG2-CE2 3.89Å; V335-F357 HydrophobicContact CG2-CG 4.33Å; V335-F357 HydrophobicContact CG2-CZ 3.68Å; V341-F357 HydrophobicContact CG2-CE1 4.27Å; P355-F357 HydrophobicContact CB-CD2 4.34Å; P355-F357 HydrophobicContact CB-CE2 3.74Å; F357-V359 HydrophobicContact CB-CG1 4.11Å; F357-Q369 HydrophobicContact CE1-CB 4.44Å; F357-L370 HydrophobicContact CD1-CB 4.25Å; F357-L370 HydrophobicContact CD1-CD1 4.42Å; F357-L370 HydrophobicContact CD2-CD1 4.21Å; F357-L370 HydrophobicContact CE2-CD1 4.37Å; F357-L370 HydrophobicContact CG-CD1 4.25Å; F357-F373 HydrophobicContact CE1-CB 4.01Å; F357-F373 HydrophobicContact CE1-CG 4.41Å; F357-F373 HydrophobicContact CE2-CB 4.37Å; F357-F373 AromaticContact CE2-CD1 3.75Å; F357-F373 HydrophobicContact CE2-CD1 3.75Å; F357-F373 HydrophobicContact CE2-CD2 4.45Å; F357-F373 HydrophobicContact CE2-CE1 4.12Å; F357-F373 AromaticContact CE2-CG 3.94Å; F357-F373 HydrophobicContact CE2-CG 3.94Å; F357-F373 HydrophobicContact CZ-CB 3.47Å; F357-F373 VanDerWaalsContact CZ-CB 3.47Å; F357-F373 AromaticContact CZ-CD1 3.7Å; F357-F373 HydrophobicContact CZ-CD1 3.7Å; F357-F373 AromaticContact CZ-CD2 3.91Å; F357-F373 HydrophobicContact CZ-CD2 3.91Å; F357-F373 HydrophobicContact CZ-CE1 4.41Å; F357-F373 AromaticContact CZ-CG 3.4Å; F357-F373 HydrophobicContact CZ-CG 3.4Å; F357-F373 VanDerWaalsContact CZ-CG 3.4Å
358	T	97.4	Very high	91.6	Very high	36 Å²	36	41.2 Å²	41.2	22%	0.221	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	116.8	167.6	46.7	0	0	0	0	108.1	V301 V312 V316 S366	V301-T358 HydrophobicContact CB-CG2 4.22Å; V301-T358 WeakPolarHBondContact O-CA 3.34Å; V312-T358 HydrophobicContact CG1-CG2 3.68Å; V316-T358 HydrophobicContact CG2-CG2 4.4Å; T358-S366 WeakPolarHBondContact O-CB 3.32Å; T358-S366 PolarHBondContact O-OG 3.39Å
359	V	97.3	Very high	92	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.228	C	C	.	.			trans	-131.6	154.3	-174	-52.5	0	0	0	0	112	V300 V301 T302 K303 V304 F357 E365 I367 L370	V300-V359 HydrophobicContact CG1-CB 4.31Å; V300-V359 HydrophobicContact CG1-CG1 4Å; V300-V359 HydrophobicContact CG1-CG2 3.32Å; V301-V359 PolarHBondContact O-N 3.12Å; T302-V359 CarbonylContact C-O 3.49Å; T302-V359 VanDerWaalsContact CA-O 3.28Å; T302-V359 WeakPolarHBondContact CA-O 3.37Å; T302-V359 HydrophobicContact CG2-CG2 3.91Å; K303-V359 PolarHBondContact N-O 3.21Å; V304-V359 WeakPolarHBondContact CG2-O 3.33Å; F357-V359 HydrophobicContact CB-CG1 4.11Å; V359-E365 VanDerWaalsContact CA-O 3.28Å; V359-E365 WeakPolarHBondContact CA-O 3.42Å; V359-E365 WeakPolarHBondContact CB-O 3.39Å; V359-I367 HydrophobicContact CB-CD1 3.88Å; V359-I367 HydrophobicContact CG1-CD1 4.31Å; V359-I367 HydrophobicContact CG2-CD1 4.19Å; V359-L370 HydrophobicContact CG1-CD2 4.48Å
360	S	97.3	Very high	93	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.207	C	C	.	.			trans	-120.1	125.8	164.4	177.4	0	0	0	0	110.3	D305 V362 T363 G364 E365	D305-S360 WeakPolarHBondContact CB-OG 3.13Å; D305-S360 WeakPolarHBondContact OD1-CB 3.19Å; D305-S360 PolarHBondContact OD1-OG 2.76Å; S360-V362 PolarHBondContact O-N 2.9Å; S360-V362 PolarHBondContact OG-N 3.03Å; S360-V362 VanDerWaalsContact OG-N 3.1Å; S360-T363 WeakPolarHBondContact CB-OG1 3.5Å; S360-T363 PolarHBondContact OG-N 3.46Å; S360-T363 VanDerWaalsContact OG-N 3.07Å; S360-T363 PolarHBondContact OG-OG1 2.79Å; S360-G364 VanDerWaalsContact O-CA 3.31Å; S360-G364 WeakPolarHBondContact O-CA 3.39Å; S360-G364 PolarHBondContact O-N 2.91Å; S360-E365 PolarHBondContact N-O 2.85Å
361	N	96.3	Very high	94.1	Very high	8 Å²	8	34.5 Å²	34.5	4%	0.043	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-14.9	172.6	-65.1	-31.4	0	0	0	112.3	T158 L159 V162 D169	T158-N361 HydrophobicContact CG2-CB 4.12Å; L159-N361 VanDerWaalsContact CD1-OD1 3.26Å; L159-N361 WeakPolarHBondContact CD1-OD1 3.41Å; V162-N361 HydrophobicContact CG2-CB 4Å; D169-N361 HydrophobicContact CB-CB 4.17Å; D169-N361 PolarHBondContact N-O 2.84Å
362	V	96.6	Very high	95	Very high	53 Å²	53	34.7 Å²	34.7	32%	0.321	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-48.3	-176.8	-178.2	0	0	0	0	111.1	S360	S360-V362 PolarHBondContact O-N 2.9Å; S360-V362 PolarHBondContact OG-N 3.03Å; S360-V362 VanDerWaalsContact OG-N 3.1Å
363	T	96.3	Very high	95.3	Very high	83 Å²	83	28 Å²	28	51%	0.509	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-18	180	67.4	0	0	0	0	112.7	D305 S360 E365	D305-T363 HydrophobicContact CB-CG2 3.88Å; S360-T363 WeakPolarHBondContact CB-OG1 3.5Å; S360-T363 PolarHBondContact OG-N 3.46Å; S360-T363 VanDerWaalsContact OG-N 3.07Å; S360-T363 PolarHBondContact OG-OG1 2.79Å; T363-E365 VanDerWaalsContact C-N 3.28Å; T363-E365 WeakPolarHBondContact OG1-CB 3.34Å; T363-E365 PolarHBondContact OG1-N 3.38Å
364	G	94.1	Very high	95.3	Very high	24 Å²	24	26.1 Å²	26.1	25%	0.247	14%	0.144	C	C	.	.			trans	81.1	5.3	-174.1	0	0	0	0	0	114.1	S360 S366 I367	S360-G364 VanDerWaalsContact O-CA 3.31Å; S360-G364 WeakPolarHBondContact O-CA 3.39Å; S360-G364 PolarHBondContact O-N 2.91Å; G364-S366 PolarHBondContact O-N 3.24Å; G364-I367 PolarHBondContact O-N 3.2Å
365	E	95.9	Very high	95	Very high	85 Å²	85	29.1 Å²	29.1	40%	0.397	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	127	178.8	-174.7	179.4	157.4	0	0	111.5	V359 S360 T363 I367	V359-E365 VanDerWaalsContact CA-O 3.28Å; V359-E365 WeakPolarHBondContact CA-O 3.42Å; V359-E365 WeakPolarHBondContact CB-O 3.39Å; S360-E365 PolarHBondContact N-O 2.85Å; T363-E365 VanDerWaalsContact C-N 3.28Å; T363-E365 WeakPolarHBondContact OG1-CB 3.34Å; T363-E365 PolarHBondContact OG1-N 3.38Å; E365-I367 PolarHBondContact O-N 3.11Å
366	S	94	Very high	94.5	Very high	29 Å²	29	31.1 Å²	31.1	20%	0.203	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	7.6	177.6	-50.4	0	0	0	0	116.7	T358 G364 E368 Q369 L370	T358-S366 WeakPolarHBondContact O-CB 3.32Å; T358-S366 PolarHBondContact O-OG 3.39Å; G364-S366 PolarHBondContact O-N 3.24Å; S366-E368 PolarHBondContact O-N 3.49Å; S366-Q369 PolarHBondContact O-N 2.97Å; S366-L370 PolarHBondContact O-N 3.28Å
367	I	95.5	Very high	94	Very high	9 Å²	9	31.2 Å²	31.2	5%	0.046	17%	0.168	C	C	.	.	H	α-helix	trans	-62.5	-35.4	175.4	-64.3	-65.7	0	0	0	110.8	L159 L163 V359 G364 E365 L370 L371	L159-I367 HydrophobicContact CD1-CD1 3.85Å; L163-I367 HydrophobicContact CD2-CG2 4.26Å; V359-I367 HydrophobicContact CB-CD1 3.88Å; V359-I367 HydrophobicContact CG1-CD1 4.31Å; V359-I367 HydrophobicContact CG2-CD1 4.19Å; G364-I367 PolarHBondContact O-N 3.2Å; E365-I367 PolarHBondContact O-N 3.11Å; I367-L370 PolarHBondContact O-N 3.5Å; I367-L371 HydrophobicContact CG2-CD1 4.27Å; I367-L371 WeakPolarHBondContact O-CG 3.22Å; I367-L371 PolarHBondContact O-N 2.88Å
368	E	92.3	Very high	93.1	Very high	112 Å²	112	32.6 Å²	32.6	52%	0.523	18%	0.177	S	C	.	.	H	α-helix	trans	-65.5	-41.9	176.3	-168.3	-174.9	145.8	0	0	112.3	S366 L370 L371 K372	S366-E368 PolarHBondContact O-N 3.49Å; E368-L370 VanDerWaalsContact C-N 3.31Å; E368-L370 PolarHBondContact O-N 3.39Å; E368-L371 PolarHBondContact O-N 3.34Å; E368-K372 WeakPolarHBondContact O-CG 3.46Å; E368-K372 PolarHBondContact O-N 2.74Å; E368-K372 WeakPolarHBondContact OE1-CE 3.36Å; E368-K372 IonicContact OE1-NZ 3.48Å; E368-K372 PolarHBondContact OE1-NZ 2.65Å
369	Q	93.6	Very high	92	Very high	30 Å²	30	33.9 Å²	33.9	14%	0.14	19%	0.186	C	C	.	.	H	α-helix	trans	-63.3	-39.6	175.6	-68.6	176.9	-20.3	0	0	111.3	K336 V341 F357 S366 K372 F373	K336-Q369 PolarHBondContact O-NE2 2.87Å; V341-Q369 HydrophobicContact CG2-CB 4.14Å; F357-Q369 HydrophobicContact CE1-CB 4.44Å; S366-Q369 PolarHBondContact O-N 2.97Å; Q369-K372 PolarHBondContact O-N 2.76Å; Q369-F373 WeakPolarHBondContact O-CB 3.11Å; Q369-F373 PolarHBondContact O-N 3.16Å
370	L	96	Very high	90.8	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-62.6	-43	173.7	178.3	60.5	0	0	0	111.6	L159 L163 F298 V300 F357 V359 S366 I367 E368 F373 L374	L159-L370 HydrophobicContact CD1-CD2 4.11Å; L159-L370 HydrophobicContact CD2-CD2 4.41Å; L163-L370 HydrophobicContact CD1-CD2 4.45Å; L163-L370 HydrophobicContact CD2-CD2 4.5Å; F298-L370 HydrophobicContact CE2-CD1 3.63Å; F298-L370 HydrophobicContact CZ-CD1 4.15Å; V300-L370 HydrophobicContact CG2-CD1 4.26Å; V300-L370 HydrophobicContact CG2-CD2 4.38Å; F357-L370 HydrophobicContact CD1-CB 4.25Å; F357-L370 HydrophobicContact CD1-CD1 4.42Å; F357-L370 HydrophobicContact CD2-CD1 4.21Å; F357-L370 HydrophobicContact CE2-CD1 4.37Å; F357-L370 HydrophobicContact CG-CD1 4.25Å; V359-L370 HydrophobicContact CG1-CD2 4.48Å; S366-L370 PolarHBondContact O-N 3.28Å; I367-L370 PolarHBondContact O-N 3.5Å; E368-L370 VanDerWaalsContact C-N 3.31Å; E368-L370 PolarHBondContact O-N 3.39Å; L370-F373 WeakPolarHBondContact O-CB 3.3Å; L370-F373 PolarHBondContact O-N 2.97Å; L370-L374 HydrophobicContact CD1-CG 4.49Å; L370-L374 HydrophobicContact CG-CD1 4.34Å; L370-L374 WeakPolarHBondContact O-CB 3.23Å; L370-L374 VanDerWaalsContact O-CG 3.25Å; L370-L374 WeakPolarHBondContact O-CG 3.12Å; L370-L374 PolarHBondContact O-N 2.76Å
371	L	94.1	Very high	89.5	Confident	17 Å²	17	40.8 Å²	40.8	9%	0.089	22%	0.216	C	C	.	.	H	α-helix	trans	-64.2	-44.3	175.4	-75.1	171	0	0	0	112.2	L163 V199 F201 A207 I367 E368 F373 L374 Y375	L163-L371 HydrophobicContact CD2-CD2 3.76Å; L163-L371 HydrophobicContact CD2-CG 4.1Å; V199-L371 HydrophobicContact CG1-CD2 4.14Å; F201-L371 HydrophobicContact CE1-CB 4.27Å; F201-L371 HydrophobicContact CE1-CD2 4.07Å; F201-L371 WeakPolarHBondContact CE1-O 3.49Å; F201-L371 HydrophobicContact CZ-CD2 4.03Å; A207-L371 HydrophobicContact CB-CD1 4.17Å; A207-L371 HydrophobicContact CB-CD2 4.12Å; I367-L371 HydrophobicContact CG2-CD1 4.27Å; I367-L371 WeakPolarHBondContact O-CG 3.22Å; I367-L371 PolarHBondContact O-N 2.88Å; E368-L371 PolarHBondContact O-N 3.34Å; L371-F373 VanDerWaalsContact C-N 3.31Å; L371-F373 PolarHBondContact O-N 3.37Å; L371-L374 HydrophobicContact CD2-CD1 4.49Å; L371-L374 WeakPolarHBondContact O-CB 3.45Å; L371-L374 PolarHBondContact O-N 3.23Å; L371-Y375 PolarHBondContact O-N 3.22Å
372	K	91.7	Very high	88.2	Confident	55 Å²	55	43.3 Å²	43.3	24%	0.239	23%	0.231	C	C	.	.	H	α-helix	trans	-58.2	-44.3	173.7	-73.9	173.5	-176.8	163.5	0	111	D338 V341 E368 Q369 Y375 V376	D338-K372 IonicContact OD1-NZ 3.73Å; D338-K372 PolarHBondContact OD1-NZ 2.93Å; D338-K372 IonicContact OD2-NZ 3.52Å; D338-K372 PolarHBondContact OD2-NZ 2.6Å; V341-K372 HydrophobicContact CG1-CB 4.1Å; E368-K372 WeakPolarHBondContact O-CG 3.46Å; E368-K372 PolarHBondContact O-N 2.74Å; E368-K372 WeakPolarHBondContact OE1-CE 3.36Å; E368-K372 IonicContact OE1-NZ 3.48Å; E368-K372 PolarHBondContact OE1-NZ 2.65Å; Q369-K372 PolarHBondContact O-N 2.76Å; K372-Y375 WeakPolarHBondContact O-CB 3.33Å; K372-Y375 PolarHBondContact O-N 2.7Å; K372-V376 WeakPolarHBondContact O-CG2 3.27Å; K372-V376 PolarHBondContact O-N 3.02Å
373	F	93.1	Very high	86.8	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59.2	-51	176.3	-179.6	-108	0	0	0	111.6	F298 V341 L344 F348 P355 F357 Q369 L370 L371 Y375 V376 L377	F298-F373 HydrophobicContact CB-CE1 4.4Å; F298-F373 AromaticContact CD1-CE1 3.73Å; F298-F373 HydrophobicContact CD1-CE1 3.73Å; F298-F373 HydrophobicContact CD2-CE1 4.41Å; F298-F373 HydrophobicContact CE1-CD1 4.48Å; F298-F373 AromaticContact CE1-CE1 3.94Å; F298-F373 HydrophobicContact CE1-CE1 3.94Å; F298-F373 AromaticContact CG-CE1 3.96Å; F298-F373 HydrophobicContact CG-CE1 3.96Å; F298-F373 HydrophobicContact CZ-CE1 4.38Å; V341-F373 VanDerWaalsContact CG1-CA 3.42Å; V341-F373 HydrophobicContact CG1-CB 3.7Å; V341-F373 HydrophobicContact CG1-CD2 4.23Å; V341-F373 HydrophobicContact CG1-CG 4.49Å; L344-F373 HydrophobicContact CB-CE2 4Å; F348-F373 AromaticContact CD2-CZ 3.99Å; F348-F373 HydrophobicContact CD2-CZ 3.99Å; F348-F373 HydrophobicContact CE2-CZ 4.33Å; F348-F373 HydrophobicContact CG-CZ 4.22Å; P355-F373 HydrophobicContact CB-CZ 4.38Å; P355-F373 HydrophobicContact CG-CE2 4.08Å; P355-F373 HydrophobicContact CG-CZ 3.74Å; F357-F373 HydrophobicContact CE1-CB 4.01Å; F357-F373 HydrophobicContact CE1-CG 4.41Å; F357-F373 HydrophobicContact CE2-CB 4.37Å; F357-F373 AromaticContact CE2-CD1 3.75Å; F357-F373 HydrophobicContact CE2-CD1 3.75Å; F357-F373 HydrophobicContact CE2-CD2 4.45Å; F357-F373 HydrophobicContact CE2-CE1 4.12Å; F357-F373 AromaticContact CE2-CG 3.94Å; F357-F373 HydrophobicContact CE2-CG 3.94Å; F357-F373 HydrophobicContact CZ-CB 3.47Å; F357-F373 VanDerWaalsContact CZ-CB 3.47Å; F357-F373 AromaticContact CZ-CD1 3.7Å; F357-F373 HydrophobicContact CZ-CD1 3.7Å; F357-F373 AromaticContact CZ-CD2 3.91Å; F357-F373 HydrophobicContact CZ-CD2 3.91Å; F357-F373 HydrophobicContact CZ-CE1 4.41Å; F357-F373 AromaticContact CZ-CG 3.4Å; F357-F373 HydrophobicContact CZ-CG 3.4Å; F357-F373 VanDerWaalsContact CZ-CG 3.4Å; Q369-F373 WeakPolarHBondContact O-CB 3.11Å; Q369-F373 PolarHBondContact O-N 3.16Å; L370-F373 WeakPolarHBondContact O-CB 3.3Å; L370-F373 PolarHBondContact O-N 2.97Å; L371-F373 VanDerWaalsContact C-N 3.31Å; L371-F373 PolarHBondContact O-N 3.37Å; F373-Y375 PolarHBondContact O-N 3.4Å; F373-V376 VanDerWaalsContact O-CG2 3.24Å; F373-V376 WeakPolarHBondContact O-CG2 3.36Å; F373-V376 PolarHBondContact O-N 2.77Å; F373-V376 VanDerWaalsContact O-N 3.15Å; F373-L377 HydrophobicContact CD1-CD1 4.36Å; F373-L377 HydrophobicContact CD1-CD2 4.49Å; F373-L377 HydrophobicContact CD1-CG 4.32Å; F373-L377 HydrophobicContact CE1-CD1 4Å; F373-L377 HydrophobicContact CE1-CD2 3.77Å; F373-L377 HydrophobicContact CE1-CG 4.01Å; F373-L377 HydrophobicContact CE2-CD2 4.05Å; F373-L377 HydrophobicContact CZ-CD2 3.5Å; F373-L377 HydrophobicContact CZ-CG 4.19Å; F373-L377 WeakPolarHBondContact O-CG 3.21Å; F373-L377 PolarHBondContact O-N 3.14Å
374	L	92.6	Very high	85.4	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-55.3	-40.2	176.1	-74.4	171.5	0	0	0	111.8	L163 F201 K224 I226 F228 F252 F298 L370 L371 L377	L163-L374 HydrophobicContact CD1-CD1 4.46Å; F201-L374 HydrophobicContact CE2-CB 4.24Å; F201-L374 HydrophobicContact CZ-CB 3.82Å; K224-L374 PolarHBondContact NZ-O 3.38Å; I226-L374 HydrophobicContact CD1-CB 3.77Å; I226-L374 HydrophobicContact CD1-CD2 4.02Å; I226-L374 HydrophobicContact CD1-CG 4.43Å; I226-L374 WeakPolarHBondContact CD1-O 3.35Å; F228-L374 HydrophobicContact CE2-CD1 4.45Å; F228-L374 HydrophobicContact CZ-CD1 3.74Å; F228-L374 HydrophobicContact CZ-CD2 3.86Å; F228-L374 HydrophobicContact CZ-CG 4.46Å; F252-L374 HydrophobicContact CE2-CD2 3.92Å; F252-L374 HydrophobicContact CZ-CD2 4.03Å; F298-L374 HydrophobicContact CE1-CD2 4.39Å; F298-L374 HydrophobicContact CZ-CD2 4.02Å; L370-L374 HydrophobicContact CD1-CG 4.49Å; L370-L374 HydrophobicContact CG-CD1 4.34Å; L370-L374 WeakPolarHBondContact O-CB 3.23Å; L370-L374 VanDerWaalsContact O-CG 3.25Å; L370-L374 WeakPolarHBondContact O-CG 3.12Å; L370-L374 PolarHBondContact O-N 2.76Å; L371-L374 HydrophobicContact CD2-CD1 4.49Å; L371-L374 WeakPolarHBondContact O-CB 3.45Å; L371-L374 PolarHBondContact O-N 3.23Å; L374-L377 HydrophobicContact CD2-CD1 4.15Å
375	Y	88	Confident	84.3	Confident	64 Å²	64	59.6 Å²	59.6	25%	0.251	28%	0.279	S	S	.	.	H	α-helix	trans	-64.4	-47.2	175.8	177.7	-115.8	0	0	0	112.8	F201 D202 N203 G205 K224 L371 K372 F373 L377	F201-Y375 HydrophobicContact CB-CD2 3.57Å; F201-Y375 HydrophobicContact CB-CE2 4.06Å; F201-Y375 HydrophobicContact CD1-CD2 4.18Å; F201-Y375 HydrophobicContact CD1-CG 4.39Å; F201-Y375 HydrophobicContact CD2-CD2 4.48Å; F201-Y375 AromaticContact CG-CD2 3.84Å; F201-Y375 HydrophobicContact CG-CD2 3.84Å; F201-Y375 HydrophobicContact CG-CG 4.46Å; D202-Y375 WeakPolarHBondContact O-CE2 3.3Å; N203-Y375 PolarHBondContact O-OH 3.07Å; N203-Y375 VanDerWaalsContact O-OH 3.12Å; G205-Y375 VanDerWaalsContact CA-CE1 3.49Å; K224-Y375 HydrophobicContact CD-CD2 4.37Å; K224-Y375 WeakPolarHBondContact CD-O 3.43Å; K224-Y375 PolarHBondContact NZ-O 2.93Å; L371-Y375 PolarHBondContact O-N 3.22Å; K372-Y375 WeakPolarHBondContact O-CB 3.33Å; K372-Y375 PolarHBondContact O-N 2.7Å; F373-Y375 PolarHBondContact O-N 3.4Å; Y375-L377 VanDerWaalsContact C-N 3.28Å; Y375-L377 PolarHBondContact O-N 3.45Å
376	V	86.5	Confident	83.2	Confident	43 Å²	43	57.2 Å²	57.2	26%	0.261	27%	0.274	S	S	.	.	H	α-helix	trans	-75.4	-13.4	-177.2	-60.8	0	0	0	0	114.2	V341 F342 K372 F373 P378	V341-V376 HydrophobicContact CG1-CG2 4.17Å; F342-V376 HydrophobicContact CD1-CG1 3.88Å; F342-V376 HydrophobicContact CE1-CG1 3.83Å; K372-V376 WeakPolarHBondContact O-CG2 3.27Å; K372-V376 PolarHBondContact O-N 3.02Å; F373-V376 VanDerWaalsContact O-CG2 3.24Å; F373-V376 WeakPolarHBondContact O-CG2 3.36Å; F373-V376 PolarHBondContact O-N 2.77Å; F373-V376 VanDerWaalsContact O-N 3.15Å; V376-P378 WeakPolarHBondContact O-CD 3.23Å
377	L	87.4	Confident	82.1	Confident	4 Å²	4	57.5 Å²	57.5	2%	0.021	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-54	121.7	178.9	-81.2	179.2	0	0	0	111.5	K224 F252 F298 F348 F373 L374 Y375	K224-L377 PolarHBondContact NZ-O 2.85Å; F252-L377 HydrophobicContact CD1-CD1 3.99Å; F252-L377 HydrophobicContact CD2-CD1 4.31Å; F252-L377 HydrophobicContact CE1-CD1 3.57Å; F252-L377 HydrophobicContact CE2-CD1 3.89Å; F252-L377 HydrophobicContact CG-CD1 4.35Å; F252-L377 HydrophobicContact CZ-CD1 3.5Å; F298-L377 HydrophobicContact CE1-CD1 4.49Å; F348-L377 HydrophobicContact CB-CD2 3.89Å; F348-L377 HydrophobicContact CD1-CD2 3.31Å; F348-L377 HydrophobicContact CE1-CD2 3.91Å; F348-L377 HydrophobicContact CG-CD2 3.67Å; F373-L377 HydrophobicContact CD1-CD1 4.36Å; F373-L377 HydrophobicContact CD1-CD2 4.49Å; F373-L377 HydrophobicContact CD1-CG 4.32Å; F373-L377 HydrophobicContact CE1-CD1 4Å; F373-L377 HydrophobicContact CE1-CD2 3.77Å; F373-L377 HydrophobicContact CE1-CG 4.01Å; F373-L377 HydrophobicContact CE2-CD2 4.05Å; F373-L377 HydrophobicContact CZ-CD2 3.5Å; F373-L377 HydrophobicContact CZ-CG 4.19Å; F373-L377 WeakPolarHBondContact O-CG 3.21Å; F373-L377 PolarHBondContact O-N 3.14Å; L374-L377 HydrophobicContact CD2-CD1 4.15Å; Y375-L377 VanDerWaalsContact C-N 3.28Å; Y375-L377 PolarHBondContact O-N 3.45Å
378	P	78.6	Confident	81.3	Confident	30 Å²	30	59.2 Å²	59.2	20%	0.195	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-72.7	155.1	-177.9	32.6	-39.7	0	0	0	111	Q144 G345 R349 V376	Q144-P378 PolarHBondContact NE2-O 2.74Å; G345-P378 WeakPolarHBondContact O-CD 3.45Å; R349-P378 HydrophobicContact CG-CG 3.74Å; V376-P378 WeakPolarHBondContact O-CD 3.23Å
379	P	74.5	Confident	80.6	Confident	63 Å²	63	55.8 Å²	55.8	41%	0.409	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-51.6	142.6	170.7	-26.7	34.4	0	0	0	111.3	R349	R349-P379 PolarHBondContact NE-O 2.86Å; R349-P379 PolarHBondContact NH2-O 3.08Å
380	R	71.9	Confident	79.8	Confident	99 Å²	99	56.9 Å²	56.9	37%	0.374	29%	0.286	S	S	.	.	S	Bend	trans	-62.8	-53.8	-179.3	179.4	-175.1	177.8	148	4.6	111	P250 H251	P250-R380 PolarHBondContact O-NH1 2.66Å; H251-R380 HydrophobicContact CB-CB 4.27Å; H251-R380 VanDerWaalsContact CD2-CB 3.41Å; H251-R380 WeakPolarHBondContact CD2-CB 3.46Å
381	D	71.8	Confident	79	Confident	46 Å²	46	64.8 Å²	64.8	25%	0.246	32%	0.322	C	S	.	.	S	Bend	trans	-82.4	139.3	-177.2	-64.9	-20.7	0	0	0	109.9	Q385 A386	D381-Q385 HydrophobicContact CB-CB 4.13Å; D381-A386 HydrophobicContact CB-CB 4.42Å
382	T	68.5	Low	78.6	Confident	60 Å²	60	67 Å²	67	37%	0.368	33%	0.333	S	S	.	.			trans	-64.3	152.3	168.4	58.3	0	0	0	0	109.5	R384 Q385 A386	T382-R384 PolarHBondContact O-N 2.83Å; T382-Q385 VanDerWaalsContact N-OE1 3.09Å; T382-Q385 PolarHBondContact O-N 3.41Å; T382-Q385 VanDerWaalsContact OG1-CD 3.32Å; T382-Q385 WeakPolarHBondContact OG1-CG 3.45Å; T382-Q385 PolarHBondContact OG1-N 3.24Å; T382-Q385 PolarHBondContact OG1-OE1 3.38Å; T382-Q385 VanDerWaalsContact OG1-OE1 3.12Å; T382-A386 PolarHBondContact O-N 2.85Å
383	K	67.7	Low	78.5	Confident	189 Å²	189	67.6 Å²	67.6	82%	0.822	34%	0.338	S	S	*	.	H	α-helix	trans	-50.9	-33.5	176	-67.6	-173.6	177.9	-176.5	0	112.4	A387	K383-A387 VanDerWaalsContact O-CB 3.24Å; K383-A387 WeakPolarHBondContact O-CB 3.38Å; K383-A387 PolarHBondContact O-N 3Å
384	R	65.8	Low	78.5	Confident	217 Å²	217	68.3 Å²	68.3	82%	0.819	34%	0.342	S	S	*	.	H	α-helix	trans	-67.9	-45.2	175.9	-172.3	178.6	-179.8	-179.4	0.6	112.9	T382 A387 A388	T382-R384 PolarHBondContact O-N 2.83Å; R384-A387 PolarHBondContact O-N 3.21Å; R384-A388 WeakPolarHBondContact O-CB 3.28Å; R384-A388 PolarHBondContact O-N 3.14Å
385	Q	71.6	Confident	78.7	Confident	96 Å²	96	68.4 Å²	68.4	45%	0.449	34%	0.343	S	S	.	.	H	α-helix	trans	-67.2	-43.8	176.9	-76.2	162.6	-20.8	0	0	111.3	D381 T382 A387 A388 N389	D381-Q385 HydrophobicContact CB-CB 4.13Å; T382-Q385 VanDerWaalsContact N-OE1 3.09Å; T382-Q385 PolarHBondContact O-N 3.41Å; T382-Q385 VanDerWaalsContact OG1-CD 3.32Å; T382-Q385 WeakPolarHBondContact OG1-CG 3.45Å; T382-Q385 PolarHBondContact OG1-N 3.24Å; T382-Q385 PolarHBondContact OG1-OE1 3.38Å; T382-Q385 VanDerWaalsContact OG1-OE1 3.12Å; Q385-A387 VanDerWaalsContact C-N 3.33Å; Q385-A387 PolarHBondContact O-N 3.27Å; Q385-A388 PolarHBondContact O-N 3.21Å; Q385-N389 WeakPolarHBondContact O-CB 3.44Å; Q385-N389 VanDerWaalsContact O-CG 3.25Å; Q385-N389 PolarHBondContact O-N 2.93Å; Q385-N389 PolarHBondContact O-ND2 3.13Å
386	A	71.5	Confident	79.1	Confident	35 Å²	35	65.4 Å²	65.4	29%	0.289	33%	0.331	S	S	.	.	H	α-helix	trans	-58.5	-46	175.2	0	0	0	0	0	111.2	D381 T382 A388 N389 I390	D381-A386 HydrophobicContact CB-CB 4.42Å; T382-A386 PolarHBondContact O-N 2.85Å; A386-A388 PolarHBondContact O-N 2.87Å; A386-N389 PolarHBondContact O-N 2.86Å; A386-I390 WeakPolarHBondContact O-CB 3.42Å; A386-I390 WeakPolarHBondContact O-CD1 2.94Å; A386-I390 VanDerWaalsContact O-CG1 3.22Å; A386-I390 WeakPolarHBondContact O-CG1 3.28Å; A386-I390 PolarHBondContact O-N 2.83Å
387	A	71.3	Confident	79.5	Confident	36 Å²	36	64 Å²	64	30%	0.298	32%	0.322	S	S	.	.	H	α-helix	trans	-63.3	-40	176	0	0	0	0	0	112.9	K383 R384 Q385 I390 Q391	K383-A387 VanDerWaalsContact O-CB 3.24Å; K383-A387 WeakPolarHBondContact O-CB 3.38Å; K383-A387 PolarHBondContact O-N 3Å; R384-A387 PolarHBondContact O-N 3.21Å; Q385-A387 VanDerWaalsContact C-N 3.33Å; Q385-A387 PolarHBondContact O-N 3.27Å; A387-I390 PolarHBondContact O-N 3.48Å; A387-Q391 WeakPolarHBondContact O-CG 3.23Å; A387-Q391 PolarHBondContact O-N 3.12Å
388	A	78.6	Confident	80	Confident	45 Å²	45	63.8 Å²	63.8	37%	0.372	32%	0.321	S	S	.	.	H	α-helix	trans	-63.3	-48.1	175.7	0	0	0	0	0	111.2	R384 Q385 A386 I390 Q391 E392	R384-A388 WeakPolarHBondContact O-CB 3.28Å; R384-A388 PolarHBondContact O-N 3.14Å; Q385-A388 PolarHBondContact O-N 3.21Å; A386-A388 PolarHBondContact O-N 2.87Å; A388-I390 VanDerWaalsContact C-N 3.27Å; A388-I390 PolarHBondContact O-N 3.2Å; A388-Q391 PolarHBondContact O-N 2.88Å; A388-Q391 VanDerWaalsContact O-N 3.09Å; A388-E392 PolarHBondContact O-N 2.9Å
389	N	78.7	Confident	80.6	Confident	40 Å²	40	63.3 Å²	63.3	21%	0.214	32%	0.316	C	S	.	.	H	α-helix	trans	-59.6	-39.1	177.9	-68.9	-16.3	0	0	0	111.6	Q385 A386 Q391 E392 G418 A456	Q385-N389 WeakPolarHBondContact O-CB 3.44Å; Q385-N389 VanDerWaalsContact O-CG 3.25Å; Q385-N389 PolarHBondContact O-N 2.93Å; Q385-N389 PolarHBondContact O-ND2 3.13Å; A386-N389 PolarHBondContact O-N 2.86Å; N389-Q391 VanDerWaalsContact C-N 3.3Å; N389-Q391 PolarHBondContact O-N 3.31Å; N389-E392 PolarHBondContact O-N 3.05Å; N389-G418 WeakPolarHBondContact O-CA 3.45Å; N389-G418 PolarHBondContact O-N 3.06Å; N389-A456 HydrophobicContact CB-CB 3.91Å
390	I	76.3	Confident	81.5	Confident	52 Å²	52	62.2 Å²	62.2	27%	0.267	31%	0.307	S	S	.	.	H	α-helix	trans	-64.8	-32.1	177.5	-77.4	168.2	0	0	0	112.5	A386 A387 A388 E392 V419	A386-I390 WeakPolarHBondContact O-CB 3.42Å; A386-I390 WeakPolarHBondContact O-CD1 2.94Å; A386-I390 VanDerWaalsContact O-CG1 3.22Å; A386-I390 WeakPolarHBondContact O-CG1 3.28Å; A386-I390 PolarHBondContact O-N 2.83Å; A387-I390 PolarHBondContact O-N 3.48Å; A388-I390 VanDerWaalsContact C-N 3.27Å; A388-I390 PolarHBondContact O-N 3.2Å; I390-E392 VanDerWaalsContact C-N 3.33Å; I390-V419 HydrophobicContact CB-CG2 4.29Å; I390-V419 HydrophobicContact CG1-CG2 4.37Å; I390-V419 HydrophobicContact CG2-CG2 3.66Å
391	Q	79	Confident	82.5	Confident	168 Å²	168	59.4 Å²	59.4	79%	0.785	30%	0.301	S	S	*	.	H	α-helix	trans	-81	-13.6	-179.9	-72.8	175.8	-3.8	0	0	113.5	A387 A388 N389	A387-Q391 WeakPolarHBondContact O-CG 3.23Å; A387-Q391 PolarHBondContact O-N 3.12Å; A388-Q391 PolarHBondContact O-N 2.88Å; A388-Q391 VanDerWaalsContact O-N 3.09Å; N389-Q391 VanDerWaalsContact C-N 3.3Å; N389-Q391 PolarHBondContact O-N 3.31Å
392	E	85.9	Confident	83.5	Confident	65 Å²	65	61.4 Å²	61.4	30%	0.304	31%	0.308	S	S	.	.	S	Bend	trans	-75	163.6	176.9	-69.4	-167.7	-158.7	0	0	112.9	A388 N389 I390 R417 G418 R483	A388-E392 PolarHBondContact O-N 2.9Å; N389-E392 PolarHBondContact O-N 3.05Å; I390-E392 VanDerWaalsContact C-N 3.33Å; E392-R417 HydrophobicContact CB-CB 4.2Å; E392-R417 IonicContact OE1-NH1 3.48Å; E392-R417 PolarHBondContact OE1-NH1 3.14Å; E392-R417 WeakPolarHBondContact OE2-CD 3.43Å; E392-R417 IonicContact OE2-CZ 2.79Å; E392-R417 IonicContact OE2-NE 3.9Å; E392-R417 IonicContact OE2-NH1 3.76Å; E392-R417 PolarHBondContact OE2-NH1 2.96Å; E392-G418 WeakPolarHBondContact O-CA 3.21Å; E392-R483 IonicContact OE2-NH2 3.55Å
393	D	89.6	Confident	84.6	Confident	67 Å²	67	63.2 Å²	63.2	36%	0.358	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-62.1	144.5	170.4	-75	-26.1	0	0	0	111.6	E395 S482 R483	D393-E395 PolarHBondContact O-N 3.47Å; D393-S482 PolarHBondContact OD1-OG 3.49Å; D393-S482 VanDerWaalsContact OD1-OG 3.09Å; D393-S482 WeakPolarHBondContact OD2-CB 3.4Å; D393-S482 PolarHBondContact OD2-OG 3.43Å; D393-R483 HydrophobicContact CB-CG 4.1Å
394	V	93.9	Very high	85.7	Confident	14 Å²	14	57.1 Å²	57.1	9%	0.085	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-54.6	129.4	179.7	173.2	0	0	0	0	111	L415 R417 V419 L420 L426 I479 G480	V394-L415 HydrophobicContact CG1-CD1 3.93Å; V394-R417 WeakPolarHBondContact CA-O 3.29Å; V394-V419 VanDerWaalsContact CG2-O 3.29Å; V394-V419 WeakPolarHBondContact CG2-O 3.17Å; V394-L420 HydrophobicContact CG1-CD1 3.98Å; V394-L426 HydrophobicContact CB-CD2 4.13Å; V394-L426 HydrophobicContact CG1-CD1 3.83Å; V394-L426 HydrophobicContact CG1-CD2 4.16Å; V394-I479 CarbonylContact O-C 3.47Å; V394-I479 VanDerWaalsContact O-CA 3.3Å; V394-I479 WeakPolarHBondContact O-CA 3.36Å; V394-G480 PolarHBondContact O-N 2.97Å
395	E	95.1	Very high	86.8	Confident	4 Å²	4	52.7 Å²	52.7	2%	0.019	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	105.1	167.6	-174.2	-170.7	126.8	0	0	108.7	D393 Q397 T416 R417 L478 I479 R483	D393-E395 PolarHBondContact O-N 3.47Å; E395-Q397 PolarHBondContact OE1-NE2 2.78Å; E395-Q397 VanDerWaalsContact OE1-NE2 3.1Å; E395-T416 WeakPolarHBondContact CB-OG1 3.41Å; E395-T416 VanDerWaalsContact CD-OG1 3.24Å; E395-T416 WeakPolarHBondContact CG-OG1 3.35Å; E395-T416 PolarHBondContact O-N 2.96Å; E395-T416 PolarHBondContact O-OG1 2.9Å; E395-T416 PolarHBondContact OE1-OG1 3.47Å; E395-R417 HydrophobicContact CB-CB 4.09Å; E395-R417 PolarHBondContact N-O 3.47Å; E395-R417 PolarHBondContact O-N 3.27Å; E395-R417 WeakPolarHBondContact OE2-CD 3.13Å; E395-R417 IonicContact OE2-NE 2.69Å; E395-L478 WeakPolarHBondContact CA-O 3.3Å; E395-I479 HydrophobicContact CG-CG1 4.42Å; E395-R483 IonicContact OE2-NH1 3.02Å; E395-R483 PolarHBondContact OE2-NH1 3.17Å; E395-R483 VanDerWaalsContact OE2-NH1 3.13Å
396	F	96.6	Very high	87.6	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	117.3	179.7	-177.8	-90.5	0	0	0	109.9	I398 V411 G413 L415 L420 A460 V462 V477 L478	F396-I398 HydrophobicContact CD1-CG1 4.03Å; F396-I398 HydrophobicContact CE1-CG1 4.13Å; F396-V411 HydrophobicContact CE1-CG2 4.02Å; F396-G413 VanDerWaalsContact CE2-O 3.28Å; F396-G413 WeakPolarHBondContact CE2-O 3.41Å; F396-G413 VanDerWaalsContact CZ-C 3.41Å; F396-G413 WeakPolarHBondContact CZ-O 3.5Å; F396-L415 HydrophobicContact CB-CD1 3.93Å; F396-L415 HydrophobicContact CD2-CB 3.94Å; F396-L415 HydrophobicContact CD2-CD1 4.19Å; F396-L420 HydrophobicContact CD2-CD2 4.12Å; F396-L420 HydrophobicContact CE2-CD2 4.46Å; F396-A460 HydrophobicContact CE2-CB 4.42Å; F396-A460 WeakPolarHBondContact CZ-O 3.2Å; F396-V462 HydrophobicContact CE1-CG2 4.21Å; F396-V462 HydrophobicContact CE2-CG2 4.01Å; F396-V462 HydrophobicContact CZ-CG2 3.72Å; F396-V477 CarbonylContact O-C 3.5Å; F396-V477 WeakPolarHBondContact O-CA 3.29Å; F396-L478 HydrophobicContact CB-CB 4.05Å; F396-L478 HydrophobicContact CD1-CD1 3.94Å; F396-L478 HydrophobicContact CD1-CG 4.33Å; F396-L478 HydrophobicContact CG-CD1 4.44Å; F396-L478 PolarHBondContact N-O 3.12Å; F396-L478 PolarHBondContact O-N 3.24Å
397	Q	96	Very high	88.4	Confident	14 Å²	14	54.1 Å²	54.1	7%	0.065	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	113.9	-176	-66.5	-169.4	-9.9	0	0	110.7	E395 D399 G413 L414 T416 V477 N517	E395-Q397 PolarHBondContact OE1-NE2 2.78Å; E395-Q397 VanDerWaalsContact OE1-NE2 3.1Å; Q397-D399 PolarHBondContact O-N 2.82Å; Q397-G413 CarbonylContact O-C 3.54Å; Q397-G413 WeakPolarHBondContact O-CA 3.34Å; Q397-L414 PolarHBondContact N-O 3.48Å; Q397-L414 PolarHBondContact O-N 3.44Å; Q397-T416 HydrophobicContact CG-CG2 3.83Å; Q397-V477 HydrophobicContact CG-CG1 4.19Å; Q397-N517 HydrophobicContact CB-CB 4.14Å
398	I	97	Very high	89.3	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	114.7	-176.6	-59.9	166.1	0	0	0	110	F396 D400 V401 V411 L428 G475 M476 L478 N517	F396-I398 HydrophobicContact CD1-CG1 4.03Å; F396-I398 HydrophobicContact CE1-CG1 4.13Å; I398-D400 WeakPolarHBondContact CG2-O 3.5Å; I398-V401 HydrophobicContact CG2-CG2 3.96Å; I398-V411 HydrophobicContact CD1-CB 4.17Å; I398-V411 HydrophobicContact CD1-CG1 4.03Å; I398-V411 HydrophobicContact CD1-CG2 4.25Å; I398-V411 HydrophobicContact CG1-CB 4.06Å; I398-V411 HydrophobicContact CG1-CG1 4.45Å; I398-V411 HydrophobicContact CG1-CG2 4.14Å; I398-V411 HydrophobicContact CG2-CB 3.91Å; I398-V411 HydrophobicContact CG2-CG1 4.17Å; I398-L428 HydrophobicContact CD1-CD1 3.45Å; I398-L428 VanDerWaalsContact CD1-CD1 3.45Å; I398-G475 PolarHBondContact O-N 2.89Å; I398-M476 HydrophobicContact CB-CB 4.42Å; I398-M476 VanDerWaalsContact CB-O 3.29Å; I398-M476 WeakPolarHBondContact CB-O 3.12Å; I398-M476 HydrophobicContact CD1-CB 3.84Å; I398-M476 PolarHBondContact N-O 2.98Å; I398-L478 HydrophobicContact CD1-CG 4.29Å; I398-N517 PolarHBondContact N-ND2 2.88Å; I398-N517 VanDerWaalsContact N-ND2 3.16Å; I398-N517 PolarHBondContact O-ND2 2.78Å
399	D	92.2	Very high	90.1	Very high	19 Å²	19	54.9 Å²	54.9	10%	0.102	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-37.5	175.9	-178.7	64	0	0	0	112.1	A247 Y248 Q397 S412 K474	A247-D399 HydrophobicContact CB-CB 4.46Å; A247-D399 WeakPolarHBondContact CB-OD1 3.43Å; Y248-D399 WeakPolarHBondContact CE2-OD2 3.41Å; Y248-D399 VanDerWaalsContact CZ-OD2 3.23Å; Y248-D399 PolarHBondContact OH-OD2 3.46Å; Q397-D399 PolarHBondContact O-N 2.82Å; D399-S412 PolarHBondContact N-O 3.07Å; D399-K474 WeakPolarHBondContact O-CD 3.17Å; D399-K474 VanDerWaalsContact O-CG 3.24Å; D399-K474 WeakPolarHBondContact O-CG 3.26Å
400	D	92.7	Very high	90.9	Very high	40 Å²	40	53.6 Å²	53.6	21%	0.214	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	157.9	-178.8	-145.9	-7.4	0	0	0	113.2	I398 F402 V411 S412 K474	I398-D400 WeakPolarHBondContact CG2-O 3.5Å; D400-F402 HydrophobicContact CB-CE2 3.72Å; D400-F402 HydrophobicContact CB-CZ 3.8Å; D400-F402 VanDerWaalsContact CG-CZ 3.45Å; D400-F402 VanDerWaalsContact OD2-CZ 3.29Å; D400-F402 WeakPolarHBondContact OD2-CZ 3.07Å; D400-V411 CarbonylContact O-C 3.55Å; D400-V411 WeakPolarHBondContact O-CA 3.43Å; D400-S412 PolarHBondContact N-O 3.22Å; D400-S412 VanDerWaalsContact N-O 3.07Å; D400-S412 PolarHBondContact O-N 3.42Å; D400-K474 WeakPolarHBondContact OD1-CE 3.33Å; D400-K474 IonicContact OD1-NZ 2.75Å; D400-K474 PolarHBondContact OD1-NZ 3.18Å; D400-K474 IonicContact OD2-NZ 2.79Å; D400-K474 PolarHBondContact OD2-NZ 2.95Å
401	V	93.9	Very high	91.9	Very high	40 Å²	40	51.1 Å²	51.1	24%	0.242	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	132.2	-175.7	177.5	0	0	0	0	109	I398 V411 L472	I398-V401 HydrophobicContact CG2-CG2 3.96Å; V401-V411 HydrophobicContact CG2-CG1 4.41Å; V401-L472 HydrophobicContact CG1-CB 3.65Å; V401-L472 HydrophobicContact CG1-CD1 3.77Å; V401-L472 HydrophobicContact CG1-CG 4.35Å; V401-L472 HydrophobicContact CG2-CB 4.12Å
402	F	92	Very high	92.6	Very high	89 Å²	89	43.6 Å²	43.6	39%	0.39	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	151	-179.4	-53.2	-83.2	0	0	0	110.2	D400 V404 V410	D400-F402 HydrophobicContact CB-CE2 3.72Å; D400-F402 HydrophobicContact CB-CZ 3.8Å; D400-F402 VanDerWaalsContact CG-CZ 3.45Å; D400-F402 VanDerWaalsContact OD2-CZ 3.29Å; D400-F402 WeakPolarHBondContact OD2-CZ 3.07Å; F402-V404 HydrophobicContact CB-CG2 4.15Å; F402-V410 HydrophobicContact CB-CB 4.31Å; F402-V410 PolarHBondContact N-O 2.73Å; F402-V410 PolarHBondContact O-N 3.02Å
403	C	91.5	Very high	93	Very high	98 Å²	98	40.5 Å²	40.5	66%	0.662	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.1	107.6	164.9	-168.8	0	0	0	0	107
404	V	90.2	Very high	93.2	Very high	60 Å²	60	37.7 Å²	37.7	36%	0.364	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	125.8	-173.8	179.4	0	0	0	0	108.8	F402 G406 V407 G408 V410	F402-V404 HydrophobicContact CB-CG2 4.15Å; V404-G406 PolarHBondContact O-N 3.39Å; V404-V407 HydrophobicContact CB-CB 4.17Å; V404-V407 HydrophobicContact CG1-CB 4.26Å; V404-V407 HydrophobicContact CG1-CG2 4.15Å; V404-V407 PolarHBondContact O-N 2.79Å; V404-V407 VanDerWaalsContact O-N 3.15Å; V404-G408 PolarHBondContact N-O 2.72Å; V404-G408 PolarHBondContact O-N 3.02Å; V404-V410 HydrophobicContact CB-CG2 4.32Å; V404-V410 HydrophobicContact CG2-CB 4.41Å; V404-V410 HydrophobicContact CG2-CG2 4.02Å
405	P	90.2	Very high	93.2	Very high	125 Å²	125	37 Å²	37	81%	0.812	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	133.4	176.7	-26.3	34.6	0	0	0	112	V407	P405-V407 PolarHBondContact O-N 2.69Å; P405-V407 VanDerWaalsContact O-N 3.14Å
406	G	87.7	Confident	93	Very high	95 Å²	95	37.8 Å²	37.8	98%	0.979	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.7	-26.7	-178.6	0	0	0	0	0	115.6	V404	V404-G406 PolarHBondContact O-N 3.39Å
407	V	87.5	Confident	92.7	Very high	66 Å²	66	41.8 Å²	41.8	40%	0.4	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-35.5	178.6	-178.2	0	0	0	0	111.9	V404 P405 V410 S463	V404-V407 HydrophobicContact CB-CB 4.17Å; V404-V407 HydrophobicContact CG1-CB 4.26Å; V404-V407 HydrophobicContact CG1-CG2 4.15Å; V404-V407 PolarHBondContact O-N 2.79Å; V404-V407 VanDerWaalsContact O-N 3.15Å; P405-V407 PolarHBondContact O-N 2.69Å; P405-V407 VanDerWaalsContact O-N 3.14Å; V407-V410 HydrophobicContact CB-CG2 4.43Å; V407-V410 HydrophobicContact CG1-CG2 3.69Å; V407-S463 WeakPolarHBondContact CG1-OG 3.4Å
408	G	91.3	Very high	92.4	Very high	29 Å²	29	41.1 Å²	41.1	30%	0.299	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	90.6	-140.5	-176.2	0	0	0	0	0	112.8	V404 V410	V404-G408 PolarHBondContact N-O 2.72Å; V404-G408 PolarHBondContact O-N 3.02Å; G408-V410 PolarHBondContact O-N 2.79Å
409	H	95.1	Very high	91.9	Very high	67 Å²	67	41.6 Å²	41.6	31%	0.31	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	124.5	-178	-63.9	-64.8	0	0	0	111.5	S463 I464 L467 L472	H409-S463 WeakPolarHBondContact O-CA 3.46Å; H409-I464 PolarHBondContact O-N 2.61Å; H409-L467 HydrophobicContact CB-CD1 4.03Å; H409-L472 HydrophobicContact CB-CD1 3.89Å
410	V	95.5	Very high	91.7	Very high	14 Å²	14	40.7 Å²	40.7	9%	0.085	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	127.7	177.3	179.7	0	0	0	0	108.5	F402 V404 V407 G408 V462	F402-V410 HydrophobicContact CB-CB 4.31Å; F402-V410 PolarHBondContact N-O 2.73Å; F402-V410 PolarHBondContact O-N 3.02Å; V404-V410 HydrophobicContact CB-CG2 4.32Å; V404-V410 HydrophobicContact CG2-CB 4.41Å; V404-V410 HydrophobicContact CG2-CG2 4.02Å; V407-V410 HydrophobicContact CB-CG2 4.43Å; V407-V410 HydrophobicContact CG1-CG2 3.69Å; G408-V410 PolarHBondContact O-N 2.79Å; V410-V462 CarbonylContact C-O 3.54Å; V410-V462 WeakPolarHBondContact CA-O 3.08Å
411	V	96.4	Very high	91.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	148.6	173.2	-60.2	0	0	0	0	109.7	F396 I398 D400 V401 T461 V462 I464 L472 L478	F396-V411 HydrophobicContact CE1-CG2 4.02Å; I398-V411 HydrophobicContact CD1-CB 4.17Å; I398-V411 HydrophobicContact CD1-CG1 4.03Å; I398-V411 HydrophobicContact CD1-CG2 4.25Å; I398-V411 HydrophobicContact CG1-CB 4.06Å; I398-V411 HydrophobicContact CG1-CG1 4.45Å; I398-V411 HydrophobicContact CG1-CG2 4.14Å; I398-V411 HydrophobicContact CG2-CB 3.91Å; I398-V411 HydrophobicContact CG2-CG1 4.17Å; D400-V411 CarbonylContact O-C 3.55Å; D400-V411 WeakPolarHBondContact O-CA 3.43Å; V401-V411 HydrophobicContact CG2-CG1 4.41Å; V411-T461 CarbonylContact O-C 3.59Å; V411-T461 VanDerWaalsContact O-CA 3.3Å; V411-T461 WeakPolarHBondContact O-CA 3.41Å; V411-V462 HydrophobicContact CG2-CB 3.93Å; V411-V462 PolarHBondContact N-O 3.18Å; V411-V462 PolarHBondContact O-N 3Å; V411-I464 HydrophobicContact CB-CD1 4.2Å; V411-I464 HydrophobicContact CG1-CD1 3.49Å; V411-I464 VanDerWaalsContact CG1-CD1 3.49Å; V411-I464 HydrophobicContact CG1-CG1 4.37Å; V411-I464 HydrophobicContact CG2-CD1 3.64Å; V411-I464 HydrophobicContact CG2-CG1 4.06Å; V411-L472 HydrophobicContact CG1-CD1 3.9Å; V411-L472 HydrophobicContact CG1-CD2 3.97Å; V411-L478 HydrophobicContact CG2-CD1 4.26Å
412	S	94.1	Very high	91	Very high	9 Å²	9	46.8 Å²	46.8	6%	0.063	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	138.3	177.5	-171.6	0	0	0	0	109.1	D399 D400 F459	D399-S412 PolarHBondContact N-O 3.07Å; D400-S412 PolarHBondContact N-O 3.22Å; D400-S412 VanDerWaalsContact N-O 3.07Å; D400-S412 PolarHBondContact O-N 3.42Å; S412-F459 WeakPolarHBondContact OG-CE1 3.37Å; S412-F459 WeakPolarHBondContact OG-CZ 3.38Å
413	G	94.6	Very high	90.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.9	174.3	-170.1	0	0	0	0	0	115.2	F396 Q397 F459 A460	F396-G413 VanDerWaalsContact CE2-O 3.28Å; F396-G413 WeakPolarHBondContact CE2-O 3.41Å; F396-G413 VanDerWaalsContact CZ-C 3.41Å; F396-G413 WeakPolarHBondContact CZ-O 3.5Å; Q397-G413 CarbonylContact O-C 3.54Å; Q397-G413 WeakPolarHBondContact O-CA 3.34Å; G413-F459 WeakPolarHBondContact O-CA 3.5Å; G413-F459 WeakPolarHBondContact O-CD2 3.4Å; G413-A460 PolarHBondContact N-O 2.8Å; G413-A460 PolarHBondContact O-N 2.84Å
414	L	94.1	Very high	90.9	Very high	8 Å²	8	42 Å²	42	4%	0.042	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	125.5	178.4	179.5	69.1	0	0	0	109.5	K249 Q397 T416 F459	K249-L414 HydrophobicContact CB-CD2 3.95Å; K249-L414 HydrophobicContact CD-CD2 4.01Å; K249-L414 HydrophobicContact CG-CD2 4.13Å; Q397-L414 PolarHBondContact N-O 3.48Å; Q397-L414 PolarHBondContact O-N 3.44Å; L414-T416 HydrophobicContact CD2-CG2 4.13Å; L414-T416 HydrophobicContact CG-CG2 4.33Å; L414-T416 PolarHBondContact O-N 3.31Å; L414-F459 HydrophobicContact CB-CD2 4.3Å
415	L	93.6	Very high	91.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	106.4	166.7	-171.1	60.7	0	0	0	108.4	V394 F396 R417 L420 V454 Q455 A456 A457 Q458	V394-L415 HydrophobicContact CG1-CD1 3.93Å; F396-L415 HydrophobicContact CB-CD1 3.93Å; F396-L415 HydrophobicContact CD2-CB 3.94Å; F396-L415 HydrophobicContact CD2-CD1 4.19Å; L415-R417 VanDerWaalsContact CD1-O 3.23Å; L415-R417 WeakPolarHBondContact CD1-O 3.4Å; L415-L420 HydrophobicContact CD1-CB 4.23Å; L415-L420 HydrophobicContact CD2-CB 3.79Å; L415-V454 HydrophobicContact CB-CG1 4.19Å; L415-V454 HydrophobicContact CD2-CB 4.24Å; L415-V454 HydrophobicContact CD2-CG1 4Å; L415-V454 WeakPolarHBondContact CD2-O 3.46Å; L415-Q455 VanDerWaalsContact CD2-C 3.43Å; L415-A456 CarbonylContact O-C 3.58Å; L415-A456 WeakPolarHBondContact O-CA 3.38Å; L415-A457 PolarHBondContact O-N 3.29Å; L415-Q458 PolarHBondContact N-O 3.5Å
416	T	91.1	Very high	91.4	Very high	21 Å²	21	41.2 Å²	41.2	13%	0.129	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-35.5	-179.1	54.7	0	0	0	0	111.7	E395 Q397 L414	E395-T416 WeakPolarHBondContact CB-OG1 3.41Å; E395-T416 VanDerWaalsContact CD-OG1 3.24Å; E395-T416 WeakPolarHBondContact CG-OG1 3.35Å; E395-T416 PolarHBondContact O-N 2.96Å; E395-T416 PolarHBondContact O-OG1 2.9Å; E395-T416 PolarHBondContact OE1-OG1 3.47Å; Q397-T416 HydrophobicContact CG-CG2 3.83Å; L414-T416 HydrophobicContact CD2-CG2 4.13Å; L414-T416 HydrophobicContact CG-CG2 4.33Å; L414-T416 PolarHBondContact O-N 3.31Å
417	R	89.6	Confident	91.8	Very high	83 Å²	83	38.2 Å²	38.2	31%	0.313	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	152.1	-176.6	-62	161	-173.9	-108.9	3.1	110.8	E392 V394 E395 L415	E392-R417 HydrophobicContact CB-CB 4.2Å; E392-R417 IonicContact OE1-NH1 3.48Å; E392-R417 PolarHBondContact OE1-NH1 3.14Å; E392-R417 WeakPolarHBondContact OE2-CD 3.43Å; E392-R417 IonicContact OE2-CZ 2.79Å; E392-R417 IonicContact OE2-NE 3.9Å; E392-R417 IonicContact OE2-NH1 3.76Å; E392-R417 PolarHBondContact OE2-NH1 2.96Å; V394-R417 WeakPolarHBondContact CA-O 3.29Å; E395-R417 HydrophobicContact CB-CB 4.09Å; E395-R417 PolarHBondContact N-O 3.47Å; E395-R417 PolarHBondContact O-N 3.27Å; E395-R417 WeakPolarHBondContact OE2-CD 3.13Å; E395-R417 IonicContact OE2-NE 2.69Å; L415-R417 VanDerWaalsContact CD1-O 3.23Å; L415-R417 WeakPolarHBondContact CD1-O 3.4Å
418	G	89.5	Confident	92.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	77.7	-163.9	176.1	0	0	0	0	0	115	N389 E392 A456	N389-G418 WeakPolarHBondContact O-CA 3.45Å; N389-G418 PolarHBondContact O-N 3.06Å; E392-G418 WeakPolarHBondContact O-CA 3.21Å; G418-A456 PolarHBondContact O-N 3.14Å
419	V	86.5	Confident	92.5	Very high	10 Å²	10	33.7 Å²	33.7	6%	0.061	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	118	177.7	-179.9	0	0	0	0	108.8	I390 V394 R421 V453 V454 Q455	I390-V419 HydrophobicContact CB-CG2 4.29Å; I390-V419 HydrophobicContact CG1-CG2 4.37Å; I390-V419 HydrophobicContact CG2-CG2 3.66Å; V394-V419 VanDerWaalsContact CG2-O 3.29Å; V394-V419 WeakPolarHBondContact CG2-O 3.17Å; V419-R421 HydrophobicContact CG1-CG 4.21Å; V419-R421 PolarHBondContact O-NH1 2.89Å; V419-V453 HydrophobicContact CG1-CG1 3.41Å; V419-V453 VanDerWaalsContact CG1-CG1 3.41Å; V419-V454 CarbonylContact C-O 3.53Å; V419-V454 WeakPolarHBondContact CA-O 3.48Å; V419-Q455 HydrophobicContact CG2-CG 4.34Å
420	L	89	Confident	92.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	127.1	177.5	-174.8	68.6	0	0	0	109.4	V394 F396 L415 L426 V441 M444 V453 V454 V462	V394-L420 HydrophobicContact CG1-CD1 3.98Å; F396-L420 HydrophobicContact CD2-CD2 4.12Å; F396-L420 HydrophobicContact CE2-CD2 4.46Å; L415-L420 HydrophobicContact CD1-CB 4.23Å; L415-L420 HydrophobicContact CD2-CB 3.79Å; L420-L426 HydrophobicContact CD1-CD1 3.32Å; L420-V441 HydrophobicContact CD1-CG2 3.81Å; L420-M444 HydrophobicContact CB-SD 4.28Å; L420-M444 HydrophobicContact CD2-SD 3.47Å; L420-M444 WeakPolarHBondContact CD2-SD 3.15Å; L420-M444 HydrophobicContact CG-SD 3.53Å; L420-M444 VanDerWaalsContact CG-SD 3.53Å; L420-V453 CarbonylContact O-C 3.55Å; L420-V453 WeakPolarHBondContact O-CA 3.4Å; L420-V454 HydrophobicContact CB-CB 4.28Å; L420-V454 PolarHBondContact N-O 3.39Å; L420-V454 PolarHBondContact O-N 2.8Å; L420-V462 HydrophobicContact CD2-CG1 4.4Å; L420-V462 HydrophobicContact CD2-CG2 3.68Å
421	R	88.5	Confident	92.4	Very high	122 Å²	122	31.2 Å²	31.2	46%	0.46	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	151.5	179.4	-57.7	-179.9	177.9	74.2	0	111.3	V419 G423 D424 R452 V453	V419-R421 HydrophobicContact CG1-CG 4.21Å; V419-R421 PolarHBondContact O-NH1 2.89Å; R421-G423 PolarHBondContact O-N 2.77Å; R421-D424 PolarHBondContact N-OD2 2.95Å; R421-D424 VanDerWaalsContact O-CB 3.26Å; R421-D424 WeakPolarHBondContact O-CB 3.47Å; R421-D424 VanDerWaalsContact O-CG 3.27Å; R421-D424 PolarHBondContact O-N 2.81Å; R421-D424 VanDerWaalsContact O-N 3.15Å; R421-R452 WeakPolarHBondContact CA-O 3.4Å; R421-V453 HydrophobicContact CG-CG2 4.33Å
422	E	84	Confident	92.2	Very high	87 Å²	87	37 Å²	37	41%	0.407	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	133.3	169.7	-164	-177.9	150.4	0	0	110.3	D424 K442 M444 R452	E422-D424 VanDerWaalsContact C-N 3.33Å; E422-K442 WeakPolarHBondContact CG-O 3.27Å; E422-M444 HydrophobicContact CB-CE 4.37Å; E422-M444 VanDerWaalsContact N-CE 3.35Å; E422-R452 HydrophobicContact CB-CB 4.36Å; E422-R452 PolarHBondContact N-O 3.3Å; E422-R452 VanDerWaalsContact OE2-CG 3.29Å; E422-R452 WeakPolarHBondContact OE2-CG 3.47Å; E422-R452 IonicContact OE2-NE 3.55Å
423	G	89.6	Confident	92	Very high	45 Å²	45	44 Å²	44	46%	0.464	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	86	-5.6	-175.4	0	0	0	0	0	115.2	R421 V441	R421-G423 PolarHBondContact O-N 2.77Å; G423-V441 VanDerWaalsContact CA-O 3.28Å; G423-V441 WeakPolarHBondContact CA-O 3.37Å; G423-V441 PolarHBondContact N-O 2.87Å
424	D	91.1	Very high	91.8	Very high	42 Å²	42	44.7 Å²	44.7	23%	0.225	21%	0.214	C	C	.	.			trans	-59.9	141.1	178.4	-80.6	-11.2	0	0	0	111.6	R421 E422 L426 V440 V441	R421-D424 PolarHBondContact N-OD2 2.95Å; R421-D424 VanDerWaalsContact O-CB 3.26Å; R421-D424 WeakPolarHBondContact O-CB 3.47Å; R421-D424 VanDerWaalsContact O-CG 3.27Å; R421-D424 PolarHBondContact O-N 2.81Å; R421-D424 VanDerWaalsContact O-N 3.15Å; E422-D424 VanDerWaalsContact C-N 3.33Å; D424-L426 HydrophobicContact CB-CG 4.31Å; D424-V440 CarbonylContact O-C 3.5Å; D424-V440 WeakPolarHBondContact O-CA 3.4Å; D424-V441 HydrophobicContact CB-CG2 4.24Å; D424-V441 PolarHBondContact O-N 3.46Å
425	R	95.3	Very high	91.7	Very high	159 Å²	159	48.3 Å²	48.3	60%	0.6	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-103.8	113.8	175.1	-55.2	-168.1	175.5	-168.7	-3.3	110.2	V439 V440 R481	R425-V439 CarbonylContact C-O 3.56Å; R425-V439 WeakPolarHBondContact CA-O 3.3Å; R425-V440 HydrophobicContact CG-CG2 4.13Å; R425-R481 WeakPolarHBondContact O-CD 3.48Å; R425-R481 WeakPolarHBondContact O-CG 3.2Å; R425-R481 PolarHBondContact O-NE 2.79Å
426	L	96.2	Very high	91.7	Very high	8 Å²	8	50.4 Å²	50.4	4%	0.042	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	170.6	-171.9	-60	176.9	0	0	0	111.5	V394 L420 D424 S438 V439 V441 L478	V394-L426 HydrophobicContact CB-CD2 4.13Å; V394-L426 HydrophobicContact CG1-CD1 3.83Å; V394-L426 HydrophobicContact CG1-CD2 4.16Å; L420-L426 HydrophobicContact CD1-CD1 3.32Å; D424-L426 HydrophobicContact CB-CG 4.31Å; L426-S438 CarbonylContact O-C 3.5Å; L426-S438 WeakPolarHBondContact O-CA 3.38Å; L426-V439 PolarHBondContact N-O 3.21Å; L426-V439 PolarHBondContact O-N 2.93Å; L426-V441 HydrophobicContact CD1-CG2 4.04Å; L426-L478 HydrophobicContact CB-CB 4.36Å; L426-L478 HydrophobicContact CD1-CB 3.91Å
427	L	96.1	Very high	91.9	Very high	33 Å²	33	52.6 Å²	52.6	17%	0.173	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	123.1	171.4	-64.8	177.6	0	0	0	109.5	F436 K437 L478 I479 R481 P485	L427-F436 HydrophobicContact CB-CB 4.23Å; L427-F436 HydrophobicContact CB-CD1 4.36Å; L427-K437 CarbonylContact C-O 3.48Å; L427-K437 WeakPolarHBondContact CA-O 3.4Å; L427-L478 CarbonylContact O-C 3.41Å; L427-L478 VanDerWaalsContact O-CA 3.31Å; L427-L478 WeakPolarHBondContact O-CA 3.41Å; L427-I479 PolarHBondContact N-O 3.31Å; L427-I479 PolarHBondContact O-N 2.84Å; L427-R481 HydrophobicContact CD2-CG 4.44Å; L427-R481 HydrophobicContact CG-CG 4.15Å; L427-P485 HydrophobicContact CD1-CG 4.07Å
428	L	96.8	Very high	92.1	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	127	176.1	171.5	68.8	0	0	0	109.9	I398 F436 K437 V439 I464 L467 F470 L472 M476 V477 L478	I398-L428 HydrophobicContact CD1-CD1 3.45Å; I398-L428 VanDerWaalsContact CD1-CD1 3.45Å; L428-F436 CarbonylContact O-C 3.55Å; L428-F436 VanDerWaalsContact O-CA 3.3Å; L428-F436 WeakPolarHBondContact O-CA 3.46Å; L428-K437 PolarHBondContact N-O 2.85Å; L428-K437 PolarHBondContact O-N 3.07Å; L428-V439 HydrophobicContact CB-CG1 3.88Å; L428-V439 HydrophobicContact CB-CG2 3.81Å; L428-V439 HydrophobicContact CD2-CG1 3.89Å; L428-I464 HydrophobicContact CD1-CD1 4.33Å; L428-I464 HydrophobicContact CD2-CD1 4.37Å; L428-L467 HydrophobicContact CD2-CD1 4.44Å; L428-L467 HydrophobicContact CD2-CD2 3.65Å; L428-F470 HydrophobicContact CD2-CD1 3.91Å; L428-F470 HydrophobicContact CD2-CE1 3.74Å; L428-F470 HydrophobicContact CG-CE1 3.84Å; L428-F470 HydrophobicContact CG-CZ 4.49Å; L428-F470 WeakPolarHBondContact O-CZ 3.37Å; L428-L472 HydrophobicContact CD1-CD2 3.73Å; L428-L472 HydrophobicContact CD2-CD2 3.5Å; L428-L472 HydrophobicContact CD2-CG 4.49Å; L428-L472 HydrophobicContact CG-CD2 4.12Å; L428-M476 HydrophobicContact CD1-CB 4.48Å; L428-M476 HydrophobicContact CD1-SD 4.43Å; L428-V477 WeakPolarHBondContact CA-O 3.35Å; L428-L478 HydrophobicContact CB-CD2 3.77Å; L428-L478 HydrophobicContact CD1-CD2 3.67Å; L428-L478 HydrophobicContact CD1-CG 4.48Å; L428-L478 HydrophobicContact CG-CD2 4.28Å
429	G	95.9	Very high	92.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.1	-168.6	176.1	0	0	0	0	0	113	F436 M476 V477	G429-F436 VanDerWaalsContact CA-CD1 3.49Å; G429-M476 CarbonylContact O-C 3.54Å; G429-M476 WeakPolarHBondContact O-CA 3.37Å; G429-M476 WeakPolarHBondContact O-CB 3.44Å; G429-V477 PolarHBondContact N-O 2.87Å; G429-V477 VanDerWaalsContact N-O 3.12Å; G429-V477 VanDerWaalsContact O-CG2 3.27Å; G429-V477 WeakPolarHBondContact O-CG2 3.44Å; G429-V477 PolarHBondContact O-N 3.33Å
430	P	95.8	Very high	92.9	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.27	C	S	.	.			cis	-80.1	145.2	-3.5	28.5	-28.5	0	0	0	112.5	D435 F436 R473 M476 A487 P550 F552	P430-D435 WeakPolarHBondContact CA-O 3.37Å; P430-F436 HydrophobicContact CB-CE2 3.94Å; P430-F436 HydrophobicContact CB-CZ 3.94Å; P430-F436 HydrophobicContact CG-CZ 4.24Å; P430-R473 PolarHBondContact O-NE 3.22Å; P430-R473 PolarHBondContact O-NH2 3.37Å; P430-M476 WeakPolarHBondContact O-CE 3.14Å; P430-A487 HydrophobicContact CB-CB 3.65Å; P430-A487 HydrophobicContact CG-CB 3.89Å; P430-P550 WeakPolarHBondContact CG-O 3.28Å; P430-F552 HydrophobicContact CG-CB 4.35Å
431	N	92.6	Very high	93.1	Very high	29 Å²	29	54 Å²	54	16%	0.155	27%	0.271	C	S	.	.			trans	-68.8	-172.2	165.4	71.6	4.4	0	0	0	110.9	Q433 G434 D435 F470 M476	N431-Q433 PolarHBondContact O-N 3.41Å; N431-Q433 WeakPolarHBondContact OD1-CA 3.34Å; N431-Q433 WeakPolarHBondContact OD1-CB 3.48Å; N431-Q433 PolarHBondContact OD1-N 3.47Å; N431-G434 PolarHBondContact O-N 3.32Å; N431-G434 PolarHBondContact OD1-N 3.3Å; N431-D435 PolarHBondContact N-O 3.48Å; N431-D435 PolarHBondContact ND2-OD2 3.25Å; N431-D435 PolarHBondContact OD1-N 2.95Å; N431-F470 HydrophobicContact CB-CE2 3.86Å; N431-F470 HydrophobicContact CB-CZ 3.83Å; N431-M476 HydrophobicContact CB-CE 4.24Å
432	Q	91.2	Very high	93.4	Very high	122 Å²	122	53.5 Å²	53.5	57%	0.57	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-24.2	178.5	-66.3	179.9	2.4	0	0	113.5	P550	Q432-P550 WeakPolarHBondContact O-CD 3.4Å
433	Q	89.9	Confident	93.7	Very high	156 Å²	156	51.6 Å²	51.6	73%	0.729	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-14.9	179.9	-65	178.5	-8.7	0	0	112.9	N431 D435	N431-Q433 PolarHBondContact O-N 3.41Å; N431-Q433 WeakPolarHBondContact OD1-CA 3.34Å; N431-Q433 WeakPolarHBondContact OD1-CB 3.48Å; N431-Q433 PolarHBondContact OD1-N 3.47Å; Q433-D435 PolarHBondContact OE1-OD2 2.89Å
434	G	90.3	Very high	93.7	Very high	13 Å²	13	49.7 Å²	49.7	13%	0.134	25%	0.248	C	C	.	.	S	Bend	trans	102.7	-0.1	-175.6	0	0	0	0	0	114.9	N431 P550	N431-G434 PolarHBondContact O-N 3.32Å; N431-G434 PolarHBondContact OD1-N 3.3Å; G434-P550 VanDerWaalsContact CA-CG 3.48Å
435	D	92.4	Very high	93.6	Very high	84 Å²	84	51.8 Å²	51.8	45%	0.449	26%	0.256	S	S	.	.			trans	-83.6	157.4	-175	-51.7	-52.6	0	0	0	113.1	P430 N431 Q433	P430-D435 WeakPolarHBondContact CA-O 3.37Å; N431-D435 PolarHBondContact N-O 3.48Å; N431-D435 PolarHBondContact ND2-OD2 3.25Å; N431-D435 PolarHBondContact OD1-N 2.95Å; Q433-D435 PolarHBondContact OE1-OD2 2.89Å
436	F	94.3	Very high	93.1	Very high	44 Å²	44	45.7 Å²	45.7	19%	0.193	23%	0.233	C	C	.	.			trans	-118.8	136.6	177.1	-69.6	-101.1	0	0	0	110.7	L427 L428 G429 P430 V477 P485 A487 F552	L427-F436 HydrophobicContact CB-CB 4.23Å; L427-F436 HydrophobicContact CB-CD1 4.36Å; L428-F436 CarbonylContact O-C 3.55Å; L428-F436 VanDerWaalsContact O-CA 3.3Å; L428-F436 WeakPolarHBondContact O-CA 3.46Å; G429-F436 VanDerWaalsContact CA-CD1 3.49Å; P430-F436 HydrophobicContact CB-CE2 3.94Å; P430-F436 HydrophobicContact CB-CZ 3.94Å; P430-F436 HydrophobicContact CG-CZ 4.24Å; F436-V477 HydrophobicContact CE1-CG2 4Å; F436-P485 HydrophobicContact CD1-CB 4.34Å; F436-P485 HydrophobicContact CD1-CG 3.82Å; F436-P485 HydrophobicContact CD2-CB 4.42Å; F436-P485 HydrophobicContact CD2-CG 3.93Å; F436-P485 HydrophobicContact CE1-CB 3.87Å; F436-P485 HydrophobicContact CE1-CG 3.88Å; F436-P485 HydrophobicContact CE2-CB 3.97Å; F436-P485 HydrophobicContact CE2-CG 3.99Å; F436-P485 HydrophobicContact CG-CG 3.86Å; F436-P485 HydrophobicContact CZ-CB 3.68Å; F436-P485 HydrophobicContact CZ-CG 3.97Å; F436-A487 HydrophobicContact CE2-CB 4.38Å; F436-F552 HydrophobicContact CZ-CB 4.35Å; F436-F552 HydrophobicContact CZ-CD2 4.32Å
437	K	94.2	Very high	92.3	Very high	68 Å²	68	47 Å²	47	30%	0.296	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	135.3	177.3	179.4	166.7	-178.7	160.7	0	111	L427 L428 V439 L467 F470	L427-K437 CarbonylContact C-O 3.48Å; L427-K437 WeakPolarHBondContact CA-O 3.4Å; L428-K437 PolarHBondContact N-O 2.85Å; L428-K437 PolarHBondContact O-N 3.07Å; K437-V439 HydrophobicContact CG-CG1 4.34Å; K437-V439 PolarHBondContact O-N 2.9Å; K437-L467 VanDerWaalsContact NZ-C 3.31Å; K437-L467 PolarHBondContact NZ-O 2.76Å; K437-F470 HydrophobicContact CB-CD2 3.52Å; K437-F470 HydrophobicContact CB-CE2 3.53Å; K437-F470 HydrophobicContact CB-CG 4.05Å; K437-F470 HydrophobicContact CB-CZ 4.07Å; K437-F470 HydrophobicContact CD-CB 3.55Å; K437-F470 HydrophobicContact CD-CD2 3.75Å; K437-F470 HydrophobicContact CD-CG 3.73Å; K437-F470 HydrophobicContact CG-CD2 4.27Å
438	S	95	Very high	91.4	Very high	59 Å²	59	54.1 Å²	54.1	41%	0.413	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	127.9	170.1	163.4	0	0	0	0	110.9	L426 R481	L426-S438 CarbonylContact O-C 3.5Å; L426-S438 WeakPolarHBondContact O-CA 3.38Å; S438-R481 PolarHBondContact OG-NH2 3.23Å
439	V	95.8	Very high	90.4	Very high	6 Å²	6	54.8 Å²	54.8	4%	0.036	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	166.6	177.4	-60.3	0	0	0	0	111.5	R425 L426 L428 K437 I464 L467 L478	R425-V439 CarbonylContact C-O 3.56Å; R425-V439 WeakPolarHBondContact CA-O 3.3Å; L426-V439 PolarHBondContact N-O 3.21Å; L426-V439 PolarHBondContact O-N 2.93Å; L428-V439 HydrophobicContact CB-CG1 3.88Å; L428-V439 HydrophobicContact CB-CG2 3.81Å; L428-V439 HydrophobicContact CD2-CG1 3.89Å; K437-V439 HydrophobicContact CG-CG1 4.34Å; K437-V439 PolarHBondContact O-N 2.9Å; V439-I464 HydrophobicContact CB-CG2 3.51Å; V439-I464 HydrophobicContact CG1-CG2 3.87Å; V439-I464 HydrophobicContact CG2-CG2 3.76Å; V439-L467 HydrophobicContact CG1-CD2 3.57Å; V439-L478 HydrophobicContact CG2-CD2 3.76Å
440	V	95.8	Very high	89.7	Confident	55 Å²	55	58.9 Å²	58.9	33%	0.333	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	136	175.6	-172.8	0	0	0	0	109.3	D424 R425 K442 G465	D424-V440 CarbonylContact O-C 3.5Å; D424-V440 WeakPolarHBondContact O-CA 3.4Å; R425-V440 HydrophobicContact CG-CG2 4.13Å; V440-K442 PolarHBondContact O-N 3.26Å; V440-G465 PolarHBondContact O-N 2.87Å
441	V	94.8	Very high	88.7	Confident	2 Å²	2	60.2 Å²	60.2	1%	0.012	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	116.2	170.5	175.9	0	0	0	0	108.7	L420 G423 D424 L426 M444 V462	L420-V441 HydrophobicContact CD1-CG2 3.81Å; G423-V441 VanDerWaalsContact CA-O 3.28Å; G423-V441 WeakPolarHBondContact CA-O 3.37Å; G423-V441 PolarHBondContact N-O 2.87Å; D424-V441 HydrophobicContact CB-CG2 4.24Å; D424-V441 PolarHBondContact O-N 3.46Å; L426-V441 HydrophobicContact CD1-CG2 4.04Å; V441-M444 HydrophobicContact CG1-CE 4.49Å; V441-M444 HydrophobicContact CG1-CG 3.79Å; V441-M444 HydrophobicContact CG1-SD 3.94Å; V441-V462 HydrophobicContact CB-CG1 4.46Å; V441-V462 HydrophobicContact CG1-CG1 3.77Å; V441-V462 HydrophobicContact CG2-CG1 4.18Å
442	K	93.6	Very high	88.1	Confident	111 Å²	111	63.9 Å²	63.9	48%	0.483	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-50.4	-179.3	-79.9	-179.2	165	172.6	0	112.6	E422 V440 S463	E422-K442 WeakPolarHBondContact CG-O 3.27Å; V440-K442 PolarHBondContact O-N 3.26Å; K442-S463 PolarHBondContact N-O 3.41Å
443	S	91.2	Very high	87.6	Confident	48 Å²	48	60.2 Å²	60.2	34%	0.336	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	160.7	-178.8	63.8	0	0	0	0	109.8	S463	S443-S463 PolarHBondContact O-N 3.3Å; S443-S463 VanDerWaalsContact OG-CB 3.3Å; S443-S463 WeakPolarHBondContact OG-CB 3.42Å
444	M	89.4	Confident	87.3	Confident	5 Å²	5	52.8 Å²	52.8	3%	0.025	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	154.3	179.7	-54.6	175.2	-73.5	0	0	111.3	L420 E422 V441 C451 R452 V454 T461 V462	L420-M444 HydrophobicContact CB-SD 4.28Å; L420-M444 HydrophobicContact CD2-SD 3.47Å; L420-M444 WeakPolarHBondContact CD2-SD 3.15Å; L420-M444 HydrophobicContact CG-SD 3.53Å; L420-M444 VanDerWaalsContact CG-SD 3.53Å; E422-M444 HydrophobicContact CB-CE 4.37Å; E422-M444 VanDerWaalsContact N-CE 3.35Å; V441-M444 HydrophobicContact CG1-CE 4.49Å; V441-M444 HydrophobicContact CG1-CG 3.79Å; V441-M444 HydrophobicContact CG1-SD 3.94Å; M444-C451 WeakPolarHBondContact CB-O 3.48Å; M444-C451 PolarHBondContact O-N 3.25Å; M444-C451 VanDerWaalsContact O-O 3.14Å; M444-R452 WeakPolarHBondContact CE-O 3.26Å; M444-V454 HydrophobicContact CB-CG2 4.38Å; M444-V454 HydrophobicContact CE-CG2 4.37Å; M444-V454 HydrophobicContact SD-CG2 3.84Å; M444-T461 CarbonylContact C-O 3.52Å; M444-T461 WeakPolarHBondContact CA-O 3.27Å; M444-V462 HydrophobicContact CG-CB 4.36Å; M444-V462 HydrophobicContact CG-CG1 4.08Å; M444-V462 HydrophobicContact CG-CG2 4.04Å; M444-V462 HydrophobicContact SD-CG2 4.4Å
445	Q	88.1	Confident	87.1	Confident	86 Å²	86	53.8 Å²	53.8	40%	0.402	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	143.8	170.5	-53.9	-179	-10.9	0	0	110.6	V449 A460 T461	Q445-V449 CarbonylContact C-O 3.59Å; Q445-V449 VanDerWaalsContact CA-O 3.26Å; Q445-V449 WeakPolarHBondContact CA-O 3.49Å; Q445-A460 CarbonylContact O-C 3.41Å; Q445-A460 WeakPolarHBondContact O-CA 3.35Å; Q445-A460 WeakPolarHBondContact O-CB 3.42Å; Q445-T461 WeakPolarHBondContact CB-OG1 3.31Å; Q445-T461 PolarHBondContact N-O 2.73Å; Q445-T461 PolarHBondContact O-N 2.86Å; Q445-T461 PolarHBondContact O-OG1 3.02Å
446	R	85.2	Confident	86.8	Confident	30 Å²	30	50.6 Å²	50.6	11%	0.113	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	124.7	174.5	-176.1	-179.1	76.5	137.3	8.1	108.1	S143 R448 V449 Q458	S143-R446 PolarHBondContact OG-NH1 3.04Å; R446-R448 PolarHBondContact O-N 2.75Å; R446-V449 PolarHBondContact N-O 3.09Å; R446-V449 WeakPolarHBondContact O-CB 3.28Å; R446-V449 PolarHBondContact O-N 2.79Å; R446-Q458 VanDerWaalsContact NH1-NE2 3.15Å
447	I	79.8	Confident	86.3	Confident	37 Å²	37	49.9 Å²	49.9	19%	0.19	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	43.6	-177.8	-51.5	162.9	0	0	0	109.9	I198 D215 V225 V449	I198-I447 HydrophobicContact CD1-CG2 3.96Å; I198-I447 HydrophobicContact CG2-CD1 4.48Å; I198-I447 HydrophobicContact CG2-CG2 3.62Å; D215-I447 HydrophobicContact CB-CG2 4.33Å; V225-I447 HydrophobicContact CG1-CD1 4.39Å; I447-V449 PolarHBondContact O-N 2.92Å
448	R	77.5	Confident	85.9	Confident	181 Å²	181	47.3 Å²	47.3	68%	0.683	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.9	4	-177.9	-51.7	172.3	174.2	-174.8	-4.1	115.4	D215 R446	D215-R448 IonicContact OD2-NH1 3.46Å; R446-R448 PolarHBondContact O-N 2.75Å
449	V	76.4	Confident	85.8	Confident	14 Å²	14	46.3 Å²	46.3	9%	0.085	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	128.9	174.6	-175.4	0	0	0	0	109.4	E216 Q445 R446 I447 C451	E216-V449 HydrophobicContact CB-CG2 3.78Å; E216-V449 HydrophobicContact CG-CG1 4.35Å; E216-V449 HydrophobicContact CG-CG2 3.81Å; Q445-V449 CarbonylContact C-O 3.59Å; Q445-V449 VanDerWaalsContact CA-O 3.26Å; Q445-V449 WeakPolarHBondContact CA-O 3.49Å; R446-V449 PolarHBondContact N-O 3.09Å; R446-V449 WeakPolarHBondContact O-CB 3.28Å; R446-V449 PolarHBondContact O-N 2.79Å; I447-V449 PolarHBondContact O-N 2.92Å; V449-C451 PolarHBondContact O-N 2.86Å
450	P	79.9	Confident	85.6	Confident	87 Å²	87	46.1 Å²	46.1	57%	0.565	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-56.6	135.3	172.7	-24.2	34.3	0	0	0	112.2
451	C	76.4	Confident	85.5	Confident	28 Å²	28	45.4 Å²	45.4	19%	0.189	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	145	177.6	61.7	0	0	0	0	111.4	M444 V449	M444-C451 WeakPolarHBondContact CB-O 3.48Å; M444-C451 PolarHBondContact O-N 3.25Å; M444-C451 VanDerWaalsContact O-O 3.14Å; V449-C451 PolarHBondContact O-N 2.86Å
452	R	78.6	Confident	85.6	Confident	106 Å²	106	45.3 Å²	45.3	40%	0.4	23%	0.227	S	C	.	.	S	Bend	trans	-92.1	-10	177.9	-58	-159.7	163.9	150.1	4.8	114	R421 E422 M444	R421-R452 WeakPolarHBondContact CA-O 3.4Å; E422-R452 HydrophobicContact CB-CB 4.36Å; E422-R452 PolarHBondContact N-O 3.3Å; E422-R452 VanDerWaalsContact OE2-CG 3.29Å; E422-R452 WeakPolarHBondContact OE2-CG 3.47Å; E422-R452 IonicContact OE2-NE 3.55Å; M444-R452 WeakPolarHBondContact CE-O 3.26Å
453	V	80.4	Confident	85.7	Confident	45 Å²	45	40.2 Å²	40.2	27%	0.273	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	135.7	-175.6	-176.3	0	0	0	0	109.6	V419 L420 R421	V419-V453 HydrophobicContact CG1-CG1 3.41Å; V419-V453 VanDerWaalsContact CG1-CG1 3.41Å; L420-V453 CarbonylContact O-C 3.55Å; L420-V453 WeakPolarHBondContact O-CA 3.4Å; R421-V453 HydrophobicContact CG-CG2 4.33Å
454	V	85.3	Confident	85.9	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	134.9	171.1	-178.4	0	0	0	0	107.8	L415 V419 L420 M444 Q458 A460	L415-V454 HydrophobicContact CB-CG1 4.19Å; L415-V454 HydrophobicContact CD2-CB 4.24Å; L415-V454 HydrophobicContact CD2-CG1 4Å; L415-V454 WeakPolarHBondContact CD2-O 3.46Å; V419-V454 CarbonylContact C-O 3.53Å; V419-V454 WeakPolarHBondContact CA-O 3.48Å; L420-V454 HydrophobicContact CB-CB 4.28Å; L420-V454 PolarHBondContact N-O 3.39Å; L420-V454 PolarHBondContact O-N 2.8Å; M444-V454 HydrophobicContact CB-CG2 4.38Å; M444-V454 HydrophobicContact CE-CG2 4.37Å; M444-V454 HydrophobicContact SD-CG2 3.84Å; V454-Q458 HydrophobicContact CG1-CB 3.78Å; V454-A460 HydrophobicContact CB-CB 4.4Å; V454-A460 HydrophobicContact CG1-CB 3.91Å; V454-A460 HydrophobicContact CG2-CB 3.64Å
455	Q	84.6	Confident	85.9	Confident	34 Å²	34	38.2 Å²	38.2	16%	0.159	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	158.9	-180	-67.6	175.8	-25.9	0	0	111.4	L110 L415 V419 Q458	L110-Q455 PolarHBondContact O-NE2 3.32Å; L415-Q455 VanDerWaalsContact CD2-C 3.43Å; V419-Q455 HydrophobicContact CG2-CG 4.34Å; Q455-Q458 WeakPolarHBondContact O-CB 3.35Å; Q455-Q458 VanDerWaalsContact O-CG 3.32Å; Q455-Q458 WeakPolarHBondContact O-CG 3.49Å; Q455-Q458 PolarHBondContact O-N 2.8Å; Q455-Q458 VanDerWaalsContact O-N 3.13Å
456	A	86.2	Confident	85.9	Confident	17 Å²	17	40.5 Å²	40.5	14%	0.14	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	146.9	175.5	0	0	0	0	0	112.3	N389 L415 G418 Q458	N389-A456 HydrophobicContact CB-CB 3.91Å; L415-A456 CarbonylContact O-C 3.58Å; L415-A456 WeakPolarHBondContact O-CA 3.38Å; G418-A456 PolarHBondContact O-N 3.14Å; A456-Q458 PolarHBondContact O-N 3.15Å
457	A	84.2	Confident	86	Confident	29 Å²	29	39.1 Å²	39.1	24%	0.24	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	68	7.6	-171	0	0	0	0	0	116.2	Q145 L415	Q145-A457 PolarHBondContact NE2-O 3.07Å; Q145-A457 VanDerWaalsContact NE2-O 3.08Å; L415-A457 PolarHBondContact O-N 3.29Å
458	Q	86.8	Confident	86.4	Confident	14 Å²	14	39.6 Å²	39.6	7%	0.065	22%	0.217	C	C	.	.			trans	-101.6	142	175.3	-58.9	179.9	-18.8	0	0	112.2	L415 R446 V454 Q455 A456	L415-Q458 PolarHBondContact N-O 3.5Å; R446-Q458 VanDerWaalsContact NH1-NE2 3.15Å; V454-Q458 HydrophobicContact CG1-CB 3.78Å; Q455-Q458 WeakPolarHBondContact O-CB 3.35Å; Q455-Q458 VanDerWaalsContact O-CG 3.32Å; Q455-Q458 WeakPolarHBondContact O-CG 3.49Å; Q455-Q458 PolarHBondContact O-N 2.8Å; Q455-Q458 VanDerWaalsContact O-N 3.13Å; A456-Q458 PolarHBondContact O-N 3.15Å
459	F	90.9	Very high	86.8	Confident	38 Å²	38	38.9 Å²	38.9	17%	0.167	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	135.3	173.3	-166.5	-93.4	0	0	0	110.2	Y248 S412 G413 L414	Y248-F459 AromaticContact CD1-CD2 3.68Å; Y248-F459 HydrophobicContact CD1-CD2 3.68Å; Y248-F459 AromaticContact CD1-CE2 3.62Å; Y248-F459 HydrophobicContact CD1-CE2 3.62Å; Y248-F459 HydrophobicContact CD1-CG 4.34Å; Y248-F459 HydrophobicContact CD1-CZ 4.21Å; Y248-F459 HydrophobicContact CE1-CD1 4.38Å; Y248-F459 AromaticContact CE1-CD2 3.62Å; Y248-F459 HydrophobicContact CE1-CD2 3.62Å; Y248-F459 AromaticContact CE1-CE1 3.95Å; Y248-F459 HydrophobicContact CE1-CE1 3.95Å; Y248-F459 AromaticContact CE1-CE2 3.11Å; Y248-F459 HydrophobicContact CE1-CE2 3.11Å; Y248-F459 HydrophobicContact CE1-CG 4.22Å; Y248-F459 AromaticContact CE1-CZ 3.29Å; Y248-F459 HydrophobicContact CE1-CZ 3.29Å; Y248-F459 AromaticContact CZ-CE2 3.73Å; Y248-F459 AromaticContact CZ-CZ 3.77Å; S412-F459 WeakPolarHBondContact OG-CE1 3.37Å; S412-F459 WeakPolarHBondContact OG-CZ 3.38Å; G413-F459 WeakPolarHBondContact O-CA 3.5Å; G413-F459 WeakPolarHBondContact O-CD2 3.4Å; L414-F459 HydrophobicContact CB-CD2 4.3Å
460	A	92.1	Very high	87.5	Confident	2 Å²	2	39.5 Å²	39.5	2%	0.017	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	160.1	-178.6	0	0	0	0	0	111.9	F396 G413 Q445 V454	F396-A460 HydrophobicContact CE2-CB 4.42Å; F396-A460 WeakPolarHBondContact CZ-O 3.2Å; G413-A460 PolarHBondContact N-O 2.8Å; G413-A460 PolarHBondContact O-N 2.84Å; Q445-A460 CarbonylContact O-C 3.41Å; Q445-A460 WeakPolarHBondContact O-CA 3.35Å; Q445-A460 WeakPolarHBondContact O-CB 3.42Å; V454-A460 HydrophobicContact CB-CB 4.4Å; V454-A460 HydrophobicContact CG1-CB 3.91Å; V454-A460 HydrophobicContact CG2-CB 3.64Å
461	T	94.9	Very high	88	Confident	39 Å²	39	42.1 Å²	42.1	24%	0.239	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	139.6	163.1	56.7	0	0	0	0	109.2	V411 M444 Q445	V411-T461 CarbonylContact O-C 3.59Å; V411-T461 VanDerWaalsContact O-CA 3.3Å; V411-T461 WeakPolarHBondContact O-CA 3.41Å; M444-T461 CarbonylContact C-O 3.52Å; M444-T461 WeakPolarHBondContact CA-O 3.27Å; Q445-T461 WeakPolarHBondContact CB-OG1 3.31Å; Q445-T461 PolarHBondContact N-O 2.73Å; Q445-T461 PolarHBondContact O-N 2.86Å; Q445-T461 PolarHBondContact O-OG1 3.02Å
462	V	96.4	Very high	88.9	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	118.2	-170.4	-177.9	0	0	0	0	108.1	F396 V410 V411 L420 V441 M444 L478	F396-V462 HydrophobicContact CE1-CG2 4.21Å; F396-V462 HydrophobicContact CE2-CG2 4.01Å; F396-V462 HydrophobicContact CZ-CG2 3.72Å; V410-V462 CarbonylContact C-O 3.54Å; V410-V462 WeakPolarHBondContact CA-O 3.08Å; V411-V462 HydrophobicContact CG2-CB 3.93Å; V411-V462 PolarHBondContact N-O 3.18Å; V411-V462 PolarHBondContact O-N 3Å; L420-V462 HydrophobicContact CD2-CG1 4.4Å; L420-V462 HydrophobicContact CD2-CG2 3.68Å; V441-V462 HydrophobicContact CB-CG1 4.46Å; V441-V462 HydrophobicContact CG1-CG1 3.77Å; V441-V462 HydrophobicContact CG2-CG1 4.18Å; M444-V462 HydrophobicContact CG-CB 4.36Å; M444-V462 HydrophobicContact CG-CG1 4.08Å; M444-V462 HydrophobicContact CG-CG2 4.04Å; M444-V462 HydrophobicContact SD-CG2 4.4Å; V462-L478 HydrophobicContact CG1-CD1 4.37Å
463	S	96.1	Very high	89.6	Confident	5 Å²	5	39.2 Å²	39.2	4%	0.035	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	128.6	168.7	177.1	0	0	0	0	109.4	V407 H409 K442 S443	V407-S463 WeakPolarHBondContact CG1-OG 3.4Å; H409-S463 WeakPolarHBondContact O-CA 3.46Å; K442-S463 PolarHBondContact N-O 3.41Å; S443-S463 PolarHBondContact O-N 3.3Å; S443-S463 VanDerWaalsContact OG-CB 3.3Å; S443-S463 WeakPolarHBondContact OG-CB 3.42Å
464	I	94.7	Very high	90.3	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.015	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	147.6	179.7	-54.5	-178.6	0	0	0	109.3	H409 V411 L428 V439 L467 L478	H409-I464 PolarHBondContact O-N 2.61Å; V411-I464 HydrophobicContact CB-CD1 4.2Å; V411-I464 HydrophobicContact CG1-CD1 3.49Å; V411-I464 VanDerWaalsContact CG1-CD1 3.49Å; V411-I464 HydrophobicContact CG1-CG1 4.37Å; V411-I464 HydrophobicContact CG2-CD1 3.64Å; V411-I464 HydrophobicContact CG2-CG1 4.06Å; L428-I464 HydrophobicContact CD1-CD1 4.33Å; L428-I464 HydrophobicContact CD2-CD1 4.37Å; V439-I464 HydrophobicContact CB-CG2 3.51Å; V439-I464 HydrophobicContact CG1-CG2 3.87Å; V439-I464 HydrophobicContact CG2-CG2 3.76Å; I464-L467 HydrophobicContact CG2-CD2 3.93Å; I464-L478 HydrophobicContact CD1-CD1 4.45Å; I464-L478 HydrophobicContact CD1-CD2 4.1Å
465	G	89.6	Confident	90.6	Very high	8 Å²	8	42.6 Å²	42.6	8%	0.082	23%	0.232	C	C	.	.			trans	-56.3	177.7	167.9	0	0	0	0	0	114.2	V440 L467	V440-G465 PolarHBondContact O-N 2.87Å; G465-L467 PolarHBondContact O-N 2.95Å
466	D	87.2	Confident	91.2	Very high	134 Å²	134	41 Å²	41	72%	0.717	22%	0.224	S	C	*	.			trans	-57.8	133.3	-178.4	-175.8	14.2	0	0	0	111.9	G468	D466-G468 PolarHBondContact OD1-N 3.16Å
467	L	88.9	Confident	91.8	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	22%	0.218	C	C	.	.			trans	-104.1	-9.6	-176.8	-64.6	-176.5	0	0	0	112.8	H409 L428 K437 V439 I464 G465 D469 F470 L472	H409-L467 HydrophobicContact CB-CD1 4.03Å; L428-L467 HydrophobicContact CD2-CD1 4.44Å; L428-L467 HydrophobicContact CD2-CD2 3.65Å; K437-L467 VanDerWaalsContact NZ-C 3.31Å; K437-L467 PolarHBondContact NZ-O 2.76Å; V439-L467 HydrophobicContact CG1-CD2 3.57Å; I464-L467 HydrophobicContact CG2-CD2 3.93Å; G465-L467 PolarHBondContact O-N 2.95Å; L467-D469 PolarHBondContact O-N 2.83Å; L467-F470 HydrophobicContact CB-CB 4.35Å; L467-F470 VanDerWaalsContact O-CB 3.23Å; L467-F470 WeakPolarHBondContact O-CB 3.48Å; L467-F470 PolarHBondContact O-N 3.24Å; L467-L472 HydrophobicContact CD1-CD1 3.43Å; L467-L472 VanDerWaalsContact CD1-CD1 3.43Å; L467-L472 HydrophobicContact CD1-CD2 4.13Å; L467-L472 HydrophobicContact CD1-CG 3.46Å; L467-L472 VanDerWaalsContact CD1-CG 3.46Å
468	G	87.9	Confident	92.4	Very high	47 Å²	47	38.9 Å²	38.9	49%	0.485	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.9	-127.6	-169.5	0	0	0	0	0	110.6	D466 F470	D466-G468 PolarHBondContact OD1-N 3.16Å; G468-F470 VanDerWaalsContact C-N 3.28Å; G468-F470 PolarHBondContact O-N 2.85Å
469	D	85.7	Confident	92.8	Very high	165 Å²	165	38.2 Å²	38.2	88%	0.882	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	4.7	180	-54.7	-42.1	0	0	0	114.8	L467 Q471	L467-D469 PolarHBondContact O-N 2.83Å; D469-Q471 PolarHBondContact O-N 3.07Å
470	F	90.7	Very high	92.9	Very high	28 Å²	28	36.8 Å²	36.8	12%	0.123	20%	0.199	C	C	.	.			trans	-75.5	109	-177.8	-167.9	-82.6	0	0	0	111.2	L428 N431 K437 L467 G468 L472 M476	L428-F470 HydrophobicContact CD2-CD1 3.91Å; L428-F470 HydrophobicContact CD2-CE1 3.74Å; L428-F470 HydrophobicContact CG-CE1 3.84Å; L428-F470 HydrophobicContact CG-CZ 4.49Å; L428-F470 WeakPolarHBondContact O-CZ 3.37Å; N431-F470 HydrophobicContact CB-CE2 3.86Å; N431-F470 HydrophobicContact CB-CZ 3.83Å; K437-F470 HydrophobicContact CB-CD2 3.52Å; K437-F470 HydrophobicContact CB-CE2 3.53Å; K437-F470 HydrophobicContact CB-CG 4.05Å; K437-F470 HydrophobicContact CB-CZ 4.07Å; K437-F470 HydrophobicContact CD-CB 3.55Å; K437-F470 HydrophobicContact CD-CD2 3.75Å; K437-F470 HydrophobicContact CD-CG 3.73Å; K437-F470 HydrophobicContact CG-CD2 4.27Å; L467-F470 HydrophobicContact CB-CB 4.35Å; L467-F470 VanDerWaalsContact O-CB 3.23Å; L467-F470 WeakPolarHBondContact O-CB 3.48Å; L467-F470 PolarHBondContact O-N 3.24Å; G468-F470 VanDerWaalsContact C-N 3.28Å; G468-F470 PolarHBondContact O-N 2.85Å; F470-L472 PolarHBondContact O-N 2.86Å; F470-M476 HydrophobicContact CE1-CE 3.71Å; F470-M476 HydrophobicContact CE1-SD 4.31Å; F470-M476 HydrophobicContact CZ-CE 4.04Å
471	Q	91.2	Very high	92.7	Very high	142 Å²	142	42.3 Å²	42.3	66%	0.664	22%	0.22	S	C	*	.			trans	-77.3	121.2	-176.9	-63.3	-178.2	3.8	0	0	112.2	D469 M476	D469-Q471 PolarHBondContact O-N 3.07Å; Q471-M476 WeakPolarHBondContact O-CE 3.29Å
472	L	93.9	Very high	92.2	Very high	34 Å²	34	44.5 Å²	44.5	18%	0.178	24%	0.237	C	C	.	.			trans	-75	143.3	171.3	-77.5	171.9	0	0	0	111.9	V401 H409 V411 L428 L467 F470 M476	V401-L472 HydrophobicContact CG1-CB 3.65Å; V401-L472 HydrophobicContact CG1-CD1 3.77Å; V401-L472 HydrophobicContact CG1-CG 4.35Å; V401-L472 HydrophobicContact CG2-CB 4.12Å; H409-L472 HydrophobicContact CB-CD1 3.89Å; V411-L472 HydrophobicContact CG1-CD1 3.9Å; V411-L472 HydrophobicContact CG1-CD2 3.97Å; L428-L472 HydrophobicContact CD1-CD2 3.73Å; L428-L472 HydrophobicContact CD2-CD2 3.5Å; L428-L472 HydrophobicContact CD2-CG 4.49Å; L428-L472 HydrophobicContact CG-CD2 4.12Å; L467-L472 HydrophobicContact CD1-CD1 3.43Å; L467-L472 VanDerWaalsContact CD1-CD1 3.43Å; L467-L472 HydrophobicContact CD1-CD2 4.13Å; L467-L472 HydrophobicContact CD1-CG 3.46Å; L467-L472 VanDerWaalsContact CD1-CG 3.46Å; F470-L472 PolarHBondContact O-N 2.86Å; L472-M476 HydrophobicContact CD2-SD 4.19Å
473	R	94.4	Very high	91.5	Very high	39 Å²	39	47.8 Å²	47.8	15%	0.147	25%	0.249	C	C	.	.			trans	-144.2	162.3	170.3	65	171.8	-176.6	92.2	-11.2	111.4	P430 M476 Q549 E551	P430-R473 PolarHBondContact O-NE 3.22Å; P430-R473 PolarHBondContact O-NH2 3.37Å; R473-M476 HydrophobicContact CG-CE 3.75Å; R473-M476 HydrophobicContact CG-CG 3.72Å; R473-M476 HydrophobicContact CG-SD 3.76Å; R473-M476 PolarHBondContact N-SD 3.22Å; R473-M476 VanDerWaalsContact N-SD 3.37Å; R473-M476 WeakPolarHBondContact O-CG 3.29Å; R473-Q549 VanDerWaalsContact CZ-CD 3.4Å; R473-Q549 VanDerWaalsContact NE-NE2 3.19Å; R473-E551 IonicContact CZ-OE1 3.65Å; R473-E551 IonicContact CZ-OE2 2.8Å; R473-E551 VanDerWaalsContact CZ-OE2 3.3Å; R473-E551 IonicContact NH1-OE1 3.43Å; R473-E551 PolarHBondContact NH1-OE1 3.09Å; R473-E551 IonicContact NH1-OE2 3.41Å; R473-E551 PolarHBondContact NH1-OE2 2.89Å; R473-E551 IonicContact NH2-OE1 3.93Å; R473-E551 IonicContact NH2-OE2 3.58Å; R473-E551 PolarHBondContact NH2-OE2 2.74Å
474	K	93.5	Very high	90.9	Very high	115 Å²	115	57 Å²	57	50%	0.5	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	148.4	167.7	-54.3	-172.2	176.7	-138.9	0	110.7	D399 D400 M476	D399-K474 WeakPolarHBondContact O-CD 3.17Å; D399-K474 VanDerWaalsContact O-CG 3.24Å; D399-K474 WeakPolarHBondContact O-CG 3.26Å; D400-K474 WeakPolarHBondContact OD1-CE 3.33Å; D400-K474 IonicContact OD1-NZ 2.75Å; D400-K474 PolarHBondContact OD1-NZ 3.18Å; D400-K474 IonicContact OD2-NZ 2.79Å; D400-K474 PolarHBondContact OD2-NZ 2.95Å; K474-M476 VanDerWaalsContact C-N 3.32Å
475	G	93.6	Very high	90.6	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.01	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.9	-3.7	-177.8	0	0	0	0	0	114.6	I398 N517	I398-G475 PolarHBondContact O-N 2.89Å; G475-N517 WeakPolarHBondContact CA-ND2 3.24Å
476	M	97.1	Very high	90.4	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.315	C	S	.	.			trans	-73.3	171.3	170.6	-75.8	175.4	157.6	0	0	111.7	I398 L428 G429 P430 N431 F470 Q471 L472 R473 K474 N517	I398-M476 HydrophobicContact CB-CB 4.42Å; I398-M476 VanDerWaalsContact CB-O 3.29Å; I398-M476 WeakPolarHBondContact CB-O 3.12Å; I398-M476 HydrophobicContact CD1-CB 3.84Å; I398-M476 PolarHBondContact N-O 2.98Å; L428-M476 HydrophobicContact CD1-CB 4.48Å; L428-M476 HydrophobicContact CD1-SD 4.43Å; G429-M476 CarbonylContact O-C 3.54Å; G429-M476 WeakPolarHBondContact O-CA 3.37Å; G429-M476 WeakPolarHBondContact O-CB 3.44Å; P430-M476 WeakPolarHBondContact O-CE 3.14Å; N431-M476 HydrophobicContact CB-CE 4.24Å; F470-M476 HydrophobicContact CE1-CE 3.71Å; F470-M476 HydrophobicContact CE1-SD 4.31Å; F470-M476 HydrophobicContact CZ-CE 4.04Å; Q471-M476 WeakPolarHBondContact O-CE 3.29Å; L472-M476 HydrophobicContact CD2-SD 4.19Å; R473-M476 HydrophobicContact CG-CE 3.75Å; R473-M476 HydrophobicContact CG-CG 3.72Å; R473-M476 HydrophobicContact CG-SD 3.76Å; R473-M476 PolarHBondContact N-SD 3.22Å; R473-M476 VanDerWaalsContact N-SD 3.37Å; R473-M476 WeakPolarHBondContact O-CG 3.29Å; K474-M476 VanDerWaalsContact C-N 3.32Å; M476-N517 PolarHBondContact O-ND2 2.82Å
477	V	96.9	Very high	90.7	Very high	1 Å²	1	56 Å²	56	1%	0.006	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	149.5	178.8	-64.7	0	0	0	0	110.7	F396 Q397 L428 G429 F436 I479 F552	F396-V477 CarbonylContact O-C 3.5Å; F396-V477 WeakPolarHBondContact O-CA 3.29Å; Q397-V477 HydrophobicContact CG-CG1 4.19Å; L428-V477 WeakPolarHBondContact CA-O 3.35Å; G429-V477 PolarHBondContact N-O 2.87Å; G429-V477 VanDerWaalsContact N-O 3.12Å; G429-V477 VanDerWaalsContact O-CG2 3.27Å; G429-V477 WeakPolarHBondContact O-CG2 3.44Å; G429-V477 PolarHBondContact O-N 3.33Å; F436-V477 HydrophobicContact CE1-CG2 4Å; V477-I479 HydrophobicContact CB-CD1 4.15Å; V477-I479 HydrophobicContact CB-CG1 4.03Å; V477-I479 HydrophobicContact CG2-CD1 3.4Å; V477-I479 VanDerWaalsContact CG2-CD1 3.4Å; V477-I479 HydrophobicContact CG2-CG1 3.7Å; V477-F552 HydrophobicContact CB-CD1 4.5Å; V477-F552 HydrophobicContact CG1-CD1 3.99Å; V477-F552 HydrophobicContact CG2-CB 4.07Å; V477-F552 HydrophobicContact CG2-CD1 3.85Å; V477-F552 HydrophobicContact CG2-CG 3.97Å
478	L	97.3	Very high	90.8	Very high	1 Å²	1	56 Å²	56	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	123.6	159.4	-56.2	166.5	0	0	0	108.4	E395 F396 I398 V411 L426 L427 L428 V439 V462 I464	E395-L478 WeakPolarHBondContact CA-O 3.3Å; F396-L478 HydrophobicContact CB-CB 4.05Å; F396-L478 HydrophobicContact CD1-CD1 3.94Å; F396-L478 HydrophobicContact CD1-CG 4.33Å; F396-L478 HydrophobicContact CG-CD1 4.44Å; F396-L478 PolarHBondContact N-O 3.12Å; F396-L478 PolarHBondContact O-N 3.24Å; I398-L478 HydrophobicContact CD1-CG 4.29Å; V411-L478 HydrophobicContact CG2-CD1 4.26Å; L426-L478 HydrophobicContact CB-CB 4.36Å; L426-L478 HydrophobicContact CD1-CB 3.91Å; L427-L478 CarbonylContact O-C 3.41Å; L427-L478 VanDerWaalsContact O-CA 3.31Å; L427-L478 WeakPolarHBondContact O-CA 3.41Å; L428-L478 HydrophobicContact CB-CD2 3.77Å; L428-L478 HydrophobicContact CD1-CD2 3.67Å; L428-L478 HydrophobicContact CD1-CG 4.48Å; L428-L478 HydrophobicContact CG-CD2 4.28Å; V439-L478 HydrophobicContact CG2-CD2 3.76Å; V462-L478 HydrophobicContact CG1-CD1 4.37Å; I464-L478 HydrophobicContact CD1-CD1 4.45Å; I464-L478 HydrophobicContact CD1-CD2 4.1Å
479	I	95.3	Very high	91.2	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	145.2	-176.2	-65.4	179.3	0	0	0	110.9	V394 E395 L427 V477 R483 P485 F552	V394-I479 CarbonylContact O-C 3.47Å; V394-I479 VanDerWaalsContact O-CA 3.3Å; V394-I479 WeakPolarHBondContact O-CA 3.36Å; E395-I479 HydrophobicContact CG-CG1 4.42Å; L427-I479 PolarHBondContact N-O 3.31Å; L427-I479 PolarHBondContact O-N 2.84Å; V477-I479 HydrophobicContact CB-CD1 4.15Å; V477-I479 HydrophobicContact CB-CG1 4.03Å; V477-I479 HydrophobicContact CG2-CD1 3.4Å; V477-I479 VanDerWaalsContact CG2-CD1 3.4Å; V477-I479 HydrophobicContact CG2-CG1 3.7Å; I479-R483 HydrophobicContact CG2-CB 3.67Å; I479-R483 HydrophobicContact CG2-CG 4.14Å; I479-P485 HydrophobicContact CD1-CB 4.01Å; I479-F552 HydrophobicContact CD1-CD1 3.9Å; I479-F552 HydrophobicContact CD1-CD2 4.03Å; I479-F552 HydrophobicContact CD1-CE1 3.5Å; I479-F552 HydrophobicContact CD1-CE2 3.64Å; I479-F552 HydrophobicContact CD1-CG 4.14Å; I479-F552 HydrophobicContact CD1-CZ 3.36Å
480	G	92.9	Very high	91.6	Very high	7 Å²	7	50.5 Å²	50.5	7%	0.072	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	136	170.8	0	0	0	0	0	112.7	V394 S482 R483	V394-G480 PolarHBondContact O-N 2.97Å; G480-S482 PolarHBondContact O-N 2.97Å; G480-S482 VanDerWaalsContact O-N 3.16Å; G480-R483 WeakPolarHBondContact O-CB 3.46Å; G480-R483 PolarHBondContact O-N 3.17Å
481	R	87.8	Confident	91.9	Very high	118 Å²	118	49.1 Å²	49.1	45%	0.445	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-22.3	-177.1	-69.5	173.5	168.8	-157	-3.5	114.8	R425 L427 S438 R483	R425-R481 WeakPolarHBondContact O-CD 3.48Å; R425-R481 WeakPolarHBondContact O-CG 3.2Å; R425-R481 PolarHBondContact O-NE 2.79Å; L427-R481 HydrophobicContact CD2-CG 4.44Å; L427-R481 HydrophobicContact CG-CG 4.15Å; S438-R481 PolarHBondContact OG-NH2 3.23Å; R481-R483 PolarHBondContact O-N 3.01Å
482	S	84.8	Confident	92.1	Very high	85 Å²	85	45.9 Å²	45.9	59%	0.594	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-28.6	174	38	0	0	0	0	112.1	D393 G480	D393-S482 PolarHBondContact OD1-OG 3.49Å; D393-S482 VanDerWaalsContact OD1-OG 3.09Å; D393-S482 WeakPolarHBondContact OD2-CB 3.4Å; D393-S482 PolarHBondContact OD2-OG 3.43Å; G480-S482 PolarHBondContact O-N 2.97Å; G480-S482 VanDerWaalsContact O-N 3.16Å
483	R	81.9	Confident	92.3	Very high	70 Å²	70	44.2 Å²	44.2	26%	0.264	21%	0.208	S	C	.	.	S	Bend	trans	-78.7	142.9	172.2	-66.1	-170.6	158.9	-174.9	-0.7	110	E392 D393 E395 I479 G480 R481 P485	E392-R483 IonicContact OE2-NH2 3.55Å; D393-R483 HydrophobicContact CB-CG 4.1Å; E395-R483 IonicContact OE2-NH1 3.02Å; E395-R483 PolarHBondContact OE2-NH1 3.17Å; E395-R483 VanDerWaalsContact OE2-NH1 3.13Å; I479-R483 HydrophobicContact CG2-CB 3.67Å; I479-R483 HydrophobicContact CG2-CG 4.14Å; G480-R483 WeakPolarHBondContact O-CB 3.46Å; G480-R483 PolarHBondContact O-N 3.17Å; R481-R483 PolarHBondContact O-N 3.01Å; R483-P485 VanDerWaalsContact C-CD 3.43Å; R483-P485 WeakPolarHBondContact O-CD 3.21Å
484	K	83	Confident	92.3	Very high	199 Å²	199	45.1 Å²	45.1	87%	0.865	22%	0.216	S	C	*	.			trans	-99	80.9	166.9	-65.5	-178.9	-179	-180	0	107.9	V486	K484-V486 PolarHBondContact O-N 3.39Å
485	P	88.1	Confident	92.3	Very high	25 Å²	25	40 Å²	40	16%	0.162	19%	0.194	C	C	.	.			trans	-64.8	136.8	-177.2	29.6	-36.4	0	0	0	109.9	L427 F436 I479 R483 F552	L427-P485 HydrophobicContact CD1-CG 4.07Å; F436-P485 HydrophobicContact CD1-CB 4.34Å; F436-P485 HydrophobicContact CD1-CG 3.82Å; F436-P485 HydrophobicContact CD2-CB 4.42Å; F436-P485 HydrophobicContact CD2-CG 3.93Å; F436-P485 HydrophobicContact CE1-CB 3.87Å; F436-P485 HydrophobicContact CE1-CG 3.88Å; F436-P485 HydrophobicContact CE2-CB 3.97Å; F436-P485 HydrophobicContact CE2-CG 3.99Å; F436-P485 HydrophobicContact CG-CG 3.86Å; F436-P485 HydrophobicContact CZ-CB 3.68Å; F436-P485 HydrophobicContact CZ-CG 3.97Å; I479-P485 HydrophobicContact CD1-CB 4.01Å; R483-P485 VanDerWaalsContact C-CD 3.43Å; R483-P485 WeakPolarHBondContact O-CD 3.21Å; P485-F552 HydrophobicContact CB-CD2 3.97Å; P485-F552 HydrophobicContact CB-CE2 3.81Å
486	V	87	Confident	92.2	Very high	80 Å²	80	42.7 Å²	42.7	49%	0.485	21%	0.206	S	C	.	.			trans	-117.2	122.9	177	-179.3	0	0	0	0	107.8	K484 N576	K484-V486 PolarHBondContact O-N 3.39Å; V486-N576 HydrophobicContact CG1-CB 4.4Å
487	A	92.2	Very high	91.8	Very high	18 Å²	18	42.7 Å²	42.7	15%	0.149	21%	0.206	C	C	.	.			trans	-79.8	138.9	171	0	0	0	0	0	109.1	P430 F436 P550	P430-A487 HydrophobicContact CB-CB 3.65Å; P430-A487 HydrophobicContact CG-CB 3.89Å; F436-A487 HydrophobicContact CE2-CB 4.38Å; A487-P550 HydrophobicContact CB-CB 3.8Å; A487-P550 HydrophobicContact CB-CG 3.99Å
488	S	92.5	Very high	91.1	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.007	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-123.2	133.6	-176.1	-168.2	0	0	0	0	112.1	T490 P550 E551 N576	S488-T490 PolarHBondContact OG-N 3.42Å; S488-T490 PolarHBondContact OG-O 2.87Å; S488-P550 WeakPolarHBondContact O-CA 3.45Å; S488-E551 PolarHBondContact N-O 3.48Å; S488-E551 PolarHBondContact O-N 2.8Å; S488-N576 WeakPolarHBondContact OG-CA 3.48Å; S488-N576 PolarHBondContact OG-N 3.31Å
489	W	94.5	Very high	90.4	Very high	87 Å²	87	49.6 Å²	49.6	33%	0.33	23%	0.234	S	C	.	.	S	Bend	trans	-79.6	-30.6	167.2	-74.3	100.4	0	0	0	112.1	T545 F546 P550 F583	W489-T545 CarbonylContact O-C 3.53Å; W489-T545 VanDerWaalsContact O-CA 3.29Å; W489-T545 WeakPolarHBondContact O-CA 3.46Å; W489-F546 HydrophobicContact CE3-CB 4.29Å; W489-F546 VanDerWaalsContact CE3-O 3.25Å; W489-F546 WeakPolarHBondContact CZ3-O 3.36Å; W489-F546 WeakPolarHBondContact O-CD2 3.31Å; W489-F546 PolarHBondContact O-N 3.37Å; W489-P550 HydrophobicContact CD2-CB 4.07Å; W489-P550 HydrophobicContact CG-CB 4.03Å; W489-P550 VanDerWaalsContact CZ2-CD 3.49Å; W489-P550 HydrophobicContact CZ2-CG 4.32Å; W489-F583 HydrophobicContact CE3-CZ 4.09Å; W489-F583 HydrophobicContact CH2-CZ 4.47Å; W489-F583 AromaticContact CZ3-CZ 3.91Å; W489-F583 HydrophobicContact CZ3-CZ 3.91Å
490	T	95.7	Very high	89.8	Confident	9 Å²	9	50.3 Å²	50.3	6%	0.055	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	126.3	-166	47.4	0	0	0	0	111.7	S488 L544 T545 N576 L577 I581	S488-T490 PolarHBondContact OG-N 3.42Å; S488-T490 PolarHBondContact OG-O 2.87Å; T490-L544 WeakPolarHBondContact CA-O 3.46Å; T490-T545 HydrophobicContact CG2-CG2 4.19Å; T490-N576 PolarHBondContact O-N 3.23Å; T490-N576 VanDerWaalsContact O-N 3.09Å; T490-L577 PolarHBondContact OG1-N 3.15Å; T490-L577 PolarHBondContact OG1-O 3.44Å; T490-I581 HydrophobicContact CG2-CD1 3.12Å; T490-I581 HydrophobicContact CG2-CG1 4.22Å
491	I	95.8	Very high	89.1	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	144.7	175.2	66.1	179.3	0	0	0	110.2	L513 I515 T543 L544 F546 I553 V572 E574 V575	I491-L513 HydrophobicContact CD1-CD1 4.22Å; I491-I515 HydrophobicContact CD1-CD1 3.7Å; I491-T543 WeakPolarHBondContact O-CA 3.48Å; I491-L544 HydrophobicContact CD1-CB 4.42Å; I491-L544 HydrophobicContact CD1-CD1 4.36Å; I491-L544 HydrophobicContact CG1-CB 3.81Å; I491-L544 HydrophobicContact CG1-CD1 4.36Å; I491-L544 PolarHBondContact N-O 2.92Å; I491-L544 PolarHBondContact O-N 2.91Å; I491-F546 HydrophobicContact CD1-CE2 4.34Å; I491-F546 HydrophobicContact CD1-CZ 4.11Å; I491-F546 HydrophobicContact CG2-CE2 4.27Å; I491-I553 HydrophobicContact CD1-CD1 4.09Å; I491-I553 HydrophobicContact CG2-CD1 3.96Å; I491-V572 HydrophobicContact CB-CG1 4.27Å; I491-V572 HydrophobicContact CD1-CG2 4.07Å; I491-E574 WeakPolarHBondContact CA-O 3.29Å; I491-V575 HydrophobicContact CG2-CG1 4.03Å
492	R	96.8	Very high	88.5	Confident	73 Å²	73	51.8 Å²	51.8	28%	0.275	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	130.4	165.2	-166.9	177.5	179.9	143.6	4	108.4	S541 V542 R573 E574 L577	R492-S541 PolarHBondContact NE-OG 3.27Å; R492-V542 WeakPolarHBondContact CA-O 3.45Å; R492-R573 PolarHBondContact O-N 2.99Å; R492-E574 HydrophobicContact CB-CB 3.92Å; R492-E574 WeakPolarHBondContact CD-OE2 3.45Å; R492-E574 PolarHBondContact N-O 2.81Å; R492-E574 PolarHBondContact O-N 2.75Å; R492-L577 HydrophobicContact CB-CD1 4.04Å
493	A	96.2	Very high	88.1	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	143.8	176.6	0	0	0	0	0	111.7	V495 S541 V542 L544 L559 V571	A493-V495 HydrophobicContact CB-CG1 4.21Å; A493-S541 CarbonylContact O-C 3.49Å; A493-S541 WeakPolarHBondContact O-CA 3.39Å; A493-V542 PolarHBondContact N-O 3.48Å; A493-V542 PolarHBondContact O-N 2.95Å; A493-L544 HydrophobicContact CB-CD1 4.26Å; A493-L559 HydrophobicContact CB-CD2 3.38Å; A493-V571 CarbonylContact C-O 3.55Å; A493-V571 WeakPolarHBondContact CA-O 3.13Å; A493-V571 WeakPolarHBondContact CB-O 3.3Å
494	D	95.7	Very high	88.3	Confident	58 Å²	58	49.6 Å²	49.6	31%	0.31	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	118.9	167.6	-61.9	-24.4	0	0	0	107.8	S541 G570 V571 R573	D494-S541 VanDerWaalsContact OD1-CB 3.22Å; D494-S541 WeakPolarHBondContact OD1-CB 3.31Å; D494-S541 PolarHBondContact OD1-OG 3.45Å; D494-G570 CarbonylContact O-C 3.5Å; D494-G570 WeakPolarHBondContact O-CA 3.28Å; D494-V571 PolarHBondContact N-O 3.37Å; D494-V571 PolarHBondContact O-N 2.8Å; D494-R573 WeakPolarHBondContact OD2-CG 3.3Å; D494-R573 IonicContact OD2-CZ 2.68Å; D494-R573 IonicContact OD2-NE 3.6Å; D494-R573 PolarHBondContact OD2-NE 2.82Å; D494-R573 IonicContact OD2-NH2 3.56Å
495	V	93.9	Very high	88.6	Confident	6 Å²	6	40.1 Å²	40.1	4%	0.036	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	147.3	-173.7	-63.1	0	0	0	0	111.5	A493 L534 S539 A540 V542 L559 F561 I569	A493-V495 HydrophobicContact CB-CG1 4.21Å; V495-L534 HydrophobicContact CG2-CD1 3.78Å; V495-S539 CarbonylContact O-C 3.51Å; V495-S539 WeakPolarHBondContact O-CA 3.36Å; V495-A540 WeakPolarHBondContact CG2-O 3.25Å; V495-A540 PolarHBondContact N-O 3Å; V495-A540 PolarHBondContact O-N 3.46Å; V495-V542 HydrophobicContact CB-CG2 4.27Å; V495-V542 HydrophobicContact CG1-CG2 3.63Å; V495-V542 HydrophobicContact CG2-CB 4.32Å; V495-V542 HydrophobicContact CG2-CG1 3.73Å; V495-V542 HydrophobicContact CG2-CG2 3.61Å; V495-L559 HydrophobicContact CG1-CD1 4.24Å; V495-F561 HydrophobicContact CB-CE1 3.77Å; V495-F561 HydrophobicContact CB-CZ 4.44Å; V495-F561 HydrophobicContact CG1-CD1 4.31Å; V495-F561 HydrophobicContact CG1-CE1 4.03Å; V495-F561 HydrophobicContact CG2-CE1 4.49Å; V495-I569 CarbonylContact C-O 3.56Å; V495-I569 VanDerWaalsContact CA-O 3.24Å; V495-I569 WeakPolarHBondContact CA-O 3.4Å
496	F	90.3	Very high	88.7	Confident	59 Å²	59	40.9 Å²	40.9	26%	0.259	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	123.1	168.9	173.9	-107.2	0	0	0	109.1	M498 H537 E538 S539 G568 I569	F496-M498 HydrophobicContact CD1-CG 3.85Å; F496-M498 HydrophobicContact CE1-CB 4.46Å; F496-M498 HydrophobicContact CE1-CG 3.88Å; F496-M498 PolarHBondContact O-N 3.28Å; F496-H537 VanDerWaalsContact CE2-C 3.47Å; F496-H537 HydrophobicContact CE2-CB 4.36Å; F496-H537 WeakPolarHBondContact CE2-O 3.2Å; F496-H537 HydrophobicContact CZ-CB 4.29Å; F496-E538 WeakPolarHBondContact CA-O 3.17Å; F496-E538 WeakPolarHBondContact CD2-O 3.47Å; F496-S539 VanDerWaalsContact CD2-OG 3.31Å; F496-S539 WeakPolarHBondContact CD2-OG 3.38Å; F496-G568 CarbonylContact O-C 3.59Å; F496-G568 WeakPolarHBondContact O-CA 3.42Å; F496-I569 HydrophobicContact CB-CG1 4.01Å; F496-I569 HydrophobicContact CD1-CD1 4.26Å; F496-I569 HydrophobicContact CD1-CG1 4.12Å; F496-I569 PolarHBondContact N-O 3.45Å; F496-I569 PolarHBondContact O-N 3.18Å
497	V	88.9	Confident	88.9	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	112.2	175.9	-176.3	0	0	0	0	107.9	H500 I505 L534 K535 H537 E538 F561	V497-H500 HydrophobicContact CG1-CB 3.9Å; V497-I505 HydrophobicContact CG1-CD1 4.02Å; V497-I505 HydrophobicContact CG2-CD1 3.81Å; V497-L534 HydrophobicContact CG2-CB 4.04Å; V497-L534 HydrophobicContact CG2-CD1 4.33Å; V497-L534 HydrophobicContact CG2-CD2 4.29Å; V497-L534 HydrophobicContact CG2-CG 4.48Å; V497-K535 WeakPolarHBondContact CB-O 3.4Å; V497-H537 VanDerWaalsContact O-CA 3.28Å; V497-H537 WeakPolarHBondContact O-CA 2.95Å; V497-H537 PolarHBondContact O-N 2.96Å; V497-E538 PolarHBondContact N-O 3.34Å; V497-F561 HydrophobicContact CG2-CZ 4.07Å
498	M	83	Confident	89	Confident	39 Å²	39	45.4 Å²	45.4	19%	0.192	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	-44.1	176.6	-62.2	-178.2	69.4	0	0	110.7	F496 H537 K567 I569	F496-M498 HydrophobicContact CD1-CG 3.85Å; F496-M498 HydrophobicContact CE1-CB 4.46Å; F496-M498 HydrophobicContact CE1-CG 3.88Å; F496-M498 PolarHBondContact O-N 3.28Å; M498-H537 PolarHBondContact O-NE2 3.11Å; M498-K567 PolarHBondContact N-O 3.44Å; M498-I569 HydrophobicContact CG-CG2 4.4Å; M498-I569 HydrophobicContact SD-CG2 3.68Å
499	Y	82.5	Confident	89	Confident	107 Å²	107	47.6 Å²	47.6	42%	0.42	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	137.8	179.7	178.6	-97	0	0	0	110.6	A501 K565 T566 K567	Y499-A501 HydrophobicContact CE1-CB 4.1Å; Y499-K565 HydrophobicContact CD1-CB 4.43Å; Y499-K565 WeakPolarHBondContact CD1-O 3.34Å; Y499-K565 HydrophobicContact CE1-CB 3.97Å; Y499-T566 CarbonylContact O-C 3.51Å; Y499-T566 WeakPolarHBondContact O-CA 2.9Å; Y499-K567 PolarHBondContact N-O 2.84Å; Y499-K567 VanDerWaalsContact N-O 3.09Å; Y499-K567 PolarHBondContact O-N 2.93Å
500	H	81.9	Confident	89	Confident	15 Å²	15	48.1 Å²	48.1	7%	0.069	27%	0.272	C	S	.	.			trans	-145.5	127.3	171.5	-176.5	60.3	0	0	0	108.8	V497 I505 S536 T566	V497-H500 HydrophobicContact CG1-CB 3.9Å; H500-I505 HydrophobicContact CB-CD1 4.41Å; H500-I505 HydrophobicContact CB-CG1 4.44Å; H500-S536 PolarHBondContact N-OG 3.25Å; H500-S536 PolarHBondContact O-OG 2.91Å; H500-T566 HydrophobicContact CB-CG2 4.01Å; H500-T566 VanDerWaalsContact ND1-CG2 3.34Å; H500-T566 WeakPolarHBondContact ND1-CG2 3.19Å; H500-T566 PolarHBondContact ND1-OG1 3.33Å
501	A	78.6	Confident	89	Confident	57 Å²	57	47.8 Å²	47.8	47%	0.471	27%	0.269	S	S	.	.	S	Bend	trans	-77.2	-29.4	-172.2	0	0	0	0	0	113.7	Y499	Y499-A501 HydrophobicContact CE1-CB 4.1Å
502	S	75.9	Confident	88.9	Confident	99 Å²	99	49.1 Å²	49.1	69%	0.692	28%	0.278	S	S	*	.	S	Bend	trans	-113.5	50.4	-160.2	-59.8	0	0	0	0	113.7	C504	S502-C504 PolarHBondContact O-N 2.78Å
503	G	76.8	Confident	88.8	Confident	54 Å²	54	45.7 Å²	45.7	56%	0.557	27%	0.265	S	S	*	.	S	Bend	trans	81.6	-97.9	176.2	0	0	0	0	0	112.2
504	C	86.1	Confident	88.7	Confident	56 Å²	56	45.8 Å²	45.8	38%	0.378	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	144.1	-176	63.3	0	0	0	0	113.8	S502 T533 L534 K535	S502-C504 PolarHBondContact O-N 2.78Å; C504-T533 HydrophobicContact CB-CG2 4.4Å; C504-L534 CarbonylContact C-O 3.6Å; C504-L534 VanDerWaalsContact CA-O 3.3Å; C504-L534 WeakPolarHBondContact CA-O 3.29Å; C504-K535 HydrophobicContact CB-CG 3.99Å
505	I	87.8	Confident	88.7	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	121.3	167.4	-59.4	174.8	0	0	0	107.6	V497 H500 F509 I524 T533 L534 F561 T566	V497-I505 HydrophobicContact CG1-CD1 4.02Å; V497-I505 HydrophobicContact CG2-CD1 3.81Å; H500-I505 HydrophobicContact CB-CD1 4.41Å; H500-I505 HydrophobicContact CB-CG1 4.44Å; I505-F509 HydrophobicContact CG1-CD1 4.4Å; I505-F509 HydrophobicContact CG1-CE1 4.35Å; I505-F509 HydrophobicContact CG2-CB 3.93Å; I505-F509 HydrophobicContact CG2-CD1 3.63Å; I505-F509 HydrophobicContact CG2-CE1 4.38Å; I505-F509 HydrophobicContact CG2-CG 3.94Å; I505-I524 HydrophobicContact CG2-CD1 3.41Å; I505-I524 VanDerWaalsContact CG2-CD1 3.41Å; I505-T533 CarbonylContact O-C 3.58Å; I505-T533 VanDerWaalsContact O-CA 3.29Å; I505-T533 WeakPolarHBondContact O-CA 3.2Å; I505-L534 HydrophobicContact CB-CB 4.05Å; I505-L534 PolarHBondContact N-O 3.09Å; I505-L534 PolarHBondContact O-N 2.9Å; I505-F561 HydrophobicContact CD1-CE2 4.24Å; I505-T566 HydrophobicContact CD1-CG2 3.79Å
506	A	90	Very high	88.6	Confident	40 Å²	40	43.6 Å²	43.6	33%	0.331	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	178.5	176.7	0	0	0	0	0	110.9	F509 T533	A506-F509 WeakPolarHBondContact O-CB 3.42Å; A506-F509 PolarHBondContact O-N 2.92Å; A506-T533 HydrophobicContact CB-CG2 4.12Å
507	E	92.7	Very high	88.8	Confident	64 Å²	64	41.5 Å²	41.5	30%	0.299	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	151.7	170	-62.6	177.1	171.9	0	0	111.1	F509 I524 V527	E507-F509 PolarHBondContact O-N 3.28Å; E507-I524 CarbonylContact C-O 3.55Å; E507-I524 WeakPolarHBondContact CA-O 3.45Å; E507-V527 HydrophobicContact CG-CG2 4.28Å; E507-V527 PolarHBondContact OE1-N 2.63Å
508	N	92.7	Very high	89.1	Confident	129 Å²	129	41.6 Å²	41.6	69%	0.69	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.1	1.9	-170.9	-54.5	-50	0	0	0	116.1	I524	N508-I524 PolarHBondContact N-O 3.32Å
509	F	93.3	Very high	89.6	Confident	47 Å²	47	40.8 Å²	40.8	21%	0.206	25%	0.246	C	C	.	.			trans	-70	133.8	174.6	-170.9	-105.6	0	0	0	111.8	I505 A506 E507 V511 I524 H563	I505-F509 HydrophobicContact CG1-CD1 4.4Å; I505-F509 HydrophobicContact CG1-CE1 4.35Å; I505-F509 HydrophobicContact CG2-CB 3.93Å; I505-F509 HydrophobicContact CG2-CD1 3.63Å; I505-F509 HydrophobicContact CG2-CE1 4.38Å; I505-F509 HydrophobicContact CG2-CG 3.94Å; A506-F509 WeakPolarHBondContact O-CB 3.42Å; A506-F509 PolarHBondContact O-N 2.92Å; E507-F509 PolarHBondContact O-N 3.28Å; F509-V511 HydrophobicContact CD1-CG1 3.59Å; F509-V511 HydrophobicContact CE1-CG1 3.53Å; F509-I524 HydrophobicContact CB-CD1 4.45Å; F509-I524 HydrophobicContact CD1-CD1 4.28Å; F509-I524 PolarHBondContact O-N 3.47Å; F509-H563 HydrophobicContact CE1-CB 3.83Å; F509-H563 HydrophobicContact CZ-CB 3.72Å; F509-H563 AromaticContact CZ-CD2 3.68Å; F509-H563 AromaticContact CZ-CG 3.69Å
510	Q	94.9	Very high	90.2	Very high	99 Å²	99	35.9 Å²	35.9	46%	0.463	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	132	-178.3	-71.7	-174.7	5.6	0	0	112.3	T521 A522 V523 I547 H563	Q510-T521 HydrophobicContact CB-CG2 4.21Å; Q510-A522 WeakPolarHBondContact CA-O 3.45Å; Q510-V523 HydrophobicContact CG-CG2 3.94Å; Q510-I547 HydrophobicContact CG-CD1 4.17Å; Q510-H563 WeakPolarHBondContact O-CB 3.38Å; Q510-H563 PolarHBondContact O-ND1 3.34Å
511	V	94.4	Very high	90.9	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	142	178.5	-65.9	0	0	0	0	111.2	F509 L513 T521 A522 I524 L544 F561 H563	F509-V511 HydrophobicContact CD1-CG1 3.59Å; F509-V511 HydrophobicContact CE1-CG1 3.53Å; V511-L513 HydrophobicContact CG2-CD2 3.78Å; V511-L513 HydrophobicContact CG2-CG 4.35Å; V511-L513 PolarHBondContact O-N 3.38Å; V511-T521 CarbonylContact O-C 3.58Å; V511-T521 WeakPolarHBondContact O-CA 3.39Å; V511-A522 PolarHBondContact N-O 2.9Å; V511-A522 PolarHBondContact O-N 3.08Å; V511-I524 HydrophobicContact CG1-CD1 4.47Å; V511-L544 HydrophobicContact CG2-CD2 4.01Å; V511-F561 HydrophobicContact CB-CB 4.11Å; V511-F561 HydrophobicContact CB-CD2 4.28Å; V511-F561 HydrophobicContact CG1-CD2 3.89Å; V511-F561 HydrophobicContact CG2-CB 4.09Å; V511-H563 HydrophobicContact CG1-CB 4.35Å
512	T	95	Very high	91.8	Very high	29 Å²	29	34.8 Å²	34.8	18%	0.178	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	117.9	166.1	-56.9	0	0	0	0	108.7	F561 R562	T512-F561 CarbonylContact O-C 3.51Å; T512-F561 VanDerWaalsContact O-CA 3.29Å; T512-F561 WeakPolarHBondContact O-CA 3.27Å; T512-R562 PolarHBondContact N-O 2.89Å; T512-R562 PolarHBondContact O-N 2.85Å
513	L	95	Very high	92.8	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	140.4	174.6	-60.2	-176.3	0	0	0	110.6	I491 V511 I515 C519 Q520 A522 L544 F546 L559 L560 F561	I491-L513 HydrophobicContact CD1-CD1 4.22Å; V511-L513 HydrophobicContact CG2-CD2 3.78Å; V511-L513 HydrophobicContact CG2-CG 4.35Å; V511-L513 PolarHBondContact O-N 3.38Å; L513-I515 HydrophobicContact CB-CD1 4.49Å; L513-I515 HydrophobicContact CB-CG1 4.47Å; L513-I515 HydrophobicContact CD1-CD1 4.36Å; L513-C519 VanDerWaalsContact O-CA 3.3Å; L513-C519 WeakPolarHBondContact O-CA 3.16Å; L513-Q520 PolarHBondContact N-O 3.11Å; L513-Q520 PolarHBondContact O-N 3.27Å; L513-Q520 VanDerWaalsContact O-N 3.13Å; L513-A522 HydrophobicContact CD1-CB 3.43Å; L513-A522 VanDerWaalsContact CD1-CB 3.43Å; L513-A522 HydrophobicContact CG-CB 3.84Å; L513-L544 HydrophobicContact CD1-CB 4.3Å; L513-L544 HydrophobicContact CD1-CD1 3.98Å; L513-L544 HydrophobicContact CD1-CD2 4.5Å; L513-L544 HydrophobicContact CD1-CG 4.5Å; L513-L544 HydrophobicContact CD2-CD1 4.16Å; L513-L544 HydrophobicContact CD2-CD2 4.49Å; L513-F546 HydrophobicContact CB-CE1 4.46Å; L513-F546 HydrophobicContact CD1-CE1 3.77Å; L513-F546 HydrophobicContact CD1-CZ 4.04Å; L513-L559 HydrophobicContact CD2-CD1 4.39Å; L513-L560 CarbonylContact C-O 3.57Å; L513-L560 WeakPolarHBondContact CA-O 3.49Å; L513-F561 HydrophobicContact CD2-CB 3.47Å; L513-F561 VanDerWaalsContact CD2-CB 3.47Å
514	H	94.4	Very high	93.6	Very high	2 Å²	2	29 Å²	29	1%	0.009	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	113.8	167.8	-68	-100.8	0	0	0	107.9	I242 V518 C519 L559 L560	I242-H514 HydrophobicContact CG2-CB 3.81Å; I242-H514 VanDerWaalsContact CG2-CG 3.43Å; H514-V518 WeakPolarHBondContact CA-O 3.43Å; H514-C519 PolarHBondContact CE1-SG 2.77Å; H514-L559 WeakPolarHBondContact O-CA 3.35Å; H514-L560 HydrophobicContact CB-CB 4.37Å; H514-L560 PolarHBondContact N-O 3.45Å; H514-L560 PolarHBondContact O-N 3.34Å
515	I	94.3	Very high	94	Very high	6 Å²	6	28.5 Å²	28.5	3%	0.031	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	99.6	-177.3	-54.6	179.4	0	0	0	107.8	I491 L513 N517 V518 F546 I553 L559 V572	I491-I515 HydrophobicContact CD1-CD1 3.7Å; L513-I515 HydrophobicContact CB-CD1 4.49Å; L513-I515 HydrophobicContact CB-CG1 4.47Å; L513-I515 HydrophobicContact CD1-CD1 4.36Å; I515-N517 PolarHBondContact O-N 2.94Å; I515-V518 PolarHBondContact N-O 2.86Å; I515-V518 WeakPolarHBondContact O-CB 3.45Å; I515-V518 PolarHBondContact O-N 2.92Å; I515-F546 HydrophobicContact CD1-CZ 4.45Å; I515-I553 HydrophobicContact CD1-CD1 3.85Å; I515-I553 HydrophobicContact CG2-CG2 4.27Å; I515-L559 HydrophobicContact CD1-CB 3.94Å; I515-L559 HydrophobicContact CD1-CD2 4.45Å; I515-L559 HydrophobicContact CG1-CB 3.55Å; I515-V572 HydrophobicContact CD1-CG2 4.17Å
516	G	92	Very high	94.4	Very high	12 Å²	12	33.1 Å²	33.1	12%	0.124	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	-122.2	-170.5	0	0	0	0	0	110.6	S246 A247	S246-G516 CarbonylContact C-O 3.44Å; S246-G516 WeakPolarHBondContact CB-O 3.31Å; S246-G516 PolarHBondContact OG-N 3.29Å; S246-G516 VanDerWaalsContact OG-N 3.14Å; S246-G516 PolarHBondContact OG-O 3.21Å; A247-G516 WeakPolarHBondContact CA-O 3.42Å; A247-G516 PolarHBondContact N-O 2.93Å
517	N	94.1	Very high	94.6	Very high	15 Å²	15	31.5 Å²	31.5	8%	0.08	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-8.3	175.3	68.1	-37.9	0	0	0	114.5	A247 Q397 I398 G475 M476 I515	A247-N517 HydrophobicContact CB-CB 4.27Å; Q397-N517 HydrophobicContact CB-CB 4.14Å; I398-N517 PolarHBondContact N-ND2 2.88Å; I398-N517 VanDerWaalsContact N-ND2 3.16Å; I398-N517 PolarHBondContact O-ND2 2.78Å; G475-N517 WeakPolarHBondContact CA-ND2 3.24Å; M476-N517 PolarHBondContact O-ND2 2.82Å; I515-N517 PolarHBondContact O-N 2.94Å
518	V	95.4	Very high	94.6	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.012	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	127.6	179.5	176.4	0	0	0	0	109.8	H514 I515 E551	H514-V518 WeakPolarHBondContact CA-O 3.43Å; I515-V518 PolarHBondContact N-O 2.86Å; I515-V518 WeakPolarHBondContact O-CB 3.45Å; I515-V518 PolarHBondContact O-N 2.92Å; V518-E551 HydrophobicContact CG1-CB 3.98Å; V518-E551 HydrophobicContact CG1-CG 3.6Å; V518-E551 HydrophobicContact CG2-CB 4.29Å
519	C	94.8	Very high	94.5	Very high	22 Å²	22	28 Å²	28	15%	0.149	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	103.4	172.1	-175.4	0	0	0	0	111.2	R239 L513 H514	R239-C519 PolarHBondContact NH1-SG 2.98Å; R239-C519 PolarHBondContact NH2-SG 3.5Å; L513-C519 VanDerWaalsContact O-CA 3.3Å; L513-C519 WeakPolarHBondContact O-CA 3.16Å; H514-C519 PolarHBondContact CE1-SG 2.77Å
520	Q	94.9	Very high	94.3	Very high	3 Å²	3	35.5 Å²	35.5	1%	0.014	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	151.2	-175.2	-157.8	-170.5	148.8	0	0	111.6	L513 F546 Q549 E551	L513-Q520 PolarHBondContact N-O 3.11Å; L513-Q520 PolarHBondContact O-N 3.27Å; L513-Q520 VanDerWaalsContact O-N 3.13Å; Q520-F546 HydrophobicContact CB-CD1 3.87Å; Q520-F546 HydrophobicContact CB-CE1 4.16Å; Q520-F546 HydrophobicContact CG-CD1 4.19Å; Q520-Q549 PolarHBondContact NE2-O 3.41Å; Q520-Q549 PolarHBondContact OE1-O 3.41Å; Q520-E551 PolarHBondContact NE2-OE1 3.49Å
521	T	96.3	Very high	93.9	Very high	49 Å²	49	34 Å²	34	30%	0.301	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	135.3	168.3	-48.1	0	0	0	0	110.4	Q510 V511 I547	Q510-T521 HydrophobicContact CB-CG2 4.21Å; V511-T521 CarbonylContact O-C 3.58Å; V511-T521 WeakPolarHBondContact O-CA 3.39Å; T521-I547 HydrophobicContact CG2-CD1 3.53Å; T521-I547 PolarHBondContact O-N 3.19Å
522	A	96.2	Very high	93.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	154.2	172.1	0	0	0	0	0	110.5	Q510 V511 L513 L544 T545 F546	Q510-A522 WeakPolarHBondContact CA-O 3.45Å; V511-A522 PolarHBondContact N-O 2.9Å; V511-A522 PolarHBondContact O-N 3.08Å; L513-A522 HydrophobicContact CD1-CB 3.43Å; L513-A522 VanDerWaalsContact CD1-CB 3.43Å; L513-A522 HydrophobicContact CG-CB 3.84Å; A522-L544 HydrophobicContact CB-CB 4.36Å; A522-L544 HydrophobicContact CB-CD2 4.4Å; A522-T545 CarbonylContact C-O 3.49Å; A522-T545 WeakPolarHBondContact CA-O 3.37Å; A522-T545 WeakPolarHBondContact CB-O 3.38Å; A522-F546 HydrophobicContact CB-CD1 4.14Å; A522-F546 HydrophobicContact CB-CE1 4.39Å
523	V	97.1	Very high	93.6	Very high	28 Å²	28	41.7 Å²	41.7	17%	0.17	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	133.4	173.4	-178.1	0	0	0	0	108.5	Q510 T525 L544 T545 I547	Q510-V523 HydrophobicContact CG-CG2 3.94Å; V523-T525 HydrophobicContact CG1-CG2 4.39Å; V523-T525 PolarHBondContact O-N 3.17Å; V523-L544 WeakPolarHBondContact O-CA 3.35Å; V523-T545 PolarHBondContact N-O 2.93Å; V523-T545 PolarHBondContact O-N 2.98Å; V523-I547 HydrophobicContact CG2-CD1 3.73Å; V523-I547 HydrophobicContact CG2-CG1 3.76Å
524	I	95.4	Very high	93.4	Very high	5 Å²	5	41.7 Å²	41.7	3%	0.026	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	102.6	166.3	-63.9	168.8	0	0	0	107.3	I505 E507 N508 F509 V511 V527 V542 T543 L544	I505-I524 HydrophobicContact CG2-CD1 3.41Å; I505-I524 VanDerWaalsContact CG2-CD1 3.41Å; E507-I524 CarbonylContact C-O 3.55Å; E507-I524 WeakPolarHBondContact CA-O 3.45Å; N508-I524 PolarHBondContact N-O 3.32Å; F509-I524 HydrophobicContact CB-CD1 4.45Å; F509-I524 HydrophobicContact CD1-CD1 4.28Å; F509-I524 PolarHBondContact O-N 3.47Å; V511-I524 HydrophobicContact CG1-CD1 4.47Å; I524-V527 HydrophobicContact CG2-CG2 3.67Å; I524-V542 HydrophobicContact CG2-CB 4.29Å; I524-V542 HydrophobicContact CG2-CG1 4.36Å; I524-T543 CarbonylContact C-O 3.57Å; I524-T543 WeakPolarHBondContact CA-O 3.23Å; I524-L544 HydrophobicContact CB-CD2 4.42Å; I524-L544 HydrophobicContact CG1-CD2 3.49Å; I524-L544 VanDerWaalsContact CG1-CD2 3.49Å
525	T	94.5	Very high	93.2	Very high	45 Å²	45	47 Å²	47	28%	0.276	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	-31.2	-178.5	49.3	0	0	0	0	112.3	V523 T543 T545	V523-T525 HydrophobicContact CG1-CG2 4.39Å; V523-T525 PolarHBondContact O-N 3.17Å; T525-T543 PolarHBondContact N-O 3Å; T525-T543 WeakPolarHBondContact OG1-CB 3.45Å; T525-T543 WeakPolarHBondContact OG1-CG2 3.37Å; T525-T543 PolarHBondContact OG1-O 3.49Å; T525-T545 VanDerWaalsContact CG2-OG1 3.23Å; T525-T545 WeakPolarHBondContact CG2-OG1 3.45Å
526	Q	94.4	Very high	92.8	Very high	97 Å²	97	48.3 Å²	48.3	45%	0.453	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	140.1	178.9	-65.8	-179.8	-20.9	0	0	111	H528 V542 T543	Q526-H528 PolarHBondContact OE1-CE1 2.64Å; Q526-V542 CarbonylContact O-C 3.5Å; Q526-V542 VanDerWaalsContact O-CA 3.32Å; Q526-V542 WeakPolarHBondContact O-CA 3.5Å; Q526-T543 PolarHBondContact O-N 2.92Å
527	V	94.7	Very high	92.4	Very high	5 Å²	5	54.3 Å²	54.3	3%	0.03	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	112.5	169.6	-175.7	0	0	0	0	108.6	E507 I524 N529 L534 A540 V542	E507-V527 HydrophobicContact CG-CG2 4.28Å; E507-V527 PolarHBondContact OE1-N 2.63Å; I524-V527 HydrophobicContact CG2-CG2 3.67Å; V527-N529 VanDerWaalsContact C-N 3.26Å; V527-N529 WeakPolarHBondContact CG1-OD1 3.27Å; V527-N529 PolarHBondContact O-N 3.03Å; V527-L534 HydrophobicContact CG1-CD1 4.22Å; V527-L534 HydrophobicContact CG1-CG 4.03Å; V527-A540 HydrophobicContact CG1-CB 4.25Å; V527-V542 HydrophobicContact CB-CG1 4.48Å; V527-V542 HydrophobicContact CG1-CG1 4.24Å; V527-V542 HydrophobicContact CG2-CG1 4.21Å
528	H	92.7	Very high	92.2	Very high	70 Å²	70	57 Å²	57	32%	0.324	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	65.9	-175.6	-59	-85.9	0	0	0	111.2	Q526 S541 T543	Q526-H528 PolarHBondContact OE1-CE1 2.64Å; H528-S541 WeakPolarHBondContact CA-O 3.47Å; H528-S541 VanDerWaalsContact CB-O 3.3Å; H528-S541 WeakPolarHBondContact CB-O 3.48Å; H528-S541 PolarHBondContact CD2-O 3.09Å; H528-S541 PolarHBondContact N-O 3.43Å; H528-T543 PolarHBondContact NE2-OG1 2.97Å
529	N	91.1	Very high	92	Very high	49 Å²	49	61 Å²	61	26%	0.262	31%	0.312	S	S	.	.	S	Bend	trans	-143.5	174	169.1	69.2	-0.2	0	0	0	110.7	V527 S531 R532 T533 A540	V527-N529 VanDerWaalsContact C-N 3.26Å; V527-N529 WeakPolarHBondContact CG1-OD1 3.27Å; V527-N529 PolarHBondContact O-N 3.03Å; N529-S531 VanDerWaalsContact C-N 3.33Å; N529-S531 PolarHBondContact ND2-OG 2.84Å; N529-S531 PolarHBondContact O-N 2.81Å; N529-R532 PolarHBondContact O-N 2.94Å; N529-R532 WeakPolarHBondContact OD1-CA 3.46Å; N529-R532 PolarHBondContact OD1-N 3.23Å; N529-T533 PolarHBondContact ND2-O 2.89Å; N529-T533 PolarHBondContact OD1-N 3.06Å; N529-A540 HydrophobicContact CB-CB 4.29Å
530	Q	88.6	Confident	92	Very high	205 Å²	205	60.6 Å²	60.6	96%	0.958	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-38.1	-176.9	-67.2	178.5	-5	0	0	112.6
531	S	87.5	Confident	92	Very high	69 Å²	69	61.3 Å²	61.3	48%	0.483	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-5.7	-175.5	59.6	0	0	0	0	114.3	N529 T533	N529-S531 VanDerWaalsContact C-N 3.33Å; N529-S531 PolarHBondContact ND2-OG 2.84Å; N529-S531 PolarHBondContact O-N 2.81Å; S531-T533 VanDerWaalsContact CB-OG1 3.29Å; S531-T533 WeakPolarHBondContact CB-OG1 3.13Å; S531-T533 WeakPolarHBondContact O-CG2 3.25Å; S531-T533 PolarHBondContact O-N 2.86Å; S531-T533 PolarHBondContact O-OG1 2.89Å; S531-T533 PolarHBondContact OG-O 2.92Å; S531-T533 PolarHBondContact OG-OG1 3.18Å
532	R	89.8	Confident	92	Very high	159 Å²	159	59 Å²	59	60%	0.6	30%	0.301	S	S	*	.	S	Bend	trans	45.8	27.4	-169.4	-58.7	-169	-176.7	-171.8	2	114.6	N529	N529-R532 PolarHBondContact O-N 2.94Å; N529-R532 WeakPolarHBondContact OD1-CA 3.46Å; N529-R532 PolarHBondContact OD1-N 3.23Å
533	T	92.2	Very high	92	Very high	32 Å²	32	59.6 Å²	59.6	20%	0.196	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	151.3	-173.2	49.4	0	0	0	0	109.9	C504 I505 A506 N529 S531	C504-T533 HydrophobicContact CB-CG2 4.4Å; I505-T533 CarbonylContact O-C 3.58Å; I505-T533 VanDerWaalsContact O-CA 3.29Å; I505-T533 WeakPolarHBondContact O-CA 3.2Å; A506-T533 HydrophobicContact CB-CG2 4.12Å; N529-T533 PolarHBondContact ND2-O 2.89Å; N529-T533 PolarHBondContact OD1-N 3.06Å; S531-T533 VanDerWaalsContact CB-OG1 3.29Å; S531-T533 WeakPolarHBondContact CB-OG1 3.13Å; S531-T533 WeakPolarHBondContact O-CG2 3.25Å; S531-T533 PolarHBondContact O-N 2.86Å; S531-T533 PolarHBondContact O-OG1 2.89Å; S531-T533 PolarHBondContact OG-O 2.92Å; S531-T533 PolarHBondContact OG-OG1 3.18Å
534	L	90.7	Very high	91.9	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	124.4	-176.9	-92.2	171	0	0	0	110.3	V495 V497 C504 I505 V527 E538 A540 V542	V495-L534 HydrophobicContact CG2-CD1 3.78Å; V497-L534 HydrophobicContact CG2-CB 4.04Å; V497-L534 HydrophobicContact CG2-CD1 4.33Å; V497-L534 HydrophobicContact CG2-CD2 4.29Å; V497-L534 HydrophobicContact CG2-CG 4.48Å; C504-L534 CarbonylContact C-O 3.6Å; C504-L534 VanDerWaalsContact CA-O 3.3Å; C504-L534 WeakPolarHBondContact CA-O 3.29Å; I505-L534 HydrophobicContact CB-CB 4.05Å; I505-L534 PolarHBondContact N-O 3.09Å; I505-L534 PolarHBondContact O-N 2.9Å; V527-L534 HydrophobicContact CG1-CD1 4.22Å; V527-L534 HydrophobicContact CG1-CG 4.03Å; L534-E538 HydrophobicContact CD2-CB 4.08Å; L534-A540 HydrophobicContact CD1-CB 4.17Å; L534-A540 HydrophobicContact CD2-CB 3.51Å; L534-A540 HydrophobicContact CG-CB 3.95Å; L534-V542 HydrophobicContact CD1-CG1 3.62Å
535	K	90.2	Very high	92	Very high	112 Å²	112	58.4 Å²	58.4	49%	0.487	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	171	174.5	-58.9	176.2	-175.8	171.7	0	111.4	V497 C504 H537 E538	V497-K535 WeakPolarHBondContact CB-O 3.4Å; C504-K535 HydrophobicContact CB-CG 3.99Å; K535-H537 PolarHBondContact O-N 2.88Å; K535-E538 HydrophobicContact CB-CG 4.18Å; K535-E538 PolarHBondContact N-OE2 2.92Å; K535-E538 WeakPolarHBondContact O-CB 3.37Å; K535-E538 PolarHBondContact O-N 3.03Å
536	S	86.5	Confident	92.1	Very high	35 Å²	35	56.3 Å²	56.3	25%	0.245	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	135.9	171.7	-63.2	0	0	0	0	111.2	H500 E538	H500-S536 PolarHBondContact N-OG 3.25Å; H500-S536 PolarHBondContact O-OG 2.91Å; S536-E538 VanDerWaalsContact C-N 3.25Å; S536-E538 PolarHBondContact O-N 2.74Å
537	H	83.2	Confident	92.2	Very high	137 Å²	137	54.9 Å²	54.9	63%	0.634	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	19	-176.8	-47.3	90.4	0	0	0	115.2	F496 V497 M498 K535	F496-H537 VanDerWaalsContact CE2-C 3.47Å; F496-H537 HydrophobicContact CE2-CB 4.36Å; F496-H537 WeakPolarHBondContact CE2-O 3.2Å; F496-H537 HydrophobicContact CZ-CB 4.29Å; V497-H537 VanDerWaalsContact O-CA 3.28Å; V497-H537 WeakPolarHBondContact O-CA 2.95Å; V497-H537 PolarHBondContact O-N 2.96Å; M498-H537 PolarHBondContact O-NE2 3.11Å; K535-H537 PolarHBondContact O-N 2.88Å
538	E	89.7	Confident	92.1	Very high	72 Å²	72	62 Å²	62	34%	0.336	31%	0.306	S	S	.	.			trans	-102.7	152.8	171.1	-65.5	-178.7	173	0	0	111.5	F496 V497 L534 K535 S536	F496-E538 WeakPolarHBondContact CA-O 3.17Å; F496-E538 WeakPolarHBondContact CD2-O 3.47Å; V497-E538 PolarHBondContact N-O 3.34Å; L534-E538 HydrophobicContact CD2-CB 4.08Å; K535-E538 HydrophobicContact CB-CG 4.18Å; K535-E538 PolarHBondContact N-OE2 2.92Å; K535-E538 WeakPolarHBondContact O-CB 3.37Å; K535-E538 PolarHBondContact O-N 3.03Å; S536-E538 VanDerWaalsContact C-N 3.25Å; S536-E538 PolarHBondContact O-N 2.74Å
539	S	91.3	Very high	92.2	Very high	87 Å²	87	59.1 Å²	59.1	61%	0.608	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.9	141.4	170.5	-54	0	0	0	0	110.6	V495 F496	V495-S539 CarbonylContact O-C 3.51Å; V495-S539 WeakPolarHBondContact O-CA 3.36Å; F496-S539 VanDerWaalsContact CD2-OG 3.31Å; F496-S539 WeakPolarHBondContact CD2-OG 3.38Å
540	A	94.4	Very high	92.4	Very high	12 Å²	12	56.9 Å²	56.9	10%	0.099	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	162.2	168.7	0	0	0	0	0	110.8	V495 V527 N529 L534	V495-A540 WeakPolarHBondContact CG2-O 3.25Å; V495-A540 PolarHBondContact N-O 3Å; V495-A540 PolarHBondContact O-N 3.46Å; V527-A540 HydrophobicContact CG1-CB 4.25Å; N529-A540 HydrophobicContact CB-CB 4.29Å; L534-A540 HydrophobicContact CD1-CB 4.17Å; L534-A540 HydrophobicContact CD2-CB 3.51Å; L534-A540 HydrophobicContact CG-CB 3.95Å
541	S	95.7	Very high	92.8	Very high	18 Å²	18	47.2 Å²	47.2	13%	0.126	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	133.4	167.3	-157	0	0	0	0	108.7	R492 A493 D494 H528	R492-S541 PolarHBondContact NE-OG 3.27Å; A493-S541 CarbonylContact O-C 3.49Å; A493-S541 WeakPolarHBondContact O-CA 3.39Å; D494-S541 VanDerWaalsContact OD1-CB 3.22Å; D494-S541 WeakPolarHBondContact OD1-CB 3.31Å; D494-S541 PolarHBondContact OD1-OG 3.45Å; H528-S541 WeakPolarHBondContact CA-O 3.47Å; H528-S541 VanDerWaalsContact CB-O 3.3Å; H528-S541 WeakPolarHBondContact CB-O 3.48Å; H528-S541 PolarHBondContact CD2-O 3.09Å; H528-S541 PolarHBondContact N-O 3.43Å
542	V	95.9	Very high	93.2	Very high	1 Å²	1	45 Å²	45	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	146.3	-179.1	-63	0	0	0	0	110.9	R492 A493 V495 I524 Q526 V527 L534 L544	R492-V542 WeakPolarHBondContact CA-O 3.45Å; A493-V542 PolarHBondContact N-O 3.48Å; A493-V542 PolarHBondContact O-N 2.95Å; V495-V542 HydrophobicContact CB-CG2 4.27Å; V495-V542 HydrophobicContact CG1-CG2 3.63Å; V495-V542 HydrophobicContact CG2-CB 4.32Å; V495-V542 HydrophobicContact CG2-CG1 3.73Å; V495-V542 HydrophobicContact CG2-CG2 3.61Å; I524-V542 HydrophobicContact CG2-CB 4.29Å; I524-V542 HydrophobicContact CG2-CG1 4.36Å; Q526-V542 CarbonylContact O-C 3.5Å; Q526-V542 VanDerWaalsContact O-CA 3.32Å; Q526-V542 WeakPolarHBondContact O-CA 3.5Å; V527-V542 HydrophobicContact CB-CG1 4.48Å; V527-V542 HydrophobicContact CG1-CG1 4.24Å; V527-V542 HydrophobicContact CG2-CG1 4.21Å; L534-V542 HydrophobicContact CD1-CG1 3.62Å; V542-L544 HydrophobicContact CG2-CD1 4.08Å; V542-L544 HydrophobicContact CG2-CG 4.05Å
543	T	96.6	Very high	93.4	Very high	12 Å²	12	37.9 Å²	37.9	7%	0.074	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	126.7	167.3	-53.1	0	0	0	0	108.7	I491 I524 T525 Q526 H528 L577	I491-T543 WeakPolarHBondContact O-CA 3.48Å; I524-T543 CarbonylContact C-O 3.57Å; I524-T543 WeakPolarHBondContact CA-O 3.23Å; T525-T543 PolarHBondContact N-O 3Å; T525-T543 WeakPolarHBondContact OG1-CB 3.45Å; T525-T543 WeakPolarHBondContact OG1-CG2 3.37Å; T525-T543 PolarHBondContact OG1-O 3.49Å; Q526-T543 PolarHBondContact O-N 2.92Å; H528-T543 PolarHBondContact NE2-OG1 2.97Å; T543-L577 HydrophobicContact CG2-CD1 3.81Å
544	L	96.1	Very high	93.3	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.021	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	132.6	-179.4	-68.8	158	0	0	0	109.3	T490 I491 A493 V511 L513 A522 V523 I524 V542 L559	T490-L544 WeakPolarHBondContact CA-O 3.46Å; I491-L544 HydrophobicContact CD1-CB 4.42Å; I491-L544 HydrophobicContact CD1-CD1 4.36Å; I491-L544 HydrophobicContact CG1-CB 3.81Å; I491-L544 HydrophobicContact CG1-CD1 4.36Å; I491-L544 PolarHBondContact N-O 2.92Å; I491-L544 PolarHBondContact O-N 2.91Å; A493-L544 HydrophobicContact CB-CD1 4.26Å; V511-L544 HydrophobicContact CG2-CD2 4.01Å; L513-L544 HydrophobicContact CD1-CB 4.3Å; L513-L544 HydrophobicContact CD1-CD1 3.98Å; L513-L544 HydrophobicContact CD1-CD2 4.5Å; L513-L544 HydrophobicContact CD1-CG 4.5Å; L513-L544 HydrophobicContact CD2-CD1 4.16Å; L513-L544 HydrophobicContact CD2-CD2 4.49Å; A522-L544 HydrophobicContact CB-CB 4.36Å; A522-L544 HydrophobicContact CB-CD2 4.4Å; V523-L544 WeakPolarHBondContact O-CA 3.35Å; I524-L544 HydrophobicContact CB-CD2 4.42Å; I524-L544 HydrophobicContact CG1-CD2 3.49Å; I524-L544 VanDerWaalsContact CG1-CD2 3.49Å; V542-L544 HydrophobicContact CG2-CD1 4.08Å; V542-L544 HydrophobicContact CG2-CG 4.05Å; L544-L559 HydrophobicContact CD1-CD2 4.28Å
545	T	96.7	Very high	93.4	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.031	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	123.9	176.5	-55.5	0	0	0	0	110.5	W489 T490 A522 V523 T525 I581	W489-T545 CarbonylContact O-C 3.53Å; W489-T545 VanDerWaalsContact O-CA 3.29Å; W489-T545 WeakPolarHBondContact O-CA 3.46Å; T490-T545 HydrophobicContact CG2-CG2 4.19Å; A522-T545 CarbonylContact C-O 3.49Å; A522-T545 WeakPolarHBondContact CA-O 3.37Å; A522-T545 WeakPolarHBondContact CB-O 3.38Å; V523-T545 PolarHBondContact N-O 2.93Å; V523-T545 PolarHBondContact O-N 2.98Å; T525-T545 VanDerWaalsContact CG2-OG1 3.23Å; T525-T545 WeakPolarHBondContact CG2-OG1 3.45Å; T545-I581 HydrophobicContact CG2-CD1 3.61Å; T545-I581 WeakPolarHBondContact OG1-CD1 3.42Å
546	F	96.4	Very high	93.5	Very high	1 Å²	1	41.4 Å²	41.4	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	139.7	174.1	-69.3	-64.8	0	0	0	111.5	W489 I491 L513 I515 Q520 A522 Q549 E551 I553	W489-F546 HydrophobicContact CE3-CB 4.29Å; W489-F546 VanDerWaalsContact CE3-O 3.25Å; W489-F546 WeakPolarHBondContact CZ3-O 3.36Å; W489-F546 WeakPolarHBondContact O-CD2 3.31Å; W489-F546 PolarHBondContact O-N 3.37Å; I491-F546 HydrophobicContact CD1-CE2 4.34Å; I491-F546 HydrophobicContact CD1-CZ 4.11Å; I491-F546 HydrophobicContact CG2-CE2 4.27Å; L513-F546 HydrophobicContact CB-CE1 4.46Å; L513-F546 HydrophobicContact CD1-CE1 3.77Å; L513-F546 HydrophobicContact CD1-CZ 4.04Å; I515-F546 HydrophobicContact CD1-CZ 4.45Å; Q520-F546 HydrophobicContact CB-CD1 3.87Å; Q520-F546 HydrophobicContact CB-CE1 4.16Å; Q520-F546 HydrophobicContact CG-CD1 4.19Å; A522-F546 HydrophobicContact CB-CD1 4.14Å; A522-F546 HydrophobicContact CB-CE1 4.39Å; F546-Q549 WeakPolarHBondContact CB-O 3.22Å; F546-E551 HydrophobicContact CD1-CG 4.39Å; F546-E551 HydrophobicContact CD2-CB 4.36Å; F546-E551 HydrophobicContact CD2-CG 4.27Å; F546-E551 HydrophobicContact CE1-CG 4.42Å; F546-E551 HydrophobicContact CE2-CB 4.13Å; F546-E551 HydrophobicContact CE2-CG 4.33Å; F546-E551 HydrophobicContact CG-CG 4.32Å; F546-E551 HydrophobicContact CZ-CB 4.43Å; F546-E551 HydrophobicContact CZ-CG 4.42Å; F546-I553 HydrophobicContact CE2-CD1 3.35Å; F546-I553 HydrophobicContact CZ-CD1 3.31Å
547	I	95.7	Very high	93.8	Very high	67 Å²	67	40.9 Å²	40.9	34%	0.344	21%	0.211	S	C	.	.	S	Bend	trans	-85.6	-36.6	-173.3	-61	178.3	0	0	0	112.1	Q510 T521 V523	Q510-I547 HydrophobicContact CG-CD1 4.17Å; T521-I547 HydrophobicContact CG2-CD1 3.53Å; T521-I547 PolarHBondContact O-N 3.19Å; V523-I547 HydrophobicContact CG2-CD1 3.73Å; V523-I547 HydrophobicContact CG2-CG1 3.76Å
548	R	94.3	Very high	94.2	Very high	155 Å²	155	39 Å²	39	59%	0.585	20%	0.199	S	C	*	.	S	Bend	trans	-101.8	-43.3	-166	176.1	174	52.9	-137.6	-3.1	113.4
549	Q	94.6	Very high	94.3	Very high	9 Å²	9	35.7 Å²	35.7	4%	0.042	18%	0.183	C	C	.	.	S	Bend	trans	-159.7	156.4	-173.2	68.5	-160.6	4.1	0	0	110.4	R473 Q520 F546 E551	R473-Q549 VanDerWaalsContact CZ-CD 3.4Å; R473-Q549 VanDerWaalsContact NE-NE2 3.19Å; Q520-Q549 PolarHBondContact NE2-O 3.41Å; Q520-Q549 PolarHBondContact OE1-O 3.41Å; F546-Q549 WeakPolarHBondContact CB-O 3.22Å; Q549-E551 PolarHBondContact NE2-OE1 3.42Å
550	P	95.4	Very high	94.4	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.013	16%	0.155	C	C	.	.			trans	-73.6	146.9	174.2	33.5	-33.2	0	0	0	110.2	P430 Q432 G434 A487 S488 W489	P430-P550 WeakPolarHBondContact CG-O 3.28Å; Q432-P550 WeakPolarHBondContact O-CD 3.4Å; G434-P550 VanDerWaalsContact CA-CG 3.48Å; A487-P550 HydrophobicContact CB-CB 3.8Å; A487-P550 HydrophobicContact CB-CG 3.99Å; S488-P550 WeakPolarHBondContact O-CA 3.45Å; W489-P550 HydrophobicContact CD2-CB 4.07Å; W489-P550 HydrophobicContact CG-CB 4.03Å; W489-P550 VanDerWaalsContact CZ2-CD 3.49Å; W489-P550 HydrophobicContact CZ2-CG 4.32Å
551	E	96.1	Very high	94.3	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.009	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-120.7	150.3	-177.5	-61.7	-71.6	-175.6	0	0	110.5	R473 S488 V518 Q520 F546 Q549 I553	R473-E551 IonicContact CZ-OE1 3.65Å; R473-E551 IonicContact CZ-OE2 2.8Å; R473-E551 VanDerWaalsContact CZ-OE2 3.3Å; R473-E551 IonicContact NH1-OE1 3.43Å; R473-E551 PolarHBondContact NH1-OE1 3.09Å; R473-E551 IonicContact NH1-OE2 3.41Å; R473-E551 PolarHBondContact NH1-OE2 2.89Å; R473-E551 IonicContact NH2-OE1 3.93Å; R473-E551 IonicContact NH2-OE2 3.58Å; R473-E551 PolarHBondContact NH2-OE2 2.74Å; S488-E551 PolarHBondContact N-O 3.48Å; S488-E551 PolarHBondContact O-N 2.8Å; V518-E551 HydrophobicContact CG1-CB 3.98Å; V518-E551 HydrophobicContact CG1-CG 3.6Å; V518-E551 HydrophobicContact CG2-CB 4.29Å; Q520-E551 PolarHBondContact NE2-OE1 3.49Å; F546-E551 HydrophobicContact CD1-CG 4.39Å; F546-E551 HydrophobicContact CD2-CB 4.36Å; F546-E551 HydrophobicContact CD2-CG 4.27Å; F546-E551 HydrophobicContact CE1-CG 4.42Å; F546-E551 HydrophobicContact CE2-CB 4.13Å; F546-E551 HydrophobicContact CE2-CG 4.33Å; F546-E551 HydrophobicContact CG-CG 4.32Å; F546-E551 HydrophobicContact CZ-CB 4.43Å; F546-E551 HydrophobicContact CZ-CG 4.42Å; Q549-E551 PolarHBondContact NE2-OE1 3.42Å; E551-I553 HydrophobicContact CB-CD1 4.17Å; E551-I553 HydrophobicContact CB-CG1 4.25Å; E551-I553 PolarHBondContact O-N 2.97Å
552	F	94.9	Very high	94	Very high	23 Å²	23	32.8 Å²	32.8	10%	0.101	15%	0.154	C	C	.	.			trans	-83.5	111.1	171.9	178	-96	0	0	0	109	P430 F436 V477 I479 P485 T554	P430-F552 HydrophobicContact CG-CB 4.35Å; F436-F552 HydrophobicContact CZ-CB 4.35Å; F436-F552 HydrophobicContact CZ-CD2 4.32Å; V477-F552 HydrophobicContact CB-CD1 4.5Å; V477-F552 HydrophobicContact CG1-CD1 3.99Å; V477-F552 HydrophobicContact CG2-CB 4.07Å; V477-F552 HydrophobicContact CG2-CD1 3.85Å; V477-F552 HydrophobicContact CG2-CG 3.97Å; I479-F552 HydrophobicContact CD1-CD1 3.9Å; I479-F552 HydrophobicContact CD1-CD2 4.03Å; I479-F552 HydrophobicContact CD1-CE1 3.5Å; I479-F552 HydrophobicContact CD1-CE2 3.64Å; I479-F552 HydrophobicContact CD1-CG 4.14Å; I479-F552 HydrophobicContact CD1-CZ 3.36Å; P485-F552 HydrophobicContact CB-CD2 3.97Å; P485-F552 HydrophobicContact CB-CE2 3.81Å; F552-T554 HydrophobicContact CE1-CG2 3.84Å; F552-T554 HydrophobicContact CZ-CG2 3.8Å
553	I	94.2	Very high	93.6	Very high	9 Å²	9	37 Å²	37	5%	0.046	17%	0.173	C	C	.	.			trans	-131.5	140.2	-179	-64.2	168.9	0	0	0	108.1	I491 I515 F546 E551 V572 V575	I491-I553 HydrophobicContact CD1-CD1 4.09Å; I491-I553 HydrophobicContact CG2-CD1 3.96Å; I515-I553 HydrophobicContact CD1-CD1 3.85Å; I515-I553 HydrophobicContact CG2-CG2 4.27Å; F546-I553 HydrophobicContact CE2-CD1 3.35Å; F546-I553 HydrophobicContact CZ-CD1 3.31Å; E551-I553 HydrophobicContact CB-CD1 4.17Å; E551-I553 HydrophobicContact CB-CG1 4.25Å; E551-I553 PolarHBondContact O-N 2.97Å; I553-V572 HydrophobicContact CG2-CB 4.34Å; I553-V572 HydrophobicContact CG2-CG1 3.98Å; I553-V572 HydrophobicContact CG2-CG2 3.99Å; I553-V575 HydrophobicContact CB-CG1 4.27Å; I553-V575 HydrophobicContact CG2-CG1 4.02Å
554	T	91.5	Very high	92.9	Very high	32 Å²	32	38.8 Å²	38.8	20%	0.196	19%	0.194	C	C	.	.			trans	-105.3	145.1	175.9	50.5	0	0	0	0	110.3	F552 S557	F552-T554 HydrophobicContact CE1-CG2 3.84Å; F552-T554 HydrophobicContact CZ-CG2 3.8Å; T554-S557 WeakPolarHBondContact O-CB 3.39Å; T554-S557 PolarHBondContact O-N 3.36Å; T554-S557 PolarHBondContact O-OG 3.48Å; T554-S557 PolarHBondContact OG1-OG 2.96Å; T554-S557 VanDerWaalsContact OG1-OG 3.1Å
555	P	92.2	Very high	92.1	Very high	70 Å²	70	46 Å²	46	46%	0.455	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	152.4	168.2	-26.1	35.4	0	0	0	111.7	S557 V575	P555-S557 PolarHBondContact O-N 2.82Å; P555-V575 HydrophobicContact CG-CG2 4.3Å
556	E	91.8	Very high	91.5	Very high	117 Å²	117	46 Å²	46	55%	0.547	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	6	-173.3	-55.7	-59.6	120.7	0	0	115.1	R558 V572 R573	E556-R558 PolarHBondContact O-N 3.3Å; E556-V572 WeakPolarHBondContact CA-O 3.29Å; E556-V572 PolarHBondContact N-O 2.79Å; E556-R573 VanDerWaalsContact CD-NH1 3.3Å; E556-R573 IonicContact OE1-CZ 3.53Å; E556-R573 IonicContact OE1-NH1 2.78Å; E556-R573 PolarHBondContact OE1-NH1 2.86Å; E556-R573 IonicContact OE2-NH1 3.61Å; E556-R573 PolarHBondContact OE2-NH1 2.99Å
557	S	92.2	Very high	91	Very high	23 Å²	23	47.7 Å²	47.7	16%	0.161	23%	0.233	C	C	.	.			trans	-64.3	127.7	170.3	-69.4	0	0	0	0	110.8	T554 P555 V572	T554-S557 WeakPolarHBondContact O-CB 3.39Å; T554-S557 PolarHBondContact O-N 3.36Å; T554-S557 PolarHBondContact O-OG 3.48Å; T554-S557 PolarHBondContact OG1-OG 2.96Å; T554-S557 VanDerWaalsContact OG1-OG 3.1Å; P555-S557 PolarHBondContact O-N 2.82Å; S557-V572 WeakPolarHBondContact O-CG2 3.44Å; S557-V572 PolarHBondContact O-N 2.89Å
558	R	92.1	Very high	90.6	Very high	98 Å²	98	44.5 Å²	44.5	37%	0.37	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	140.1	171	-65.5	-76.7	175.9	177	8	109.7	L293 E294 E556 G570	L293-R558 HydrophobicContact CD2-CB 4.25Å; E294-R558 IonicContact OE1-CZ 3.95Å; E294-R558 IonicContact OE1-NH1 3.87Å; E294-R558 IonicContact OE1-NH2 2.76Å; E294-R558 PolarHBondContact OE1-NH2 3.07Å; E294-R558 IonicContact OE2-CZ 2.95Å; E294-R558 IonicContact OE2-NE 2.61Å; E294-R558 IonicContact OE2-NH2 3.16Å; E294-R558 PolarHBondContact OE2-NH2 2.86Å; E556-R558 PolarHBondContact O-N 3.3Å; R558-G570 WeakPolarHBondContact CA-O 3.4Å
559	L	92.7	Very high	90.4	Very high	2 Å²	2	39 Å²	39	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	148.2	175.1	73.7	83.1	0	0	0	111.2	A493 V495 L513 H514 I515 L544 F561 I569 G570 V572	A493-L559 HydrophobicContact CB-CD2 3.38Å; V495-L559 HydrophobicContact CG1-CD1 4.24Å; L513-L559 HydrophobicContact CD2-CD1 4.39Å; H514-L559 WeakPolarHBondContact O-CA 3.35Å; I515-L559 HydrophobicContact CD1-CB 3.94Å; I515-L559 HydrophobicContact CD1-CD2 4.45Å; I515-L559 HydrophobicContact CG1-CB 3.55Å; L544-L559 HydrophobicContact CD1-CD2 4.28Å; L559-F561 HydrophobicContact CD1-CB 4.27Å; L559-F561 HydrophobicContact CD1-CD1 3.72Å; L559-I569 CarbonylContact O-C 3.6Å; L559-I569 WeakPolarHBondContact O-CA 3.3Å; L559-G570 PolarHBondContact N-O 3.28Å; L559-G570 PolarHBondContact O-N 2.81Å; L559-V572 HydrophobicContact CD2-CG2 4.03Å
560	L	92.3	Very high	90.3	Very high	3 Å²	3	39 Å²	39	2%	0.016	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	130.6	164.1	-175.7	156.1	0	0	0	107.7	I242 W289 L513 H514 R562	I242-L560 HydrophobicContact CD1-CD2 4.02Å; I242-L560 HydrophobicContact CG2-CD1 4.12Å; I242-L560 HydrophobicContact CG2-CD2 3.98Å; I242-L560 HydrophobicContact CG2-CG 4.48Å; W289-L560 HydrophobicContact CB-CD1 4.31Å; W289-L560 HydrophobicContact CD2-CD1 4.46Å; W289-L560 HydrophobicContact CG-CD1 3.86Å; L513-L560 CarbonylContact C-O 3.57Å; L513-L560 WeakPolarHBondContact CA-O 3.49Å; H514-L560 HydrophobicContact CB-CB 4.37Å; H514-L560 PolarHBondContact N-O 3.45Å; H514-L560 PolarHBondContact O-N 3.34Å; L560-R562 HydrophobicContact CD2-CB 4.46Å
561	F	92.1	Very high	90.2	Very high	6 Å²	6	39.5 Å²	39.5	3%	0.026	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	144.7	176.4	71.4	-92.7	0	0	0	111.6	V495 V497 I505 V511 T512 L513 L559 G568	V495-F561 HydrophobicContact CB-CE1 3.77Å; V495-F561 HydrophobicContact CB-CZ 4.44Å; V495-F561 HydrophobicContact CG1-CD1 4.31Å; V495-F561 HydrophobicContact CG1-CE1 4.03Å; V495-F561 HydrophobicContact CG2-CE1 4.49Å; V497-F561 HydrophobicContact CG2-CZ 4.07Å; I505-F561 HydrophobicContact CD1-CE2 4.24Å; V511-F561 HydrophobicContact CB-CB 4.11Å; V511-F561 HydrophobicContact CB-CD2 4.28Å; V511-F561 HydrophobicContact CG1-CD2 3.89Å; V511-F561 HydrophobicContact CG2-CB 4.09Å; T512-F561 CarbonylContact O-C 3.51Å; T512-F561 VanDerWaalsContact O-CA 3.29Å; T512-F561 WeakPolarHBondContact O-CA 3.27Å; L513-F561 HydrophobicContact CD2-CB 3.47Å; L513-F561 VanDerWaalsContact CD2-CB 3.47Å; L559-F561 HydrophobicContact CD1-CB 4.27Å; L559-F561 HydrophobicContact CD1-CD1 3.72Å; F561-G568 WeakPolarHBondContact CD1-O 3.14Å; F561-G568 PolarHBondContact N-O 3.46Å; F561-G568 PolarHBondContact O-N 3.25Å
562	R	89.1	Confident	90.2	Very high	48 Å²	48	39.4 Å²	39.4	18%	0.181	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	144.8	-177.5	-162.1	179.9	65	88.9	-3.3	112.5	T512 L560 G564 T566 K567	T512-R562 PolarHBondContact N-O 2.89Å; T512-R562 PolarHBondContact O-N 2.85Å; L560-R562 HydrophobicContact CD2-CB 4.46Å; R562-G564 PolarHBondContact NH1-O 2.85Å; R562-T566 VanDerWaalsContact CA-O 3.25Å; R562-T566 WeakPolarHBondContact CA-O 3.09Å; R562-T566 WeakPolarHBondContact CG-O 3.45Å; R562-K567 HydrophobicContact CG-CG 4.36Å
563	H	88.2	Confident	90.2	Very high	89 Å²	89	43.1 Å²	43.1	41%	0.412	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	108.4	166.8	-175.7	92.8	0	0	0	109.9	F509 Q510 V511 K565 T566	F509-H563 HydrophobicContact CE1-CB 3.83Å; F509-H563 HydrophobicContact CZ-CB 3.72Å; F509-H563 AromaticContact CZ-CD2 3.68Å; F509-H563 AromaticContact CZ-CG 3.69Å; Q510-H563 WeakPolarHBondContact O-CB 3.38Å; Q510-H563 PolarHBondContact O-ND1 3.34Å; V511-H563 HydrophobicContact CG1-CB 4.35Å; H563-K565 PolarHBondContact O-N 3.17Å; H563-T566 PolarHBondContact N-O 2.74Å; H563-T566 WeakPolarHBondContact O-CA 3.22Å; H563-T566 WeakPolarHBondContact O-CB 3.32Å; H563-T566 PolarHBondContact O-N 2.81Å; H563-T566 PolarHBondContact O-OG1 3.12Å
564	G	82.2	Confident	90.2	Very high	49 Å²	49	47 Å²	47	51%	0.505	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	-118.6	-172	0	0	0	0	0	111.3	R562	R562-G564 PolarHBondContact NH1-O 2.85Å
565	K	78.5	Confident	90.2	Very high	155 Å²	155	47.7 Å²	47.7	67%	0.674	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-17.3	173.4	-62.8	-175.4	178.3	-178.7	0	113.4	Y499 H563 K567	Y499-K565 HydrophobicContact CD1-CB 4.43Å; Y499-K565 WeakPolarHBondContact CD1-O 3.34Å; Y499-K565 HydrophobicContact CE1-CB 3.97Å; H563-K565 PolarHBondContact O-N 3.17Å; K565-K567 PolarHBondContact O-N 3.03Å
566	T	84.8	Confident	89.5	Confident	7 Å²	7	48.1 Å²	48.1	4%	0.043	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	129.9	179.9	-50.2	0	0	0	0	110.2	Y499 H500 I505 R562 H563	Y499-T566 CarbonylContact O-C 3.51Å; Y499-T566 WeakPolarHBondContact O-CA 2.9Å; H500-T566 HydrophobicContact CB-CG2 4.01Å; H500-T566 VanDerWaalsContact ND1-CG2 3.34Å; H500-T566 WeakPolarHBondContact ND1-CG2 3.19Å; H500-T566 PolarHBondContact ND1-OG1 3.33Å; I505-T566 HydrophobicContact CD1-CG2 3.79Å; R562-T566 VanDerWaalsContact CA-O 3.25Å; R562-T566 WeakPolarHBondContact CA-O 3.09Å; R562-T566 WeakPolarHBondContact CG-O 3.45Å; H563-T566 PolarHBondContact N-O 2.74Å; H563-T566 WeakPolarHBondContact O-CA 3.22Å; H563-T566 WeakPolarHBondContact O-CB 3.32Å; H563-T566 PolarHBondContact O-N 2.81Å; H563-T566 PolarHBondContact O-OG1 3.12Å
567	K	85.2	Confident	88.6	Confident	35 Å²	35	44.9 Å²	44.9	15%	0.152	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	138.3	-178.7	-67.2	161.3	-176.4	165.8	0	109.1	D285 M498 Y499 R562 K565	D285-K567 IonicContact OD1-NZ 3.38Å; D285-K567 PolarHBondContact OD1-NZ 3.47Å; D285-K567 IonicContact OD2-NZ 3.77Å; D285-K567 PolarHBondContact OD2-NZ 2.71Å; M498-K567 PolarHBondContact N-O 3.44Å; Y499-K567 PolarHBondContact N-O 2.84Å; Y499-K567 VanDerWaalsContact N-O 3.09Å; Y499-K567 PolarHBondContact O-N 2.93Å; R562-K567 HydrophobicContact CG-CG 4.36Å; K565-K567 PolarHBondContact O-N 3.03Å
568	G	87.7	Confident	86.8	Confident	1 Å²	1	51 Å²	51	1%	0.01	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	174.8	167.4	0	0	0	0	0	112.3	F496 F561	F496-G568 CarbonylContact O-C 3.59Å; F496-G568 WeakPolarHBondContact O-CA 3.42Å; F561-G568 WeakPolarHBondContact CD1-O 3.14Å; F561-G568 PolarHBondContact N-O 3.46Å; F561-G568 PolarHBondContact O-N 3.25Å
569	I	90.7	Very high	84.6	Confident	40 Å²	40	51.3 Å²	51.3	21%	0.205	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	161.5	-167.7	64.2	170.6	0	0	0	108.2	A292 V495 F496 M498 L559	A292-I569 HydrophobicContact CB-CB 4.23Å; A292-I569 HydrophobicContact CB-CD1 4.01Å; A292-I569 HydrophobicContact CB-CG2 3.44Å; A292-I569 VanDerWaalsContact CB-CG2 3.44Å; V495-I569 CarbonylContact C-O 3.56Å; V495-I569 VanDerWaalsContact CA-O 3.24Å; V495-I569 WeakPolarHBondContact CA-O 3.4Å; F496-I569 HydrophobicContact CB-CG1 4.01Å; F496-I569 HydrophobicContact CD1-CD1 4.26Å; F496-I569 HydrophobicContact CD1-CG1 4.12Å; F496-I569 PolarHBondContact N-O 3.45Å; F496-I569 PolarHBondContact O-N 3.18Å; M498-I569 HydrophobicContact CG-CG2 4.4Å; M498-I569 HydrophobicContact SD-CG2 3.68Å; L559-I569 CarbonylContact O-C 3.6Å; L559-I569 WeakPolarHBondContact O-CA 3.3Å
570	G	92	Very high	82	Confident	9 Å²	9	58.7 Å²	58.7	9%	0.093	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.3	-176.9	175.9	0	0	0	0	0	114.3	D494 R558 L559	D494-G570 CarbonylContact O-C 3.5Å; D494-G570 WeakPolarHBondContact O-CA 3.28Å; R558-G570 WeakPolarHBondContact CA-O 3.4Å; L559-G570 PolarHBondContact N-O 3.28Å; L559-G570 PolarHBondContact O-N 2.81Å
571	V	94.4	Very high	79.6	Confident	12 Å²	12	62.1 Å²	62.1	7%	0.073	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	129.3	176.2	-176.5	0	0	0	0	108.3	A493 D494 R573	A493-V571 CarbonylContact C-O 3.55Å; A493-V571 WeakPolarHBondContact CA-O 3.13Å; A493-V571 WeakPolarHBondContact CB-O 3.3Å; D494-V571 PolarHBondContact N-O 3.37Å; D494-V571 PolarHBondContact O-N 2.8Å; V571-R573 PolarHBondContact O-N 3.02Å
572	V	95.6	Very high	76.6	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	126.3	172.2	-179.3	0	0	0	0	108.9	I491 I515 I553 E556 S557 L559 V575	I491-V572 HydrophobicContact CB-CG1 4.27Å; I491-V572 HydrophobicContact CD1-CG2 4.07Å; I515-V572 HydrophobicContact CD1-CG2 4.17Å; I553-V572 HydrophobicContact CG2-CB 4.34Å; I553-V572 HydrophobicContact CG2-CG1 3.98Å; I553-V572 HydrophobicContact CG2-CG2 3.99Å; E556-V572 WeakPolarHBondContact CA-O 3.29Å; E556-V572 PolarHBondContact N-O 2.79Å; S557-V572 WeakPolarHBondContact O-CG2 3.44Å; S557-V572 PolarHBondContact O-N 2.89Å; L559-V572 HydrophobicContact CD2-CG2 4.03Å; V572-V575 HydrophobicContact CG1-CG1 3.69Å
573	R	95.2	Very high	74.1	Confident	101 Å²	101	70.9 Å²	70.9	38%	0.381	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-46.1	178.3	-64.2	-55	-171.5	-169.2	-2.2	112	R492 D494 E556 V571	R492-R573 PolarHBondContact O-N 2.99Å; D494-R573 WeakPolarHBondContact OD2-CG 3.3Å; D494-R573 IonicContact OD2-CZ 2.68Å; D494-R573 IonicContact OD2-NE 3.6Å; D494-R573 PolarHBondContact OD2-NE 2.82Å; D494-R573 IonicContact OD2-NH2 3.56Å; E556-R573 VanDerWaalsContact CD-NH1 3.3Å; E556-R573 IonicContact OE1-CZ 3.53Å; E556-R573 IonicContact OE1-NH1 2.78Å; E556-R573 PolarHBondContact OE1-NH1 2.86Å; E556-R573 IonicContact OE2-NH1 3.61Å; E556-R573 PolarHBondContact OE2-NH1 2.99Å; V571-R573 PolarHBondContact O-N 3.02Å
574	E	93.9	Very high	71.4	Confident	91 Å²	91	72.3 Å²	72.3	43%	0.425	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	147.3	-176.4	-59.3	172.2	168	0	0	109.6	I491 R492 L577	I491-E574 WeakPolarHBondContact CA-O 3.29Å; R492-E574 HydrophobicContact CB-CB 3.92Å; R492-E574 WeakPolarHBondContact CD-OE2 3.45Å; R492-E574 PolarHBondContact N-O 2.81Å; R492-E574 PolarHBondContact O-N 2.75Å; E574-L577 HydrophobicContact CB-CD2 4.04Å; E574-L577 WeakPolarHBondContact OE2-CD2 3.44Å
575	V	91.3	Very high	68.8	Low	45 Å²	45	75.8 Å²	75.8	27%	0.273	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	154.4	176.9	-61.4	0	0	0	0	108.7	I491 I553 P555 V572	I491-V575 HydrophobicContact CG2-CG1 4.03Å; I553-V575 HydrophobicContact CB-CG1 4.27Å; I553-V575 HydrophobicContact CG2-CG1 4.02Å; P555-V575 HydrophobicContact CG-CG2 4.3Å; V572-V575 HydrophobicContact CG1-CG1 3.69Å
576	N	78.3	Confident	66.4	Low	79 Å²	79	77 Å²	77	42%	0.422	42%	0.42	S	S	.	.			trans	60.5	52.1	177.8	-162.2	33.7	0	0	0	113.6	V486 S488 T490 N578	V486-N576 HydrophobicContact CG1-CB 4.4Å; S488-N576 WeakPolarHBondContact OG-CA 3.48Å; S488-N576 PolarHBondContact OG-N 3.31Å; T490-N576 PolarHBondContact O-N 3.23Å; T490-N576 VanDerWaalsContact O-N 3.09Å; N576-N578 PolarHBondContact O-N 3.32Å
577	L	71.4	Confident	63.7	Low	49 Å²	49	82.9 Å²	82.9	26%	0.257	46%	0.456	S	S	.	.			trans	-69	118.7	170.8	-55.8	166.8	0	0	0	108.1	T490 R492 T543 E574	T490-L577 PolarHBondContact OG1-N 3.15Å; T490-L577 PolarHBondContact OG1-O 3.44Å; R492-L577 HydrophobicContact CB-CD1 4.04Å; T543-L577 HydrophobicContact CG2-CD1 3.81Å; E574-L577 HydrophobicContact CB-CD2 4.04Å; E574-L577 WeakPolarHBondContact OE2-CD2 3.44Å
578	N	55.6	Low	60.9	Low	151 Å²	151	86.4 Å²	86.4	81%	0.807	48%	0.481	S	S	*	.			trans	-29.2	131.2	-171.3	-70.4	-24.3	0	0	0	116.3	N576 N580	N576-N578 PolarHBondContact O-N 3.32Å; N578-N580 PolarHBondContact O-N 2.84Å
579	S	45.7	Very low	58	Low	105 Å²	105	94.8 Å²	94.8	73%	0.734	53%	0.525	S	S	*	.	S	Bend	trans	-72.7	67.8	-168.4	53.2	0	0	0	0	115.8
580	N	37	Very low	54.9	Low	158 Å²	158	100.9 Å²	100.9	85%	0.845	55%	0.553	S	S	*	*			trans	-112.8	45.1	164.4	-77.2	-12.5	0	0	0	111.6	N578	N578-N580 PolarHBondContact O-N 2.84Å
581	I	42	Very low	51.8	Low	74 Å²	74	108.4 Å²	108.4	38%	0.379	59%	0.59	S	S	.	*			trans	-96.5	101.6	174.4	-58.5	-167.7	0	0	0	109.4	T490 T545	T490-I581 HydrophobicContact CG2-CD1 3.12Å; T490-I581 HydrophobicContact CG2-CG1 4.22Å; T545-I581 HydrophobicContact CG2-CD1 3.61Å; T545-I581 WeakPolarHBondContact OG1-CD1 3.42Å
582	T	29.4	Very low	48.7	Very low	135 Å²	135	116.1 Å²	116.1	83%	0.828	63%	0.63	S	S	*	*			trans	-76.1	113.8	155.8	33.1	0	0	0	0	108
583	F	36.1	Very low	45.4	Very low	104 Å²	104	127.7 Å²	127.7	46%	0.456	67%	0.674	S	S	.	*			trans	-62.7	140.7	162.8	-70.2	-83.7	0	0	0	108.2	W489 C585	W489-F583 HydrophobicContact CE3-CZ 4.09Å; W489-F583 HydrophobicContact CH2-CZ 4.47Å; W489-F583 AromaticContact CZ3-CZ 3.91Å; W489-F583 HydrophobicContact CZ3-CZ 3.91Å; F583-C585 VanDerWaalsContact C-N 3.3Å; F583-C585 PolarHBondContact O-N 3.41Å
584	P	33.4	Very low	42.6	Very low	119 Å²	119	129 Å²	129	77%	0.773	70%	0.695	S	S	*	*			trans	-61.1	104.3	160.7	25.1	-27.8	0	0	0	105.9	E586	P584-E586 PolarHBondContact O-N 3.44Å; P584-E586 VanDerWaalsContact O-N 3.09Å
585	C	26.2	Very low	39.7	Very low	122 Å²	122	133.6 Å²	133.6	82%	0.824	74%	0.738	S	S	*	*			trans	-50.5	120	175.3	-152.7	0	0	0	0	106.8	F583 T587	F583-C585 VanDerWaalsContact C-N 3.3Å; F583-C585 PolarHBondContact O-N 3.41Å; C585-T587 PolarHBondContact O-N 3.15Å
586	E	28.7	Very low	37.1	Very low	181 Å²	181	138.1 Å²	138.1	85%	0.846	76%	0.761	S	S	*	*			trans	-49.9	118.7	176.4	-75.4	-179.8	157	0	0	108.1	P584 T588	P584-E586 PolarHBondContact O-N 3.44Å; P584-E586 VanDerWaalsContact O-N 3.09Å; E586-T588 PolarHBondContact O-N 2.95Å
587	T	27.7	Very low	34.9	Very low	130 Å²	130	141.2 Å²	141.2	80%	0.798	78%	0.779	S	S	*	*	S	Bend	trans	-50.4	106.8	165.8	19	0	0	0	0	108.2	C585	C585-T587 PolarHBondContact O-N 3.15Å
588	T	26.6	Very low	32.9	Very low	108 Å²	108	146.3 Å²	146.3	66%	0.663	81%	0.808	S	S	*	*			trans	52.8	108.7	147.3	52	0	0	0	0	116.7	E586 E590	E586-T588 PolarHBondContact O-N 2.95Å; T588-E590 PolarHBondContact O-N 2.99Å
589	N	26.1	Very low	31.5	Very low	178 Å²	178	146 Å²	146	95%	0.952	81%	0.808	S	S	*	*	S	Bend	trans	-53.2	48.4	165.2	-86.6	-38.1	0	0	0	115.8
590	E	26.8	Very low	30.7	Very low	168 Å²	168	148.6 Å²	148.6	79%	0.785	81%	0.812	S	S	*	*			trans	-114.7	3.2	-173.9	-86.5	-166.8	163.7	0	0	117.1	T588	T588-E590 PolarHBondContact O-N 2.99Å
591	L	27.5	Very low	30.2	Very low	167 Å²	167	147.9 Å²	147.9	87%	0.874	81%	0.81	S	S	*	*	S	Bend	trans	-122.3	14	-173.3	-80	167.1	0	0	0	118.5
592	L	28.8	Very low	29.4	Very low	173 Å²	173	153.2 Å²	153.2	91%	0.906	84%	0.841	S	S	*	*			trans	-137.2	65.2	172.3	-67.6	170.4	0	0	0	112.3
593	R	26.6	Very low	29.4	Very low	243 Å²	243	154.6 Å²	154.6	92%	0.917	84%	0.842	S	S	*	*			trans	-89.9	122.8	147.9	-76	-172.3	-179.9	-173.9	1.4	107.1	S595	R593-S595 PolarHBondContact O-N 3.21Å
594	P	35.2	Very low	28.8	Very low	128 Å²	128	158.8 Å²	158.8	83%	0.831	87%	0.874	S	S	*	*			trans	-66.5	124.3	175.8	27.5	-29.2	0	0	0	108.5
595	S	32.5	Very low	28.4	Very low	189 Å²	189	162.5 Å²	162.5	100%	1.322	88%	0.883	S	S	*	*			trans	-70.7	0	156.1	55.5	0	0	0	0	110.4	R593	R593-S595 PolarHBondContact O-N 3.21Å

Retrieved 595 of 595 residues in 103.3 ms (Link to these results)

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