A0AA82N860_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N860, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 291 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.4	Very low	62.5	Low	231 Å²	231	133.6 Å²	133.6	100%	1.138	66%	0.664	S	S	*	*				0	114.5	0	-80.5	171.9	178.2	0	0	108.2	Y3	M1-Y3 PolarHBondContact O-N 3.38Å
2	R	48.3	Very low	63.1	Low	246 Å²	246	132.1 Å²	132.1	93%	0.928	66%	0.659	S	S	*	*			trans	-84.4	104.4	169.2	-70.3	-176.5	177.9	-173.8	-0.9	106.6	M4	R2-M4 PolarHBondContact O-N 3.15Å; R2-M4 VanDerWaalsContact O-N 3.15Å
3	Y	57.6	Low	63	Low	210 Å²	210	133.3 Å²	133.3	82%	0.824	66%	0.658	S	S	*	*			trans	-68.1	108.9	172.1	-113.6	-94	0	0	0	107.5	M1 I5	M1-Y3 PolarHBondContact O-N 3.38Å; Y3-I5 PolarHBondContact O-N 3.26Å
4	M	57.4	Low	62.6	Low	171 Å²	171	131.2 Å²	131.2	84%	0.842	65%	0.651	S	S	*	*			trans	-82.3	108.1	169.9	-66.1	-154.2	78.4	0	0	107.4	R2 S6	R2-M4 PolarHBondContact O-N 3.15Å; R2-M4 VanDerWaalsContact O-N 3.15Å; M4-S6 PolarHBondContact O-N 3.42Å
5	I	60.9	Low	62.2	Low	104 Å²	104	128.8 Å²	128.8	53%	0.533	64%	0.641	S	S	.	*			trans	-62.3	122.4	171	-60.8	174.7	0	0	0	106.7	Y3 Q9 L10	Y3-I5 PolarHBondContact O-N 3.26Å; I5-Q9 HydrophobicContact CG2-CB 3.55Å; I5-L10 HydrophobicContact CG2-CG 3.99Å
6	S	68.9	Low	61.8	Low	60 Å²	60	125.5 Å²	125.5	42%	0.42	63%	0.629	S	S	.	*			trans	-63.7	147.2	178.2	163.7	0	0	0	0	110.2	M4 A8 Q9 L10	M4-S6 PolarHBondContact O-N 3.42Å; S6-A8 PolarHBondContact O-N 2.9Å; S6-A8 VanDerWaalsContact O-N 3.1Å; S6-A8 PolarHBondContact OG-N 3.45Å; S6-Q9 WeakPolarHBondContact O-CB 3.26Å; S6-Q9 PolarHBondContact O-N 3.02Å; S6-L10 PolarHBondContact O-N 3.48Å; S6-L10 VanDerWaalsContact O-N 3.17Å
7	S	72.8	Confident	61.3	Low	88 Å²	88	122.4 Å²	122.4	62%	0.615	62%	0.618	S	S	*	*	H	α-helix	trans	-52.1	-33	175.7	47.2	0	0	0	0	112.9	L10 I11	S7-L10 PolarHBondContact O-N 3.44Å; S7-I11 VanDerWaalsContact O-CG1 3.31Å; S7-I11 WeakPolarHBondContact O-CG1 3.4Å; S7-I11 PolarHBondContact O-N 3.45Å
8	A	70.5	Confident	60.6	Low	63 Å²	63	118.7 Å²	118.7	52%	0.521	61%	0.606	S	S	.	*	H	α-helix	trans	-66.1	-36.4	175.1	0	0	0	0	0	113.2	S6 I11 L12	S6-A8 PolarHBondContact O-N 2.9Å; S6-A8 VanDerWaalsContact O-N 3.1Å; S6-A8 PolarHBondContact OG-N 3.45Å; A8-I11 PolarHBondContact O-N 3.04Å; A8-L12 PolarHBondContact O-N 2.89Å
9	Q	69.6	Low	59.7	Low	104 Å²	104	119.2 Å²	119.2	49%	0.486	61%	0.609	S	S	.	*	H	α-helix	trans	-72.1	-34.8	176.8	-71.3	175.8	-32.2	0	0	111.6	I5 S6 L12 F13	I5-Q9 HydrophobicContact CG2-CB 3.55Å; S6-Q9 WeakPolarHBondContact O-CB 3.26Å; S6-Q9 PolarHBondContact O-N 3.02Å; Q9-L12 PolarHBondContact O-N 3.1Å; Q9-F13 WeakPolarHBondContact O-CB 3.31Å; Q9-F13 PolarHBondContact O-N 3.39Å
10	L	66.7	Low	58.9	Low	88 Å²	88	117.2 Å²	117.2	46%	0.461	60%	0.603	S	S	.	*	H	α-helix	trans	-65	-41.5	172.1	-82.2	157.7	0	0	0	111.7	I5 S6 S7 F13 N14	I5-L10 HydrophobicContact CG2-CG 3.99Å; S6-L10 PolarHBondContact O-N 3.48Å; S6-L10 VanDerWaalsContact O-N 3.17Å; S7-L10 PolarHBondContact O-N 3.44Å; L10-F13 PolarHBondContact O-N 3.17Å; L10-N14 WeakPolarHBondContact O-CB 3.32Å; L10-N14 PolarHBondContact O-N 3.48Å; L10-N14 PolarHBondContact O-ND2 3.43Å
11	I	71.3	Confident	58.3	Low	105 Å²	105	115.4 Å²	115.4	54%	0.538	60%	0.601	S	S	.	*	H	α-helix	trans	-65.2	-43.6	176.6	-66.8	163.4	0	0	0	110.6	S7 A8 N14 L15	S7-I11 VanDerWaalsContact O-CG1 3.31Å; S7-I11 WeakPolarHBondContact O-CG1 3.4Å; S7-I11 PolarHBondContact O-N 3.45Å; A8-I11 PolarHBondContact O-N 3.04Å; I11-N14 PolarHBondContact O-N 3.01Å; I11-L15 HydrophobicContact CG2-CD1 3.87Å; I11-L15 WeakPolarHBondContact O-CB 3.31Å; I11-L15 WeakPolarHBondContact O-CG 3.35Å; I11-L15 PolarHBondContact O-N 3.03Å
12	L	69.9	Low	58.2	Low	115 Å²	115	109.5 Å²	109.5	60%	0.602	57%	0.574	S	S	*	*	H	α-helix	trans	-63.3	-43.6	176.7	-163.8	78.8	0	0	0	111.4	A8 Q9 L15 V16	A8-L12 PolarHBondContact O-N 2.89Å; Q9-L12 PolarHBondContact O-N 3.1Å; L12-L15 PolarHBondContact O-N 3.29Å; L12-V16 WeakPolarHBondContact O-CB 3.46Å; L12-V16 VanDerWaalsContact O-CG2 3.26Å; L12-V16 WeakPolarHBondContact O-CG2 3.41Å; L12-V16 PolarHBondContact O-N 3.25Å
13	F	62	Low	58.2	Low	148 Å²	148	102.9 Å²	102.9	65%	0.649	56%	0.561	S	S	*	*	H	α-helix	trans	-61.6	-43.9	174.8	-111.9	-85.6	0	0	0	111.9	Q9 L10 L15 V16 V17	Q9-F13 WeakPolarHBondContact O-CB 3.31Å; Q9-F13 PolarHBondContact O-N 3.39Å; L10-F13 PolarHBondContact O-N 3.17Å; F13-L15 VanDerWaalsContact C-N 3.35Å; F13-V16 PolarHBondContact O-N 3.17Å; F13-V17 HydrophobicContact CD1-CG2 4.39Å; F13-V17 VanDerWaalsContact O-CB 3.23Å; F13-V17 WeakPolarHBondContact O-CB 3.42Å; F13-V17 WeakPolarHBondContact O-CG2 3.4Å; F13-V17 PolarHBondContact O-N 3.21Å
14	N	56.6	Low	58	Low	104 Å²	104	100.2 Å²	100.2	56%	0.556	55%	0.554	S	S	*	*	H	α-helix	trans	-68.6	-33.5	177.6	-76.2	-62.1	0	0	0	112.3	L10 I11 S18	L10-N14 WeakPolarHBondContact O-CB 3.32Å; L10-N14 PolarHBondContact O-N 3.48Å; L10-N14 PolarHBondContact O-ND2 3.43Å; I11-N14 PolarHBondContact O-N 3.01Å; N14-S18 WeakPolarHBondContact O-CA 3.16Å; N14-S18 WeakPolarHBondContact O-CB 3.25Å; N14-S18 PolarHBondContact O-N 2.75Å
15	L	57.2	Low	58.2	Low	95 Å²	95	94.7 Å²	94.7	50%	0.497	53%	0.527	S	S	.	.	H	α-helix	trans	-67.6	-46.1	172.8	-83.4	163.8	0	0	0	111.1	I11 L12 F13 S18 L19	I11-L15 HydrophobicContact CG2-CD1 3.87Å; I11-L15 WeakPolarHBondContact O-CB 3.31Å; I11-L15 WeakPolarHBondContact O-CG 3.35Å; I11-L15 PolarHBondContact O-N 3.03Å; L12-L15 PolarHBondContact O-N 3.29Å; F13-L15 VanDerWaalsContact C-N 3.35Å; L15-S18 CarbonylContact O-C 3.58Å; L15-S18 PolarHBondContact O-N 3.07Å; L15-L19 WeakPolarHBondContact O-CB 3.28Å; L15-L19 VanDerWaalsContact O-CD1 3.31Å; L15-L19 WeakPolarHBondContact O-CD1 3.47Å; L15-L19 WeakPolarHBondContact O-CG 3.4Å; L15-L19 PolarHBondContact O-N 3.48Å
16	V	55.5	Low	58.6	Low	76 Å²	76	91.8 Å²	91.8	46%	0.461	52%	0.515	S	S	.	.	H	α-helix	trans	-63.7	-46.6	176.2	174	0	0	0	0	110.1	L12 F13 S18 L19 T20	L12-V16 WeakPolarHBondContact O-CB 3.46Å; L12-V16 VanDerWaalsContact O-CG2 3.26Å; L12-V16 WeakPolarHBondContact O-CG2 3.41Å; L12-V16 PolarHBondContact O-N 3.25Å; F13-V16 PolarHBondContact O-N 3.17Å; V16-S18 VanDerWaalsContact C-N 3.34Å; V16-S18 PolarHBondContact O-N 2.89Å; V16-L19 CarbonylContact O-C 3.54Å; V16-L19 PolarHBondContact O-N 3.48Å; V16-T20 HydrophobicContact CG1-CG2 4.3Å; V16-T20 WeakPolarHBondContact O-CB 3.39Å; V16-T20 VanDerWaalsContact O-CG2 3.29Å; V16-T20 WeakPolarHBondContact O-CG2 3.21Å; V16-T20 PolarHBondContact O-N 3.06Å; V16-T20 PolarHBondContact O-OG1 2.74Å
17	V	53.2	Low	59.1	Low	73 Å²	73	89.2 Å²	89.2	44%	0.442	50%	0.497	S	S	.	.	H	α-helix	trans	-62.3	-41.4	176.1	171.8	0	0	0	0	110.5	F13 T20 S21	F13-V17 HydrophobicContact CD1-CG2 4.39Å; F13-V17 VanDerWaalsContact O-CB 3.23Å; F13-V17 WeakPolarHBondContact O-CB 3.42Å; F13-V17 WeakPolarHBondContact O-CG2 3.4Å; F13-V17 PolarHBondContact O-N 3.21Å; V17-T20 VanDerWaalsContact CA-OG1 3.31Å; V17-T20 WeakPolarHBondContact CA-OG1 3.23Å; V17-T20 CarbonylContact O-C 3.6Å; V17-T20 PolarHBondContact O-N 3.41Å; V17-T20 PolarHBondContact O-OG1 2.97Å; V17-T20 VanDerWaalsContact O-OG1 3.09Å; V17-S21 WeakPolarHBondContact O-CA 3.29Å; V17-S21 WeakPolarHBondContact O-CB 3.47Å; V17-S21 PolarHBondContact O-N 3.34Å; V17-S21 PolarHBondContact O-OG 3.46Å
18	S	49.1	Very low	59.3	Low	56 Å²	56	88.7 Å²	88.7	39%	0.392	49%	0.493	S	S	.	.	H	α-helix	trans	-70.6	-31.3	176	-171.2	0	0	0	0	112.8	N14 L15 V16 S21 N22	N14-S18 WeakPolarHBondContact O-CA 3.16Å; N14-S18 WeakPolarHBondContact O-CB 3.25Å; N14-S18 PolarHBondContact O-N 2.75Å; L15-S18 CarbonylContact O-C 3.58Å; L15-S18 PolarHBondContact O-N 3.07Å; V16-S18 VanDerWaalsContact C-N 3.34Å; V16-S18 PolarHBondContact O-N 2.89Å; S18-S21 WeakPolarHBondContact CA-OG 3.23Å; S18-N22 WeakPolarHBondContact O-CB 3.09Å; S18-N22 PolarHBondContact O-N 2.85Å; S18-N22 PolarHBondContact O-ND2 2.73Å
19	L	43	Very low	59.5	Low	127 Å²	127	88.4 Å²	88.4	67%	0.665	48%	0.48	S	S	*	.	H	α-helix	trans	-72.8	-33.6	171.8	-84.7	150.8	0	0	0	110.8	L15 V16 N22 V23	L15-L19 WeakPolarHBondContact O-CB 3.28Å; L15-L19 VanDerWaalsContact O-CD1 3.31Å; L15-L19 WeakPolarHBondContact O-CD1 3.47Å; L15-L19 WeakPolarHBondContact O-CG 3.4Å; L15-L19 PolarHBondContact O-N 3.48Å; V16-L19 CarbonylContact O-C 3.54Å; V16-L19 PolarHBondContact O-N 3.48Å; L19-N22 CarbonylContact O-C 3.53Å; L19-V23 PolarHBondContact O-N 3.31Å
20	T	44.7	Very low	60	Low	80 Å²	80	83.4 Å²	83.4	49%	0.491	46%	0.457	S	S	.	.	H	α-helix	trans	-87.9	-21.1	176.9	60.2	0	0	0	0	114	V16 V17 V23	V16-T20 HydrophobicContact CG1-CG2 4.3Å; V16-T20 WeakPolarHBondContact O-CB 3.39Å; V16-T20 VanDerWaalsContact O-CG2 3.29Å; V16-T20 WeakPolarHBondContact O-CG2 3.21Å; V16-T20 PolarHBondContact O-N 3.06Å; V16-T20 PolarHBondContact O-OG1 2.74Å; V17-T20 VanDerWaalsContact CA-OG1 3.31Å; V17-T20 WeakPolarHBondContact CA-OG1 3.23Å; V17-T20 CarbonylContact O-C 3.6Å; V17-T20 PolarHBondContact O-N 3.41Å; V17-T20 PolarHBondContact O-OG1 2.97Å; V17-T20 VanDerWaalsContact O-OG1 3.09Å; T20-V23 WeakPolarHBondContact O-CB 3.32Å; T20-V23 WeakPolarHBondContact O-CG2 3.39Å; T20-V23 PolarHBondContact O-N 2.82Å
21	S	46.7	Very low	60.4	Low	79 Å²	79	83.8 Å²	83.8	55%	0.552	46%	0.46	S	S	*	.	H	α-helix	trans	-89.3	-23.5	172.4	64	0	0	0	0	111	V17 S18 V23	V17-S21 WeakPolarHBondContact O-CA 3.29Å; V17-S21 WeakPolarHBondContact O-CB 3.47Å; V17-S21 PolarHBondContact O-N 3.34Å; V17-S21 PolarHBondContact O-OG 3.46Å; S18-S21 WeakPolarHBondContact CA-OG 3.23Å; S21-V23 PolarHBondContact O-N 3.32Å
22	N	39.9	Very low	60.5	Low	108 Å²	108	81.9 Å²	81.9	58%	0.578	46%	0.455	S	S	*	.			trans	-76.9	10.4	155	-69.4	-28.1	0	0	0	112.6	S18 L19 F24	S18-N22 WeakPolarHBondContact O-CB 3.09Å; S18-N22 PolarHBondContact O-N 2.85Å; S18-N22 PolarHBondContact O-ND2 2.73Å; L19-N22 CarbonylContact O-C 3.53Å; N22-F24 WeakPolarHBondContact O-CD2 3.01Å; N22-F24 PolarHBondContact O-N 2.77Å
23	V	48.6	Very low	60.8	Low	107 Å²	107	77.7 Å²	77.7	65%	0.648	43%	0.433	S	S	*	.	S	Bend	trans	-66.3	82.8	151.5	176.8	0	0	0	0	104.9	L19 T20 S21 N25	L19-V23 PolarHBondContact O-N 3.31Å; T20-V23 WeakPolarHBondContact O-CB 3.32Å; T20-V23 WeakPolarHBondContact O-CG2 3.39Å; T20-V23 PolarHBondContact O-N 2.82Å; S21-V23 PolarHBondContact O-N 3.32Å; V23-N25 PolarHBondContact O-N 2.88Å
24	F	52.7	Low	61.7	Low	154 Å²	154	74.3 Å²	74.3	68%	0.675	42%	0.416	S	S	*	.			trans	-11.2	114.6	176.1	-74.9	-101.7	0	0	0	112.8	N22 P26	N22-F24 WeakPolarHBondContact O-CD2 3.01Å; N22-F24 PolarHBondContact O-N 2.77Å; F24-P26 WeakPolarHBondContact O-CD 3.44Å
25	N	62.6	Low	63	Low	54 Å²	54	76.3 Å²	76.3	29%	0.289	43%	0.427	S	S	.	.			trans	-53.7	107.2	150.6	178.9	-7.8	0	0	0	106.4	V23 C27 S28	V23-N25 PolarHBondContact O-N 2.88Å; N25-C27 PolarHBondContact O-N 3.04Å; N25-C27 WeakPolarHBondContact OD1-CB 3.43Å; N25-C27 PolarHBondContact OD1-N 3.19Å; N25-C27 VanDerWaalsContact OD1-N 3.17Å; N25-C27 PolarHBondContact OD1-SG 3.47Å; N25-S28 PolarHBondContact O-N 2.74Å; N25-S28 PolarHBondContact O-OG 3.48Å
26	P	68.3	Low	64.6	Low	43 Å²	43	72.8 Å²	72.8	28%	0.279	41%	0.413	S	S	.	.	H	α-helix	trans	-59.4	-22.6	-171.9	24.8	-33.6	0	0	0	110.9	F24 S28 K29 I30	F24-P26 WeakPolarHBondContact O-CD 3.44Å; P26-S28 VanDerWaalsContact C-N 3.33Å; P26-S28 PolarHBondContact O-N 2.89Å; P26-K29 PolarHBondContact O-N 3.16Å; P26-K29 VanDerWaalsContact O-N 3.15Å; P26-I30 HydrophobicContact CB-CD1 4.13Å; P26-I30 VanDerWaalsContact O-CG1 3.27Å; P26-I30 WeakPolarHBondContact O-CG1 2.98Å; P26-I30 PolarHBondContact O-N 3.43Å
27	C	80.5	Confident	66.3	Low	7 Å²	7	73.4 Å²	73.4	5%	0.047	41%	0.407	C	S	.	.	H	α-helix	trans	-61.9	-35	-176.9	-56.9	0	0	0	0	114.1	N25 K29 I30 D31 C184 I190	N25-C27 PolarHBondContact O-N 3.04Å; N25-C27 WeakPolarHBondContact OD1-CB 3.43Å; N25-C27 PolarHBondContact OD1-N 3.19Å; N25-C27 VanDerWaalsContact OD1-N 3.17Å; N25-C27 PolarHBondContact OD1-SG 3.47Å; C27-K29 VanDerWaalsContact C-N 3.35Å; C27-K29 PolarHBondContact O-N 3.42Å; C27-I30 PolarHBondContact O-N 3.34Å; C27-D31 VanDerWaalsContact O-CG 3.27Å; C27-D31 PolarHBondContact O-N 2.92Å; C27-C184 HydrophobicContact CB-CB 3.92Å; C27-C184 WeakPolarHBondContact CB-SG 3.47Å; C27-C184 WeakPolarHBondContact SG-CA 3.27Å; C27-C184 WeakPolarHBondContact SG-CB 3.08Å; C27-C184 CovalentContact SG-SG 2.01Å; C27-C184 PolarHBondContact SG-SG 2.99Å; C27-I190 HydrophobicContact CB-CD1 3.56Å; C27-I190 HydrophobicContact CB-CG1 4.49Å; C27-I190 WeakPolarHBondContact SG-CD1 3.33Å
28	S	77.6	Confident	68.3	Low	76 Å²	76	75 Å²	75	53%	0.531	41%	0.413	S	S	.	.	H	α-helix	trans	-63.1	-40.3	175.4	60.1	0	0	0	0	112.9	N25 P26	N25-S28 PolarHBondContact O-N 2.74Å; N25-S28 PolarHBondContact O-OG 3.48Å; P26-S28 VanDerWaalsContact C-N 3.33Å; P26-S28 PolarHBondContact O-N 2.89Å
29	K	73.6	Confident	70.5	Confident	57 Å²	57	72.7 Å²	72.7	25%	0.248	40%	0.396	C	S	.	.	H	α-helix	trans	-71.9	-43.7	176.1	-174.5	176.4	173.1	-174.6	0	110.5	P26 C27 D31 S32 E33 Y51	P26-K29 PolarHBondContact O-N 3.16Å; P26-K29 VanDerWaalsContact O-N 3.15Å; C27-K29 VanDerWaalsContact C-N 3.35Å; C27-K29 PolarHBondContact O-N 3.42Å; K29-D31 VanDerWaalsContact C-N 3.33Å; K29-D31 PolarHBondContact O-N 3.37Å; K29-S32 PolarHBondContact O-N 3.3Å; K29-S32 VanDerWaalsContact O-N 3.14Å; K29-S32 PolarHBondContact O-OG 3.29Å; K29-E33 PolarHBondContact O-N 2.75Å; K29-Y51 HydrophobicContact CB-CE2 4.07Å; K29-Y51 HydrophobicContact CD-CD2 4.46Å; K29-Y51 HydrophobicContact CD-CE2 3.89Å; K29-Y51 HydrophobicContact CG-CD2 4.09Å; K29-Y51 HydrophobicContact CG-CE2 3.81Å
30	I	80.2	Confident	73	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-55.3	-48	177.5	-70.1	164.6	0	0	0	110.8	P26 C27 S32 E33 R34 Y51 Y182 I190 V192	P26-I30 HydrophobicContact CB-CD1 4.13Å; P26-I30 VanDerWaalsContact O-CG1 3.27Å; P26-I30 WeakPolarHBondContact O-CG1 2.98Å; P26-I30 PolarHBondContact O-N 3.43Å; C27-I30 PolarHBondContact O-N 3.34Å; I30-S32 PolarHBondContact O-N 3.45Å; I30-S32 VanDerWaalsContact O-N 3.14Å; I30-E33 CarbonylContact O-C 3.55Å; I30-E33 PolarHBondContact O-N 2.83Å; I30-R34 WeakPolarHBondContact O-CA 3.44Å; I30-R34 WeakPolarHBondContact O-CB 3.19Å; I30-R34 PolarHBondContact O-N 2.97Å; I30-Y51 HydrophobicContact CB-CD2 4.31Å; I30-Y51 HydrophobicContact CB-CE2 4.46Å; I30-Y51 HydrophobicContact CB-CG 4.38Å; I30-Y51 HydrophobicContact CD1-CD1 4.21Å; I30-Y51 HydrophobicContact CD1-CE1 3.73Å; I30-Y51 HydrophobicContact CD1-CE2 4.41Å; I30-Y51 HydrophobicContact CG1-CD1 3.54Å; I30-Y51 HydrophobicContact CG1-CD2 3.61Å; I30-Y51 HydrophobicContact CG1-CE1 3.4Å; I30-Y51 HydrophobicContact CG1-CE2 3.45Å; I30-Y51 VanDerWaalsContact CG1-CE2 3.45Å; I30-Y51 HydrophobicContact CG1-CG 3.63Å; I30-Y182 HydrophobicContact CD1-CD1 3.72Å; I30-Y182 HydrophobicContact CD1-CD2 3.51Å; I30-Y182 HydrophobicContact CD1-CE1 4.01Å; I30-Y182 HydrophobicContact CD1-CE2 3.83Å; I30-Y182 HydrophobicContact CD1-CG 3.44Å; I30-Y182 VanDerWaalsContact CD1-CG 3.44Å; I30-I190 HydrophobicContact CB-CD1 3.6Å; I30-I190 HydrophobicContact CD1-CD1 3.66Å; I30-I190 HydrophobicContact CD1-CG1 4.32Å; I30-I190 HydrophobicContact CG1-CD1 4.19Å; I30-I190 HydrophobicContact CG2-CD1 3.41Å; I30-I190 VanDerWaalsContact CG2-CD1 3.41Å; I30-I190 HydrophobicContact CG2-CG1 4.35Å; I30-V192 HydrophobicContact CB-CG2 4.44Å; I30-V192 HydrophobicContact CG1-CG2 4.37Å; I30-V192 HydrophobicContact CG2-CG2 3.28Å
31	D	74.7	Confident	75.3	Confident	96 Å²	96	64.5 Å²	64.5	51%	0.513	36%	0.357	S	S	.	.	H	α-helix	trans	-58.3	-31.5	-178.6	-73.9	-19	0	0	0	113	C27 K29 R34	C27-D31 VanDerWaalsContact O-CG 3.27Å; C27-D31 PolarHBondContact O-N 2.92Å; K29-D31 VanDerWaalsContact C-N 3.33Å; K29-D31 PolarHBondContact O-N 3.37Å; D31-R34 IonicContact OD1-CZ 3.46Å; D31-R34 IonicContact OD1-NE 3.27Å; D31-R34 IonicContact OD1-NH2 2.75Å; D31-R34 PolarHBondContact OD1-NH2 3.38Å
32	S	73.6	Confident	77.5	Confident	64 Å²	64	62.7 Å²	62.7	45%	0.448	35%	0.35	S	S	.	.	H	α-helix	trans	-81.7	-17.1	179.6	76.1	0	0	0	0	115.1	K29 I30 R37	K29-S32 PolarHBondContact O-N 3.3Å; K29-S32 VanDerWaalsContact O-N 3.14Å; K29-S32 PolarHBondContact O-OG 3.29Å; I30-S32 PolarHBondContact O-N 3.45Å; I30-S32 VanDerWaalsContact O-N 3.14Å; S32-R37 PolarHBondContact O-NH2 3.23Å
33	E	77	Confident	80.1	Confident	28 Å²	28	65.9 Å²	65.9	13%	0.131	36%	0.362	C	S	.	.	H	α-helix	trans	-127	2.7	-171.1	-69.4	-179	174.4	0	0	113.7	K29 I30 D35 G36 Y51	K29-E33 PolarHBondContact O-N 2.75Å; I30-E33 CarbonylContact O-C 3.55Å; I30-E33 PolarHBondContact O-N 2.83Å; E33-D35 PolarHBondContact O-N 2.04Å; E33-G36 PolarHBondContact O-N 3.42Å; E33-Y51 PolarHBondContact O-N 3.15Å
34	R	79.7	Confident	82.4	Confident	76 Å²	76	63.6 Å²	63.6	29%	0.287	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-50	-175	-170.5	-173.6	-62.1	-158	2.6	113.2	I30 D31 G36	I30-R34 WeakPolarHBondContact O-CA 3.44Å; I30-R34 WeakPolarHBondContact O-CB 3.19Å; I30-R34 PolarHBondContact O-N 2.97Å; D31-R34 IonicContact OD1-CZ 3.46Å; D31-R34 IonicContact OD1-NE 3.27Å; D31-R34 IonicContact OD1-NH2 2.75Å; D31-R34 PolarHBondContact OD1-NH2 3.38Å; R34-G36 PolarHBondContact O-N 3.05Å
35	D	84.4	Confident	84.5	Confident	147 Å²	147	58.1 Å²	58.1	79%	0.786	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-5.6	-173.7	-62.7	-24.8	0	0	0	113.5	E33	E33-D35 PolarHBondContact O-N 2.04Å
36	G	90.6	Very high	86.1	Confident	20 Å²	20	56.6 Å²	56.6	21%	0.206	32%	0.318	C	S	.	.			trans	72.9	157.6	-174.2	0	0	0	0	0	113.3	E33 R34 Q49	E33-G36 PolarHBondContact O-N 3.42Å; R34-G36 PolarHBondContact O-N 3.05Å; G36-Q49 CarbonylContact C-O 3.54Å; G36-Q49 VanDerWaalsContact CA-O 3.25Å; G36-Q49 WeakPolarHBondContact CA-O 3.45Å
37	R	92.1	Very high	87.4	Confident	90 Å²	90	54.6 Å²	54.6	34%	0.34	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	119.6	178.8	-62.8	-176.5	177.9	168.2	-4.4	109.4	S32 V39 I48 Q49 R242	S32-R37 PolarHBondContact O-NH2 3.23Å; R37-V39 PolarHBondContact O-N 3.4Å; R37-I48 WeakPolarHBondContact O-CA 3.06Å; R37-Q49 PolarHBondContact N-O 2.78Å; R37-Q49 PolarHBondContact O-N 3.42Å; R37-R242 VanDerWaalsContact CD-NH1 3.34Å; R37-R242 VanDerWaalsContact CD-NH2 3.3Å
38	L	94.3	Very high	88.1	Confident	107 Å²	107	55.2 Å²	55.2	56%	0.56	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.5	123.8	174.5	-178.7	68.4	0	0	0	109.2	F40 E46 I48	L38-F40 WeakPolarHBondContact CD1-O 3.18Å; L38-E46 HydrophobicContact CD1-CG 3.58Å; L38-I48 HydrophobicContact CD1-CG1 4.06Å
39	V	94.8	Very high	88.8	Confident	7 Å²	7	52 Å²	52	4%	0.042	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-51.1	177.4	-176.3	0	0	0	0	109.2	R37 Y47 Q49 C237 A240 I244	R37-V39 PolarHBondContact O-N 3.4Å; V39-Y47 HydrophobicContact CB-CD1 3.65Å; V39-Y47 HydrophobicContact CB-CE1 4.27Å; V39-Y47 HydrophobicContact CG1-CD1 4.27Å; V39-Y47 HydrophobicContact CG2-CD1 3.57Å; V39-Y47 HydrophobicContact CG2-CE1 3.83Å; V39-Y47 PolarHBondContact N-O 3.18Å; V39-Q49 HydrophobicContact CG2-CB 4.01Å; V39-C237 HydrophobicContact CG1-CB 4.08Å; V39-C237 WeakPolarHBondContact CG1-SG 3.27Å; V39-A240 HydrophobicContact CB-CB 4.18Å; V39-A240 HydrophobicContact CG1-CB 3.44Å; V39-A240 VanDerWaalsContact CG1-CB 3.44Å; V39-I244 HydrophobicContact CG1-CG2 4Å; V39-I244 HydrophobicContact CG2-CG2 4.17Å
40	F	95.3	Very high	89.7	Confident	5 Å²	5	49.9 Å²	49.9	2%	0.022	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	161.6	173.3	60.7	-96.2	0	0	0	110	L38 Y47 M56 I244 F254 K255 G258	L38-F40 WeakPolarHBondContact CD1-O 3.18Å; F40-Y47 HydrophobicContact CD1-CG 4.45Å; F40-Y47 HydrophobicContact CE1-CD1 4.13Å; F40-Y47 HydrophobicContact CE1-CD2 4.35Å; F40-Y47 AromaticContact CE1-CG 3.78Å; F40-Y47 HydrophobicContact CE1-CG 3.78Å; F40-Y47 HydrophobicContact CE2-CG 4.46Å; F40-Y47 VanDerWaalsContact CZ-CB 3.43Å; F40-Y47 HydrophobicContact CZ-CD2 4.07Å; F40-Y47 AromaticContact CZ-CG 3.79Å; F40-Y47 HydrophobicContact CZ-CG 3.79Å; F40-Y47 PolarHBondContact O-N 3.02Å; F40-M56 HydrophobicContact CZ-CE 4.36Å; F40-I244 HydrophobicContact CE1-CD1 4.43Å; F40-F254 HydrophobicContact CE2-CD1 4.31Å; F40-F254 AromaticContact CE2-CE1 3.79Å; F40-F254 HydrophobicContact CE2-CE1 3.79Å; F40-F254 HydrophobicContact CZ-CD1 4.45Å; F40-F254 HydrophobicContact CZ-CE1 4.3Å; F40-K255 HydrophobicContact CZ-CB 4.5Å; F40-K255 HydrophobicContact CZ-CG 4.27Å; F40-G258 VanDerWaalsContact CB-O 3.25Å; F40-G258 WeakPolarHBondContact CB-O 3.31Å
41	G	94.5	Very high	90.1	Very high	30 Å²	30	51.3 Å²	51.3	31%	0.309	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.4	173.5	-178	0	0	0	0	0	111.8	H45	G41-H45 CarbonylContact C-O 3.56Å; G41-H45 WeakPolarHBondContact CA-O 3.46Å
42	G	93.3	Very high	90.8	Very high	40 Å²	40	48.5 Å²	48.5	41%	0.412	26%	0.263	S	S	.	.			trans	-169.3	-163.2	-178.7	0	0	0	0	0	110.1	S44 H45	G42-S44 VanDerWaalsContact C-N 3.33Å; G42-S44 PolarHBondContact O-N 3.29Å; G42-H45 PolarHBondContact N-CE1 3.09Å; G42-H45 PolarHBondContact N-ND1 2.98Å; G42-H45 PolarHBondContact N-O 2.64Å; G42-H45 VanDerWaalsContact O-O 3.13Å
43	E	94.4	Very high	91.8	Very high	176 Å²	176	45.4 Å²	45.4	82%	0.822	24%	0.241	S	C	*	.	S	Bend	trans	-69.6	-29.8	-177.7	-60.5	-166.1	146.9	0	0	113.8
44	S	95.8	Very high	92.7	Very high	59 Å²	59	44.1 Å²	44.1	41%	0.413	24%	0.235	S	C	.	.	S	Bend	trans	-110.5	-2.5	-173.8	62.3	0	0	0	0	114.6	G42 R58 L59	G42-S44 VanDerWaalsContact C-N 3.33Å; G42-S44 PolarHBondContact O-N 3.29Å; S44-R58 WeakPolarHBondContact O-CA 3.03Å; S44-L59 WeakPolarHBondContact O-CG 3.45Å; S44-L59 PolarHBondContact O-N 3.21Å
45	H	96.4	Very high	93.4	Very high	39 Å²	39	40.7 Å²	40.7	18%	0.181	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	160	-177.6	61	37.3	0	0	0	113.9	G41 G42 I57 R58 F254	G41-H45 CarbonylContact C-O 3.56Å; G41-H45 WeakPolarHBondContact CA-O 3.46Å; G42-H45 PolarHBondContact N-CE1 3.09Å; G42-H45 PolarHBondContact N-ND1 2.98Å; G42-H45 PolarHBondContact N-O 2.64Å; G42-H45 VanDerWaalsContact O-O 3.13Å; H45-I57 CarbonylContact C-O 3.54Å; H45-I57 WeakPolarHBondContact CA-O 3.29Å; H45-I57 WeakPolarHBondContact CB-O 3.22Å; H45-R58 HydrophobicContact CB-CG 4.17Å; H45-F254 HydrophobicContact CB-CE2 4.5Å; H45-F254 HydrophobicContact CB-CZ 3.65Å; H45-F254 AromaticContact CD2-CE2 3.57Å; H45-F254 AromaticContact CD2-CZ 3.29Å; H45-F254 WeakPolarHBondContact CD2-CZ 3.36Å; H45-F254 AromaticContact CG-CZ 3.6Å
46	E	96.4	Very high	94	Very high	22 Å²	22	34 Å²	34	10%	0.103	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	138.1	175.7	-164.8	178.2	76.7	0	0	110.1	L38 I48 R55 M56 I57 K199 W200	L38-E46 HydrophobicContact CD1-CG 3.58Å; E46-I48 HydrophobicContact CG-CD1 4.26Å; E46-I48 HydrophobicContact CG-CG1 3.97Å; E46-I48 WeakPolarHBondContact OE1-CD1 3.4Å; E46-R55 IonicContact OE1-CZ 2.71Å; E46-R55 IonicContact OE1-NH2 2.82Å; E46-R55 PolarHBondContact OE1-NH2 3.09Å; E46-M56 CarbonylContact O-C 3.56Å; E46-M56 WeakPolarHBondContact O-CA 3.42Å; E46-I57 HydrophobicContact CB-CB 4.46Å; E46-I57 PolarHBondContact N-O 3.22Å; E46-I57 PolarHBondContact O-N 2.86Å; E46-K199 IonicContact OE2-NZ 2.9Å; E46-K199 PolarHBondContact OE2-NZ 2.01Å; E46-W200 HydrophobicContact CB-CH2 4.23Å; E46-W200 HydrophobicContact CB-CZ2 3.57Å; E46-W200 HydrophobicContact CG-CZ2 4.29Å; E46-W200 PolarHBondContact OE1-NE1 2.75Å; E46-W200 PolarHBondContact OE2-NE1 2.89Å
47	Y	96.5	Very high	94.3	Very high	1 Å²	1	33 Å²	33	0%	0.004	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	117.8	171.3	-171.4	-81.3	0	0	0	110.3	V39 F40 S54 R55 M56 I244 K255	V39-Y47 HydrophobicContact CB-CD1 3.65Å; V39-Y47 HydrophobicContact CB-CE1 4.27Å; V39-Y47 HydrophobicContact CG1-CD1 4.27Å; V39-Y47 HydrophobicContact CG2-CD1 3.57Å; V39-Y47 HydrophobicContact CG2-CE1 3.83Å; V39-Y47 PolarHBondContact N-O 3.18Å; F40-Y47 HydrophobicContact CD1-CG 4.45Å; F40-Y47 HydrophobicContact CE1-CD1 4.13Å; F40-Y47 HydrophobicContact CE1-CD2 4.35Å; F40-Y47 AromaticContact CE1-CG 3.78Å; F40-Y47 HydrophobicContact CE1-CG 3.78Å; F40-Y47 HydrophobicContact CE2-CG 4.46Å; F40-Y47 VanDerWaalsContact CZ-CB 3.43Å; F40-Y47 HydrophobicContact CZ-CD2 4.07Å; F40-Y47 AromaticContact CZ-CG 3.79Å; F40-Y47 HydrophobicContact CZ-CG 3.79Å; F40-Y47 PolarHBondContact O-N 3.02Å; Y47-S54 VanDerWaalsContact OH-CB 3.26Å; Y47-S54 WeakPolarHBondContact OH-CB 3.14Å; Y47-S54 PolarHBondContact OH-OG 2.85Å; Y47-R55 CarbonylContact C-O 3.56Å; Y47-R55 VanDerWaalsContact CA-O 3.27Å; Y47-R55 WeakPolarHBondContact CA-O 3.31Å; Y47-M56 HydrophobicContact CD2-CB 3.99Å; Y47-M56 HydrophobicContact CD2-CE 3.55Å; Y47-M56 HydrophobicContact CD2-CG 4.36Å; Y47-M56 HydrophobicContact CE2-CE 3.98Å; Y47-I244 HydrophobicContact CE1-CB 4.27Å; Y47-I244 HydrophobicContact CE1-CD1 4.26Å; Y47-I244 HydrophobicContact CE1-CG2 4.09Å; Y47-K255 HydrophobicContact CE2-CD 4.46Å
48	I	95	Very high	94.5	Very high	19 Å²	19	30.1 Å²	30.1	10%	0.097	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	134.8	179.1	-56.3	-165.9	0	0	0	109.2	R37 L38 E46 Y50 S54 R55	R37-I48 WeakPolarHBondContact O-CA 3.06Å; L38-I48 HydrophobicContact CD1-CG1 4.06Å; E46-I48 HydrophobicContact CG-CD1 4.26Å; E46-I48 HydrophobicContact CG-CG1 3.97Å; E46-I48 WeakPolarHBondContact OE1-CD1 3.4Å; I48-Y50 HydrophobicContact CB-CD2 4.34Å; I48-Y50 HydrophobicContact CB-CE2 3.71Å; I48-Y50 HydrophobicContact CG2-CD2 3.88Å; I48-Y50 HydrophobicContact CG2-CE1 4.11Å; I48-Y50 HydrophobicContact CG2-CE2 3.42Å; I48-Y50 VanDerWaalsContact CG2-CE2 3.42Å; I48-Y50 HydrophobicContact CG2-CG 4.4Å; I48-S54 CarbonylContact O-C 3.6Å; I48-S54 WeakPolarHBondContact O-CA 3.28Å; I48-R55 PolarHBondContact N-O 3.15Å; I48-R55 PolarHBondContact O-N 3.31Å
49	Q	93.1	Very high	94.6	Very high	8 Å²	8	25.7 Å²	25.7	4%	0.037	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	115.8	171.6	-175.7	174.1	50.2	0	0	109.3	G36 R37 V39 C243	G36-Q49 CarbonylContact C-O 3.54Å; G36-Q49 VanDerWaalsContact CA-O 3.25Å; G36-Q49 WeakPolarHBondContact CA-O 3.45Å; R37-Q49 PolarHBondContact N-O 2.78Å; R37-Q49 PolarHBondContact O-N 3.42Å; V39-Q49 HydrophobicContact CG2-CB 4.01Å; Q49-C243 PolarHBondContact NE2-O 3.26Å; Q49-C243 VanDerWaalsContact NE2-O 3.15Å
50	Y	91.4	Very high	94.7	Very high	14 Å²	14	32 Å²	32	6%	0.055	18%	0.176	C	C	.	.			trans	-100.8	175.4	172.9	-64.3	-88.4	0	0	0	110.4	I48 Y52 Y53 R55 T194	I48-Y50 HydrophobicContact CB-CD2 4.34Å; I48-Y50 HydrophobicContact CB-CE2 3.71Å; I48-Y50 HydrophobicContact CG2-CD2 3.88Å; I48-Y50 HydrophobicContact CG2-CE1 4.11Å; I48-Y50 HydrophobicContact CG2-CE2 3.42Å; I48-Y50 VanDerWaalsContact CG2-CE2 3.42Å; I48-Y50 HydrophobicContact CG2-CG 4.4Å; Y50-Y52 PolarHBondContact O-N 2.64Å; Y50-Y53 CarbonylContact C-O 3.58Å; Y50-Y53 VanDerWaalsContact CA-O 3.31Å; Y50-Y53 WeakPolarHBondContact CA-O 3.44Å; Y50-Y53 WeakPolarHBondContact CB-O 2.97Å; Y50-Y53 PolarHBondContact N-O 3.23Å; Y50-R55 HydrophobicContact CD2-CB 4.29Å; Y50-R55 HydrophobicContact CE2-CB 3.94Å; Y50-R55 PolarHBondContact OH-NH1 3.03Å; Y50-R55 VanDerWaalsContact OH-NH1 3.15Å; Y50-T194 HydrophobicContact CD1-CG2 4Å; Y50-T194 HydrophobicContact CD2-CG2 3.99Å; Y50-T194 HydrophobicContact CE1-CG2 4.15Å; Y50-T194 HydrophobicContact CE2-CG2 4.12Å; Y50-T194 HydrophobicContact CG-CG2 3.93Å
51	Y	87.9	Confident	94.8	Very high	30 Å²	30	34.3 Å²	34.3	12%	0.118	19%	0.187	C	C	.	.	S	Bend	trans	-59.4	131	161.9	-175.9	-93.1	0	0	0	110.3	K29 I30 E33 Y53 Y182 V192	K29-Y51 HydrophobicContact CB-CE2 4.07Å; K29-Y51 HydrophobicContact CD-CD2 4.46Å; K29-Y51 HydrophobicContact CD-CE2 3.89Å; K29-Y51 HydrophobicContact CG-CD2 4.09Å; K29-Y51 HydrophobicContact CG-CE2 3.81Å; I30-Y51 HydrophobicContact CB-CD2 4.31Å; I30-Y51 HydrophobicContact CB-CE2 4.46Å; I30-Y51 HydrophobicContact CB-CG 4.38Å; I30-Y51 HydrophobicContact CD1-CD1 4.21Å; I30-Y51 HydrophobicContact CD1-CE1 3.73Å; I30-Y51 HydrophobicContact CD1-CE2 4.41Å; I30-Y51 HydrophobicContact CG1-CD1 3.54Å; I30-Y51 HydrophobicContact CG1-CD2 3.61Å; I30-Y51 HydrophobicContact CG1-CE1 3.4Å; I30-Y51 HydrophobicContact CG1-CE2 3.45Å; I30-Y51 VanDerWaalsContact CG1-CE2 3.45Å; I30-Y51 HydrophobicContact CG1-CG 3.63Å; E33-Y51 PolarHBondContact O-N 3.15Å; Y51-Y53 PolarHBondContact O-N 2.81Å; Y51-Y182 HydrophobicContact CD1-CE2 4.41Å; Y51-Y182 AromaticContact CD1-CZ 3.96Å; Y51-Y182 WeakPolarHBondContact CD1-OH 3.35Å; Y51-Y182 AromaticContact CE1-CE1 3.81Å; Y51-Y182 HydrophobicContact CE1-CE1 3.81Å; Y51-Y182 HydrophobicContact CE1-CE2 4.29Å; Y51-Y182 AromaticContact CE1-CZ 3.54Å; Y51-Y182 WeakPolarHBondContact CE1-OH 3.42Å; Y51-V192 HydrophobicContact CD1-CG2 4.38Å
52	Y	91.1	Very high	94.8	Very high	36 Å²	36	37.9 Å²	37.9	14%	0.141	20%	0.204	C	C	.	.	S	Bend	trans	63.8	-40.1	-178.5	-167.7	-93.8	0	0	0	116.9	Y50 Q86 Y88 G89 V211 S212	Y50-Y52 PolarHBondContact O-N 2.64Å; Y52-Q86 VanDerWaalsContact OH-CB 3.29Å; Y52-Q86 WeakPolarHBondContact OH-CB 3.35Å; Y52-Q86 PolarHBondContact OH-OE1 3.32Å; Y52-Y88 VanDerWaalsContact CD1-CA 3.42Å; Y52-Y88 HydrophobicContact CD1-CD1 4.21Å; Y52-Y88 VanDerWaalsContact CE1-N 3.34Å; Y52-Y88 HydrophobicContact CG-CD1 4.42Å; Y52-G89 PolarHBondContact OH-N 3.39Å; Y52-V211 HydrophobicContact CE1-CG1 4.03Å; Y52-V211 HydrophobicContact CE1-CG2 4.01Å; Y52-V211 HydrophobicContact CE2-CG1 4.16Å; Y52-S212 WeakPolarHBondContact O-CB 3.36Å; Y52-S212 PolarHBondContact O-N 2.88Å; Y52-S212 PolarHBondContact O-OG 3.18Å
53	Y	94.3	Very high	94.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	151.4	177.6	-72.4	-70.8	0	0	0	112.7	Y50 Y51 Y88 F178 E210 V211 S212	Y50-Y53 CarbonylContact C-O 3.58Å; Y50-Y53 VanDerWaalsContact CA-O 3.31Å; Y50-Y53 WeakPolarHBondContact CA-O 3.44Å; Y50-Y53 WeakPolarHBondContact CB-O 2.97Å; Y50-Y53 PolarHBondContact N-O 3.23Å; Y51-Y53 PolarHBondContact O-N 2.81Å; Y53-Y88 AromaticContact CD2-CD1 3.84Å; Y53-Y88 HydrophobicContact CD2-CD1 3.84Å; Y53-Y88 HydrophobicContact CD2-CD2 4.49Å; Y53-Y88 AromaticContact CD2-CE1 3.56Å; Y53-Y88 HydrophobicContact CD2-CE1 3.56Å; Y53-Y88 HydrophobicContact CD2-CE2 4.24Å; Y53-Y88 HydrophobicContact CD2-CG 4.35Å; Y53-Y88 AromaticContact CD2-CZ 3.79Å; Y53-Y88 AromaticContact CE2-CD1 3.82Å; Y53-Y88 HydrophobicContact CE2-CD1 3.82Å; Y53-Y88 AromaticContact CE2-CD2 3.88Å; Y53-Y88 HydrophobicContact CE2-CD2 3.88Å; Y53-Y88 AromaticContact CE2-CE1 3.91Å; Y53-Y88 HydrophobicContact CE2-CE1 3.91Å; Y53-Y88 AromaticContact CE2-CE2 3.94Å; Y53-Y88 HydrophobicContact CE2-CE2 3.94Å; Y53-Y88 AromaticContact CE2-CG 3.86Å; Y53-Y88 HydrophobicContact CE2-CG 3.86Å; Y53-Y88 AromaticContact CE2-CZ 3.98Å; Y53-F178 HydrophobicContact CD2-CE1 4.1Å; Y53-F178 AromaticContact CD2-CZ 3.74Å; Y53-F178 HydrophobicContact CD2-CZ 3.74Å; Y53-F178 HydrophobicContact CE2-CE1 4.21Å; Y53-F178 HydrophobicContact CE2-CE2 4.16Å; Y53-F178 AromaticContact CE2-CZ 3.41Å; Y53-F178 HydrophobicContact CE2-CZ 3.41Å; Y53-F178 VanDerWaalsContact CE2-CZ 3.41Å; Y53-F178 HydrophobicContact CG-CE1 4.49Å; Y53-F178 HydrophobicContact CG-CZ 4.43Å; Y53-F178 AromaticContact CZ-CZ 3.85Å; Y53-E210 CarbonylContact C-O 3.46Å; Y53-E210 WeakPolarHBondContact CA-O 3.27Å; Y53-V211 HydrophobicContact CD1-CG2 4.4Å; Y53-V211 HydrophobicContact CE1-CG2 3.86Å; Y53-S212 PolarHBondContact O-OG 2.84Å
54	S	94.5	Very high	94.7	Very high	1 Å²	1	32 Å²	32	1%	0.007	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	143.3	159.2	63.2	0	0	0	0	108.4	Y47 I48 Y209 E210 S212 V245	Y47-S54 VanDerWaalsContact OH-CB 3.26Å; Y47-S54 WeakPolarHBondContact OH-CB 3.14Å; Y47-S54 PolarHBondContact OH-OG 2.85Å; I48-S54 CarbonylContact O-C 3.6Å; I48-S54 WeakPolarHBondContact O-CA 3.28Å; S54-Y209 CarbonylContact O-C 3.58Å; S54-Y209 VanDerWaalsContact O-CA 3.26Å; S54-Y209 WeakPolarHBondContact O-CA 3.33Å; S54-E210 PolarHBondContact N-O 3.48Å; S54-E210 PolarHBondContact O-N 3.45Å; S54-E210 PolarHBondContact OG-O 2.03Å; S54-S212 PolarHBondContact N-OG 3.07Å; S54-S212 VanDerWaalsContact N-OG 3.11Å; S54-V245 WeakPolarHBondContact OG-CG1 3.46Å
55	R	95.8	Very high	94.1	Very high	4 Å²	4	37 Å²	37	2%	0.015	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	128.7	-178.2	-173.9	-174.8	72.8	-166.5	5.5	110.3	E46 Y47 I48 Y50 I57 V195 V207 E208 Y209	E46-R55 IonicContact OE1-CZ 2.71Å; E46-R55 IonicContact OE1-NH2 2.82Å; E46-R55 PolarHBondContact OE1-NH2 3.09Å; Y47-R55 CarbonylContact C-O 3.56Å; Y47-R55 VanDerWaalsContact CA-O 3.27Å; Y47-R55 WeakPolarHBondContact CA-O 3.31Å; I48-R55 PolarHBondContact N-O 3.15Å; I48-R55 PolarHBondContact O-N 3.31Å; Y50-R55 HydrophobicContact CD2-CB 4.29Å; Y50-R55 HydrophobicContact CE2-CB 3.94Å; Y50-R55 PolarHBondContact OH-NH1 3.03Å; Y50-R55 VanDerWaalsContact OH-NH1 3.15Å; R55-I57 HydrophobicContact CG-CG1 4.04Å; R55-V195 PolarHBondContact NH1-O 3.11Å; R55-V207 HydrophobicContact CG-CG1 3.88Å; R55-E208 CarbonylContact C-O 3.55Å; R55-E208 VanDerWaalsContact CA-O 3.27Å; R55-E208 WeakPolarHBondContact CA-O 3.43Å; R55-Y209 HydrophobicContact CB-CD1 3.78Å; R55-Y209 HydrophobicContact CB-CE1 3.59Å; R55-Y209 WeakPolarHBondContact CD-OH 3.48Å; R55-Y209 HydrophobicContact CG-CD1 3.99Å; R55-Y209 HydrophobicContact CG-CE1 3.57Å; R55-Y209 HydrophobicContact CG-CE2 4.17Å; R55-Y209 HydrophobicContact CG-CG 4.45Å
56	M	96.3	Very high	93.5	Very high	5 Å²	5	36.1 Å²	36.1	3%	0.025	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	122.9	166.1	-172.2	173.5	-72.9	0	0	109.6	F40 E46 Y47 R58 V207 E208 N251 F254 K255	F40-M56 HydrophobicContact CZ-CE 4.36Å; E46-M56 CarbonylContact O-C 3.56Å; E46-M56 WeakPolarHBondContact O-CA 3.42Å; Y47-M56 HydrophobicContact CD2-CB 3.99Å; Y47-M56 HydrophobicContact CD2-CE 3.55Å; Y47-M56 HydrophobicContact CD2-CG 4.36Å; Y47-M56 HydrophobicContact CE2-CE 3.98Å; M56-R58 HydrophobicContact CG-CG 4.12Å; M56-R58 HydrophobicContact SD-CG 4.41Å; M56-V207 CarbonylContact O-C 3.57Å; M56-V207 WeakPolarHBondContact O-CA 3.11Å; M56-E208 PolarHBondContact N-O 3.37Å; M56-E208 PolarHBondContact O-N 3.02Å; M56-N251 HydrophobicContact CE-CB 4.24Å; M56-N251 HydrophobicContact SD-CB 4.25Å; M56-F254 HydrophobicContact CE-CD1 3.55Å; M56-F254 HydrophobicContact CE-CE1 3.79Å; M56-F254 HydrophobicContact CG-CE1 4.28Å; M56-F254 HydrophobicContact SD-CD1 3.68Å; M56-F254 HydrophobicContact SD-CE1 3.68Å; M56-K255 HydrophobicContact CE-CD 4.25Å; M56-K255 HydrophobicContact CE-CG 3.59Å
57	I	97.1	Very high	92.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	134.5	170.5	-57.4	-171.4	0	0	0	108.3	H45 E46 R55 V196 W200 T205 L206 V207	H45-I57 CarbonylContact C-O 3.54Å; H45-I57 WeakPolarHBondContact CA-O 3.29Å; H45-I57 WeakPolarHBondContact CB-O 3.22Å; E46-I57 HydrophobicContact CB-CB 4.46Å; E46-I57 PolarHBondContact N-O 3.22Å; E46-I57 PolarHBondContact O-N 2.86Å; R55-I57 HydrophobicContact CG-CG1 4.04Å; I57-V196 HydrophobicContact CD1-CG1 4.04Å; I57-V196 HydrophobicContact CD1-CG2 4.38Å; I57-W200 HydrophobicContact CB-CD2 4.41Å; I57-W200 HydrophobicContact CD1-CB 4.31Å; I57-W200 HydrophobicContact CD1-CG 3.94Å; I57-W200 HydrophobicContact CG2-CB 4.02Å; I57-W200 HydrophobicContact CG2-CD2 3.67Å; I57-W200 HydrophobicContact CG2-CE3 3.68Å; I57-W200 HydrophobicContact CG2-CG 3.82Å; I57-W200 HydrophobicContact CG2-CZ3 4.45Å; I57-T205 HydrophobicContact CG2-CG2 3.58Å; I57-L206 WeakPolarHBondContact CA-O 3.44Å; I57-V207 HydrophobicContact CD1-CG1 4.33Å; I57-V207 HydrophobicContact CD1-CG2 4.09Å; I57-V207 HydrophobicContact CG1-CB 4.32Å; I57-V207 HydrophobicContact CG1-CG1 3.98Å; I57-V207 HydrophobicContact CG1-CG2 3.97Å; I57-V207 HydrophobicContact CG2-CG2 4.25Å
58	R	97.1	Very high	92	Very high	30 Å²	30	42.1 Å²	42.1	11%	0.113	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	137	175.5	-66	177.6	-69.6	-177.1	-3.5	110.7	S44 H45 M56 Q61 T205 L206 E208 N251 F254	S44-R58 WeakPolarHBondContact O-CA 3.03Å; H45-R58 HydrophobicContact CB-CG 4.17Å; M56-R58 HydrophobicContact CG-CG 4.12Å; M56-R58 HydrophobicContact SD-CG 4.41Å; R58-Q61 HydrophobicContact CB-CG 3.63Å; R58-T205 WeakPolarHBondContact O-CA 3.41Å; R58-L206 PolarHBondContact N-O 2.94Å; R58-L206 PolarHBondContact O-N 2.76Å; R58-E208 IonicContact CZ-OE2 3.7Å; R58-E208 IonicContact NH2-OE2 2.8Å; R58-E208 PolarHBondContact NH2-OE2 3.19Å; R58-N251 VanDerWaalsContact CZ-OD1 3.24Å; R58-N251 PolarHBondContact NH1-OD1 3.18Å; R58-N251 PolarHBondContact NH2-OD1 3.01Å; R58-F254 HydrophobicContact CG-CE1 4.43Å; R58-F254 HydrophobicContact CG-CZ 4.04Å
59	L	96.8	Very high	91.9	Very high	14 Å²	14	46.1 Å²	46.1	7%	0.073	25%	0.254	C	S	.	.	S	Bend	trans	-85.4	162.6	174.2	-58.8	-173.9	0	0	0	112.1	S44 Q61 W200 K202 T205	S44-L59 WeakPolarHBondContact O-CG 3.45Å; S44-L59 PolarHBondContact O-N 3.21Å; L59-Q61 PolarHBondContact O-N 3.04Å; L59-Q61 PolarHBondContact O-NE2 2.73Å; L59-W200 HydrophobicContact CD1-CZ3 4.18Å; L59-W200 HydrophobicContact CD2-CE3 3.71Å; L59-W200 HydrophobicContact CD2-CZ3 4.08Å; L59-W200 HydrophobicContact CG-CE3 4.06Å; L59-W200 HydrophobicContact CG-CZ3 3.9Å; L59-K202 HydrophobicContact CD1-CD 4.46Å; L59-K202 HydrophobicContact CD2-CD 4.2Å; L59-K202 HydrophobicContact CD2-CG 4.09Å; L59-T205 HydrophobicContact CD2-CG2 4.01Å; L59-T205 WeakPolarHBondContact CD2-OG1 3.14Å
60	N	96.3	Very high	92	Very high	138 Å²	138	48.2 Å²	48.2	74%	0.738	26%	0.263	S	S	*	.	S	Bend	trans	54.5	35.9	172	-52.1	-37.1	0	0	0	113.1	G204	N60-G204 PolarHBondContact N-O 3.47Å; N60-G204 VanDerWaalsContact N-O 3.07Å
61	Q	96.6	Very high	92.2	Very high	55 Å²	55	54.1 Å²	54.1	26%	0.257	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-86.5	148.2	176.9	-60.7	-54.4	-68.3	0	0	110	R58 L59 Y163 G204 L206	R58-Q61 HydrophobicContact CB-CG 3.63Å; L59-Q61 PolarHBondContact O-N 3.04Å; L59-Q61 PolarHBondContact O-NE2 2.73Å; Q61-Y163 PolarHBondContact O-OH 2.91Å; Q61-G204 PolarHBondContact N-O 2.87Å; Q61-L206 HydrophobicContact CB-CB 3.81Å; Q61-L206 HydrophobicContact CB-CD2 4.43Å; Q61-L206 HydrophobicContact CG-CB 3.81Å; Q61-L206 HydrophobicContact CG-CD2 4.47Å
62	P	95.5	Very high	92.6	Very high	104 Å²	104	58.7 Å²	58.7	68%	0.675	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-64	152.6	169.9	29.3	-34.6	0	0	0	110.4
63	S	93.3	Very high	92.9	Very high	62 Å²	62	57.4 Å²	57.4	43%	0.434	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-58.1	131.3	172	-178.5	0	0	0	0	109.6	F65 Y163	S63-F65 PolarHBondContact O-N 2.94Å; S63-Y163 PolarHBondContact N-OH 3.45Å
64	P	91.3	Very high	92.9	Very high	30 Å²	30	62.8 Å²	62.8	20%	0.195	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-63.2	125.8	178.4	27.2	-33.7	0	0	0	108.8	V66 L153 Y163	P64-V66 PolarHBondContact O-N 3.11Å; P64-L153 HydrophobicContact CB-CD1 3.64Å; P64-L153 HydrophobicContact CG-CD1 3.69Å; P64-Y163 HydrophobicContact CG-CG 4.16Å
65	F	83.9	Confident	92.9	Very high	165 Å²	165	64 Å²	64	72%	0.724	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-69.5	122.2	179.5	180	-105.2	0	0	0	110	S63 N67	S63-F65 PolarHBondContact O-N 2.94Å; F65-N67 HydrophobicContact CE1-CB 4.31Å; F65-N67 WeakPolarHBondContact CE1-OD1 3.49Å; F65-N67 WeakPolarHBondContact CZ-OD1 3.15Å
66	V	83.8	Confident	92.9	Very high	21 Å²	21	69.8 Å²	69.8	13%	0.127	38%	0.384	C	S	.	.			trans	-114	109.3	173.5	-175.9	0	0	0	0	107.6	P64 G68 F70 L134 A136 L153	P64-V66 PolarHBondContact O-N 3.11Å; V66-G68 PolarHBondContact O-N 3.37Å; V66-F70 HydrophobicContact CB-CE2 4.14Å; V66-F70 HydrophobicContact CB-CZ 3.99Å; V66-F70 HydrophobicContact CG1-CE2 3.94Å; V66-F70 HydrophobicContact CG1-CZ 3.7Å; V66-F70 HydrophobicContact CG2-CZ 4.45Å; V66-L134 HydrophobicContact CG1-CD2 4.01Å; V66-A136 HydrophobicContact CG1-CB 3.82Å; V66-A136 HydrophobicContact CG2-CB 4.3Å; V66-L153 HydrophobicContact CG2-CD1 4.33Å; V66-L153 HydrophobicContact CG2-CD2 3.54Å
67	N	80.3	Confident	92.9	Very high	113 Å²	113	73.3 Å²	73.3	60%	0.604	40%	0.4	S	S	*	.			trans	-64.3	131.3	164.2	-91.1	-27.9	0	0	0	108.2	F65	F65-N67 HydrophobicContact CE1-CB 4.31Å; F65-N67 WeakPolarHBondContact CE1-OD1 3.49Å; F65-N67 WeakPolarHBondContact CZ-OD1 3.15Å
68	G	81.8	Confident	92.9	Very high	36 Å²	36	75.7 Å²	75.7	37%	0.371	43%	0.425	S	S	.	.	S	Bend	trans	141.5	175.8	163.8	0	0	0	0	0	117.1	V66 E131	V66-G68 PolarHBondContact O-N 3.37Å; G68-E131 WeakPolarHBondContact CA-OE1 3.3Å; G68-E131 WeakPolarHBondContact CA-OE2 3.32Å
69	T	91.1	Very high	92.8	Very high	102 Å²	102	75.3 Å²	75.3	63%	0.626	42%	0.424	S	S	*	.			trans	-94.7	112.9	177	-53.2	0	0	0	0	109.8	E131	T69-E131 PolarHBondContact N-OE1 2.97Å
70	F	95.3	Very high	92.7	Very high	52 Å²	52	80.6 Å²	80.6	23%	0.228	45%	0.451	C	S	.	.			trans	-79	133.8	171.9	-76.6	-92.4	0	0	0	110.8	V66 H127 I128 A136 K138	V66-F70 HydrophobicContact CB-CE2 4.14Å; V66-F70 HydrophobicContact CB-CZ 3.99Å; V66-F70 HydrophobicContact CG1-CE2 3.94Å; V66-F70 HydrophobicContact CG1-CZ 3.7Å; V66-F70 HydrophobicContact CG2-CZ 4.45Å; F70-H127 HydrophobicContact CB-CB 4.18Å; F70-H127 HydrophobicContact CD1-CB 3.98Å; F70-I128 WeakPolarHBondContact CA-O 3.46Å; F70-A136 HydrophobicContact CE1-CB 3.96Å; F70-A136 HydrophobicContact CZ-CB 3.95Å; F70-K138 HydrophobicContact CD1-CD 4.16Å; F70-K138 HydrophobicContact CD1-CG 4.41Å; F70-K138 HydrophobicContact CE1-CD 3.74Å; F70-K138 HydrophobicContact CE1-CG 3.84Å; F70-K138 HydrophobicContact CZ-CD 3.99Å; F70-K138 VanDerWaalsContact CZ-CE 3.43Å; F70-K138 HydrophobicContact CZ-CG 4.41Å
71	Q	96	Very high	92.6	Very high	138 Å²	138	74.8 Å²	74.8	65%	0.645	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.1	147.5	171.4	-60.5	-178.3	30.4	0	0	109.6	L73 H127 I128	Q71-L73 PolarHBondContact O-N 3.03Å; Q71-H127 CarbonylContact O-C 3.55Å; Q71-H127 VanDerWaalsContact O-CA 3.25Å; Q71-H127 WeakPolarHBondContact O-CA 3.44Å; Q71-I128 PolarHBondContact N-O 3.32Å; Q71-I128 PolarHBondContact O-N 3.36Å
72	K	97.2	Very high	92.4	Very high	126 Å²	126	78.7 Å²	78.7	55%	0.548	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	127.7	174.2	-175.3	172.1	-179	168.8	0	109.4	V74 C126	K72-V74 HydrophobicContact CD-CG2 4.5Å; K72-V74 HydrophobicContact CG-CG2 4.25Å; K72-C126 WeakPolarHBondContact CA-O 3.3Å
73	L	96.2	Very high	92.1	Very high	10 Å²	10	74.9 Å²	74.9	5%	0.052	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	135.8	172.9	-173.7	152.9	0	0	0	108.5	Q71 G75 H77 M97 D99 C126 I128 L137	Q71-L73 PolarHBondContact O-N 3.03Å; L73-G75 WeakPolarHBondContact CD2-O 3.13Å; L73-H77 HydrophobicContact CD1-CB 3.67Å; L73-H77 HydrophobicContact CG-CB 4.18Å; L73-M97 HydrophobicContact CD1-CB 4.33Å; L73-D99 HydrophobicContact CD2-CB 3.75Å; L73-D99 VanDerWaalsContact CD2-N 3.28Å; L73-C126 HydrophobicContact CB-CB 4.25Å; L73-C126 HydrophobicContact CD2-CB 4.44Å; L73-C126 PolarHBondContact N-O 3.15Å; L73-I128 HydrophobicContact CB-CB 4.39Å; L73-I128 HydrophobicContact CB-CG2 4.06Å; L73-I128 HydrophobicContact CD1-CB 4Å; L73-I128 HydrophobicContact CD1-CD1 3.87Å; L73-I128 HydrophobicContact CD1-CG2 4.06Å; L73-L137 HydrophobicContact CD1-CD2 4.18Å
74	V	95.5	Very high	92	Very high	113 Å²	113	77.4 Å²	77.4	69%	0.685	43%	0.431	S	S	*	.			trans	-133.5	124.4	179.2	-179.7	0	0	0	0	108.1	K72 D99	K72-V74 HydrophobicContact CD-CG2 4.5Å; K72-V74 HydrophobicContact CG-CG2 4.25Å; V74-D99 WeakPolarHBondContact CA-OD2 3.29Å
75	G	95.1	Very high	92.1	Very high	27 Å²	27	76.2 Å²	76.2	28%	0.278	42%	0.423	S	S	.	.	S	Bend	trans	66.2	-141.5	-172.9	0	0	0	0	0	113	L73 D99	L73-G75 WeakPolarHBondContact CD2-O 3.13Å; G75-D99 PolarHBondContact N-OD1 3.01Å; G75-D99 PolarHBondContact N-OD2 3.44Å; G75-D99 PolarHBondContact O-N 3.13Å; G75-D99 VanDerWaalsContact O-N 3.15Å
76	D	95.5	Very high	92.6	Very high	125 Å²	125	72.2 Å²	72.2	67%	0.668	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.1	138.4	-175.8	-62.3	-15.1	0	0	0	111.9	M97 T98	D76-M97 CarbonylContact C-O 3.55Å; D76-M97 WeakPolarHBondContact CA-O 3Å; D76-T98 WeakPolarHBondContact OD1-CG2 3.4Å
77	H	96.3	Very high	93.2	Very high	78 Å²	78	71.3 Å²	71.3	36%	0.361	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	120.3	174.4	-171.8	67.6	0	0	0	111.1	L73 E96 M97	L73-H77 HydrophobicContact CD1-CB 3.67Å; L73-H77 HydrophobicContact CG-CB 4.18Å; H77-E96 WeakPolarHBondContact O-CA 3.32Å; H77-M97 HydrophobicContact CB-CE 4.49Å; H77-M97 PolarHBondContact N-O 3.3Å; H77-M97 WeakPolarHBondContact O-CE 2.91Å; H77-M97 PolarHBondContact O-N 3.4Å
78	G	96	Very high	93.8	Very high	51 Å²	51	66.3 Å²	66.3	53%	0.526	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	132.9	170.8	0	0	0	0	0	111.4	V95	G78-V95 CarbonylContact C-O 3.51Å; G78-V95 WeakPolarHBondContact CA-O 3.06Å
79	W	95.2	Very high	94.2	Very high	22 Å²	22	66.5 Å²	66.5	8%	0.083	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	137.3	174.8	170.2	58.6	0	0	0	110.5	P81 F83 L85 V95 M97 I130 L135	W79-P81 HydrophobicContact CE3-CG 4.26Å; W79-P81 HydrophobicContact CH2-CB 3.96Å; W79-P81 HydrophobicContact CH2-CG 3.89Å; W79-P81 HydrophobicContact CZ2-CB 3.98Å; W79-P81 HydrophobicContact CZ2-CG 4.21Å; W79-P81 HydrophobicContact CZ3-CB 4.49Å; W79-P81 HydrophobicContact CZ3-CG 3.93Å; W79-F83 HydrophobicContact CH2-CE1 4.26Å; W79-F83 HydrophobicContact CH2-CE2 4.24Å; W79-F83 AromaticContact CH2-CZ 3.62Å; W79-F83 HydrophobicContact CH2-CZ 3.62Å; W79-F83 HydrophobicContact CZ2-CE1 4.03Å; W79-F83 AromaticContact CZ2-CZ 3.86Å; W79-F83 HydrophobicContact CZ2-CZ 3.86Å; W79-L85 HydrophobicContact CH2-CD2 4.39Å; W79-L85 HydrophobicContact CZ3-CD2 4.19Å; W79-V95 HydrophobicContact CE3-CB 3.76Å; W79-V95 HydrophobicContact CE3-CG1 4.3Å; W79-V95 HydrophobicContact CE3-CG2 3.64Å; W79-V95 HydrophobicContact CZ3-CB 4.4Å; W79-V95 HydrophobicContact CZ3-CG2 3.82Å; W79-V95 PolarHBondContact N-O 3.09Å; W79-V95 PolarHBondContact O-N 3.41Å; W79-M97 HydrophobicContact CB-CE 3.5Å; W79-M97 VanDerWaalsContact CB-CE 3.5Å; W79-I130 HydrophobicContact CB-CD1 4.21Å; W79-I130 HydrophobicContact CD2-CD1 4.2Å; W79-I130 HydrophobicContact CG-CD1 3.74Å; W79-I130 HydrophobicContact CZ2-CG2 4.26Å; W79-L135 HydrophobicContact CE3-CD2 3.7Å; W79-L135 HydrophobicContact CH2-CB 4.15Å; W79-L135 HydrophobicContact CZ3-CB 3.99Å; W79-L135 HydrophobicContact CZ3-CD2 3.64Å; W79-L135 HydrophobicContact CZ3-CG 4.4Å
80	I	95.6	Very high	94.3	Very high	125 Å²	125	62.6 Å²	62.6	64%	0.641	35%	0.354	S	S	*	.			trans	-107.2	116.2	173.8	-64	174.1	0	0	0	106.7	D82	I80-D82 PolarHBondContact O-N 2.95Å
81	P	94.1	Very high	94.3	Very high	15 Å²	15	64.2 Å²	64.2	10%	0.097	37%	0.365	C	S	.	.			trans	-59.4	131.1	174.6	-21.9	32.7	0	0	0	111.1	W79 F83 L85 V92 V95	W79-P81 HydrophobicContact CE3-CG 4.26Å; W79-P81 HydrophobicContact CH2-CB 3.96Å; W79-P81 HydrophobicContact CH2-CG 3.89Å; W79-P81 HydrophobicContact CZ2-CB 3.98Å; W79-P81 HydrophobicContact CZ2-CG 4.21Å; W79-P81 HydrophobicContact CZ3-CB 4.49Å; W79-P81 HydrophobicContact CZ3-CG 3.93Å; P81-F83 VanDerWaalsContact C-N 3.26Å; P81-F83 HydrophobicContact CB-CD2 4.45Å; P81-F83 HydrophobicContact CB-CE2 4.35Å; P81-L85 HydrophobicContact CB-CB 4.11Å; P81-L85 HydrophobicContact CG-CB 4.2Å; P81-L85 HydrophobicContact CG-CD2 3.95Å; P81-V92 HydrophobicContact CG-CG1 4.19Å; P81-V95 HydrophobicContact CG-CG2 4.2Å
82	D	91.3	Very high	94.3	Very high	138 Å²	138	58.1 Å²	58.1	74%	0.738	34%	0.337	S	S	*	.	S	Bend	trans	-88.7	5	173.8	62.5	-20.9	0	0	0	112.7	I80	I80-D82 PolarHBondContact O-N 2.95Å
83	F	90.1	Very high	94.3	Very high	23 Å²	23	55.3 Å²	55.3	10%	0.101	33%	0.331	C	S	.	.	S	Bend	trans	-128.9	159.1	173.9	50.2	-101.1	0	0	0	111.2	W79 P81 L85 S156	W79-F83 HydrophobicContact CH2-CE1 4.26Å; W79-F83 HydrophobicContact CH2-CE2 4.24Å; W79-F83 AromaticContact CH2-CZ 3.62Å; W79-F83 HydrophobicContact CH2-CZ 3.62Å; W79-F83 HydrophobicContact CZ2-CE1 4.03Å; W79-F83 AromaticContact CZ2-CZ 3.86Å; W79-F83 HydrophobicContact CZ2-CZ 3.86Å; P81-F83 VanDerWaalsContact C-N 3.26Å; P81-F83 HydrophobicContact CB-CD2 4.45Å; P81-F83 HydrophobicContact CB-CE2 4.35Å; F83-L85 HydrophobicContact CD2-CB 4.06Å; F83-L85 HydrophobicContact CE2-CB 3.86Å; F83-L85 HydrophobicContact CE2-CD1 4.3Å; F83-L85 HydrophobicContact CE2-CG 4.45Å; F83-L85 PolarHBondContact O-N 3.44Å; F83-S156 VanDerWaalsContact CE2-CB 3.4Å
84	P	90.1	Very high	94.4	Very high	116 Å²	116	59.7 Å²	59.7	75%	0.753	35%	0.346	S	S	*	.			trans	-65.4	93.8	174.2	-18.6	32.1	0	0	0	111.4
85	L	94.9	Very high	94.5	Very high	5 Å²	5	54.3 Å²	54.3	3%	0.026	31%	0.314	C	S	.	.			trans	-92.3	128.5	173.5	178.2	60.4	0	0	0	109.2	W79 P81 F83 V92 V95 I154	W79-L85 HydrophobicContact CH2-CD2 4.39Å; W79-L85 HydrophobicContact CZ3-CD2 4.19Å; P81-L85 HydrophobicContact CB-CB 4.11Å; P81-L85 HydrophobicContact CG-CB 4.2Å; P81-L85 HydrophobicContact CG-CD2 3.95Å; F83-L85 HydrophobicContact CD2-CB 4.06Å; F83-L85 HydrophobicContact CE2-CB 3.86Å; F83-L85 HydrophobicContact CE2-CD1 4.3Å; F83-L85 HydrophobicContact CE2-CG 4.45Å; F83-L85 PolarHBondContact O-N 3.44Å; L85-V92 HydrophobicContact CB-CB 4.13Å; L85-V92 HydrophobicContact CD2-CB 4.05Å; L85-V92 HydrophobicContact CD2-CG1 4.13Å; L85-V92 HydrophobicContact CD2-CG2 4.18Å; L85-V92 HydrophobicContact CG-CB 4.02Å; L85-V92 HydrophobicContact CG-CG2 3.97Å; L85-V92 PolarHBondContact O-N 2.97Å; L85-V95 HydrophobicContact CD2-CG2 4.38Å; L85-I154 HydrophobicContact CD1-CG2 3.87Å; L85-I154 HydrophobicContact CD2-CG2 3.99Å
86	Q	93.6	Very high	94.6	Very high	80 Å²	80	55.2 Å²	55.2	37%	0.374	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	144.5	171.5	-66	-167.2	-14.6	0	0	111.6	Y52 A90	Y52-Q86 VanDerWaalsContact OH-CB 3.29Å; Y52-Q86 WeakPolarHBondContact OH-CB 3.35Å; Y52-Q86 PolarHBondContact OH-OE1 3.32Å; Q86-A90 WeakPolarHBondContact CA-O 3.09Å
87	F	95.4	Very high	94.7	Very high	3 Å²	3	49.2 Å²	49.2	1%	0.013	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	114.5	174.7	-176.5	-93.4	0	0	0	108.7	G89 A90 V92 M105 I111 I114 I160 F178 V179	F87-G89 PolarHBondContact O-N 3.17Å; F87-G89 VanDerWaalsContact O-N 3.09Å; F87-A90 PolarHBondContact N-O 2.82Å; F87-A90 PolarHBondContact O-N 3.09Å; F87-A90 VanDerWaalsContact O-N 3.13Å; F87-V92 HydrophobicContact CB-CG2 3.44Å; F87-V92 VanDerWaalsContact CB-CG2 3.44Å; F87-M105 HydrophobicContact CB-CG 4.46Å; F87-M105 HydrophobicContact CD1-CB 3.9Å; F87-M105 HydrophobicContact CD1-CG 3.89Å; F87-M105 HydrophobicContact CD2-CE 4.11Å; F87-M105 HydrophobicContact CD2-CG 3.71Å; F87-M105 HydrophobicContact CD2-SD 4.37Å; F87-M105 HydrophobicContact CE1-CB 4.1Å; F87-M105 HydrophobicContact CE1-CG 3.9Å; F87-M105 HydrophobicContact CE2-CE 4.07Å; F87-M105 HydrophobicContact CE2-CG 3.69Å; F87-M105 HydrophobicContact CG-CB 4.13Å; F87-M105 HydrophobicContact CG-CG 3.78Å; F87-M105 HydrophobicContact CZ-CB 4.49Å; F87-M105 HydrophobicContact CZ-CG 3.81Å; F87-I111 HydrophobicContact CB-CD1 4.22Å; F87-I111 HydrophobicContact CD1-CD1 4.16Å; F87-I111 HydrophobicContact CD1-CG1 4.33Å; F87-I114 HydrophobicContact CE2-CD1 4.42Å; F87-I114 HydrophobicContact CE2-CG1 4.37Å; F87-I160 HydrophobicContact CD2-CD1 3.92Å; F87-I160 HydrophobicContact CE2-CD1 3.99Å; F87-F178 HydrophobicContact CD2-CE2 4.27Å; F87-F178 HydrophobicContact CE2-CD2 4.11Å; F87-F178 AromaticContact CE2-CE2 3.35Å; F87-F178 HydrophobicContact CE2-CE2 3.35Å; F87-F178 HydrophobicContact CE2-CZ 4.26Å; F87-F178 HydrophobicContact CZ-CD2 4.03Å; F87-F178 AromaticContact CZ-CE2 3.56Å; F87-F178 HydrophobicContact CZ-CE2 3.56Å; F87-V179 WeakPolarHBondContact CE1-O 3Å
88	Y	92.9	Very high	94.7	Very high	7 Å²	7	45.8 Å²	45.8	3%	0.027	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	32.5	-177.3	-81.6	-65.8	0	0	0	113.4	Y52 Y53 A90 F178 V179 Y182 V192	Y52-Y88 VanDerWaalsContact CD1-CA 3.42Å; Y52-Y88 HydrophobicContact CD1-CD1 4.21Å; Y52-Y88 VanDerWaalsContact CE1-N 3.34Å; Y52-Y88 HydrophobicContact CG-CD1 4.42Å; Y53-Y88 AromaticContact CD2-CD1 3.84Å; Y53-Y88 HydrophobicContact CD2-CD1 3.84Å; Y53-Y88 HydrophobicContact CD2-CD2 4.49Å; Y53-Y88 AromaticContact CD2-CE1 3.56Å; Y53-Y88 HydrophobicContact CD2-CE1 3.56Å; Y53-Y88 HydrophobicContact CD2-CE2 4.24Å; Y53-Y88 HydrophobicContact CD2-CG 4.35Å; Y53-Y88 AromaticContact CD2-CZ 3.79Å; Y53-Y88 AromaticContact CE2-CD1 3.82Å; Y53-Y88 HydrophobicContact CE2-CD1 3.82Å; Y53-Y88 AromaticContact CE2-CD2 3.88Å; Y53-Y88 HydrophobicContact CE2-CD2 3.88Å; Y53-Y88 AromaticContact CE2-CE1 3.91Å; Y53-Y88 HydrophobicContact CE2-CE1 3.91Å; Y53-Y88 AromaticContact CE2-CE2 3.94Å; Y53-Y88 HydrophobicContact CE2-CE2 3.94Å; Y53-Y88 AromaticContact CE2-CG 3.86Å; Y53-Y88 HydrophobicContact CE2-CG 3.86Å; Y53-Y88 AromaticContact CE2-CZ 3.98Å; Y88-A90 VanDerWaalsContact C-N 3.32Å; Y88-A90 PolarHBondContact O-N 2.93Å; Y88-F178 HydrophobicContact CD2-CE2 4.21Å; Y88-F178 AromaticContact CE2-CD2 3.97Å; Y88-F178 HydrophobicContact CE2-CD2 3.97Å; Y88-F178 AromaticContact CE2-CE2 3.46Å; Y88-F178 HydrophobicContact CE2-CE2 3.46Å; Y88-F178 VanDerWaalsContact CE2-CE2 3.46Å; Y88-F178 AromaticContact CE2-CZ 3.96Å; Y88-F178 HydrophobicContact CE2-CZ 3.96Å; Y88-F178 PolarHBondContact OH-O 2.73Å; Y88-V179 VanDerWaalsContact CE2-C 3.49Å; Y88-Y182 WeakPolarHBondContact CB-OH 3.44Å; Y88-Y182 HydrophobicContact CD1-CE2 4.4Å; Y88-Y182 WeakPolarHBondContact CD1-OH 3.43Å; Y88-Y182 WeakPolarHBondContact O-CE1 3.09Å; Y88-Y182 PolarHBondContact O-OH 3.25Å; Y88-Y182 VanDerWaalsContact O-OH 3.11Å; Y88-V192 HydrophobicContact CE1-CB 4.14Å; Y88-V192 HydrophobicContact CE1-CG1 4Å; Y88-V192 PolarHBondContact OH-O 3.4Å
89	G	90.3	Very high	94.7	Very high	40 Å²	40	45.5 Å²	45.5	41%	0.412	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.4	-12.1	176.2	0	0	0	0	0	115.2	Y52 F87	Y52-G89 PolarHBondContact OH-N 3.39Å; F87-G89 PolarHBondContact O-N 3.17Å; F87-G89 VanDerWaalsContact O-N 3.09Å
90	A	92.9	Very high	94.7	Very high	21 Å²	21	50.7 Å²	50.7	17%	0.174	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	150.3	173.7	0	0	0	0	0	111.3	Q86 F87 Y88 V92 I111	Q86-A90 WeakPolarHBondContact CA-O 3.09Å; F87-A90 PolarHBondContact N-O 2.82Å; F87-A90 PolarHBondContact O-N 3.09Å; F87-A90 VanDerWaalsContact O-N 3.13Å; Y88-A90 VanDerWaalsContact C-N 3.32Å; Y88-A90 PolarHBondContact O-N 2.93Å; A90-V92 PolarHBondContact O-N 2.87Å; A90-I111 HydrophobicContact CB-CD1 3.65Å; A90-I111 HydrophobicContact CB-CG2 4.23Å
91	N	95.2	Very high	94.7	Very high	85 Å²	85	44.8 Å²	44.8	46%	0.455	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	114.5	177.2	-67.3	-45.4	0	0	0	109.3	T93 E107	N91-T93 PolarHBondContact O-N 3.49Å; N91-E107 PolarHBondContact N-OE1 3Å; N91-E107 VanDerWaalsContact O-CB 3.29Å; N91-E107 WeakPolarHBondContact O-CB 3.19Å; N91-E107 WeakPolarHBondContact O-CG 3.23Å
92	V	97.1	Very high	94.8	Very high	10 Å²	10	45.4 Å²	45.4	6%	0.061	25%	0.247	C	C	.	.			trans	-71.9	118	-179.2	-176.6	0	0	0	0	109.5	P81 L85 F87 A90 V95 M105 Y106 I111	P81-V92 HydrophobicContact CG-CG1 4.19Å; L85-V92 HydrophobicContact CB-CB 4.13Å; L85-V92 HydrophobicContact CD2-CB 4.05Å; L85-V92 HydrophobicContact CD2-CG1 4.13Å; L85-V92 HydrophobicContact CD2-CG2 4.18Å; L85-V92 HydrophobicContact CG-CB 4.02Å; L85-V92 HydrophobicContact CG-CG2 3.97Å; L85-V92 PolarHBondContact O-N 2.97Å; F87-V92 HydrophobicContact CB-CG2 3.44Å; F87-V92 VanDerWaalsContact CB-CG2 3.44Å; A90-V92 PolarHBondContact O-N 2.87Å; V92-V95 HydrophobicContact CG1-CG2 3.58Å; V92-M105 HydrophobicContact CG1-SD 4.32Å; V92-Y106 CarbonylContact C-O 3.59Å; V92-Y106 WeakPolarHBondContact CA-O 3.45Å; V92-I111 HydrophobicContact CG2-CD1 4.2Å
93	T	97.1	Very high	95.2	Very high	68 Å²	68	38.8 Å²	38.8	42%	0.417	21%	0.212	S	C	.	.			trans	-98.5	-24.3	176.1	62.3	0	0	0	0	111.8	N91 Y106 E107	N91-T93 PolarHBondContact O-N 3.49Å; T93-Y106 PolarHBondContact N-O 3Å; T93-Y106 PolarHBondContact OG1-O 3.46Å; T93-E107 HydrophobicContact CG2-CG 4.35Å; T93-E107 WeakPolarHBondContact OG1-CA 3.49Å; T93-E107 PolarHBondContact OG1-O 3.03Å
94	R	97.4	Very high	95.6	Very high	102 Å²	102	40.7 Å²	40.7	39%	0.385	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	141	179.4	-179.8	180	69.3	166.8	11.2	110.7	E96 Y106	R94-E96 HydrophobicContact CG-CG 4.36Å; R94-E96 IonicContact CZ-OE1 3.97Å; R94-E96 IonicContact NE-OE1 3.71Å; R94-E96 PolarHBondContact NE-OE1 2.8Å; R94-E96 IonicContact NH1-OE1 3.65Å; R94-E96 PolarHBondContact NH1-OE1 3.06Å; R94-E96 IonicContact NH2-OE1 3.26Å; R94-E96 PolarHBondContact NH2-OE1 3.24Å; R94-Y106 PolarHBondContact N-O 3.44Å; R94-Y106 WeakPolarHBondContact O-CB 3.29Å; R94-Y106 PolarHBondContact O-N 3.27Å
95	V	97.9	Very high	95.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	133.8	172	-175.9	0	0	0	0	107.8	G78 W79 P81 L85 V92 M97 I103 R104 M105 L135	G78-V95 CarbonylContact C-O 3.51Å; G78-V95 WeakPolarHBondContact CA-O 3.06Å; W79-V95 HydrophobicContact CE3-CB 3.76Å; W79-V95 HydrophobicContact CE3-CG1 4.3Å; W79-V95 HydrophobicContact CE3-CG2 3.64Å; W79-V95 HydrophobicContact CZ3-CB 4.4Å; W79-V95 HydrophobicContact CZ3-CG2 3.82Å; W79-V95 PolarHBondContact N-O 3.09Å; W79-V95 PolarHBondContact O-N 3.41Å; P81-V95 HydrophobicContact CG-CG2 4.2Å; L85-V95 HydrophobicContact CD2-CG2 4.38Å; V92-V95 HydrophobicContact CG1-CG2 3.58Å; V95-M97 HydrophobicContact CG1-CE 4.26Å; V95-M97 HydrophobicContact CG1-CG 3.97Å; V95-M97 HydrophobicContact CG1-SD 4.22Å; V95-I103 HydrophobicContact CG1-CG2 3.46Å; V95-I103 VanDerWaalsContact CG1-CG2 3.46Å; V95-R104 WeakPolarHBondContact CA-O 3.35Å; V95-M105 HydrophobicContact CB-SD 4.37Å; V95-M105 HydrophobicContact CG1-CE 4.35Å; V95-M105 HydrophobicContact CG1-SD 3.95Å; V95-M105 HydrophobicContact CG2-SD 3.75Å; V95-L135 HydrophobicContact CG1-CD2 4.42Å
96	E	97.8	Very high	96.1	Very high	45 Å²	45	36.7 Å²	36.7	21%	0.21	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	126.4	172.2	-64.5	178.1	175.2	0	0	108.8	H77 R94 I103 R104 Y106	H77-E96 WeakPolarHBondContact O-CA 3.32Å; R94-E96 HydrophobicContact CG-CG 4.36Å; R94-E96 IonicContact CZ-OE1 3.97Å; R94-E96 IonicContact NE-OE1 3.71Å; R94-E96 PolarHBondContact NE-OE1 2.8Å; R94-E96 IonicContact NH1-OE1 3.65Å; R94-E96 PolarHBondContact NH1-OE1 3.06Å; R94-E96 IonicContact NH2-OE1 3.26Å; R94-E96 PolarHBondContact NH2-OE1 3.24Å; E96-I103 CarbonylContact O-C 3.48Å; E96-I103 WeakPolarHBondContact O-CA 3.31Å; E96-R104 HydrophobicContact CB-CB 4.38Å; E96-R104 PolarHBondContact N-O 2.96Å; E96-R104 PolarHBondContact O-N 3.34Å; E96-Y106 HydrophobicContact CB-CE2 4.09Å; E96-Y106 HydrophobicContact CG-CD2 4.29Å; E96-Y106 HydrophobicContact CG-CE2 3.78Å; E96-Y106 WeakPolarHBondContact OE2-CE2 2.93Å; E96-Y106 PolarHBondContact OE2-OH 2.99Å
97	M	97.1	Very high	96.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	140.6	-176.7	-60.4	147.2	-74.9	0	0	109.2	L73 D76 H77 W79 V95 L102 I103 I128 L135 L137	L73-M97 HydrophobicContact CD1-CB 4.33Å; D76-M97 CarbonylContact C-O 3.55Å; D76-M97 WeakPolarHBondContact CA-O 3Å; H77-M97 HydrophobicContact CB-CE 4.49Å; H77-M97 PolarHBondContact N-O 3.3Å; H77-M97 WeakPolarHBondContact O-CE 2.91Å; H77-M97 PolarHBondContact O-N 3.4Å; W79-M97 HydrophobicContact CB-CE 3.5Å; W79-M97 VanDerWaalsContact CB-CE 3.5Å; V95-M97 HydrophobicContact CG1-CE 4.26Å; V95-M97 HydrophobicContact CG1-CG 3.97Å; V95-M97 HydrophobicContact CG1-SD 4.22Å; M97-L102 CarbonylContact C-O 3.58Å; M97-L102 WeakPolarHBondContact CA-O 3.41Å; M97-I103 HydrophobicContact CG-CB 4.49Å; M97-I103 HydrophobicContact CG-CG1 4.19Å; M97-I103 HydrophobicContact CG-CG2 3.93Å; M97-I128 HydrophobicContact CE-CD1 4.01Å; M97-I128 HydrophobicContact SD-CD1 3.65Å; M97-L135 HydrophobicContact SD-CD1 3.72Å; M97-L135 HydrophobicContact SD-CD2 3.58Å; M97-L135 VanDerWaalsContact SD-CD2 3.58Å; M97-L135 HydrophobicContact SD-CG 4.28Å; M97-L137 HydrophobicContact CB-CD1 4.21Å; M97-L137 HydrophobicContact CB-CD2 4.43Å; M97-L137 HydrophobicContact CG-CD1 3.69Å; M97-L137 HydrophobicContact SD-CD1 3.77Å; M97-L137 HydrophobicContact SD-CD2 4.37Å; M97-L137 HydrophobicContact SD-CG 4.43Å
98	T	96.7	Very high	96	Very high	5 Å²	5	44.4 Å²	44.4	3%	0.031	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	153.1	177.7	78.3	0	0	0	0	110.7	D76 E100 G101 L102 W139	D76-T98 WeakPolarHBondContact OD1-CG2 3.4Å; T98-E100 PolarHBondContact O-N 3.44Å; T98-E100 PolarHBondContact OG1-N 3.18Å; T98-G101 PolarHBondContact O-N 3.1Å; T98-L102 HydrophobicContact CG2-CB 4.15Å; T98-L102 PolarHBondContact N-O 3.05Å; T98-L102 WeakPolarHBondContact OG1-CB 3.46Å; T98-L102 PolarHBondContact OG1-N 3.07Å; T98-W139 PolarHBondContact O-NE1 3.4Å
99	D	95.8	Very high	96.1	Very high	46 Å²	46	45.9 Å²	45.9	25%	0.246	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-8.6	167	58.3	-6.3	0	0	0	112.7	L73 V74 G75 P123 C126	L73-D99 HydrophobicContact CD2-CB 3.75Å; L73-D99 VanDerWaalsContact CD2-N 3.28Å; V74-D99 WeakPolarHBondContact CA-OD2 3.29Å; G75-D99 PolarHBondContact N-OD1 3.01Å; G75-D99 PolarHBondContact N-OD2 3.44Å; G75-D99 PolarHBondContact O-N 3.13Å; G75-D99 VanDerWaalsContact O-N 3.15Å; D99-P123 VanDerWaalsContact O-CB 3.26Å; D99-P123 WeakPolarHBondContact O-CB 3.4Å; D99-P123 VanDerWaalsContact O-CG 3.28Å; D99-P123 WeakPolarHBondContact O-CG 3.26Å; D99-C126 HydrophobicContact CB-CB 3.74Å
100	E	95.6	Very high	96.3	Very high	131 Å²	131	47 Å²	47	61%	0.612	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.5	4.3	177.9	-58.9	-170.1	161.8	0	0	115.3	T98 P123	T98-E100 PolarHBondContact O-N 3.44Å; T98-E100 PolarHBondContact OG1-N 3.18Å; E100-P123 VanDerWaalsContact C-CG 3.43Å; E100-P123 WeakPolarHBondContact O-CD 3.21Å
101	G	95.4	Very high	96.5	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	99.9	9.2	174	0	0	0	0	0	114.7	T98 H116	T98-G101 PolarHBondContact O-N 3.1Å; G101-H116 PolarHBondContact O-N 2.86Å
102	L	97	Very high	96.6	Very high	28 Å²	28	42.9 Å²	42.9	15%	0.147	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	136.9	-173.8	-169.9	66.5	0	0	0	111.8	M97 T98 R104 T113 D115	M97-L102 CarbonylContact C-O 3.58Å; M97-L102 WeakPolarHBondContact CA-O 3.41Å; T98-L102 HydrophobicContact CG2-CB 4.15Å; T98-L102 PolarHBondContact N-O 3.05Å; T98-L102 WeakPolarHBondContact OG1-CB 3.46Å; T98-L102 PolarHBondContact OG1-N 3.07Å; L102-R104 HydrophobicContact CD2-CG 4.16Å; L102-R104 HydrophobicContact CG-CG 4.17Å; L102-T113 WeakPolarHBondContact CD1-OG1 3.26Å; L102-D115 HydrophobicContact CD1-CB 3.7Å
103	I	98.1	Very high	96.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	116.9	169	-49.8	162.3	0	0	0	108.5	V95 E96 M97 M105 T113 I114 L137 W139 T152 I154	V95-I103 HydrophobicContact CG1-CG2 3.46Å; V95-I103 VanDerWaalsContact CG1-CG2 3.46Å; E96-I103 CarbonylContact O-C 3.48Å; E96-I103 WeakPolarHBondContact O-CA 3.31Å; M97-I103 HydrophobicContact CG-CB 4.49Å; M97-I103 HydrophobicContact CG-CG1 4.19Å; M97-I103 HydrophobicContact CG-CG2 3.93Å; I103-M105 HydrophobicContact CG2-CE 3.6Å; I103-M105 HydrophobicContact CG2-SD 4.31Å; I103-T113 CarbonylContact O-C 3.56Å; I103-T113 WeakPolarHBondContact O-CA 3.46Å; I103-T113 PolarHBondContact O-OG1 2.9Å; I103-T113 VanDerWaalsContact O-OG1 3.12Å; I103-I114 HydrophobicContact CB-CB 4.17Å; I103-I114 HydrophobicContact CD1-CB 4.1Å; I103-I114 HydrophobicContact CD1-CD1 4.07Å; I103-I114 HydrophobicContact CD1-CG2 4.16Å; I103-I114 PolarHBondContact N-O 2.95Å; I103-I114 PolarHBondContact O-N 3.39Å; I103-L137 HydrophobicContact CD1-CD1 3.69Å; I103-L137 HydrophobicContact CG1-CD1 3.79Å; I103-W139 HydrophobicContact CD1-CH2 3.78Å; I103-W139 HydrophobicContact CG1-CH2 3.88Å; I103-W139 HydrophobicContact CG1-CZ2 4.25Å; I103-T152 HydrophobicContact CD1-CG2 3.87Å; I103-I154 HydrophobicContact CD1-CD1 4.09Å; I103-I154 HydrophobicContact CG2-CD1 4.47Å
104	R	98.3	Very high	96.6	Very high	62 Å²	62	39.6 Å²	39.6	23%	0.234	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	135.1	175.5	-59.8	-175.1	-177.6	101.7	-2.3	110.7	V95 E96 L102 Y106 Y110	V95-R104 WeakPolarHBondContact CA-O 3.35Å; E96-R104 HydrophobicContact CB-CB 4.38Å; E96-R104 PolarHBondContact N-O 2.96Å; E96-R104 PolarHBondContact O-N 3.34Å; L102-R104 HydrophobicContact CD2-CG 4.16Å; L102-R104 HydrophobicContact CG-CG 4.17Å; R104-Y106 HydrophobicContact CB-CD2 4.42Å; R104-Y106 HydrophobicContact CB-CE2 3.51Å; R104-Y106 VanDerWaalsContact CD-OH 3.22Å; R104-Y106 WeakPolarHBondContact CD-OH 2.98Å; R104-Y110 HydrophobicContact CB-CD2 4.34Å; R104-Y110 HydrophobicContact CB-CE2 4.11Å; R104-Y110 HydrophobicContact CG-CE2 4.16Å
105	M	98	Very high	96.5	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	136.7	179.6	-58.1	-63.1	179.8	0	0	109.9	F87 V92 V95 I103 I111 G112 I114 I154	F87-M105 HydrophobicContact CB-CG 4.46Å; F87-M105 HydrophobicContact CD1-CB 3.9Å; F87-M105 HydrophobicContact CD1-CG 3.89Å; F87-M105 HydrophobicContact CD2-CE 4.11Å; F87-M105 HydrophobicContact CD2-CG 3.71Å; F87-M105 HydrophobicContact CD2-SD 4.37Å; F87-M105 HydrophobicContact CE1-CB 4.1Å; F87-M105 HydrophobicContact CE1-CG 3.9Å; F87-M105 HydrophobicContact CE2-CE 4.07Å; F87-M105 HydrophobicContact CE2-CG 3.69Å; F87-M105 HydrophobicContact CG-CB 4.13Å; F87-M105 HydrophobicContact CG-CG 3.78Å; F87-M105 HydrophobicContact CZ-CB 4.49Å; F87-M105 HydrophobicContact CZ-CG 3.81Å; V92-M105 HydrophobicContact CG1-SD 4.32Å; V95-M105 HydrophobicContact CB-SD 4.37Å; V95-M105 HydrophobicContact CG1-CE 4.35Å; V95-M105 HydrophobicContact CG1-SD 3.95Å; V95-M105 HydrophobicContact CG2-SD 3.75Å; I103-M105 HydrophobicContact CG2-CE 3.6Å; I103-M105 HydrophobicContact CG2-SD 4.31Å; M105-I111 HydrophobicContact CB-CD1 4.09Å; M105-I111 HydrophobicContact CB-CG1 3.75Å; M105-I111 VanDerWaalsContact O-CG1 3.24Å; M105-I111 WeakPolarHBondContact O-CG1 3.34Å; M105-I111 PolarHBondContact O-N 2.93Å; M105-G112 PolarHBondContact N-O 3.46Å; M105-I114 HydrophobicContact CE-CD1 4.16Å; M105-I154 HydrophobicContact CE-CD1 3.61Å
106	Y	98	Very high	96.4	Very high	36 Å²	36	36.5 Å²	36.5	14%	0.141	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	144.3	-179.8	-61.2	-95.3	0	0	0	112	V92 T93 R94 E96 R104 G109 Y110	V92-Y106 CarbonylContact C-O 3.59Å; V92-Y106 WeakPolarHBondContact CA-O 3.45Å; T93-Y106 PolarHBondContact N-O 3Å; T93-Y106 PolarHBondContact OG1-O 3.46Å; R94-Y106 PolarHBondContact N-O 3.44Å; R94-Y106 WeakPolarHBondContact O-CB 3.29Å; R94-Y106 PolarHBondContact O-N 3.27Å; E96-Y106 HydrophobicContact CB-CE2 4.09Å; E96-Y106 HydrophobicContact CG-CD2 4.29Å; E96-Y106 HydrophobicContact CG-CE2 3.78Å; E96-Y106 WeakPolarHBondContact OE2-CE2 2.93Å; E96-Y106 PolarHBondContact OE2-OH 2.99Å; R104-Y106 HydrophobicContact CB-CD2 4.42Å; R104-Y106 HydrophobicContact CB-CE2 3.51Å; R104-Y106 VanDerWaalsContact CD-OH 3.22Å; R104-Y106 WeakPolarHBondContact CD-OH 2.98Å; Y106-G109 VanDerWaalsContact CA-O 3.23Å; Y106-G109 WeakPolarHBondContact CA-O 3.29Å; Y106-Y110 HydrophobicContact CE1-CD2 4.27Å
107	E	95.6	Very high	96.2	Very high	61 Å²	61	38.5 Å²	38.5	29%	0.285	19%	0.187	S	C	.	.	S	Bend	trans	-114.7	-98.9	161.9	-178.8	-175	-111.1	0	0	108.7	N91 T93 G109 I111	N91-E107 PolarHBondContact N-OE1 3Å; N91-E107 VanDerWaalsContact O-CB 3.29Å; N91-E107 WeakPolarHBondContact O-CB 3.19Å; N91-E107 WeakPolarHBondContact O-CG 3.23Å; T93-E107 HydrophobicContact CG2-CG 4.35Å; T93-E107 WeakPolarHBondContact OG1-CA 3.49Å; T93-E107 PolarHBondContact OG1-O 3.03Å; E107-G109 PolarHBondContact N-O 3.32Å; E107-I111 HydrophobicContact CB-CD1 4.47Å; E107-I111 HydrophobicContact CB-CG2 4.05Å
108	H	92	Very high	96	Very high	185 Å²	185	38.5 Å²	38.5	86%	0.856	19%	0.187	S	C	*	.	S	Bend	trans	-85.2	-17.8	167.5	-67.3	-62.3	0	0	0	112.4
109	G	93.9	Very high	95.7	Very high	37 Å²	37	41.3 Å²	41.3	38%	0.381	21%	0.207	S	C	.	.	S	Bend	trans	-154.9	-170.7	176.2	0	0	0	0	0	109.4	Y106 E107 I111	Y106-G109 VanDerWaalsContact CA-O 3.23Å; Y106-G109 WeakPolarHBondContact CA-O 3.29Å; E107-G109 PolarHBondContact N-O 3.32Å; G109-I111 PolarHBondContact O-N 2.02Å
110	Y	95.6	Very high	95.4	Very high	64 Å²	64	42.7 Å²	42.7	25%	0.251	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	124	177.4	174	-109.3	0	0	0	110.9	R104 Y106 G112 T113 F181	R104-Y110 HydrophobicContact CB-CD2 4.34Å; R104-Y110 HydrophobicContact CB-CE2 4.11Å; R104-Y110 HydrophobicContact CG-CE2 4.16Å; Y106-Y110 HydrophobicContact CE1-CD2 4.27Å; Y110-G112 WeakPolarHBondContact CE2-O 3.5Å; Y110-T113 WeakPolarHBondContact OH-CB 3.46Å; Y110-T113 VanDerWaalsContact OH-CG2 3.24Å; Y110-T113 WeakPolarHBondContact OH-CG2 3.37Å; Y110-F181 HydrophobicContact CD1-CD2 4.19Å; Y110-F181 HydrophobicContact CD1-CE2 4.29Å; Y110-F181 AromaticContact CE1-CD2 3.6Å; Y110-F181 HydrophobicContact CE1-CD2 3.6Å; Y110-F181 AromaticContact CE1-CE2 3.3Å; Y110-F181 HydrophobicContact CE1-CE2 3.3Å; Y110-F181 HydrophobicContact CE1-CZ 4.01Å; Y110-F181 AromaticContact CZ-CE2 3.72Å; Y110-F181 WeakPolarHBondContact OH-CE2 3.38Å
111	I	96.1	Very high	95.3	Very high	20 Å²	20	39.2 Å²	39.2	10%	0.103	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	-11.6	-177.6	58.4	166.2	0	0	0	113	F87 A90 V92 M105 E107 G109 F181	F87-I111 HydrophobicContact CB-CD1 4.22Å; F87-I111 HydrophobicContact CD1-CD1 4.16Å; F87-I111 HydrophobicContact CD1-CG1 4.33Å; A90-I111 HydrophobicContact CB-CD1 3.65Å; A90-I111 HydrophobicContact CB-CG2 4.23Å; V92-I111 HydrophobicContact CG2-CD1 4.2Å; M105-I111 HydrophobicContact CB-CD1 4.09Å; M105-I111 HydrophobicContact CB-CG1 3.75Å; M105-I111 VanDerWaalsContact O-CG1 3.24Å; M105-I111 WeakPolarHBondContact O-CG1 3.34Å; M105-I111 PolarHBondContact O-N 2.93Å; E107-I111 HydrophobicContact CB-CD1 4.47Å; E107-I111 HydrophobicContact CB-CG2 4.05Å; G109-I111 PolarHBondContact O-N 2.02Å; I111-F181 PolarHBondContact O-N 3.25Å
112	G	97.1	Very high	95.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157	-173.1	171.1	0	0	0	0	0	114.8	M105 Y110 V179	M105-G112 PolarHBondContact N-O 3.46Å; Y110-G112 WeakPolarHBondContact CE2-O 3.5Å; G112-V179 CarbonylContact C-O 3.56Å; G112-V179 VanDerWaalsContact CA-O 3.23Å; G112-V179 WeakPolarHBondContact CA-O 3.41Å
113	T	97.4	Very high	94.9	Very high	9 Å²	9	43.5 Å²	43.5	6%	0.055	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	154.3	-167.4	-170.7	0	0	0	0	112.9	L102 I103 Y110 V179	L102-T113 WeakPolarHBondContact CD1-OG1 3.26Å; I103-T113 CarbonylContact O-C 3.56Å; I103-T113 WeakPolarHBondContact O-CA 3.46Å; I103-T113 PolarHBondContact O-OG1 2.9Å; I103-T113 VanDerWaalsContact O-OG1 3.12Å; Y110-T113 WeakPolarHBondContact OH-CB 3.46Å; Y110-T113 VanDerWaalsContact OH-CG2 3.24Å; Y110-T113 WeakPolarHBondContact OH-CG2 3.37Å; T113-V179 HydrophobicContact CG2-CB 4.21Å; T113-V179 HydrophobicContact CG2-CG2 4.42Å; T113-V179 PolarHBondContact N-O 3.32Å; T113-V179 PolarHBondContact O-N 3.21Å
114	I	97.7	Very high	94.8	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	122.6	160.6	-62.1	167.4	0	0	0	106	F87 I103 M105 I154 I160 F162 L176 Q177 F178	F87-I114 HydrophobicContact CE2-CD1 4.42Å; F87-I114 HydrophobicContact CE2-CG1 4.37Å; I103-I114 HydrophobicContact CB-CB 4.17Å; I103-I114 HydrophobicContact CD1-CB 4.1Å; I103-I114 HydrophobicContact CD1-CD1 4.07Å; I103-I114 HydrophobicContact CD1-CG2 4.16Å; I103-I114 PolarHBondContact N-O 2.95Å; I103-I114 PolarHBondContact O-N 3.39Å; M105-I114 HydrophobicContact CE-CD1 4.16Å; I114-I154 HydrophobicContact CD1-CD1 4.39Å; I114-I160 HydrophobicContact CD1-CD1 4.25Å; I114-I160 HydrophobicContact CD1-CG2 4.01Å; I114-F162 HydrophobicContact CD1-CE1 4.33Å; I114-F162 HydrophobicContact CD1-CZ 4.04Å; I114-F162 HydrophobicContact CG1-CZ 4.25Å; I114-F162 HydrophobicContact CG2-CE1 3.47Å; I114-F162 VanDerWaalsContact CG2-CE1 3.47Å; I114-F162 HydrophobicContact CG2-CZ 3.75Å; I114-L176 HydrophobicContact CG2-CD1 4.03Å; I114-Q177 CarbonylContact C-O 3.56Å; I114-Q177 VanDerWaalsContact CA-O 3.3Å; I114-Q177 WeakPolarHBondContact CA-O 3.24Å; I114-F178 HydrophobicContact CG1-CD2 3.81Å; I114-F178 HydrophobicContact CG1-CE2 4.33Å; I114-F178 HydrophobicContact CG1-CG 4.47Å
115	D	95.9	Very high	94.7	Very high	36 Å²	36	46.9 Å²	46.9	19%	0.193	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	117.6	-179.1	-171.1	4.7	0	0	0	110.6	L102 L176 Q177	L102-D115 HydrophobicContact CD1-CB 3.7Å; D115-L176 WeakPolarHBondContact O-CA 3.42Å; D115-Q177 HydrophobicContact CB-CB 4.09Å; D115-Q177 PolarHBondContact N-O 3.23Å; D115-Q177 PolarHBondContact O-N 2.79Å
116	H	95.6	Very high	94.7	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	98	172.1	-66.2	-102.1	0	0	0	109.1	G101 W139 F141 T150 T152 F162 Y174	G101-H116 PolarHBondContact O-N 2.86Å; H116-W139 AromaticContact CD2-CZ3 3.71Å; H116-W139 AromaticContact NE2-CZ3 3.65Å; H116-F141 HydrophobicContact CB-CZ 4.17Å; H116-F141 WeakPolarHBondContact O-CZ 3.19Å; H116-T150 WeakPolarHBondContact ND1-CG2 3.4Å; H116-T152 PolarHBondContact CE1-OG1 2.84Å; H116-T152 PolarHBondContact NE2-OG1 2.83Å; H116-F162 AromaticContact CE1-CD1 3.64Å; H116-F162 AromaticContact NE2-CD1 3.8Å; H116-F162 AromaticContact NE2-CE1 3.74Å; H116-Y174 HydrophobicContact CB-CE2 4.32Å; H116-Y174 PolarHBondContact ND1-OH 2.8Å
117	F	93.2	Very high	94.6	Very high	86 Å²	86	47.9 Å²	47.9	38%	0.377	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	134.5	-173.4	-179.9	-106.8	0	0	0	112.2	Y174 Q175	F117-Y174 CarbonylContact O-C 3.58Å; F117-Y174 WeakPolarHBondContact O-CA 3.49Å; F117-Q175 PolarHBondContact N-O 3.36Å; F117-Q175 PolarHBondContact O-N 3.06Å
118	I	92.6	Very high	94.7	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	118.2	165.2	-55.8	179.3	0	0	0	108	G120 F121 F141 V143 F148 K173 Y174	I118-G120 PolarHBondContact O-N 3.15Å; I118-F121 HydrophobicContact CB-CB 4.22Å; I118-F121 HydrophobicContact CB-CD2 4.49Å; I118-F121 HydrophobicContact CG2-CB 4.26Å; I118-F121 HydrophobicContact CG2-CD2 3.65Å; I118-F121 HydrophobicContact CG2-CE2 4.47Å; I118-F121 HydrophobicContact CG2-CG 4.35Å; I118-F121 PolarHBondContact O-N 2.67Å; I118-F141 HydrophobicContact CB-CD1 4.45Å; I118-F141 HydrophobicContact CD1-CB 3.96Å; I118-F141 HydrophobicContact CD1-CD1 3.8Å; I118-F141 HydrophobicContact CD1-CD2 4.04Å; I118-F141 HydrophobicContact CD1-CE1 4.25Å; I118-F141 HydrophobicContact CD1-CG 3.68Å; I118-F141 HydrophobicContact CG1-CD1 4.13Å; I118-F141 HydrophobicContact CG1-CE1 4.18Å; I118-F141 HydrophobicContact CG1-CG 4.47Å; I118-V143 HydrophobicContact CD1-CG1 4.13Å; I118-F148 HydrophobicContact CD1-CB 3.89Å; I118-F148 HydrophobicContact CD1-CD1 4.01Å; I118-F148 HydrophobicContact CD1-CD2 4.16Å; I118-F148 HydrophobicContact CD1-CG 3.77Å; I118-K173 HydrophobicContact CG2-CB 4.3Å; I118-Y174 HydrophobicContact CD1-CD2 4.18Å; I118-Y174 HydrophobicContact CG1-CD2 3.65Å; I118-Y174 HydrophobicContact CG1-CG 4.41Å
119	S	90.4	Very high	94.8	Very high	64 Å²	64	37.3 Å²	37.3	45%	0.448	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	118.4	179.7	-175.4	0	0	0	0	112.1	K173	S119-K173 PolarHBondContact N-O 2.84Å
120	G	90.6	Very high	94.8	Very high	75 Å²	75	38.7 Å²	38.7	77%	0.773	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.3	4.2	178.9	0	0	0	0	0	115.4	I118	I118-G120 PolarHBondContact O-N 3.15Å
121	F	91.8	Very high	94.6	Very high	58 Å²	58	39.4 Å²	39.4	25%	0.254	23%	0.228	S	C	.	.	B	Isolated β-bridge	trans	-134.1	142.6	179.1	-60	-86.6	0	0	0	111	I118 H142 V143	I118-F121 HydrophobicContact CB-CB 4.22Å; I118-F121 HydrophobicContact CB-CD2 4.49Å; I118-F121 HydrophobicContact CG2-CB 4.26Å; I118-F121 HydrophobicContact CG2-CD2 3.65Å; I118-F121 HydrophobicContact CG2-CE2 4.47Å; I118-F121 HydrophobicContact CG2-CG 4.35Å; I118-F121 PolarHBondContact O-N 2.67Å; F121-H142 WeakPolarHBondContact CD1-O 3.2Å; F121-V143 HydrophobicContact CB-CG1 4.39Å; F121-V143 HydrophobicContact CD1-CB 4.47Å; F121-V143 HydrophobicContact CD1-CG1 4.01Å; F121-V143 HydrophobicContact CD2-CG1 4.03Å; F121-V143 HydrophobicContact CE1-CB 4.28Å; F121-V143 HydrophobicContact CE1-CG1 4.26Å; F121-V143 HydrophobicContact CE2-CG1 4.26Å; F121-V143 HydrophobicContact CG-CG1 3.87Å; F121-V143 HydrophobicContact CZ-CB 4.34Å; F121-V143 HydrophobicContact CZ-CG1 4.37Å
122	V	91.8	Very high	94.1	Very high	102 Å²	102	41.4 Å²	41.4	62%	0.618	25%	0.253	S	S	*	.			trans	-108	151.7	167.7	-64.7	0	0	0	0	108.7	S124	V122-S124 PolarHBondContact O-N 2.71Å
123	P	93.7	Very high	93.8	Very high	16 Å²	16	46.1 Å²	46.1	10%	0.104	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	138.4	170.1	-15.6	25.5	0	0	0	110.6	D99 E100 W139 T140 F141	D99-P123 VanDerWaalsContact O-CB 3.26Å; D99-P123 WeakPolarHBondContact O-CB 3.4Å; D99-P123 VanDerWaalsContact O-CG 3.28Å; D99-P123 WeakPolarHBondContact O-CG 3.26Å; E100-P123 VanDerWaalsContact C-CG 3.43Å; E100-P123 WeakPolarHBondContact O-CD 3.21Å; P123-W139 HydrophobicContact CB-CB 4.29Å; P123-W139 HydrophobicContact CB-CG 4.47Å; P123-W139 HydrophobicContact CG-CG 4.45Å; P123-T140 CarbonylContact C-O 3.56Å; P123-T140 WeakPolarHBondContact CA-O 3.08Å; P123-F141 HydrophobicContact CB-CD1 4.27Å; P123-F141 HydrophobicContact CB-CE1 4.19Å; P123-F141 HydrophobicContact CB-CZ 4.34Å; P123-F141 HydrophobicContact CG-CD1 3.98Å; P123-F141 HydrophobicContact CG-CE1 3.45Å; P123-F141 VanDerWaalsContact CG-CE1 3.45Å; P123-F141 HydrophobicContact CG-CE2 4.3Å; P123-F141 HydrophobicContact CG-CZ 3.62Å
124	S	94.8	Very high	93.6	Very high	51 Å²	51	47.2 Å²	47.2	36%	0.357	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	-26.5	173.9	56.9	0	0	0	0	112.6	V122 T140 H142	V122-S124 PolarHBondContact O-N 2.71Å; S124-T140 PolarHBondContact N-O 2.97Å; S124-T140 PolarHBondContact OG-O 3.3Å; S124-H142 WeakPolarHBondContact CB-CD2 3.27Å; S124-H142 PolarHBondContact OG-CD2 3.47Å
125	E	96.3	Very high	93.5	Very high	82 Å²	82	47.2 Å²	47.2	38%	0.383	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	137.4	179	-59.8	-174.4	162.2	0	0	110.7	H127 W139 T140	E125-H127 IonicContact OE2-CE1 3.26Å; E125-W139 WeakPolarHBondContact O-CA 3.41Å; E125-T140 PolarHBondContact N-O 3.34Å; E125-T140 PolarHBondContact O-N 3.15Å
126	C	97.7	Very high	93.5	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.007	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	132.7	168	-177.8	0	0	0	0	109.1	K72 L73 D99 K138 W139	K72-C126 WeakPolarHBondContact CA-O 3.3Å; L73-C126 HydrophobicContact CB-CB 4.25Å; L73-C126 HydrophobicContact CD2-CB 4.44Å; L73-C126 PolarHBondContact N-O 3.15Å; D99-C126 HydrophobicContact CB-CB 3.74Å; C126-K138 CarbonylContact C-O 3.52Å; C126-K138 VanDerWaalsContact CA-O 3.32Å; C126-K138 WeakPolarHBondContact CA-O 3.2Å; C126-W139 PolarHBondContact SG-NE1 3.45Å
127	H	97.1	Very high	93.6	Very high	56 Å²	56	45.5 Å²	45.5	26%	0.259	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	135.9	171.8	-64.9	82.6	0	0	0	110.2	F70 Q71 E125 L137 K138	F70-H127 HydrophobicContact CB-CB 4.18Å; F70-H127 HydrophobicContact CD1-CB 3.98Å; Q71-H127 CarbonylContact O-C 3.55Å; Q71-H127 VanDerWaalsContact O-CA 3.25Å; Q71-H127 WeakPolarHBondContact O-CA 3.44Å; E125-H127 IonicContact OE2-CE1 3.26Å; H127-L137 CarbonylContact O-C 3.54Å; H127-L137 WeakPolarHBondContact O-CA 3.28Å; H127-K138 HydrophobicContact CB-CB 4.38Å; H127-K138 PolarHBondContact N-O 2.83Å; H127-K138 PolarHBondContact O-N 2.77Å
128	I	96.6	Very high	93.8	Very high	19 Å²	19	44.7 Å²	44.7	10%	0.097	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	144.2	-179.4	-170	171.4	0	0	0	110.7	F70 Q71 L73 M97 I130 L135 A136 L137	F70-I128 WeakPolarHBondContact CA-O 3.46Å; Q71-I128 PolarHBondContact N-O 3.32Å; Q71-I128 PolarHBondContact O-N 3.36Å; L73-I128 HydrophobicContact CB-CB 4.39Å; L73-I128 HydrophobicContact CB-CG2 4.06Å; L73-I128 HydrophobicContact CD1-CB 4Å; L73-I128 HydrophobicContact CD1-CD1 3.87Å; L73-I128 HydrophobicContact CD1-CG2 4.06Å; M97-I128 HydrophobicContact CE-CD1 4.01Å; M97-I128 HydrophobicContact SD-CD1 3.65Å; I128-I130 HydrophobicContact CD1-CD1 4.02Å; I128-I130 HydrophobicContact CD1-CG1 4.13Å; I128-I130 HydrophobicContact CG1-CG1 4.15Å; I128-L135 HydrophobicContact CD1-CD1 3.84Å; I128-L135 HydrophobicContact CG1-CD1 3.82Å; I128-A136 CarbonylContact C-O 3.57Å; I128-A136 WeakPolarHBondContact CA-O 3.01Å; I128-L137 HydrophobicContact CB-CD2 3.81Å; I128-L137 HydrophobicContact CD1-CD2 4.04Å; I128-L137 HydrophobicContact CG1-CD2 3.8Å; I128-L137 HydrophobicContact CG1-CG 4.37Å
129	S	95.7	Very high	94	Very high	5 Å²	5	44.7 Å²	44.7	4%	0.035	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	130	167.6	-176.2	0	0	0	0	108.7	A136	S129-A136 PolarHBondContact N-O 2.85Å; S129-A136 PolarHBondContact O-N 3.14Å
130	I	93.3	Very high	94.4	Very high	66 Å²	66	42.4 Å²	42.4	34%	0.338	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	100	175.2	-52.9	-179.3	0	0	0	106.2	W79 I128 L135	W79-I130 HydrophobicContact CB-CD1 4.21Å; W79-I130 HydrophobicContact CD2-CD1 4.2Å; W79-I130 HydrophobicContact CG-CD1 3.74Å; W79-I130 HydrophobicContact CZ2-CG2 4.26Å; I128-I130 HydrophobicContact CD1-CD1 4.02Å; I128-I130 HydrophobicContact CD1-CG1 4.13Å; I128-I130 HydrophobicContact CG1-CG1 4.15Å; I130-L135 HydrophobicContact CD1-CD1 4.29Å; I130-L135 HydrophobicContact CG1-CD1 3.77Å
131	E	90.4	Very high	94.6	Very high	80 Å²	80	38.9 Å²	38.9	37%	0.374	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	125.8	-176.8	-70.8	-162.3	-171.7	0	0	111.7	G68 T69 N133 L134	G68-E131 WeakPolarHBondContact CA-OE1 3.3Å; G68-E131 WeakPolarHBondContact CA-OE2 3.32Å; T69-E131 PolarHBondContact N-OE1 2.97Å; E131-N133 PolarHBondContact O-N 3.11Å; E131-N133 VanDerWaalsContact O-N 3.09Å; E131-L134 PolarHBondContact N-O 3.48Å; E131-L134 PolarHBondContact O-N 2.82Å
132	G	87.1	Confident	94.7	Very high	61 Å²	61	41.7 Å²	41.7	63%	0.629	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	-116.4	-175.2	0	0	0	0	0	110.9
133	N	89.8	Confident	94.7	Very high	100 Å²	100	37.4 Å²	37.4	54%	0.535	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	25.7	-173.4	-72.1	-12.9	0	0	0	113.1	E131 S156	E131-N133 PolarHBondContact O-N 3.11Å; E131-N133 VanDerWaalsContact O-N 3.09Å; N133-S156 WeakPolarHBondContact CB-OG 3.41Å; N133-S156 PolarHBondContact O-N 2.83Å
134	L	94	Very high	94.5	Very high	31 Å²	31	41.4 Å²	41.4	16%	0.162	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	125.9	-172.9	179	65.8	0	0	0	111.5	V66 E131 L153	V66-L134 HydrophobicContact CG1-CD2 4.01Å; E131-L134 PolarHBondContact N-O 3.48Å; E131-L134 PolarHBondContact O-N 2.82Å; L134-L153 HydrophobicContact CD1-CB 4.02Å; L134-L153 HydrophobicContact CD1-CD2 4.41Å
135	L	95.2	Very high	94.2	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	128.8	161.3	164.4	65.5	0	0	0	108.6	W79 V95 M97 I128 I130 L137 L153 I154	W79-L135 HydrophobicContact CE3-CD2 3.7Å; W79-L135 HydrophobicContact CH2-CB 4.15Å; W79-L135 HydrophobicContact CZ3-CB 3.99Å; W79-L135 HydrophobicContact CZ3-CD2 3.64Å; W79-L135 HydrophobicContact CZ3-CG 4.4Å; V95-L135 HydrophobicContact CG1-CD2 4.42Å; M97-L135 HydrophobicContact SD-CD1 3.72Å; M97-L135 HydrophobicContact SD-CD2 3.58Å; M97-L135 VanDerWaalsContact SD-CD2 3.58Å; M97-L135 HydrophobicContact SD-CG 4.28Å; I128-L135 HydrophobicContact CD1-CD1 3.84Å; I128-L135 HydrophobicContact CG1-CD1 3.82Å; I130-L135 HydrophobicContact CD1-CD1 4.29Å; I130-L135 HydrophobicContact CG1-CD1 3.77Å; L135-L137 HydrophobicContact CD1-CD1 4.44Å; L135-L137 HydrophobicContact CD1-CG 4.32Å; L135-L137 HydrophobicContact CD2-CD1 4.45Å; L135-L153 CarbonylContact O-C 3.5Å; L135-L153 WeakPolarHBondContact O-CA 3.33Å; L135-I154 HydrophobicContact CB-CB 4.27Å; L135-I154 HydrophobicContact CD2-CB 4.46Å; L135-I154 HydrophobicContact CD2-CD1 3.74Å; L135-I154 HydrophobicContact CG-CD1 4.49Å; L135-I154 PolarHBondContact N-O 3.09Å; L135-I154 PolarHBondContact O-N 3.44Å
136	A	96.7	Very high	94	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	131.1	175.4	0	0	0	0	0	111	V66 F70 I128 S129 T152 L153	V66-A136 HydrophobicContact CG1-CB 3.82Å; V66-A136 HydrophobicContact CG2-CB 4.3Å; F70-A136 HydrophobicContact CE1-CB 3.96Å; F70-A136 HydrophobicContact CZ-CB 3.95Å; I128-A136 CarbonylContact C-O 3.57Å; I128-A136 WeakPolarHBondContact CA-O 3.01Å; S129-A136 PolarHBondContact N-O 2.85Å; S129-A136 PolarHBondContact O-N 3.14Å; A136-T152 CarbonylContact C-O 3.57Å; A136-T152 WeakPolarHBondContact CA-O 3.29Å; A136-L153 HydrophobicContact CB-CD2 3.53Å
137	L	97.4	Very high	93.9	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	137.8	175.6	-74.1	153.3	0	0	0	109.7	L73 M97 I103 H127 I128 L135 W139 T151 T152	L73-L137 HydrophobicContact CD1-CD2 4.18Å; M97-L137 HydrophobicContact CB-CD1 4.21Å; M97-L137 HydrophobicContact CB-CD2 4.43Å; M97-L137 HydrophobicContact CG-CD1 3.69Å; M97-L137 HydrophobicContact SD-CD1 3.77Å; M97-L137 HydrophobicContact SD-CD2 4.37Å; M97-L137 HydrophobicContact SD-CG 4.43Å; I103-L137 HydrophobicContact CD1-CD1 3.69Å; I103-L137 HydrophobicContact CG1-CD1 3.79Å; H127-L137 CarbonylContact O-C 3.54Å; H127-L137 WeakPolarHBondContact O-CA 3.28Å; I128-L137 HydrophobicContact CB-CD2 3.81Å; I128-L137 HydrophobicContact CD1-CD2 4.04Å; I128-L137 HydrophobicContact CG1-CD2 3.8Å; I128-L137 HydrophobicContact CG1-CG 4.37Å; L135-L137 HydrophobicContact CD1-CD1 4.44Å; L135-L137 HydrophobicContact CD1-CG 4.32Å; L135-L137 HydrophobicContact CD2-CD1 4.45Å; L137-W139 HydrophobicContact CB-CE3 4.13Å; L137-W139 HydrophobicContact CB-CH2 3.37Å; L137-W139 HydrophobicContact CB-CZ2 3.85Å; L137-W139 HydrophobicContact CB-CZ3 3.5Å; L137-W139 HydrophobicContact CD1-CH2 3.58Å; L137-W139 HydrophobicContact CD1-CZ2 3.9Å; L137-W139 HydrophobicContact CD1-CZ3 4.48Å; L137-W139 HydrophobicContact CD2-CH2 4.5Å; L137-W139 HydrophobicContact CD2-CZ2 4.22Å; L137-W139 HydrophobicContact CG-CH2 3.99Å; L137-W139 HydrophobicContact CG-CZ2 4.21Å; L137-T151 CarbonylContact O-C 3.59Å; L137-T151 VanDerWaalsContact O-CA 3.27Å; L137-T151 WeakPolarHBondContact O-CA 3.17Å; L137-T152 PolarHBondContact N-O 2.97Å; L137-T152 PolarHBondContact O-N 3.47Å
138	K	97.1	Very high	93.9	Very high	69 Å²	69	41.5 Å²	41.5	30%	0.3	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	116.3	177.4	-63	-175.8	170.6	170	0	109.4	F70 C126 H127 T150 T151	F70-K138 HydrophobicContact CD1-CD 4.16Å; F70-K138 HydrophobicContact CD1-CG 4.41Å; F70-K138 HydrophobicContact CE1-CD 3.74Å; F70-K138 HydrophobicContact CE1-CG 3.84Å; F70-K138 HydrophobicContact CZ-CD 3.99Å; F70-K138 VanDerWaalsContact CZ-CE 3.43Å; F70-K138 HydrophobicContact CZ-CG 4.41Å; C126-K138 CarbonylContact C-O 3.52Å; C126-K138 VanDerWaalsContact CA-O 3.32Å; C126-K138 WeakPolarHBondContact CA-O 3.2Å; H127-K138 HydrophobicContact CB-CB 4.38Å; H127-K138 PolarHBondContact N-O 2.83Å; H127-K138 PolarHBondContact O-N 2.77Å; K138-T150 CarbonylContact C-O 3.35Å; K138-T150 WeakPolarHBondContact CA-O 3.23Å; K138-T151 HydrophobicContact CG-CG2 4.07Å
139	W	97.4	Very high	93.9	Very high	1 Å²	1	44.7 Å²	44.7	0%	0.004	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	138	173.6	-64.5	-90.8	0	0	0	110.8	T98 I103 H116 P123 E125 C126 L137 F141 K149 T150 T152	T98-W139 PolarHBondContact O-NE1 3.4Å; I103-W139 HydrophobicContact CD1-CH2 3.78Å; I103-W139 HydrophobicContact CG1-CH2 3.88Å; I103-W139 HydrophobicContact CG1-CZ2 4.25Å; H116-W139 AromaticContact CD2-CZ3 3.71Å; H116-W139 AromaticContact NE2-CZ3 3.65Å; P123-W139 HydrophobicContact CB-CB 4.29Å; P123-W139 HydrophobicContact CB-CG 4.47Å; P123-W139 HydrophobicContact CG-CG 4.45Å; E125-W139 WeakPolarHBondContact O-CA 3.41Å; C126-W139 PolarHBondContact SG-NE1 3.45Å; L137-W139 HydrophobicContact CB-CE3 4.13Å; L137-W139 HydrophobicContact CB-CH2 3.37Å; L137-W139 HydrophobicContact CB-CZ2 3.85Å; L137-W139 HydrophobicContact CB-CZ3 3.5Å; L137-W139 HydrophobicContact CD1-CH2 3.58Å; L137-W139 HydrophobicContact CD1-CZ2 3.9Å; L137-W139 HydrophobicContact CD1-CZ3 4.48Å; L137-W139 HydrophobicContact CD2-CH2 4.5Å; L137-W139 HydrophobicContact CD2-CZ2 4.22Å; L137-W139 HydrophobicContact CG-CH2 3.99Å; L137-W139 HydrophobicContact CG-CZ2 4.21Å; W139-F141 HydrophobicContact CB-CD2 4.47Å; W139-F141 HydrophobicContact CB-CE2 3.83Å; W139-F141 HydrophobicContact CB-CZ 4.45Å; W139-K149 WeakPolarHBondContact O-CA 3.47Å; W139-T150 HydrophobicContact CB-CG2 4.08Å; W139-T150 HydrophobicContact CE3-CG2 4.18Å; W139-T150 PolarHBondContact N-O 3.28Å; W139-T150 PolarHBondContact O-N 2.97Å; W139-T152 WeakPolarHBondContact CZ3-OG1 3.25Å
140	T	97.3	Very high	93.9	Very high	16 Å²	16	44.4 Å²	44.4	10%	0.098	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128.1	167.8	-61.5	0	0	0	0	108.3	P123 S124 E125 T147 F148 K149	P123-T140 CarbonylContact C-O 3.56Å; P123-T140 WeakPolarHBondContact CA-O 3.08Å; S124-T140 PolarHBondContact N-O 2.97Å; S124-T140 PolarHBondContact OG-O 3.3Å; E125-T140 PolarHBondContact N-O 3.34Å; E125-T140 PolarHBondContact O-N 3.15Å; T140-T147 HydrophobicContact CG2-CG2 4.19Å; T140-F148 CarbonylContact C-O 3.57Å; T140-F148 WeakPolarHBondContact CA-O 3.24Å; T140-K149 HydrophobicContact CG2-CG 4.03Å
141	F	95.9	Very high	94.1	Very high	1 Å²	1	41.4 Å²	41.4	0%	0.004	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	130.9	170.8	-55	-110.2	0	0	0	108.1	H116 I118 P123 W139 V143 T147 F148 T150	H116-F141 HydrophobicContact CB-CZ 4.17Å; H116-F141 WeakPolarHBondContact O-CZ 3.19Å; I118-F141 HydrophobicContact CB-CD1 4.45Å; I118-F141 HydrophobicContact CD1-CB 3.96Å; I118-F141 HydrophobicContact CD1-CD1 3.8Å; I118-F141 HydrophobicContact CD1-CD2 4.04Å; I118-F141 HydrophobicContact CD1-CE1 4.25Å; I118-F141 HydrophobicContact CD1-CG 3.68Å; I118-F141 HydrophobicContact CG1-CD1 4.13Å; I118-F141 HydrophobicContact CG1-CE1 4.18Å; I118-F141 HydrophobicContact CG1-CG 4.47Å; P123-F141 HydrophobicContact CB-CD1 4.27Å; P123-F141 HydrophobicContact CB-CE1 4.19Å; P123-F141 HydrophobicContact CB-CZ 4.34Å; P123-F141 HydrophobicContact CG-CD1 3.98Å; P123-F141 HydrophobicContact CG-CE1 3.45Å; P123-F141 VanDerWaalsContact CG-CE1 3.45Å; P123-F141 HydrophobicContact CG-CE2 4.3Å; P123-F141 HydrophobicContact CG-CZ 3.62Å; W139-F141 HydrophobicContact CB-CD2 4.47Å; W139-F141 HydrophobicContact CB-CE2 3.83Å; W139-F141 HydrophobicContact CB-CZ 4.45Å; F141-V143 HydrophobicContact CB-CG1 4.21Å; F141-T147 CarbonylContact O-C 3.58Å; F141-T147 VanDerWaalsContact O-CA 3.31Å; F141-T147 WeakPolarHBondContact O-CA 3.4Å; F141-F148 HydrophobicContact CB-CB 4.18Å; F141-F148 HydrophobicContact CD2-CB 4.43Å; F141-F148 AromaticContact CD2-CD1 3.93Å; F141-F148 HydrophobicContact CD2-CD1 3.93Å; F141-F148 HydrophobicContact CE2-CD1 4.31Å; F141-F148 PolarHBondContact N-O 3.17Å; F141-F148 PolarHBondContact O-N 3.32Å; F141-T150 HydrophobicContact CE2-CG2 4.17Å
142	H	94.1	Very high	94.5	Very high	116 Å²	116	37.6 Å²	37.6	54%	0.537	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	111	165.6	-79.5	-64.2	0	0	0	109	F121 S124	F121-H142 WeakPolarHBondContact CD1-O 3.2Å; S124-H142 WeakPolarHBondContact CB-CD2 3.27Å; S124-H142 PolarHBondContact OG-CD2 3.47Å
143	V	91.5	Very high	94.9	Very high	12 Å²	12	35 Å²	35	7%	0.073	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	162.6	-178.7	-71.7	0	0	0	0	109.1	I118 F121 F141 E145 G146 F148 P168 Y171	I118-V143 HydrophobicContact CD1-CG1 4.13Å; F121-V143 HydrophobicContact CB-CG1 4.39Å; F121-V143 HydrophobicContact CD1-CB 4.47Å; F121-V143 HydrophobicContact CD1-CG1 4.01Å; F121-V143 HydrophobicContact CD2-CG1 4.03Å; F121-V143 HydrophobicContact CE1-CB 4.28Å; F121-V143 HydrophobicContact CE1-CG1 4.26Å; F121-V143 HydrophobicContact CE2-CG1 4.26Å; F121-V143 HydrophobicContact CG-CG1 3.87Å; F121-V143 HydrophobicContact CZ-CB 4.34Å; F121-V143 HydrophobicContact CZ-CG1 4.37Å; F141-V143 HydrophobicContact CB-CG1 4.21Å; V143-E145 PolarHBondContact O-N 2.9Å; V143-E145 VanDerWaalsContact O-N 3.1Å; V143-G146 WeakPolarHBondContact CG2-O 3.15Å; V143-G146 PolarHBondContact N-O 3.11Å; V143-G146 PolarHBondContact O-N 2.85Å; V143-G146 VanDerWaalsContact O-N 3.08Å; V143-F148 HydrophobicContact CG2-CB 4.32Å; V143-P168 HydrophobicContact CG2-CG 3.93Å; V143-Y171 HydrophobicContact CB-CE1 3.67Å; V143-Y171 HydrophobicContact CG1-CE1 3.85Å; V143-Y171 HydrophobicContact CG2-CE1 3.62Å; V143-Y171 WeakPolarHBondContact CG2-OH 3.34Å
144	S	88.8	Confident	95.3	Very high	100 Å²	100	30.3 Å²	30.3	70%	0.699	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-33.9	-173.2	-58	0	0	0	0	113.6
145	E	89	Confident	95.3	Very high	124 Å²	124	31 Å²	31	58%	0.579	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.9	7.1	-175.5	-46.2	68.9	-167.3	0	0	113.1	V143 P168 Y171	V143-E145 PolarHBondContact O-N 2.9Å; V143-E145 VanDerWaalsContact O-N 3.1Å; E145-P168 HydrophobicContact CB-CB 4.27Å; E145-Y171 VanDerWaalsContact CB-OH 3.24Å; E145-Y171 WeakPolarHBondContact CB-OH 3.33Å; E145-Y171 PolarHBondContact OE2-OH 2.76Å
146	G	92.5	Very high	95.2	Very high	34 Å²	34	32.4 Å²	32.4	35%	0.351	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	143.5	-132.3	174	0	0	0	0	0	114.2	V143	V143-G146 WeakPolarHBondContact CG2-O 3.15Å; V143-G146 PolarHBondContact N-O 3.11Å; V143-G146 PolarHBondContact O-N 2.85Å; V143-G146 VanDerWaalsContact O-N 3.08Å
147	T	95.3	Very high	94.9	Very high	35 Å²	35	37.8 Å²	37.8	22%	0.215	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	129	177	53.9	0	0	0	0	110.2	T140 F141 N166 P168	T140-T147 HydrophobicContact CG2-CG2 4.19Å; F141-T147 CarbonylContact O-C 3.58Å; F141-T147 VanDerWaalsContact O-CA 3.31Å; F141-T147 WeakPolarHBondContact O-CA 3.4Å; T147-N166 PolarHBondContact O-ND2 2.8Å; T147-P168 WeakPolarHBondContact O-CD 3.04Å; T147-P168 WeakPolarHBondContact O-CG 3Å
148	F	96.4	Very high	94.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	125.1	165.7	-172.9	-75.3	0	0	0	107.6	I118 T140 F141 V143 T150 Y164 N166 V167 Y171 Y174 V201	I118-F148 HydrophobicContact CD1-CB 3.89Å; I118-F148 HydrophobicContact CD1-CD1 4.01Å; I118-F148 HydrophobicContact CD1-CD2 4.16Å; I118-F148 HydrophobicContact CD1-CG 3.77Å; T140-F148 CarbonylContact C-O 3.57Å; T140-F148 WeakPolarHBondContact CA-O 3.24Å; F141-F148 HydrophobicContact CB-CB 4.18Å; F141-F148 HydrophobicContact CD2-CB 4.43Å; F141-F148 AromaticContact CD2-CD1 3.93Å; F141-F148 HydrophobicContact CD2-CD1 3.93Å; F141-F148 HydrophobicContact CE2-CD1 4.31Å; F141-F148 PolarHBondContact N-O 3.17Å; F141-F148 PolarHBondContact O-N 3.32Å; V143-F148 HydrophobicContact CG2-CB 4.32Å; F148-T150 HydrophobicContact CE1-CG2 4.3Å; F148-Y164 HydrophobicContact CZ-CD1 4.15Å; F148-Y164 HydrophobicContact CZ-CE1 4.49Å; F148-N166 CarbonylContact C-O 3.52Å; F148-N166 VanDerWaalsContact CA-O 3.3Å; F148-N166 WeakPolarHBondContact CA-O 3.36Å; F148-V167 HydrophobicContact CD2-CB 4.26Å; F148-V167 HydrophobicContact CD2-CG1 3.87Å; F148-V167 HydrophobicContact CD2-CG2 4.1Å; F148-V167 HydrophobicContact CE2-CB 4.12Å; F148-V167 HydrophobicContact CE2-CG1 3.64Å; F148-V167 HydrophobicContact CE2-CG2 3.62Å; F148-V167 HydrophobicContact CZ-CG2 4.03Å; F148-Y171 HydrophobicContact CD2-CD1 4.43Å; F148-Y171 HydrophobicContact CD2-CG 4.2Å; F148-Y174 HydrophobicContact CD1-CD2 4.45Å; F148-Y174 AromaticContact CE1-CD2 3.64Å; F148-Y174 HydrophobicContact CE1-CD2 3.64Å; F148-Y174 AromaticContact CE1-CE2 3.64Å; F148-Y174 HydrophobicContact CE1-CE2 3.64Å; F148-Y174 HydrophobicContact CE1-CG 4.22Å; F148-Y174 HydrophobicContact CE2-CD1 4.43Å; F148-Y174 HydrophobicContact CE2-CD2 4.08Å; F148-Y174 AromaticContact CE2-CG 3.9Å; F148-Y174 HydrophobicContact CE2-CG 3.9Å; F148-Y174 AromaticContact CZ-CD1 3.86Å; F148-Y174 HydrophobicContact CZ-CD1 3.86Å; F148-Y174 AromaticContact CZ-CD2 3.43Å; F148-Y174 HydrophobicContact CZ-CD2 3.43Å; F148-Y174 VanDerWaalsContact CZ-CD2 3.43Å; F148-Y174 HydrophobicContact CZ-CE1 4.08Å; F148-Y174 AromaticContact CZ-CE2 3.72Å; F148-Y174 HydrophobicContact CZ-CE2 3.72Å; F148-Y174 AromaticContact CZ-CG 3.51Å; F148-Y174 HydrophobicContact CZ-CG 3.51Å; F148-V201 HydrophobicContact CE2-CG1 3.85Å; F148-V201 HydrophobicContact CZ-CG1 4.02Å
149	K	96.8	Very high	94.5	Very high	85 Å²	85	36.3 Å²	36.3	37%	0.37	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	131.1	-177.7	-63.2	-174.3	178.9	-175.9	0	109.8	W139 T140 Y164 D165 N166	W139-K149 WeakPolarHBondContact O-CA 3.47Å; T140-K149 HydrophobicContact CG2-CG 4.03Å; K149-Y164 CarbonylContact O-C 3.56Å; K149-D165 HydrophobicContact CB-CB 3.75Å; K149-D165 PolarHBondContact O-N 2.85Å; K149-N166 HydrophobicContact CB-CB 4.06Å; K149-N166 HydrophobicContact CD-CB 4.41Å; K149-N166 HydrophobicContact CG-CB 4.28Å; K149-N166 PolarHBondContact N-O 3.03Å; K149-N166 PolarHBondContact O-N 2.91Å
150	T	96.7	Very high	94.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	141.8	179.8	-176.3	0	0	0	0	110.5	H116 K138 W139 F141 F148 Y163 D165	H116-T150 WeakPolarHBondContact ND1-CG2 3.4Å; K138-T150 CarbonylContact C-O 3.35Å; K138-T150 WeakPolarHBondContact CA-O 3.23Å; W139-T150 HydrophobicContact CB-CG2 4.08Å; W139-T150 HydrophobicContact CE3-CG2 4.18Å; W139-T150 PolarHBondContact N-O 3.28Å; W139-T150 PolarHBondContact O-N 2.97Å; F141-T150 HydrophobicContact CE2-CG2 4.17Å; F148-T150 HydrophobicContact CE1-CG2 4.3Å; T150-Y163 CarbonylContact C-O 3.48Å; T150-Y163 WeakPolarHBondContact CA-O 3.41Å; T150-Y163 PolarHBondContact OG1-O 3Å; T150-D165 WeakPolarHBondContact CA-OD2 3.33Å
151	T	97.4	Very high	94.5	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.012	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131.3	174.5	-62.1	0	0	0	0	109.3	L137 K138 L153 F162 Y163 D165	L137-T151 CarbonylContact O-C 3.59Å; L137-T151 VanDerWaalsContact O-CA 3.27Å; L137-T151 WeakPolarHBondContact O-CA 3.17Å; K138-T151 HydrophobicContact CG-CG2 4.07Å; T151-L153 HydrophobicContact CG2-CD2 3.76Å; T151-L153 HydrophobicContact CG2-CG 4.17Å; T151-F162 CarbonylContact O-C 3.5Å; T151-F162 WeakPolarHBondContact O-CA 3.26Å; T151-Y163 PolarHBondContact N-O 3.23Å; T151-Y163 PolarHBondContact O-N 2.78Å; T151-D165 WeakPolarHBondContact CB-OD2 3.45Å; T151-D165 PolarHBondContact N-OD2 2.82Å; T151-D165 VanDerWaalsContact OG1-CG 3.31Å; T151-D165 PolarHBondContact OG1-OD1 2.91Å; T151-D165 PolarHBondContact OG1-OD2 3.3Å
152	T	97.8	Very high	94.6	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	132.3	172.6	-64.1	0	0	0	0	109.7	I103 H116 A136 L137 W139 I154 S161 F162	I103-T152 HydrophobicContact CD1-CG2 3.87Å; H116-T152 PolarHBondContact CE1-OG1 2.84Å; H116-T152 PolarHBondContact NE2-OG1 2.83Å; A136-T152 CarbonylContact C-O 3.57Å; A136-T152 WeakPolarHBondContact CA-O 3.29Å; L137-T152 PolarHBondContact N-O 2.97Å; L137-T152 PolarHBondContact O-N 3.47Å; W139-T152 WeakPolarHBondContact CZ3-OG1 3.25Å; T152-I154 HydrophobicContact CG2-CG1 4.45Å; T152-S161 CarbonylContact C-O 3.56Å; T152-S161 WeakPolarHBondContact CA-O 3.27Å; T152-F162 HydrophobicContact CG2-CD1 3.9Å; T152-F162 HydrophobicContact CG2-CE1 3.55Å; T152-F162 VanDerWaalsContact OG1-CD1 3.26Å; T152-F162 WeakPolarHBondContact OG1-CD1 3.45Å
153	L	96.9	Very high	94.7	Very high	6 Å²	6	31.2 Å²	31.2	3%	0.031	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	125	-179.1	-57.5	-176.4	0	0	0	109.2	P64 V66 L134 L135 A136 T151 I160 S161	P64-L153 HydrophobicContact CB-CD1 3.64Å; P64-L153 HydrophobicContact CG-CD1 3.69Å; V66-L153 HydrophobicContact CG2-CD1 4.33Å; V66-L153 HydrophobicContact CG2-CD2 3.54Å; L134-L153 HydrophobicContact CD1-CB 4.02Å; L134-L153 HydrophobicContact CD1-CD2 4.41Å; L135-L153 CarbonylContact O-C 3.5Å; L135-L153 WeakPolarHBondContact O-CA 3.33Å; A136-L153 HydrophobicContact CB-CD2 3.53Å; T151-L153 HydrophobicContact CG2-CD2 3.76Å; T151-L153 HydrophobicContact CG2-CG 4.17Å; L153-I160 CarbonylContact O-C 3.6Å; L153-I160 VanDerWaalsContact O-CA 3.28Å; L153-I160 WeakPolarHBondContact O-CA 3.46Å; L153-S161 PolarHBondContact N-O 3.26Å; L153-S161 PolarHBondContact O-N 3.13Å
154	I	96.6	Very high	95	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	111.6	174.2	-63.1	160.9	0	0	0	107.7	L85 I103 M105 I114 L135 T152 I160	L85-I154 HydrophobicContact CD1-CG2 3.87Å; L85-I154 HydrophobicContact CD2-CG2 3.99Å; I103-I154 HydrophobicContact CD1-CD1 4.09Å; I103-I154 HydrophobicContact CG2-CD1 4.47Å; M105-I154 HydrophobicContact CE-CD1 3.61Å; I114-I154 HydrophobicContact CD1-CD1 4.39Å; L135-I154 HydrophobicContact CB-CB 4.27Å; L135-I154 HydrophobicContact CD2-CB 4.46Å; L135-I154 HydrophobicContact CD2-CD1 3.74Å; L135-I154 HydrophobicContact CG-CD1 4.49Å; L135-I154 PolarHBondContact N-O 3.09Å; L135-I154 PolarHBondContact O-N 3.44Å; T152-I154 HydrophobicContact CG2-CG1 4.45Å; I154-I160 HydrophobicContact CG1-CG1 4.33Å; I154-I160 HydrophobicContact CG1-CG2 4.38Å
155	H	94.3	Very high	95.4	Very high	45 Å²	45	28.2 Å²	28.2	21%	0.208	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	150.9	-178.8	-63.5	-99	0	0	0	110.9	N157 G158 K159	H155-N157 WeakPolarHBondContact CB-OD1 3.39Å; H155-N157 PolarHBondContact O-N 2.82Å; H155-N157 VanDerWaalsContact O-N 3.09Å; H155-G158 PolarHBondContact O-N 2.81Å; H155-K159 HydrophobicContact CB-CB 4.07Å; H155-K159 WeakPolarHBondContact CB-O 3.31Å; H155-K159 VanDerWaalsContact CD2-CE 3.44Å; H155-K159 WeakPolarHBondContact CD2-CE 3.42Å; H155-K159 PolarHBondContact CD2-O 3.21Å; H155-K159 PolarHBondContact N-O 2.7Å; H155-K159 VanDerWaalsContact NE2-CE 3.26Å; H155-K159 WeakPolarHBondContact NE2-CE 3.47Å
156	S	92.8	Very high	95.7	Very high	32 Å²	32	25.2 Å²	25.2	22%	0.224	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-21.3	178.6	71.2	0	0	0	0	115.3	F83 N133 G158	F83-S156 VanDerWaalsContact CE2-CB 3.4Å; N133-S156 WeakPolarHBondContact CB-OG 3.41Å; N133-S156 PolarHBondContact O-N 2.83Å; S156-G158 PolarHBondContact O-N 2.79Å
157	N	90.8	Very high	95.9	Very high	113 Å²	113	24.3 Å²	24.3	60%	0.604	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	8.5	175.4	68.6	-6.9	0	0	0	113.4	H155 K159	H155-N157 WeakPolarHBondContact CB-OD1 3.39Å; H155-N157 PolarHBondContact O-N 2.82Å; H155-N157 VanDerWaalsContact O-N 3.09Å; N157-K159 VanDerWaalsContact C-N 3.29Å; N157-K159 PolarHBondContact O-N 3.31Å; N157-K159 VanDerWaalsContact OD1-CB 3.23Å; N157-K159 WeakPolarHBondContact OD1-CB 3.27Å; N157-K159 PolarHBondContact OD1-N 2.88Å
158	G	92.6	Very high	95.8	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.01	12%	0.122	C	C	.	.	S	Bend	trans	80.4	1.5	-177.4	0	0	0	0	0	114.4	H155 S156 I160	H155-G158 PolarHBondContact O-N 2.81Å; S156-G158 PolarHBondContact O-N 2.79Å; G158-I160 PolarHBondContact O-N 2.98Å
159	K	94.1	Very high	95.1	Very high	38 Å²	38	35.3 Å²	35.3	17%	0.165	17%	0.166	C	C	.	.			trans	-67.2	132.6	171.3	-168.4	-176.5	82.7	156	0	109.3	H155 N157 S161 E208 Y209	H155-K159 HydrophobicContact CB-CB 4.07Å; H155-K159 WeakPolarHBondContact CB-O 3.31Å; H155-K159 VanDerWaalsContact CD2-CE 3.44Å; H155-K159 WeakPolarHBondContact CD2-CE 3.42Å; H155-K159 PolarHBondContact CD2-O 3.21Å; H155-K159 PolarHBondContact N-O 2.7Å; H155-K159 VanDerWaalsContact NE2-CE 3.26Å; H155-K159 WeakPolarHBondContact NE2-CE 3.47Å; N157-K159 VanDerWaalsContact C-N 3.29Å; N157-K159 PolarHBondContact O-N 3.31Å; N157-K159 VanDerWaalsContact OD1-CB 3.23Å; N157-K159 WeakPolarHBondContact OD1-CB 3.27Å; N157-K159 PolarHBondContact OD1-N 2.88Å; K159-S161 WeakPolarHBondContact CE-OG 3.25Å; K159-E208 IonicContact NZ-OE1 2.71Å; K159-E208 PolarHBondContact NZ-OE1 2.87Å; K159-Y209 VanDerWaalsContact CA-O 3.32Å; K159-Y209 WeakPolarHBondContact CA-O 3.4Å; K159-Y209 VanDerWaalsContact CG-O 3.3Å; K159-Y209 WeakPolarHBondContact CG-O 3.26Å
160	I	96.6	Very high	93.8	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.015	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	127.1	175.3	-58.3	176.1	0	0	0	108.3	F87 I114 L153 I154 G158 F162 F178 Y209	F87-I160 HydrophobicContact CD2-CD1 3.92Å; F87-I160 HydrophobicContact CE2-CD1 3.99Å; I114-I160 HydrophobicContact CD1-CD1 4.25Å; I114-I160 HydrophobicContact CD1-CG2 4.01Å; L153-I160 CarbonylContact O-C 3.6Å; L153-I160 VanDerWaalsContact O-CA 3.28Å; L153-I160 WeakPolarHBondContact O-CA 3.46Å; I154-I160 HydrophobicContact CG1-CG1 4.33Å; I154-I160 HydrophobicContact CG1-CG2 4.38Å; G158-I160 PolarHBondContact O-N 2.98Å; I160-F162 HydrophobicContact CG2-CE1 4.14Å; I160-F162 HydrophobicContact CG2-CE2 3.78Å; I160-F162 HydrophobicContact CG2-CZ 3.52Å; I160-F178 HydrophobicContact CD1-CE2 4.08Å; I160-F178 HydrophobicContact CD1-CZ 3.76Å; I160-Y209 PolarHBondContact N-O 3.01Å; I160-Y209 PolarHBondContact O-N 3.03Å
161	S	97.1	Very high	92.7	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.014	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	138.6	-179.9	-43.5	0	0	0	0	111	T152 L153 K159 V207	T152-S161 CarbonylContact C-O 3.56Å; T152-S161 WeakPolarHBondContact CA-O 3.27Å; L153-S161 PolarHBondContact N-O 3.26Å; L153-S161 PolarHBondContact O-N 3.13Å; K159-S161 WeakPolarHBondContact CE-OG 3.25Å; S161-V207 CarbonylContact C-O 3.52Å; S161-V207 VanDerWaalsContact CA-O 3.26Å; S161-V207 WeakPolarHBondContact CA-O 3.27Å
162	F	97.9	Very high	91.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.3	172.5	-51.2	-78	0	0	0	108.4	I114 H116 T151 T152 I160 L176 F178 V207 Y209	I114-F162 HydrophobicContact CD1-CE1 4.33Å; I114-F162 HydrophobicContact CD1-CZ 4.04Å; I114-F162 HydrophobicContact CG1-CZ 4.25Å; I114-F162 HydrophobicContact CG2-CE1 3.47Å; I114-F162 VanDerWaalsContact CG2-CE1 3.47Å; I114-F162 HydrophobicContact CG2-CZ 3.75Å; H116-F162 AromaticContact CE1-CD1 3.64Å; H116-F162 AromaticContact NE2-CD1 3.8Å; H116-F162 AromaticContact NE2-CE1 3.74Å; T151-F162 CarbonylContact O-C 3.5Å; T151-F162 WeakPolarHBondContact O-CA 3.26Å; T152-F162 HydrophobicContact CG2-CD1 3.9Å; T152-F162 HydrophobicContact CG2-CE1 3.55Å; T152-F162 VanDerWaalsContact OG1-CD1 3.26Å; T152-F162 WeakPolarHBondContact OG1-CD1 3.45Å; I160-F162 HydrophobicContact CG2-CE1 4.14Å; I160-F162 HydrophobicContact CG2-CE2 3.78Å; I160-F162 HydrophobicContact CG2-CZ 3.52Å; F162-L176 HydrophobicContact CB-CD2 4.17Å; F162-L176 HydrophobicContact CD1-CD1 4.07Å; F162-L176 HydrophobicContact CD1-CD2 3.96Å; F162-L176 HydrophobicContact CD2-CD2 3.53Å; F162-L176 HydrophobicContact CE1-CD1 3.89Å; F162-L176 HydrophobicContact CE1-CD2 4.22Å; F162-L176 HydrophobicContact CE2-CD2 3.79Å; F162-L176 HydrophobicContact CG-CD2 3.59Å; F162-L176 HydrophobicContact CZ-CD1 4.19Å; F162-L176 HydrophobicContact CZ-CD2 4.12Å; F162-F178 HydrophobicContact CE2-CD1 4.26Å; F162-V207 HydrophobicContact CB-CB 4.16Å; F162-V207 HydrophobicContact CD2-CB 4.34Å; F162-V207 HydrophobicContact CD2-CG1 4.19Å; F162-V207 PolarHBondContact N-O 3.42Å; F162-V207 PolarHBondContact O-N 3.42Å; F162-Y209 AromaticContact CD2-CD2 3.87Å; F162-Y209 HydrophobicContact CD2-CD2 3.87Å; F162-Y209 AromaticContact CD2-CE2 3.62Å; F162-Y209 HydrophobicContact CD2-CE2 3.62Å; F162-Y209 AromaticContact CE2-CD2 3.54Å; F162-Y209 HydrophobicContact CE2-CD2 3.54Å; F162-Y209 AromaticContact CE2-CE2 3.39Å; F162-Y209 HydrophobicContact CE2-CE2 3.39Å
163	Y	98	Very high	91.1	Very high	21 Å²	21	46.9 Å²	46.9	8%	0.082	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	128.1	176.9	-179.1	-103.7	0	0	0	109.5	Q61 S63 P64 T150 T151 D165 T205 L206	Q61-Y163 PolarHBondContact O-OH 2.91Å; S63-Y163 PolarHBondContact N-OH 3.45Å; P64-Y163 HydrophobicContact CG-CG 4.16Å; T150-Y163 CarbonylContact C-O 3.48Å; T150-Y163 WeakPolarHBondContact CA-O 3.41Å; T150-Y163 PolarHBondContact OG1-O 3Å; T151-Y163 PolarHBondContact N-O 3.23Å; T151-Y163 PolarHBondContact O-N 2.78Å; Y163-D165 HydrophobicContact CD1-CB 4.28Å; Y163-D165 VanDerWaalsContact CD1-OD1 3.27Å; Y163-D165 WeakPolarHBondContact CD1-OD1 3.26Å; Y163-D165 HydrophobicContact CE1-CB 4.21Å; Y163-D165 WeakPolarHBondContact CE1-OD1 3.31Å; Y163-D165 PolarHBondContact O-N 2.82Å; Y163-T205 WeakPolarHBondContact CA-O 3.27Å; Y163-T205 WeakPolarHBondContact CD2-O 3.33Å; Y163-L206 HydrophobicContact CD2-CB 4.17Å; Y163-L206 HydrophobicContact CD2-CD1 4.21Å
164	Y	97.1	Very high	90.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	91.4	175.7	-56.3	-44.7	0	0	0	109.4	F148 K149 N166 V167 Y174 V201 K202 S203 G204 T205 V207	F148-Y164 HydrophobicContact CZ-CD1 4.15Å; F148-Y164 HydrophobicContact CZ-CE1 4.49Å; K149-Y164 CarbonylContact O-C 3.56Å; Y164-N166 VanDerWaalsContact C-N 3.33Å; Y164-N166 PolarHBondContact O-N 2.98Å; Y164-V167 HydrophobicContact CG-CG2 4.17Å; Y164-Y174 HydrophobicContact CE1-CD1 4.48Å; Y164-Y174 AromaticContact CE1-CE1 3.56Å; Y164-Y174 HydrophobicContact CE1-CE1 3.56Å; Y164-Y174 AromaticContact CE1-CZ 3.87Å; Y164-Y174 AromaticContact CZ-CE1 3.87Å; Y164-V201 HydrophobicContact CD2-CG1 4.48Å; Y164-V201 HydrophobicContact CE2-CB 4.32Å; Y164-V201 HydrophobicContact CE2-CG1 4.34Å; Y164-V201 HydrophobicContact CE2-CG2 4.23Å; Y164-K202 WeakPolarHBondContact CB-O 3.31Å; Y164-S203 WeakPolarHBondContact O-CA 3.38Å; Y164-G204 PolarHBondContact O-N 2.77Å; Y164-T205 HydrophobicContact CD2-CG2 4.22Å; Y164-T205 HydrophobicContact CE2-CG2 4.25Å; Y164-T205 PolarHBondContact N-O 2.85Å; Y164-V207 HydrophobicContact CE2-CG2 4.38Å
165	D	96.8	Very high	90.6	Very high	50 Å²	50	51.6 Å²	51.6	27%	0.267	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	-41.5	-178.1	-60.5	-88.2	0	0	0	112.8	K149 T150 T151 Y163	K149-D165 HydrophobicContact CB-CB 3.75Å; K149-D165 PolarHBondContact O-N 2.85Å; T150-D165 WeakPolarHBondContact CA-OD2 3.33Å; T151-D165 WeakPolarHBondContact CB-OD2 3.45Å; T151-D165 PolarHBondContact N-OD2 2.82Å; T151-D165 VanDerWaalsContact OG1-CG 3.31Å; T151-D165 PolarHBondContact OG1-OD1 2.91Å; T151-D165 PolarHBondContact OG1-OD2 3.3Å; Y163-D165 HydrophobicContact CD1-CB 4.28Å; Y163-D165 VanDerWaalsContact CD1-OD1 3.27Å; Y163-D165 WeakPolarHBondContact CD1-OD1 3.26Å; Y163-D165 HydrophobicContact CE1-CB 4.21Å; Y163-D165 WeakPolarHBondContact CE1-OD1 3.31Å; Y163-D165 PolarHBondContact O-N 2.82Å
166	N	96.2	Very high	90.6	Very high	61 Å²	61	49.8 Å²	49.8	33%	0.326	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	124.9	175.3	-169.5	57.9	0	0	0	109.9	T147 F148 K149 Y164	T147-N166 PolarHBondContact O-ND2 2.8Å; F148-N166 CarbonylContact C-O 3.52Å; F148-N166 VanDerWaalsContact CA-O 3.3Å; F148-N166 WeakPolarHBondContact CA-O 3.36Å; K149-N166 HydrophobicContact CB-CB 4.06Å; K149-N166 HydrophobicContact CD-CB 4.41Å; K149-N166 HydrophobicContact CG-CB 4.28Å; K149-N166 PolarHBondContact N-O 3.03Å; K149-N166 PolarHBondContact O-N 2.91Å; Y164-N166 VanDerWaalsContact C-N 3.33Å; Y164-N166 PolarHBondContact O-N 2.98Å
167	V	95.6	Very high	90.5	Very high	14 Å²	14	51.3 Å²	51.3	9%	0.085	25%	0.251	C	S	.	.			trans	-126.2	114.4	173.5	-175.8	0	0	0	0	105.9	F148 Y164 Y171 V201 S203	F148-V167 HydrophobicContact CD2-CB 4.26Å; F148-V167 HydrophobicContact CD2-CG1 3.87Å; F148-V167 HydrophobicContact CD2-CG2 4.1Å; F148-V167 HydrophobicContact CE2-CB 4.12Å; F148-V167 HydrophobicContact CE2-CG1 3.64Å; F148-V167 HydrophobicContact CE2-CG2 3.62Å; F148-V167 HydrophobicContact CZ-CG2 4.03Å; Y164-V167 HydrophobicContact CG-CG2 4.17Å; V167-Y171 HydrophobicContact CG1-CD2 3.93Å; V167-Y171 HydrophobicContact CG1-CG 4.3Å; V167-V201 HydrophobicContact CG1-CG1 4.28Å; V167-V201 HydrophobicContact CG2-CG1 4.5Å; V167-S203 PolarHBondContact N-OG 2.87Å; V167-S203 PolarHBondContact O-OG 2.96Å
168	P	92.6	Very high	90.8	Very high	21 Å²	21	46 Å²	46	14%	0.136	22%	0.222	C	C	.	.			trans	-65	173.6	173.4	2.2	11	0	0	0	109.1	V143 E145 T147 Y171	V143-P168 HydrophobicContact CG2-CG 3.93Å; E145-P168 HydrophobicContact CB-CB 4.27Å; T147-P168 WeakPolarHBondContact O-CD 3.04Å; T147-P168 WeakPolarHBondContact O-CG 3Å; P168-Y171 HydrophobicContact CB-CD2 4.29Å; P168-Y171 HydrophobicContact CB-CE2 3.33Å; P168-Y171 HydrophobicContact CG-CD2 4.19Å; P168-Y171 HydrophobicContact CG-CE2 3.29Å; P168-Y171 WeakPolarHBondContact CG-OH 3.47Å; P168-Y171 WeakPolarHBondContact O-CD2 3.39Å; P168-Y171 VanDerWaalsContact O-CE2 3.32Å; P168-Y171 WeakPolarHBondContact O-CE2 3.5Å
169	W	81.8	Confident	90.9	Very high	245 Å²	245	46.3 Å²	46.3	93%	0.928	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.4	139.5	-173.5	-172.5	73	0	0	0	112.3
170	G	70.7	Confident	91	Very high	55 Å²	55	44.5 Å²	44.5	57%	0.567	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	83	27.7	166.3	0	0	0	0	0	118	E172	G170-E172 VanDerWaalsContact C-N 3.33Å; G170-E172 PolarHBondContact O-N 2.81Å
171	Y	72.7	Confident	90.8	Very high	21 Å²	21	47.2 Å²	47.2	8%	0.082	23%	0.228	C	C	.	.			trans	-81.9	75.5	-179.2	-72.6	-91	0	0	0	113.4	V143 E145 F148 V167 P168 K173	V143-Y171 HydrophobicContact CB-CE1 3.67Å; V143-Y171 HydrophobicContact CG1-CE1 3.85Å; V143-Y171 HydrophobicContact CG2-CE1 3.62Å; V143-Y171 WeakPolarHBondContact CG2-OH 3.34Å; E145-Y171 VanDerWaalsContact CB-OH 3.24Å; E145-Y171 WeakPolarHBondContact CB-OH 3.33Å; E145-Y171 PolarHBondContact OE2-OH 2.76Å; F148-Y171 HydrophobicContact CD2-CD1 4.43Å; F148-Y171 HydrophobicContact CD2-CG 4.2Å; V167-Y171 HydrophobicContact CG1-CD2 3.93Å; V167-Y171 HydrophobicContact CG1-CG 4.3Å; P168-Y171 HydrophobicContact CB-CD2 4.29Å; P168-Y171 HydrophobicContact CB-CE2 3.33Å; P168-Y171 HydrophobicContact CG-CD2 4.19Å; P168-Y171 HydrophobicContact CG-CE2 3.29Å; P168-Y171 WeakPolarHBondContact CG-OH 3.47Å; P168-Y171 WeakPolarHBondContact O-CD2 3.39Å; P168-Y171 VanDerWaalsContact O-CE2 3.32Å; P168-Y171 WeakPolarHBondContact O-CE2 3.5Å; Y171-K173 PolarHBondContact O-N 2.91Å
172	E	75.4	Confident	90.4	Very high	129 Å²	129	48.4 Å²	48.4	60%	0.603	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-12.1	170.7	-51.5	-159.6	146.2	0	0	113.2	G170 K198	G170-E172 VanDerWaalsContact C-N 3.33Å; G170-E172 PolarHBondContact O-N 2.81Å; E172-K198 HydrophobicContact CB-CD 4.34Å; E172-K198 HydrophobicContact CG-CD 4.16Å; E172-K198 IonicContact OE1-NZ 3.03Å; E172-K198 PolarHBondContact OE1-NZ 2.82Å; E172-K198 IonicContact OE2-NZ 3.91Å; E172-K198 PolarHBondContact OE2-NZ 3.46Å
173	K	85.8	Confident	89.9	Confident	126 Å²	126	53.2 Å²	53.2	55%	0.548	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-11.6	-177.9	-65.8	-176.5	179.5	179.5	0	114.4	I118 S119 Y171	I118-K173 HydrophobicContact CG2-CB 4.3Å; S119-K173 PolarHBondContact N-O 2.84Å; Y171-K173 PolarHBondContact O-N 2.91Å
174	Y	91.6	Very high	89.2	Confident	11 Å²	11	53 Å²	53	4%	0.043	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	134.2	177.4	173.8	-96.7	0	0	0	109.8	H116 F117 I118 F148 Y164 L176 V201	H116-Y174 HydrophobicContact CB-CE2 4.32Å; H116-Y174 PolarHBondContact ND1-OH 2.8Å; F117-Y174 CarbonylContact O-C 3.58Å; F117-Y174 WeakPolarHBondContact O-CA 3.49Å; I118-Y174 HydrophobicContact CD1-CD2 4.18Å; I118-Y174 HydrophobicContact CG1-CD2 3.65Å; I118-Y174 HydrophobicContact CG1-CG 4.41Å; F148-Y174 HydrophobicContact CD1-CD2 4.45Å; F148-Y174 AromaticContact CE1-CD2 3.64Å; F148-Y174 HydrophobicContact CE1-CD2 3.64Å; F148-Y174 AromaticContact CE1-CE2 3.64Å; F148-Y174 HydrophobicContact CE1-CE2 3.64Å; F148-Y174 HydrophobicContact CE1-CG 4.22Å; F148-Y174 HydrophobicContact CE2-CD1 4.43Å; F148-Y174 HydrophobicContact CE2-CD2 4.08Å; F148-Y174 AromaticContact CE2-CG 3.9Å; F148-Y174 HydrophobicContact CE2-CG 3.9Å; F148-Y174 AromaticContact CZ-CD1 3.86Å; F148-Y174 HydrophobicContact CZ-CD1 3.86Å; F148-Y174 AromaticContact CZ-CD2 3.43Å; F148-Y174 HydrophobicContact CZ-CD2 3.43Å; F148-Y174 VanDerWaalsContact CZ-CD2 3.43Å; F148-Y174 HydrophobicContact CZ-CE1 4.08Å; F148-Y174 AromaticContact CZ-CE2 3.72Å; F148-Y174 HydrophobicContact CZ-CE2 3.72Å; F148-Y174 AromaticContact CZ-CG 3.51Å; F148-Y174 HydrophobicContact CZ-CG 3.51Å; Y164-Y174 HydrophobicContact CE1-CD1 4.48Å; Y164-Y174 AromaticContact CE1-CE1 3.56Å; Y164-Y174 HydrophobicContact CE1-CE1 3.56Å; Y164-Y174 AromaticContact CE1-CZ 3.87Å; Y164-Y174 AromaticContact CZ-CE1 3.87Å; Y174-L176 HydrophobicContact CE1-CB 4Å; Y174-V201 HydrophobicContact CD1-CB 4.39Å; Y174-V201 HydrophobicContact CD1-CG1 3.51Å; Y174-V201 HydrophobicContact CD1-CG2 3.91Å; Y174-V201 HydrophobicContact CE1-CG1 4.25Å; Y174-V201 HydrophobicContact CE1-CG2 4.44Å; Y174-V201 HydrophobicContact CG-CG1 4.1Å
175	Q	92.3	Very high	88.5	Confident	95 Å²	95	61 Å²	61	44%	0.444	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	138.2	172.9	-65.4	-177.1	-5.8	0	0	109	F117	F117-Q175 PolarHBondContact N-O 3.36Å; F117-Q175 PolarHBondContact O-N 3.06Å
176	L	94.2	Very high	87.9	Confident	7 Å²	7	62.7 Å²	62.7	4%	0.037	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	106.1	165.8	177	63.9	0	0	0	106.8	I114 D115 F162 Y174 V196	I114-L176 HydrophobicContact CG2-CD1 4.03Å; D115-L176 WeakPolarHBondContact O-CA 3.42Å; F162-L176 HydrophobicContact CB-CD2 4.17Å; F162-L176 HydrophobicContact CD1-CD1 4.07Å; F162-L176 HydrophobicContact CD1-CD2 3.96Å; F162-L176 HydrophobicContact CD2-CD2 3.53Å; F162-L176 HydrophobicContact CE1-CD1 3.89Å; F162-L176 HydrophobicContact CE1-CD2 4.22Å; F162-L176 HydrophobicContact CE2-CD2 3.79Å; F162-L176 HydrophobicContact CG-CD2 3.59Å; F162-L176 HydrophobicContact CZ-CD1 4.19Å; F162-L176 HydrophobicContact CZ-CD2 4.12Å; Y174-L176 HydrophobicContact CE1-CB 4Å; L176-V196 HydrophobicContact CD2-CG2 4.02Å
177	Q	91.5	Very high	87.3	Confident	65 Å²	65	63 Å²	63	30%	0.304	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	127.7	168.4	-57.7	-174.8	-12	0	0	108.1	I114 D115 V179	I114-Q177 CarbonylContact C-O 3.56Å; I114-Q177 VanDerWaalsContact CA-O 3.3Å; I114-Q177 WeakPolarHBondContact CA-O 3.24Å; D115-Q177 HydrophobicContact CB-CB 4.09Å; D115-Q177 PolarHBondContact N-O 3.23Å; D115-Q177 PolarHBondContact O-N 2.79Å; Q177-V179 HydrophobicContact CB-CG2 4.15Å
178	F	95.8	Very high	86.8	Confident	0 Å²	0	65 Å²	65	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	101.7	172.6	172.3	-152.1	0	0	0	108.4	Y53 F87 Y88 I114 I160 F162 E193 T194 Y209	Y53-F178 HydrophobicContact CD2-CE1 4.1Å; Y53-F178 AromaticContact CD2-CZ 3.74Å; Y53-F178 HydrophobicContact CD2-CZ 3.74Å; Y53-F178 HydrophobicContact CE2-CE1 4.21Å; Y53-F178 HydrophobicContact CE2-CE2 4.16Å; Y53-F178 AromaticContact CE2-CZ 3.41Å; Y53-F178 HydrophobicContact CE2-CZ 3.41Å; Y53-F178 VanDerWaalsContact CE2-CZ 3.41Å; Y53-F178 HydrophobicContact CG-CE1 4.49Å; Y53-F178 HydrophobicContact CG-CZ 4.43Å; Y53-F178 AromaticContact CZ-CZ 3.85Å; F87-F178 HydrophobicContact CD2-CE2 4.27Å; F87-F178 HydrophobicContact CE2-CD2 4.11Å; F87-F178 AromaticContact CE2-CE2 3.35Å; F87-F178 HydrophobicContact CE2-CE2 3.35Å; F87-F178 HydrophobicContact CE2-CZ 4.26Å; F87-F178 HydrophobicContact CZ-CD2 4.03Å; F87-F178 AromaticContact CZ-CE2 3.56Å; F87-F178 HydrophobicContact CZ-CE2 3.56Å; Y88-F178 HydrophobicContact CD2-CE2 4.21Å; Y88-F178 AromaticContact CE2-CD2 3.97Å; Y88-F178 HydrophobicContact CE2-CD2 3.97Å; Y88-F178 AromaticContact CE2-CE2 3.46Å; Y88-F178 HydrophobicContact CE2-CE2 3.46Å; Y88-F178 VanDerWaalsContact CE2-CE2 3.46Å; Y88-F178 AromaticContact CE2-CZ 3.96Å; Y88-F178 HydrophobicContact CE2-CZ 3.96Å; Y88-F178 PolarHBondContact OH-O 2.73Å; I114-F178 HydrophobicContact CG1-CD2 3.81Å; I114-F178 HydrophobicContact CG1-CE2 4.33Å; I114-F178 HydrophobicContact CG1-CG 4.47Å; I160-F178 HydrophobicContact CD1-CE2 4.08Å; I160-F178 HydrophobicContact CD1-CZ 3.76Å; F162-F178 HydrophobicContact CE2-CD1 4.26Å; F178-E193 WeakPolarHBondContact O-CA 3.47Å; F178-T194 WeakPolarHBondContact CB-OG1 3.41Å; F178-T194 WeakPolarHBondContact CD1-OG1 3.29Å; F178-T194 PolarHBondContact O-N 2.82Å; F178-Y209 AromaticContact CD1-CD1 3.89Å; F178-Y209 HydrophobicContact CD1-CD1 3.89Å; F178-Y209 AromaticContact CD1-CD2 3.83Å; F178-Y209 HydrophobicContact CD1-CD2 3.83Å; F178-Y209 AromaticContact CD1-CE1 3.75Å; F178-Y209 HydrophobicContact CD1-CE1 3.75Å; F178-Y209 AromaticContact CD1-CE2 3.69Å; F178-Y209 HydrophobicContact CD1-CE2 3.69Å; F178-Y209 AromaticContact CD1-CG 3.92Å; F178-Y209 HydrophobicContact CD1-CG 3.92Å; F178-Y209 AromaticContact CD1-CZ 3.64Å; F178-Y209 AromaticContact CE1-CD1 3.55Å; F178-Y209 HydrophobicContact CE1-CD1 3.55Å; F178-Y209 AromaticContact CE1-CD2 3.73Å; F178-Y209 HydrophobicContact CE1-CD2 3.73Å; F178-Y209 AromaticContact CE1-CE1 3.92Å; F178-Y209 HydrophobicContact CE1-CE1 3.92Å; F178-Y209 HydrophobicContact CE1-CE2 4.08Å; F178-Y209 AromaticContact CE1-CG 3.44Å; F178-Y209 HydrophobicContact CE1-CG 3.44Å; F178-Y209 VanDerWaalsContact CE1-CG 3.44Å
179	V	95.6	Very high	86.6	Confident	8 Å²	8	68.3 Å²	68.3	5%	0.048	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	136.2	-161.9	-169.6	0	0	0	0	111.2	F87 Y88 G112 T113 Q177 F181 V192 E193	F87-V179 WeakPolarHBondContact CE1-O 3Å; Y88-V179 VanDerWaalsContact CE2-C 3.49Å; G112-V179 CarbonylContact C-O 3.56Å; G112-V179 VanDerWaalsContact CA-O 3.23Å; G112-V179 WeakPolarHBondContact CA-O 3.41Å; T113-V179 HydrophobicContact CG2-CB 4.21Å; T113-V179 HydrophobicContact CG2-CG2 4.42Å; T113-V179 PolarHBondContact N-O 3.32Å; T113-V179 PolarHBondContact O-N 3.21Å; Q177-V179 HydrophobicContact CB-CG2 4.15Å; V179-F181 HydrophobicContact CB-CE2 4.43Å; V179-F181 HydrophobicContact CG1-CD2 4.49Å; V179-F181 HydrophobicContact CG1-CE1 4.35Å; V179-F181 HydrophobicContact CG1-CE2 3.84Å; V179-F181 HydrophobicContact CG1-CZ 3.78Å; V179-V192 CarbonylContact C-O 3.49Å; V179-V192 VanDerWaalsContact CA-O 3.27Å; V179-V192 WeakPolarHBondContact CA-O 3.5Å; V179-E193 HydrophobicContact CG1-CB 4.45Å; V179-E193 HydrophobicContact CG2-CB 3.95Å; V179-E193 HydrophobicContact CG2-CG 3.8Å
180	G	95.1	Very high	87	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	145.4	167.9	0	0	0	0	0	111.4	S191 V192	G180-S191 CarbonylContact O-C 3.48Å; G180-S191 VanDerWaalsContact O-CA 3.24Å; G180-S191 WeakPolarHBondContact O-CA 3.41Å; G180-V192 PolarHBondContact N-O 2.93Å; G180-V192 PolarHBondContact O-N 3.4Å
181	F	93.1	Very high	87.9	Confident	61 Å²	61	57.3 Å²	57.3	27%	0.268	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	141.1	178.1	-61.8	-89.2	0	0	0	110.9	Y110 I111 V179 T189 I190	Y110-F181 HydrophobicContact CD1-CD2 4.19Å; Y110-F181 HydrophobicContact CD1-CE2 4.29Å; Y110-F181 AromaticContact CE1-CD2 3.6Å; Y110-F181 HydrophobicContact CE1-CD2 3.6Å; Y110-F181 AromaticContact CE1-CE2 3.3Å; Y110-F181 HydrophobicContact CE1-CE2 3.3Å; Y110-F181 HydrophobicContact CE1-CZ 4.01Å; Y110-F181 AromaticContact CZ-CE2 3.72Å; Y110-F181 WeakPolarHBondContact OH-CE2 3.38Å; I111-F181 PolarHBondContact O-N 3.25Å; V179-F181 HydrophobicContact CB-CE2 4.43Å; V179-F181 HydrophobicContact CG1-CD2 4.49Å; V179-F181 HydrophobicContact CG1-CE1 4.35Å; V179-F181 HydrophobicContact CG1-CE2 3.84Å; V179-F181 HydrophobicContact CG1-CZ 3.78Å; F181-T189 HydrophobicContact CB-CG2 4.25Å; F181-T189 HydrophobicContact CD1-CG2 4.19Å; F181-I190 WeakPolarHBondContact CA-O 3.36Å
182	Y	88.8	Confident	88.8	Confident	26 Å²	26	56.3 Å²	56.3	10%	0.102	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	133.5	179.4	-59.6	-95.5	0	0	0	110.3	I30 Y51 Y88 T189 I190 V192	I30-Y182 HydrophobicContact CD1-CD1 3.72Å; I30-Y182 HydrophobicContact CD1-CD2 3.51Å; I30-Y182 HydrophobicContact CD1-CE1 4.01Å; I30-Y182 HydrophobicContact CD1-CE2 3.83Å; I30-Y182 HydrophobicContact CD1-CG 3.44Å; I30-Y182 VanDerWaalsContact CD1-CG 3.44Å; Y51-Y182 HydrophobicContact CD1-CE2 4.41Å; Y51-Y182 AromaticContact CD1-CZ 3.96Å; Y51-Y182 WeakPolarHBondContact CD1-OH 3.35Å; Y51-Y182 AromaticContact CE1-CE1 3.81Å; Y51-Y182 HydrophobicContact CE1-CE1 3.81Å; Y51-Y182 HydrophobicContact CE1-CE2 4.29Å; Y51-Y182 AromaticContact CE1-CZ 3.54Å; Y51-Y182 WeakPolarHBondContact CE1-OH 3.42Å; Y88-Y182 WeakPolarHBondContact CB-OH 3.44Å; Y88-Y182 HydrophobicContact CD1-CE2 4.4Å; Y88-Y182 WeakPolarHBondContact CD1-OH 3.43Å; Y88-Y182 WeakPolarHBondContact O-CE1 3.09Å; Y88-Y182 PolarHBondContact O-OH 3.25Å; Y88-Y182 VanDerWaalsContact O-OH 3.11Å; Y182-T189 VanDerWaalsContact O-CA 3.29Å; Y182-T189 WeakPolarHBondContact O-CA 3.39Å; Y182-I190 HydrophobicContact CD2-CG1 4.47Å; Y182-I190 PolarHBondContact N-O 2.75Å; Y182-I190 PolarHBondContact O-N 2.78Å; Y182-V192 HydrophobicContact CD2-CG2 4.21Å; Y182-V192 HydrophobicContact CE2-CB 4.25Å; Y182-V192 HydrophobicContact CE2-CG2 3.71Å
183	S	87	Confident	89.6	Confident	102 Å²	102	54 Å²	54	71%	0.713	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	124.4	168.5	-59.7	0	0	0	0	109.7
184	C	84.2	Confident	89.8	Confident	17 Å²	17	48 Å²	48	12%	0.115	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-96.9	162.4	175.9	-49.9	0	0	0	0	111.2	C27 G186 G187 A188	C27-C184 HydrophobicContact CB-CB 3.92Å; C27-C184 WeakPolarHBondContact CB-SG 3.47Å; C27-C184 WeakPolarHBondContact SG-CA 3.27Å; C27-C184 WeakPolarHBondContact SG-CB 3.08Å; C27-C184 CovalentContact SG-SG 2.01Å; C27-C184 PolarHBondContact SG-SG 2.99Å; C184-G186 PolarHBondContact O-N 3.46Å; C184-G187 PolarHBondContact O-N 3.14Å; C184-G187 VanDerWaalsContact O-N 3.11Å; C184-A188 HydrophobicContact CB-CB 4.13Å; C184-A188 WeakPolarHBondContact CB-O 3.22Å; C184-A188 PolarHBondContact N-O 3.14Å
185	E	82.4	Confident	89.6	Confident	168 Å²	168	51.7 Å²	51.7	79%	0.785	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	138	166.7	-167	177.5	-176.5	0	0	110.8
186	G	84.3	Confident	89.5	Confident	85 Å²	85	47.9 Å²	47.9	88%	0.876	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.3	2.9	-173.2	0	0	0	0	0	114.9	C184 A188	C184-G186 PolarHBondContact O-N 3.46Å; G186-A188 VanDerWaalsContact C-N 3.33Å
187	G	82.5	Confident	89.4	Confident	67 Å²	67	49.9 Å²	49.9	69%	0.691	32%	0.316	S	S	*	.	S	Bend	trans	82.8	5.2	175.3	0	0	0	0	0	114.7	C184	C184-G187 PolarHBondContact O-N 3.14Å; C184-G187 VanDerWaalsContact O-N 3.11Å
188	A	86.4	Confident	89.3	Confident	55 Å²	55	52.4 Å²	52.4	46%	0.455	33%	0.325	S	S	.	.			trans	-65.9	143.5	171.7	0	0	0	0	0	110.2	C184 G186	C184-A188 HydrophobicContact CB-CB 4.13Å; C184-A188 WeakPolarHBondContact CB-O 3.22Å; C184-A188 PolarHBondContact N-O 3.14Å; G186-A188 VanDerWaalsContact C-N 3.33Å
189	T	86.8	Confident	89.2	Confident	91 Å²	91	57.4 Å²	57.4	56%	0.558	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.3	132.2	171.2	-58.9	0	0	0	0	108.5	F181 Y182	F181-T189 HydrophobicContact CB-CG2 4.25Å; F181-T189 HydrophobicContact CD1-CG2 4.19Å; Y182-T189 VanDerWaalsContact O-CA 3.29Å; Y182-T189 WeakPolarHBondContact O-CA 3.39Å
190	I	89.9	Confident	89.1	Confident	24 Å²	24	57.2 Å²	57.2	12%	0.123	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	149.9	172	64.2	175.1	0	0	0	110.3	C27 I30 F181 Y182	C27-I190 HydrophobicContact CB-CD1 3.56Å; C27-I190 HydrophobicContact CB-CG1 4.49Å; C27-I190 WeakPolarHBondContact SG-CD1 3.33Å; I30-I190 HydrophobicContact CB-CD1 3.6Å; I30-I190 HydrophobicContact CD1-CD1 3.66Å; I30-I190 HydrophobicContact CD1-CG1 4.32Å; I30-I190 HydrophobicContact CG1-CD1 4.19Å; I30-I190 HydrophobicContact CG2-CD1 3.41Å; I30-I190 VanDerWaalsContact CG2-CD1 3.41Å; I30-I190 HydrophobicContact CG2-CG1 4.35Å; F181-I190 WeakPolarHBondContact CA-O 3.36Å; Y182-I190 HydrophobicContact CD2-CG1 4.47Å; Y182-I190 PolarHBondContact N-O 2.75Å; Y182-I190 PolarHBondContact O-N 2.78Å
191	S	90.5	Very high	89.1	Confident	46 Å²	46	57.8 Å²	57.8	32%	0.322	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	144.4	172.9	58	0	0	0	0	111.2	G180	G180-S191 CarbonylContact O-C 3.48Å; G180-S191 VanDerWaalsContact O-CA 3.24Å; G180-S191 WeakPolarHBondContact O-CA 3.41Å
192	V	91.5	Very high	89.1	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	116.4	166.9	-177.8	0	0	0	0	106.8	I30 Y51 Y88 V179 G180 Y182	I30-V192 HydrophobicContact CB-CG2 4.44Å; I30-V192 HydrophobicContact CG1-CG2 4.37Å; I30-V192 HydrophobicContact CG2-CG2 3.28Å; Y51-V192 HydrophobicContact CD1-CG2 4.38Å; Y88-V192 HydrophobicContact CE1-CB 4.14Å; Y88-V192 HydrophobicContact CE1-CG1 4Å; Y88-V192 PolarHBondContact OH-O 3.4Å; V179-V192 CarbonylContact C-O 3.49Å; V179-V192 VanDerWaalsContact CA-O 3.27Å; V179-V192 WeakPolarHBondContact CA-O 3.5Å; G180-V192 PolarHBondContact N-O 2.93Å; G180-V192 PolarHBondContact O-N 3.4Å; Y182-V192 HydrophobicContact CD2-CG2 4.21Å; Y182-V192 HydrophobicContact CE2-CB 4.25Å; Y182-V192 HydrophobicContact CE2-CG2 3.71Å
193	E	91.6	Very high	89.5	Confident	79 Å²	79	60.4 Å²	60.4	37%	0.369	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	139.9	179.2	175.8	170.3	-164.5	0	0	109.7	F178 V179 V195	F178-E193 WeakPolarHBondContact O-CA 3.47Å; V179-E193 HydrophobicContact CG1-CB 4.45Å; V179-E193 HydrophobicContact CG2-CB 3.95Å; V179-E193 HydrophobicContact CG2-CG 3.8Å; E193-V195 HydrophobicContact CG-CG2 4.29Å
194	T	91.4	Very high	90	Very high	0 Å²	0	56 Å²	56	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	136.7	169.9	69.5	0	0	0	0	109.3	Y50 F178 Y209	Y50-T194 HydrophobicContact CD1-CG2 4Å; Y50-T194 HydrophobicContact CD2-CG2 3.99Å; Y50-T194 HydrophobicContact CE1-CG2 4.15Å; Y50-T194 HydrophobicContact CE2-CG2 4.12Å; Y50-T194 HydrophobicContact CG-CG2 3.93Å; F178-T194 WeakPolarHBondContact CB-OG1 3.41Å; F178-T194 WeakPolarHBondContact CD1-OG1 3.29Å; F178-T194 PolarHBondContact O-N 2.82Å; T194-Y209 HydrophobicContact CG2-CE1 3.84Å; T194-Y209 WeakPolarHBondContact OG1-CE1 3.46Å; T194-Y209 PolarHBondContact OG1-OH 2.97Å
195	V	85.6	Confident	90.6	Very high	90 Å²	90	55.2 Å²	55.2	55%	0.545	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	127.2	-179.9	-179.1	0	0	0	0	109.5	R55 E193	R55-V195 PolarHBondContact NH1-O 3.11Å; E193-V195 HydrophobicContact CG-CG2 4.29Å
196	V	92.1	Very high	91.3	Very high	15 Å²	15	48 Å²	48	9%	0.091	30%	0.3	C	S	.	.			trans	-87.6	114.2	169.6	179.3	0	0	0	0	108.7	I57 L176 W200 V201 V207	I57-V196 HydrophobicContact CD1-CG1 4.04Å; I57-V196 HydrophobicContact CD1-CG2 4.38Å; L176-V196 HydrophobicContact CD2-CG2 4.02Å; V196-W200 HydrophobicContact CG1-CB 3.81Å; V196-V201 HydrophobicContact CG1-CG2 4.29Å; V196-V207 HydrophobicContact CG2-CG1 4.28Å; V196-V207 HydrophobicContact CG2-CG2 4.39Å
197	D	90.8	Very high	91.9	Very high	49 Å²	49	44 Å²	44	26%	0.262	26%	0.258	S	S	.	.			trans	-59.3	139.7	177	-172.4	-65.4	0	0	0	110.6	K199 W200 R275	D197-K199 HydrophobicContact CB-CG 4.19Å; D197-K199 PolarHBondContact O-N 2.93Å; D197-K199 WeakPolarHBondContact OD1-CB 3.11Å; D197-K199 VanDerWaalsContact OD1-CG 3.27Å; D197-K199 WeakPolarHBondContact OD1-CG 3.4Å; D197-K199 PolarHBondContact OD1-N 3.27Å; D197-W200 WeakPolarHBondContact O-CB 3.32Å; D197-W200 PolarHBondContact O-N 2.87Å; D197-R275 IonicContact OD2-NH2 3.21Å; D197-R275 PolarHBondContact OD2-NH2 3.08Å
198	K	90.5	Very high	92.6	Very high	117 Å²	117	41.4 Å²	41.4	51%	0.509	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-51.9	-28.5	-178.8	64.5	174.9	-177.8	169.7	0	113.9	E172 W200 V201	E172-K198 HydrophobicContact CB-CD 4.34Å; E172-K198 HydrophobicContact CG-CD 4.16Å; E172-K198 IonicContact OE1-NZ 3.03Å; E172-K198 PolarHBondContact OE1-NZ 2.82Å; E172-K198 IonicContact OE2-NZ 3.91Å; E172-K198 PolarHBondContact OE2-NZ 3.46Å; K198-W200 PolarHBondContact O-N 2.79Å; K198-W200 VanDerWaalsContact O-N 3.13Å; K198-V201 PolarHBondContact O-N 3.35Å; K198-V201 VanDerWaalsContact O-N 3.11Å
199	K	92.1	Very high	93.1	Very high	106 Å²	106	38.8 Å²	38.8	46%	0.461	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-60	-23	177	76.2	-173.2	177.4	168.6	0	113.4	E46 D197 K202	E46-K199 IonicContact OE2-NZ 2.9Å; E46-K199 PolarHBondContact OE2-NZ 2.01Å; D197-K199 HydrophobicContact CB-CG 4.19Å; D197-K199 PolarHBondContact O-N 2.93Å; D197-K199 WeakPolarHBondContact OD1-CB 3.11Å; D197-K199 VanDerWaalsContact OD1-CG 3.27Å; D197-K199 WeakPolarHBondContact OD1-CG 3.4Å; D197-K199 PolarHBondContact OD1-N 3.27Å; K199-K202 VanDerWaalsContact O-CE 3.25Å; K199-K202 WeakPolarHBondContact O-CE 3.48Å
200	W	94.4	Very high	93.5	Very high	3 Å²	3	35.5 Å²	35.5	1%	0.011	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-91.8	-16	-179.9	-60.9	123.3	0	0	0	113.4	E46 I57 L59 V196 D197 K198 K202 T205	E46-W200 HydrophobicContact CB-CH2 4.23Å; E46-W200 HydrophobicContact CB-CZ2 3.57Å; E46-W200 HydrophobicContact CG-CZ2 4.29Å; E46-W200 PolarHBondContact OE1-NE1 2.75Å; E46-W200 PolarHBondContact OE2-NE1 2.89Å; I57-W200 HydrophobicContact CB-CD2 4.41Å; I57-W200 HydrophobicContact CD1-CB 4.31Å; I57-W200 HydrophobicContact CD1-CG 3.94Å; I57-W200 HydrophobicContact CG2-CB 4.02Å; I57-W200 HydrophobicContact CG2-CD2 3.67Å; I57-W200 HydrophobicContact CG2-CE3 3.68Å; I57-W200 HydrophobicContact CG2-CG 3.82Å; I57-W200 HydrophobicContact CG2-CZ3 4.45Å; L59-W200 HydrophobicContact CD1-CZ3 4.18Å; L59-W200 HydrophobicContact CD2-CE3 3.71Å; L59-W200 HydrophobicContact CD2-CZ3 4.08Å; L59-W200 HydrophobicContact CG-CE3 4.06Å; L59-W200 HydrophobicContact CG-CZ3 3.9Å; V196-W200 HydrophobicContact CG1-CB 3.81Å; D197-W200 WeakPolarHBondContact O-CB 3.32Å; D197-W200 PolarHBondContact O-N 2.87Å; K198-W200 PolarHBondContact O-N 2.79Å; K198-W200 VanDerWaalsContact O-N 3.13Å; W200-K202 PolarHBondContact O-N 2.85Å; W200-T205 VanDerWaalsContact O-CB 3.31Å; W200-T205 WeakPolarHBondContact O-CB 3.43Å; W200-T205 WeakPolarHBondContact O-CG2 3.49Å; W200-T205 PolarHBondContact O-OG1 2.85Å
201	V	94.4	Very high	93.6	Very high	13 Å²	13	35.5 Å²	35.5	8%	0.079	19%	0.186	C	C	.	.			trans	-81.3	85.2	-176.3	-172.9	0	0	0	0	109.9	F148 Y164 V167 Y174 V196 K198	F148-V201 HydrophobicContact CE2-CG1 3.85Å; F148-V201 HydrophobicContact CZ-CG1 4.02Å; Y164-V201 HydrophobicContact CD2-CG1 4.48Å; Y164-V201 HydrophobicContact CE2-CB 4.32Å; Y164-V201 HydrophobicContact CE2-CG1 4.34Å; Y164-V201 HydrophobicContact CE2-CG2 4.23Å; V167-V201 HydrophobicContact CG1-CG1 4.28Å; V167-V201 HydrophobicContact CG2-CG1 4.5Å; Y174-V201 HydrophobicContact CD1-CB 4.39Å; Y174-V201 HydrophobicContact CD1-CG1 3.51Å; Y174-V201 HydrophobicContact CD1-CG2 3.91Å; Y174-V201 HydrophobicContact CE1-CG1 4.25Å; Y174-V201 HydrophobicContact CE1-CG2 4.44Å; Y174-V201 HydrophobicContact CG-CG1 4.1Å; V196-V201 HydrophobicContact CG1-CG2 4.29Å; K198-V201 PolarHBondContact O-N 3.35Å; K198-V201 VanDerWaalsContact O-N 3.11Å
202	K	94.7	Very high	93.6	Very high	91 Å²	91	33.5 Å²	33.5	40%	0.396	17%	0.172	S	C	.	.	S	Bend	trans	-151.5	157.7	178.3	48.1	-173.5	162.2	-174.4	0	111	L59 Y164 K199 W200 G204 T205	L59-K202 HydrophobicContact CD1-CD 4.46Å; L59-K202 HydrophobicContact CD2-CD 4.2Å; L59-K202 HydrophobicContact CD2-CG 4.09Å; Y164-K202 WeakPolarHBondContact CB-O 3.31Å; K199-K202 VanDerWaalsContact O-CE 3.25Å; K199-K202 WeakPolarHBondContact O-CE 3.48Å; W200-K202 PolarHBondContact O-N 2.85Å; K202-G204 PolarHBondContact O-N 3.11Å; K202-T205 WeakPolarHBondContact CG-OG1 3.37Å; K202-T205 WeakPolarHBondContact O-CB 3.41Å; K202-T205 PolarHBondContact O-N 2.89Å; K202-T205 PolarHBondContact O-OG1 2.89Å; K202-T205 VanDerWaalsContact O-OG1 3.05Å
203	S	96.2	Very high	93.4	Very high	51 Å²	51	34.8 Å²	34.8	36%	0.357	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	135.5	-179.8	-56.9	0	0	0	0	111.5	Y164 V167 T205	Y164-S203 WeakPolarHBondContact O-CA 3.38Å; V167-S203 PolarHBondContact N-OG 2.87Å; V167-S203 PolarHBondContact O-OG 2.96Å; S203-T205 VanDerWaalsContact C-N 3.32Å
204	G	96.8	Very high	93.2	Very high	10 Å²	10	36.1 Å²	36.1	10%	0.103	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	9.2	179	0	0	0	0	0	114.8	N60 Q61 Y164 K202	N60-G204 PolarHBondContact N-O 3.47Å; N60-G204 VanDerWaalsContact N-O 3.07Å; Q61-G204 PolarHBondContact N-O 2.87Å; Y164-G204 PolarHBondContact O-N 2.77Å; K202-G204 PolarHBondContact O-N 3.11Å
205	T	97.2	Very high	93.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.195	C	C	.	.			trans	-79.7	132.2	168.2	-55.4	0	0	0	0	110.2	I57 R58 L59 Y163 Y164 W200 K202 S203 V207	I57-T205 HydrophobicContact CG2-CG2 3.58Å; R58-T205 WeakPolarHBondContact O-CA 3.41Å; L59-T205 HydrophobicContact CD2-CG2 4.01Å; L59-T205 WeakPolarHBondContact CD2-OG1 3.14Å; Y163-T205 WeakPolarHBondContact CA-O 3.27Å; Y163-T205 WeakPolarHBondContact CD2-O 3.33Å; Y164-T205 HydrophobicContact CD2-CG2 4.22Å; Y164-T205 HydrophobicContact CE2-CG2 4.25Å; Y164-T205 PolarHBondContact N-O 2.85Å; W200-T205 VanDerWaalsContact O-CB 3.31Å; W200-T205 WeakPolarHBondContact O-CB 3.43Å; W200-T205 WeakPolarHBondContact O-CG2 3.49Å; W200-T205 PolarHBondContact O-OG1 2.85Å; K202-T205 WeakPolarHBondContact CG-OG1 3.37Å; K202-T205 WeakPolarHBondContact O-CB 3.41Å; K202-T205 PolarHBondContact O-N 2.89Å; K202-T205 PolarHBondContact O-OG1 2.89Å; K202-T205 VanDerWaalsContact O-OG1 3.05Å; S203-T205 VanDerWaalsContact C-N 3.32Å; T205-V207 HydrophobicContact CG2-CG2 4.21Å
206	L	97.8	Very high	93.3	Very high	16 Å²	16	33.1 Å²	33.1	8%	0.084	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125.7	169.4	-179.2	64.8	0	0	0	109.4	I57 R58 Q61 Y163 E208	I57-L206 WeakPolarHBondContact CA-O 3.44Å; R58-L206 PolarHBondContact N-O 2.94Å; R58-L206 PolarHBondContact O-N 2.76Å; Q61-L206 HydrophobicContact CB-CB 3.81Å; Q61-L206 HydrophobicContact CB-CD2 4.43Å; Q61-L206 HydrophobicContact CG-CB 3.81Å; Q61-L206 HydrophobicContact CG-CD2 4.47Å; Y163-L206 HydrophobicContact CD2-CB 4.17Å; Y163-L206 HydrophobicContact CD2-CD1 4.21Å; L206-E208 HydrophobicContact CD1-CG 4.22Å; L206-E208 HydrophobicContact CD2-CG 4.02Å; L206-E208 HydrophobicContact CG-CG 3.84Å
207	V	97.5	Very high	93.1	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	119.4	173.5	-179.5	0	0	0	0	107.3	R55 M56 I57 S161 F162 Y164 V196 T205 Y209	R55-V207 HydrophobicContact CG-CG1 3.88Å; M56-V207 CarbonylContact O-C 3.57Å; M56-V207 WeakPolarHBondContact O-CA 3.11Å; I57-V207 HydrophobicContact CD1-CG1 4.33Å; I57-V207 HydrophobicContact CD1-CG2 4.09Å; I57-V207 HydrophobicContact CG1-CB 4.32Å; I57-V207 HydrophobicContact CG1-CG1 3.98Å; I57-V207 HydrophobicContact CG1-CG2 3.97Å; I57-V207 HydrophobicContact CG2-CG2 4.25Å; S161-V207 CarbonylContact C-O 3.52Å; S161-V207 VanDerWaalsContact CA-O 3.26Å; S161-V207 WeakPolarHBondContact CA-O 3.27Å; F162-V207 HydrophobicContact CB-CB 4.16Å; F162-V207 HydrophobicContact CD2-CB 4.34Å; F162-V207 HydrophobicContact CD2-CG1 4.19Å; F162-V207 PolarHBondContact N-O 3.42Å; F162-V207 PolarHBondContact O-N 3.42Å; Y164-V207 HydrophobicContact CE2-CG2 4.38Å; V196-V207 HydrophobicContact CG2-CG1 4.28Å; V196-V207 HydrophobicContact CG2-CG2 4.39Å; T205-V207 HydrophobicContact CG2-CG2 4.21Å; V207-Y209 HydrophobicContact CG1-CD2 4.08Å; V207-Y209 HydrophobicContact CG1-CE2 3.42Å; V207-Y209 VanDerWaalsContact CG1-CE2 3.42Å
208	E	96.8	Very high	93.1	Very high	14 Å²	14	37 Å²	37	7%	0.065	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	128.3	178.9	-60.9	-176.7	98.8	0	0	110.2	R55 M56 R58 K159 L206 N251	R55-E208 CarbonylContact C-O 3.55Å; R55-E208 VanDerWaalsContact CA-O 3.27Å; R55-E208 WeakPolarHBondContact CA-O 3.43Å; M56-E208 PolarHBondContact N-O 3.37Å; M56-E208 PolarHBondContact O-N 3.02Å; R58-E208 IonicContact CZ-OE2 3.7Å; R58-E208 IonicContact NH2-OE2 2.8Å; R58-E208 PolarHBondContact NH2-OE2 3.19Å; K159-E208 IonicContact NZ-OE1 2.71Å; K159-E208 PolarHBondContact NZ-OE1 2.87Å; L206-E208 HydrophobicContact CD1-CG 4.22Å; L206-E208 HydrophobicContact CD2-CG 4.02Å; L206-E208 HydrophobicContact CG-CG 3.84Å; E208-N251 PolarHBondContact OE2-ND2 3.21Å; E208-N251 VanDerWaalsContact OE2-ND2 3.15Å
209	Y	96.3	Very high	93.1	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	124.1	170.4	-66	-92.2	0	0	0	109.4	S54 R55 K159 I160 F162 F178 T194 V207	S54-Y209 CarbonylContact O-C 3.58Å; S54-Y209 VanDerWaalsContact O-CA 3.26Å; S54-Y209 WeakPolarHBondContact O-CA 3.33Å; R55-Y209 HydrophobicContact CB-CD1 3.78Å; R55-Y209 HydrophobicContact CB-CE1 3.59Å; R55-Y209 WeakPolarHBondContact CD-OH 3.48Å; R55-Y209 HydrophobicContact CG-CD1 3.99Å; R55-Y209 HydrophobicContact CG-CE1 3.57Å; R55-Y209 HydrophobicContact CG-CE2 4.17Å; R55-Y209 HydrophobicContact CG-CG 4.45Å; K159-Y209 VanDerWaalsContact CA-O 3.32Å; K159-Y209 WeakPolarHBondContact CA-O 3.4Å; K159-Y209 VanDerWaalsContact CG-O 3.3Å; K159-Y209 WeakPolarHBondContact CG-O 3.26Å; I160-Y209 PolarHBondContact N-O 3.01Å; I160-Y209 PolarHBondContact O-N 3.03Å; F162-Y209 AromaticContact CD2-CD2 3.87Å; F162-Y209 HydrophobicContact CD2-CD2 3.87Å; F162-Y209 AromaticContact CD2-CE2 3.62Å; F162-Y209 HydrophobicContact CD2-CE2 3.62Å; F162-Y209 AromaticContact CE2-CD2 3.54Å; F162-Y209 HydrophobicContact CE2-CD2 3.54Å; F162-Y209 AromaticContact CE2-CE2 3.39Å; F162-Y209 HydrophobicContact CE2-CE2 3.39Å; F178-Y209 AromaticContact CD1-CD1 3.89Å; F178-Y209 HydrophobicContact CD1-CD1 3.89Å; F178-Y209 AromaticContact CD1-CD2 3.83Å; F178-Y209 HydrophobicContact CD1-CD2 3.83Å; F178-Y209 AromaticContact CD1-CE1 3.75Å; F178-Y209 HydrophobicContact CD1-CE1 3.75Å; F178-Y209 AromaticContact CD1-CE2 3.69Å; F178-Y209 HydrophobicContact CD1-CE2 3.69Å; F178-Y209 AromaticContact CD1-CG 3.92Å; F178-Y209 HydrophobicContact CD1-CG 3.92Å; F178-Y209 AromaticContact CD1-CZ 3.64Å; F178-Y209 AromaticContact CE1-CD1 3.55Å; F178-Y209 HydrophobicContact CE1-CD1 3.55Å; F178-Y209 AromaticContact CE1-CD2 3.73Å; F178-Y209 HydrophobicContact CE1-CD2 3.73Å; F178-Y209 AromaticContact CE1-CE1 3.92Å; F178-Y209 HydrophobicContact CE1-CE1 3.92Å; F178-Y209 HydrophobicContact CE1-CE2 4.08Å; F178-Y209 AromaticContact CE1-CG 3.44Å; F178-Y209 HydrophobicContact CE1-CG 3.44Å; F178-Y209 VanDerWaalsContact CE1-CG 3.44Å; T194-Y209 HydrophobicContact CG2-CE1 3.84Å; T194-Y209 WeakPolarHBondContact OG1-CE1 3.46Å; T194-Y209 PolarHBondContact OG1-OH 2.97Å; V207-Y209 HydrophobicContact CG1-CD2 4.08Å; V207-Y209 HydrophobicContact CG1-CE2 3.42Å; V207-Y209 VanDerWaalsContact CG1-CE2 3.42Å
210	E	94.8	Very high	93.1	Very high	21 Å²	21	34.4 Å²	34.4	10%	0.098	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134.6	-179.9	-177.7	175.4	-158.1	0	0	109	Y53 S54 S212 V245 N247 N248 K255	Y53-E210 CarbonylContact C-O 3.46Å; Y53-E210 WeakPolarHBondContact CA-O 3.27Å; S54-E210 PolarHBondContact N-O 3.48Å; S54-E210 PolarHBondContact O-N 3.45Å; S54-E210 PolarHBondContact OG-O 2.03Å; E210-S212 PolarHBondContact O-N 3.24Å; E210-S212 VanDerWaalsContact O-N 3.14Å; E210-V245 HydrophobicContact CB-CG1 4.44Å; E210-V245 HydrophobicContact CG-CG1 4Å; E210-V245 HydrophobicContact CG-CG2 4.27Å; E210-N247 VanDerWaalsContact OE1-CA 3.29Å; E210-N247 WeakPolarHBondContact OE1-CA 3.42Å; E210-N247 WeakPolarHBondContact OE1-CB 3.45Å; E210-N247 PolarHBondContact OE1-N 2.87Å; E210-N248 PolarHBondContact OE1-N 3Å; E210-K255 IonicContact OE2-NZ 2.67Å; E210-K255 PolarHBondContact OE2-NZ 3.06Å
211	V	93.5	Very high	93.1	Very high	25 Å²	25	37.1 Å²	37.1	15%	0.152	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	117.3	176.3	179.5	0	0	0	0	108.8	Y52 Y53 G213 V245	Y52-V211 HydrophobicContact CE1-CG1 4.03Å; Y52-V211 HydrophobicContact CE1-CG2 4.01Å; Y52-V211 HydrophobicContact CE2-CG1 4.16Å; Y53-V211 HydrophobicContact CD1-CG2 4.4Å; Y53-V211 HydrophobicContact CE1-CG2 3.86Å; V211-G213 VanDerWaalsContact C-N 3.26Å; V211-G213 PolarHBondContact O-N 3.2Å; V211-V245 WeakPolarHBondContact O-CG2 3.34Å
212	S	90.4	Very high	93	Very high	4 Å²	4	42.5 Å²	42.5	3%	0.028	23%	0.234	C	C	.	.			trans	-68.8	-23.8	-176.3	-68.7	0	0	0	0	113.4	Y52 Y53 S54 E210 C215	Y52-S212 WeakPolarHBondContact O-CB 3.36Å; Y52-S212 PolarHBondContact O-N 2.88Å; Y52-S212 PolarHBondContact O-OG 3.18Å; Y53-S212 PolarHBondContact O-OG 2.84Å; S54-S212 PolarHBondContact N-OG 3.07Å; S54-S212 VanDerWaalsContact N-OG 3.11Å; E210-S212 PolarHBondContact O-N 3.24Å; E210-S212 VanDerWaalsContact O-N 3.14Å; S212-C215 PolarHBondContact O-N 2.92Å
213	G	86.8	Confident	93	Very high	27 Å²	27	40.6 Å²	40.6	28%	0.278	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	-142.8	-169.5	0	0	0	0	0	111.7	V211	V211-G213 VanDerWaalsContact C-N 3.26Å; V211-G213 PolarHBondContact O-N 3.2Å
214	D	87.5	Confident	92.9	Very high	106 Å²	106	38.2 Å²	38.2	57%	0.567	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	4.8	-178.9	-66.4	-35.3	0	0	0	113.9	A216 I217	D214-A216 PolarHBondContact O-N 2.9Å; D214-A216 VanDerWaalsContact O-N 3.11Å; D214-I217 HydrophobicContact CB-CD1 3.94Å; D214-I217 VanDerWaalsContact O-CB 3.3Å; D214-I217 WeakPolarHBondContact O-CB 3.47Å; D214-I217 WeakPolarHBondContact O-CG1 3.48Å; D214-I217 PolarHBondContact O-N 2.9Å
215	C	91.6	Very high	92.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-53.6	-42	-173.3	-64.1	0	0	0	0	112.4	S212 I217 H218 T232 C234 C243	S212-C215 PolarHBondContact O-N 2.92Å; C215-I217 PolarHBondContact O-N 3.27Å; C215-I217 VanDerWaalsContact O-N 3.09Å; C215-H218 PolarHBondContact O-CD2 3.35Å; C215-H218 PolarHBondContact O-N 2.8Å; C215-H218 VanDerWaalsContact O-N 3.11Å; C215-T232 VanDerWaalsContact SG-CG2 3.56Å; C215-C234 WeakPolarHBondContact CA-SG 3.49Å; C215-C234 HydrophobicContact CB-CB 3.83Å; C215-C234 WeakPolarHBondContact CB-SG 3.49Å; C215-C234 VanDerWaalsContact SG-CA 3.56Å; C215-C234 WeakPolarHBondContact SG-CB 3.21Å; C215-C234 CovalentContact SG-SG 2.04Å; C215-C234 PolarHBondContact SG-SG 3.17Å; C215-C243 WeakPolarHBondContact O-CB 3.41Å; C215-C243 PolarHBondContact O-SG 3.42Å
216	A	88	Confident	92	Very high	27 Å²	27	48.7 Å²	48.7	22%	0.223	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-62.2	-18	-178.9	0	0	0	0	0	114.7	D214 H218	D214-A216 PolarHBondContact O-N 2.9Å; D214-A216 VanDerWaalsContact O-N 3.11Å; A216-H218 VanDerWaalsContact C-N 3.31Å
217	I	86.8	Confident	91.4	Very high	98 Å²	98	48.9 Å²	48.9	50%	0.503	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-73.5	-26.9	179	-57.3	178.1	0	0	0	110.8	D214 C215 N219	D214-I217 HydrophobicContact CB-CD1 3.94Å; D214-I217 VanDerWaalsContact O-CB 3.3Å; D214-I217 WeakPolarHBondContact O-CB 3.47Å; D214-I217 WeakPolarHBondContact O-CG1 3.48Å; D214-I217 PolarHBondContact O-N 2.9Å; C215-I217 PolarHBondContact O-N 3.27Å; C215-I217 VanDerWaalsContact O-N 3.09Å; I217-N219 PolarHBondContact O-N 3.15Å
218	H	90.4	Very high	90.5	Very high	48 Å²	48	52 Å²	52	22%	0.222	30%	0.3	C	S	.	.			trans	-80.2	115.4	-178.9	-54.1	-62.6	0	0	0	110.8	C215 A216 C224 S227 C243	C215-H218 PolarHBondContact O-CD2 3.35Å; C215-H218 PolarHBondContact O-N 2.8Å; C215-H218 VanDerWaalsContact O-N 3.11Å; A216-H218 VanDerWaalsContact C-N 3.31Å; H218-C224 HydrophobicContact CB-CB 4.03Å; H218-S227 VanDerWaalsContact CD2-CB 3.44Å; H218-S227 WeakPolarHBondContact CD2-CB 3.13Å; H218-S227 PolarHBondContact CD2-OG 2.91Å; H218-S227 VanDerWaalsContact CD2-OG 3.3Å; H218-S227 VanDerWaalsContact CE1-CB 3.43Å; H218-S227 WeakPolarHBondContact CE1-CB 3.18Å; H218-S227 WeakPolarHBondContact NE2-CB 3.49Å; H218-S227 PolarHBondContact NE2-OG 2.82Å; H218-C243 HydrophobicContact CB-CB 4.05Å; H218-C243 VanDerWaalsContact O-CB 3.28Å; H218-C243 WeakPolarHBondContact O-CB 3.37Å
219	N	90.9	Very high	89.7	Confident	139 Å²	139	55.5 Å²	55.5	74%	0.743	32%	0.322	S	S	*	.			trans	-103.4	6.6	-173.9	66.3	-2	0	0	0	113.7	I217 W236	I217-N219 PolarHBondContact O-N 3.15Å; N219-W236 WeakPolarHBondContact O-CH2 3.25Å
220	S	92.8	Very high	88.6	Confident	30 Å²	30	61 Å²	61	21%	0.21	36%	0.36	C	S	.	.	S	Bend	trans	-133.9	159.2	174.4	92.8	0	0	0	0	111.3	E222 T223 C224 W236	S220-E222 VanDerWaalsContact C-N 3.29Å; S220-E222 VanDerWaalsContact CB-OE2 3.25Å; S220-E222 WeakPolarHBondContact CB-OE2 3.24Å; S220-E222 PolarHBondContact O-N 2.81Å; S220-E222 PolarHBondContact OG-N 3.06Å; S220-E222 PolarHBondContact OG-OE2 2.97Å; S220-T223 PolarHBondContact N-OG1 3.29Å; S220-T223 PolarHBondContact O-N 3.29Å; S220-T223 PolarHBondContact O-OG1 2.86Å; S220-T223 PolarHBondContact OG-N 2.93Å; S220-T223 VanDerWaalsContact OG-N 3.16Å; S220-T223 PolarHBondContact OG-OG1 3.44Å; S220-C224 VanDerWaalsContact O-CB 3.23Å; S220-C224 WeakPolarHBondContact O-CB 3.3Å; S220-C224 PolarHBondContact O-N 3.19Å; S220-W236 VanDerWaalsContact C-CZ3 3.42Å; S220-W236 WeakPolarHBondContact O-CZ3 3.21Å
221	I	93.2	Very high	87.7	Confident	60 Å²	60	66.2 Å²	66.2	31%	0.308	39%	0.388	S	S	.	.	H	α-helix	trans	-57	-47.4	176.9	-65	167	0	0	0	110.1	C224 Q225 W236	I221-C224 PolarHBondContact O-N 3.29Å; I221-Q225 HydrophobicContact CG2-CG 4.31Å; I221-Q225 WeakPolarHBondContact O-CB 3.33Å; I221-Q225 VanDerWaalsContact O-CG 3.28Å; I221-Q225 WeakPolarHBondContact O-CG 3.36Å; I221-Q225 PolarHBondContact O-N 2.84Å; I221-W236 HydrophobicContact CB-CD2 4.42Å; I221-W236 HydrophobicContact CB-CG 4.35Å; I221-W236 VanDerWaalsContact CG1-CD1 3.5Å; I221-W236 HydrophobicContact CG1-CD2 3.76Å; I221-W236 HydrophobicContact CG1-CG 3.7Å; I221-W236 HydrophobicContact CG1-CZ2 4.18Å
222	E	93	Very high	87.3	Confident	125 Å²	125	66.3 Å²	66.3	58%	0.584	39%	0.389	S	S	*	.	H	α-helix	trans	-65.2	-47.2	-174.5	-53.5	72	-155.6	0	0	110.6	S220 C224 Q225 S226	S220-E222 VanDerWaalsContact C-N 3.29Å; S220-E222 VanDerWaalsContact CB-OE2 3.25Å; S220-E222 WeakPolarHBondContact CB-OE2 3.24Å; S220-E222 PolarHBondContact O-N 2.81Å; S220-E222 PolarHBondContact OG-N 3.06Å; S220-E222 PolarHBondContact OG-OE2 2.97Å; E222-C224 VanDerWaalsContact C-N 3.34Å; E222-C224 PolarHBondContact O-N 2.95Å; E222-Q225 PolarHBondContact O-N 2.72Å; E222-S226 VanDerWaalsContact O-CB 3.32Å; E222-S226 WeakPolarHBondContact O-CB 3.23Å; E222-S226 PolarHBondContact O-N 2.71Å; E222-S226 PolarHBondContact O-OG 2.65Å
223	T	94	Very high	87.4	Confident	52 Å²	52	72.3 Å²	72.3	32%	0.319	41%	0.411	S	S	.	.	H	α-helix	trans	-64.8	-40.2	178.6	54.5	0	0	0	0	111.2	S220 S226 S227	S220-T223 PolarHBondContact N-OG1 3.29Å; S220-T223 PolarHBondContact O-N 3.29Å; S220-T223 PolarHBondContact O-OG1 2.86Å; S220-T223 PolarHBondContact OG-N 2.93Å; S220-T223 VanDerWaalsContact OG-N 3.16Å; S220-T223 PolarHBondContact OG-OG1 3.44Å; T223-S226 PolarHBondContact O-OG 2.9Å; T223-S226 VanDerWaalsContact O-OG 3.07Å; T223-S227 WeakPolarHBondContact O-CB 3.49Å; T223-S227 PolarHBondContact O-N 2.87Å
224	C	93.9	Very high	87.7	Confident	1 Å²	1	72.1 Å²	72.1	1%	0.007	41%	0.406	C	S	.	.	H	α-helix	trans	-66.4	-40.9	177.2	-176.6	0	0	0	0	113.5	H218 S220 I221 E222 S227 W236 C243	H218-C224 HydrophobicContact CB-CB 4.03Å; S220-C224 VanDerWaalsContact O-CB 3.23Å; S220-C224 WeakPolarHBondContact O-CB 3.3Å; S220-C224 PolarHBondContact O-N 3.19Å; I221-C224 PolarHBondContact O-N 3.29Å; E222-C224 VanDerWaalsContact C-N 3.34Å; E222-C224 PolarHBondContact O-N 2.95Å; C224-S227 PolarHBondContact O-OG 2.8Å; C224-W236 HydrophobicContact CB-CB 4.41Å; C224-W236 HydrophobicContact CB-CE3 3.74Å; C224-W236 HydrophobicContact CB-CZ3 4.48Å; C224-C243 VanDerWaalsContact CA-SG 3.52Å; C224-C243 HydrophobicContact CB-CB 3.58Å; C224-C243 WeakPolarHBondContact CB-SG 3.32Å; C224-C243 VanDerWaalsContact SG-CA 3.52Å; C224-C243 WeakPolarHBondContact SG-CB 3.25Å; C224-C243 CovalentContact SG-SG 2.03Å; C224-C243 PolarHBondContact SG-SG 2.72Å
225	Q	88.9	Confident	87.9	Confident	134 Å²	134	69.4 Å²	69.4	63%	0.626	39%	0.389	S	S	*	.	H	α-helix	trans	-73.4	-31.4	-179.9	-73.3	175.5	-17.9	0	0	112.1	I221 E222	I221-Q225 HydrophobicContact CG2-CG 4.31Å; I221-Q225 WeakPolarHBondContact O-CB 3.33Å; I221-Q225 VanDerWaalsContact O-CG 3.28Å; I221-Q225 WeakPolarHBondContact O-CG 3.36Å; I221-Q225 PolarHBondContact O-N 2.84Å; E222-Q225 PolarHBondContact O-N 2.72Å
226	S	88.2	Confident	88.1	Confident	95 Å²	95	70.2 Å²	70.2	66%	0.664	39%	0.392	S	S	*	.	H	α-helix	trans	-81.6	-9.2	178.9	69.7	0	0	0	0	114.8	E222 T223 A228	E222-S226 VanDerWaalsContact O-CB 3.32Å; E222-S226 WeakPolarHBondContact O-CB 3.23Å; E222-S226 PolarHBondContact O-N 2.71Å; E222-S226 PolarHBondContact O-OG 2.65Å; T223-S226 PolarHBondContact O-OG 2.9Å; T223-S226 VanDerWaalsContact O-OG 3.07Å; S226-A228 PolarHBondContact O-N 2.99Å
227	S	83.9	Confident	88.4	Confident	21 Å²	21	69 Å²	69	15%	0.147	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	1.6	-170	66.3	0	0	0	0	115.8	H218 T223 C224 T229 C234	H218-S227 VanDerWaalsContact CD2-CB 3.44Å; H218-S227 WeakPolarHBondContact CD2-CB 3.13Å; H218-S227 PolarHBondContact CD2-OG 2.91Å; H218-S227 VanDerWaalsContact CD2-OG 3.3Å; H218-S227 VanDerWaalsContact CE1-CB 3.43Å; H218-S227 WeakPolarHBondContact CE1-CB 3.18Å; H218-S227 WeakPolarHBondContact NE2-CB 3.49Å; H218-S227 PolarHBondContact NE2-OG 2.82Å; T223-S227 WeakPolarHBondContact O-CB 3.49Å; T223-S227 PolarHBondContact O-N 2.87Å; C224-S227 PolarHBondContact O-OG 2.8Å; S227-T229 PolarHBondContact O-N 2.87Å; S227-T229 VanDerWaalsContact O-N 3.17Å; S227-C234 PolarHBondContact OG-SG 3.06Å; S227-C234 VanDerWaalsContact OG-SG 3.37Å
228	A	79.9	Confident	88.7	Confident	66 Å²	66	69.5 Å²	69.5	55%	0.545	38%	0.382	S	S	.	.			trans	-56.8	123.1	-179.5	0	0	0	0	0	111	S226	S226-A228 PolarHBondContact O-N 2.99Å
229	T	78.8	Confident	88.8	Confident	86 Å²	86	73.4 Å²	73.4	53%	0.528	40%	0.395	S	S	.	.			trans	-104.9	-179.9	172.8	65.9	0	0	0	0	110	S227 N231 T232	S227-T229 PolarHBondContact O-N 2.87Å; S227-T229 VanDerWaalsContact O-N 3.17Å; T229-N231 PolarHBondContact O-N 2.88Å; T229-N231 PolarHBondContact OG1-N 2.94Å; T229-T232 PolarHBondContact N-O 2.8Å; T229-T232 PolarHBondContact OG1-N 2.92Å; T229-T232 PolarHBondContact OG1-O 2.89Å
230	S	73.4	Confident	89	Confident	115 Å²	115	67.9 Å²	67.9	80%	0.804	37%	0.368	S	S	*	.	S	Bend	trans	-61	-27.7	175.2	60.9	0	0	0	0	113.1
231	N	75.9	Confident	89	Confident	131 Å²	131	72 Å²	72	70%	0.701	39%	0.388	S	S	*	.	S	Bend	trans	-112.9	-22.8	-170	-60	-9.5	0	0	0	112.9	T229	T229-N231 PolarHBondContact O-N 2.88Å; T229-N231 PolarHBondContact OG1-N 2.94Å
232	T	85.8	Confident	89	Confident	28 Å²	28	72.6 Å²	72.6	17%	0.172	39%	0.386	C	S	.	.			trans	-128.4	121.3	-175.5	-52.2	0	0	0	0	110.6	C215 T229 V245 N247	C215-T232 VanDerWaalsContact SG-CG2 3.56Å; T229-T232 PolarHBondContact N-O 2.8Å; T229-T232 PolarHBondContact OG1-N 2.92Å; T229-T232 PolarHBondContact OG1-O 2.89Å; T232-V245 HydrophobicContact CG2-CG2 4.21Å; T232-N247 VanDerWaalsContact CA-OD1 3.27Å; T232-N247 WeakPolarHBondContact CA-OD1 3.48Å
233	R	91.5	Very high	89	Confident	130 Å²	130	66.7 Å²	66.7	49%	0.491	36%	0.359	S	S	.	.			trans	-101.6	136.3	168.4	-66.1	178.4	-176.7	-169.1	-6.3	108.7	D246 N247	R233-D246 WeakPolarHBondContact CB-O 3.26Å; R233-D246 PolarHBondContact O-N 3.34Å; R233-N247 PolarHBondContact N-OD1 3.13Å
234	C	93.2	Very high	89.1	Confident	23 Å²	23	64.2 Å²	64.2	16%	0.155	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	150.2	177.3	-54.3	0	0	0	0	110.4	C215 S227 C243 I244	C215-C234 WeakPolarHBondContact CA-SG 3.49Å; C215-C234 HydrophobicContact CB-CB 3.83Å; C215-C234 WeakPolarHBondContact CB-SG 3.49Å; C215-C234 VanDerWaalsContact SG-CA 3.56Å; C215-C234 WeakPolarHBondContact SG-CB 3.21Å; C215-C234 CovalentContact SG-SG 2.04Å; C215-C234 PolarHBondContact SG-SG 3.17Å; S227-C234 PolarHBondContact OG-SG 3.06Å; S227-C234 VanDerWaalsContact OG-SG 3.37Å; C234-C243 VanDerWaalsContact CB-SG 3.51Å; C234-I244 CarbonylContact C-O 3.49Å; C234-I244 VanDerWaalsContact CA-O 3.32Å; C234-I244 WeakPolarHBondContact CA-O 3.11Å
235	F	92.1	Very high	89.1	Confident	49 Å²	49	64.2 Å²	64.2	22%	0.215	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	137.3	179.3	168.9	-102.2	0	0	0	109.5	I244 D246 V256 C259	F235-I244 HydrophobicContact CB-CG1 4.42Å; F235-I244 HydrophobicContact CD1-CD1 4.06Å; F235-I244 HydrophobicContact CD1-CG1 3.97Å; F235-I244 PolarHBondContact N-O 3.24Å; F235-I244 WeakPolarHBondContact O-CG1 3.13Å; F235-I244 PolarHBondContact O-N 3.05Å; F235-D246 HydrophobicContact CB-CB 3.97Å; F235-V256 HydrophobicContact CD2-CG2 4.47Å; F235-V256 HydrophobicContact CE1-CG2 4.4Å; F235-V256 HydrophobicContact CE2-CG2 3.85Å; F235-V256 HydrophobicContact CZ-CB 4.31Å; F235-V256 HydrophobicContact CZ-CG2 3.81Å; F235-C259 HydrophobicContact CE1-CB 3.72Å; F235-C259 HydrophobicContact CZ-CB 4.3Å
236	W	94.5	Very high	89.3	Confident	17 Å²	17	58.6 Å²	58.6	6%	0.064	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	121.1	177.4	-176.2	-95.2	0	0	0	111.4	N219 S220 I221 C224 N241 C243	N219-W236 WeakPolarHBondContact O-CH2 3.25Å; S220-W236 VanDerWaalsContact C-CZ3 3.42Å; S220-W236 WeakPolarHBondContact O-CZ3 3.21Å; I221-W236 HydrophobicContact CB-CD2 4.42Å; I221-W236 HydrophobicContact CB-CG 4.35Å; I221-W236 VanDerWaalsContact CG1-CD1 3.5Å; I221-W236 HydrophobicContact CG1-CD2 3.76Å; I221-W236 HydrophobicContact CG1-CG 3.7Å; I221-W236 HydrophobicContact CG1-CZ2 4.18Å; C224-W236 HydrophobicContact CB-CB 4.41Å; C224-W236 HydrophobicContact CB-CE3 3.74Å; C224-W236 HydrophobicContact CB-CZ3 4.48Å; W236-N241 WeakPolarHBondContact CZ2-OD1 3.3Å; W236-C243 HydrophobicContact CE3-CB 4.01Å; W236-C243 HydrophobicContact CZ3-CB 4.26Å
237	C	95.5	Very high	89.3	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	99.9	175.7	-168.1	0	0	0	0	110.9	V39 R239 A240 N241 R242 I244 C259	V39-C237 HydrophobicContact CG1-CB 4.08Å; V39-C237 WeakPolarHBondContact CG1-SG 3.27Å; C237-R239 PolarHBondContact O-N 3.15Å; C237-A240 HydrophobicContact CB-CB 4.25Å; C237-A240 PolarHBondContact O-N 2.8Å; C237-N241 WeakPolarHBondContact O-CA 3.41Å; C237-N241 PolarHBondContact O-N 2.87Å; C237-R242 WeakPolarHBondContact CA-O 3.35Å; C237-R242 WeakPolarHBondContact CB-O 3.44Å; C237-R242 PolarHBondContact N-O 3.49Å; C237-R242 PolarHBondContact O-N 3.27Å; C237-I244 HydrophobicContact CB-CD1 4.36Å; C237-I244 HydrophobicContact CB-CG1 4.46Å; C237-I244 HydrophobicContact CB-CG2 4.44Å; C237-C259 VanDerWaalsContact CA-SG 3.56Å; C237-C259 HydrophobicContact CB-CB 3.8Å; C237-C259 WeakPolarHBondContact CB-SG 3.32Å; C237-C259 WeakPolarHBondContact SG-CA 3.39Å; C237-C259 WeakPolarHBondContact SG-CB 3.24Å; C237-C259 CovalentContact SG-SG 2.02Å; C237-C259 PolarHBondContact SG-SG 2.83Å
238	E	93.2	Very high	89.4	Confident	109 Å²	109	56.9 Å²	56.9	51%	0.509	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-60	-44.7	-179	-67.6	-172.9	169.4	0	0	112.6	A240 N241 I261	E238-A240 PolarHBondContact O-N 3.12Å; E238-N241 PolarHBondContact O-N 2.89Å; E238-N241 VanDerWaalsContact O-N 3.07Å; E238-I261 HydrophobicContact CB-CD1 3.88Å; E238-I261 HydrophobicContact CB-CG1 4Å
239	R	92.4	Very high	89.6	Confident	131 Å²	131	60.8 Å²	60.8	49%	0.494	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-53.2	-39.1	177.8	-179.3	-176.7	178.6	105	0.1	113.1	C237 G258 C259	C237-R239 PolarHBondContact O-N 3.15Å; R239-G258 WeakPolarHBondContact CD-O 3.44Å; R239-C259 VanDerWaalsContact CB-O 3.31Å; R239-C259 WeakPolarHBondContact CB-O 3Å; R239-C259 PolarHBondContact N-O 2.92Å
240	A	93.8	Very high	89.9	Confident	22 Å²	22	63.5 Å²	63.5	18%	0.182	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-98.5	-4.8	-177.7	0	0	0	0	0	113.3	V39 C237 E238 R242	V39-A240 HydrophobicContact CB-CB 4.18Å; V39-A240 HydrophobicContact CG1-CB 3.44Å; V39-A240 VanDerWaalsContact CG1-CB 3.44Å; C237-A240 HydrophobicContact CB-CB 4.25Å; C237-A240 PolarHBondContact O-N 2.8Å; E238-A240 PolarHBondContact O-N 3.12Å; A240-R242 VanDerWaalsContact C-N 3.29Å; A240-R242 HydrophobicContact CB-CB 4.29Å; A240-R242 VanDerWaalsContact O-CG 3.31Å; A240-R242 WeakPolarHBondContact O-CG 3.44Å; A240-R242 PolarHBondContact O-N 3.04Å
241	N	93.4	Very high	90.7	Very high	117 Å²	117	58.2 Å²	58.2	63%	0.626	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	46.9	-172.3	-167.3	56.1	0	0	0	112.6	W236 C237 E238	W236-N241 WeakPolarHBondContact CZ2-OD1 3.3Å; C237-N241 WeakPolarHBondContact O-CA 3.41Å; C237-N241 PolarHBondContact O-N 2.87Å; E238-N241 PolarHBondContact O-N 2.89Å; E238-N241 VanDerWaalsContact O-N 3.07Å
242	R	93	Very high	91.4	Very high	72 Å²	72	55.1 Å²	55.1	27%	0.272	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	149.6	-169.5	-78.5	169.6	-174.7	-78.5	-13.5	112.5	R37 C237 A240	R37-R242 VanDerWaalsContact CD-NH1 3.34Å; R37-R242 VanDerWaalsContact CD-NH2 3.3Å; C237-R242 WeakPolarHBondContact CA-O 3.35Å; C237-R242 WeakPolarHBondContact CB-O 3.44Å; C237-R242 PolarHBondContact N-O 3.49Å; C237-R242 PolarHBondContact O-N 3.27Å; A240-R242 VanDerWaalsContact C-N 3.29Å; A240-R242 HydrophobicContact CB-CB 4.29Å; A240-R242 VanDerWaalsContact O-CG 3.31Å; A240-R242 WeakPolarHBondContact O-CG 3.44Å; A240-R242 PolarHBondContact O-N 3.04Å
243	C	94.3	Very high	91.7	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.014	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	125.7	169.2	-168.8	0	0	0	0	111	Q49 C215 H218 C224 C234 W236	Q49-C243 PolarHBondContact NE2-O 3.26Å; Q49-C243 VanDerWaalsContact NE2-O 3.15Å; C215-C243 WeakPolarHBondContact O-CB 3.41Å; C215-C243 PolarHBondContact O-SG 3.42Å; H218-C243 HydrophobicContact CB-CB 4.05Å; H218-C243 VanDerWaalsContact O-CB 3.28Å; H218-C243 WeakPolarHBondContact O-CB 3.37Å; C224-C243 VanDerWaalsContact CA-SG 3.52Å; C224-C243 HydrophobicContact CB-CB 3.58Å; C224-C243 WeakPolarHBondContact CB-SG 3.32Å; C224-C243 VanDerWaalsContact SG-CA 3.52Å; C224-C243 WeakPolarHBondContact SG-CB 3.25Å; C224-C243 CovalentContact SG-SG 2.03Å; C224-C243 PolarHBondContact SG-SG 2.72Å; C234-C243 VanDerWaalsContact CB-SG 3.51Å; W236-C243 HydrophobicContact CE3-CB 4.01Å; W236-C243 HydrophobicContact CZ3-CB 4.26Å
244	I	94.9	Very high	91.7	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	157.1	-178.8	64.6	170.6	0	0	0	110.9	V39 F40 Y47 C234 F235 C237 K255	V39-I244 HydrophobicContact CG1-CG2 4Å; V39-I244 HydrophobicContact CG2-CG2 4.17Å; F40-I244 HydrophobicContact CE1-CD1 4.43Å; Y47-I244 HydrophobicContact CE1-CB 4.27Å; Y47-I244 HydrophobicContact CE1-CD1 4.26Å; Y47-I244 HydrophobicContact CE1-CG2 4.09Å; C234-I244 CarbonylContact C-O 3.49Å; C234-I244 VanDerWaalsContact CA-O 3.32Å; C234-I244 WeakPolarHBondContact CA-O 3.11Å; F235-I244 HydrophobicContact CB-CG1 4.42Å; F235-I244 HydrophobicContact CD1-CD1 4.06Å; F235-I244 HydrophobicContact CD1-CG1 3.97Å; F235-I244 PolarHBondContact N-O 3.24Å; F235-I244 WeakPolarHBondContact O-CG1 3.13Å; F235-I244 PolarHBondContact O-N 3.05Å; C237-I244 HydrophobicContact CB-CD1 4.36Å; C237-I244 HydrophobicContact CB-CG1 4.46Å; C237-I244 HydrophobicContact CB-CG2 4.44Å; I244-K255 HydrophobicContact CD1-CB 4.33Å; I244-K255 HydrophobicContact CD1-CD 4.33Å; I244-K255 HydrophobicContact CD1-CG 4.47Å
245	V	94.2	Very high	91.7	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	149.4	175.3	63.8	0	0	0	0	111.7	S54 E210 V211 T232 N247 K255	S54-V245 WeakPolarHBondContact OG-CG1 3.46Å; E210-V245 HydrophobicContact CB-CG1 4.44Å; E210-V245 HydrophobicContact CG-CG1 4Å; E210-V245 HydrophobicContact CG-CG2 4.27Å; V211-V245 WeakPolarHBondContact O-CG2 3.34Å; T232-V245 HydrophobicContact CG2-CG2 4.21Å; V245-N247 HydrophobicContact CG2-CB 4.48Å; V245-N247 WeakPolarHBondContact CG2-ND2 3.28Å; V245-K255 PolarHBondContact O-NZ 2.99Å
246	D	92.3	Very high	91.8	Very high	17 Å²	17	54 Å²	54	9%	0.091	26%	0.261	C	S	.	.			trans	-148	50.5	-177.7	-169	43	0	0	0	112.4	R233 F235 H252	R233-D246 WeakPolarHBondContact CB-O 3.26Å; R233-D246 PolarHBondContact O-N 3.34Å; F235-D246 HydrophobicContact CB-CB 3.97Å; D246-H252 IonicContact OD1-ND1 3.65Å; D246-H252 IonicContact OD2-CE1 3.47Å; D246-H252 PolarHBondContact OD2-CE1 2.85Å; D246-H252 IonicContact OD2-CG 3.67Å; D246-H252 IonicContact OD2-ND1 2.64Å; D246-H252 PolarHBondContact OD2-ND1 2.88Å
247	N	88.8	Confident	91.7	Very high	51 Å²	51	58 Å²	58	27%	0.273	28%	0.284	S	S	.	.			trans	-80.7	-32.2	179.9	-54.3	-36	0	0	0	111.6	E210 T232 R233 V245 K249	E210-N247 VanDerWaalsContact OE1-CA 3.29Å; E210-N247 WeakPolarHBondContact OE1-CA 3.42Å; E210-N247 WeakPolarHBondContact OE1-CB 3.45Å; E210-N247 PolarHBondContact OE1-N 2.87Å; T232-N247 VanDerWaalsContact CA-OD1 3.27Å; T232-N247 WeakPolarHBondContact CA-OD1 3.48Å; R233-N247 PolarHBondContact N-OD1 3.13Å; V245-N247 HydrophobicContact CG2-CB 4.48Å; V245-N247 WeakPolarHBondContact CG2-ND2 3.28Å; N247-K249 PolarHBondContact O-N 2.91Å
248	N	85.4	Confident	91.5	Very high	29 Å²	29	58.8 Å²	58.8	16%	0.155	29%	0.292	C	S	.	.			trans	-80.1	102.1	175.4	-171.2	-3.2	0	0	0	112.3	E210 D250 N251 H252	E210-N248 PolarHBondContact OE1-N 3Å; N248-D250 PolarHBondContact O-N 2.84Å; N248-D250 WeakPolarHBondContact OD1-CB 3.32Å; N248-D250 PolarHBondContact OD1-N 3.21Å; N248-N251 HydrophobicContact CB-CB 4.31Å; N248-N251 PolarHBondContact ND2-ND2 3.42Å; N248-N251 PolarHBondContact O-N 3.44Å; N248-H252 PolarHBondContact O-N 2.96Å
249	K	84.9	Confident	91.6	Very high	147 Å²	147	53.7 Å²	53.7	64%	0.639	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-55.7	-34.9	176.6	-64.5	-177.7	-175.9	175.4	0	113.5	N247 N251 H252	N247-K249 PolarHBondContact O-N 2.91Å; K249-N251 PolarHBondContact O-N 2.76Å; K249-H252 WeakPolarHBondContact O-CB 3.44Å; K249-H252 PolarHBondContact O-N 2.89Å; K249-H252 VanDerWaalsContact O-N 3.15Å
250	D	85.9	Confident	91.4	Very high	143 Å²	143	52.4 Å²	52.4	77%	0.765	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-68.2	-20.2	-178.4	-58.6	-25.2	0	0	0	112	N248	N248-D250 PolarHBondContact O-N 2.84Å; N248-D250 WeakPolarHBondContact OD1-CB 3.32Å; N248-D250 PolarHBondContact OD1-N 3.21Å
251	N	88.5	Confident	90.5	Very high	5 Å²	5	57.7 Å²	57.7	3%	0.027	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-101.3	-2.4	178.1	-67.7	-12.5	0	0	0	112.6	M56 R58 E208 N248 K249 F254 K255	M56-N251 HydrophobicContact CE-CB 4.24Å; M56-N251 HydrophobicContact SD-CB 4.25Å; R58-N251 VanDerWaalsContact CZ-OD1 3.24Å; R58-N251 PolarHBondContact NH1-OD1 3.18Å; R58-N251 PolarHBondContact NH2-OD1 3.01Å; E208-N251 PolarHBondContact OE2-ND2 3.21Å; E208-N251 VanDerWaalsContact OE2-ND2 3.15Å; N248-N251 HydrophobicContact CB-CB 4.31Å; N248-N251 PolarHBondContact ND2-ND2 3.42Å; N248-N251 PolarHBondContact O-N 3.44Å; K249-N251 PolarHBondContact O-N 2.76Å; N251-F254 WeakPolarHBondContact O-CB 3.03Å; N251-F254 PolarHBondContact O-N 2.75Å; N251-K255 WeakPolarHBondContact O-CG 3.47Å; N251-K255 PolarHBondContact O-N 3.17Å
252	H	91.3	Very high	89	Confident	66 Å²	66	54.3 Å²	54.3	31%	0.306	28%	0.284	S	S	.	.	H	α-helix	trans	-57.6	-60.2	-175.2	176.4	69.8	0	0	0	112	D246 N248 K249 F254 K255 V256	D246-H252 IonicContact OD1-ND1 3.65Å; D246-H252 IonicContact OD2-CE1 3.47Å; D246-H252 PolarHBondContact OD2-CE1 2.85Å; D246-H252 IonicContact OD2-CG 3.67Å; D246-H252 IonicContact OD2-ND1 2.64Å; D246-H252 PolarHBondContact OD2-ND1 2.88Å; N248-H252 PolarHBondContact O-N 2.96Å; K249-H252 WeakPolarHBondContact O-CB 3.44Å; K249-H252 PolarHBondContact O-N 2.89Å; K249-H252 VanDerWaalsContact O-N 3.15Å; H252-F254 PolarHBondContact O-N 2.95Å; H252-K255 PolarHBondContact O-N 2.97Å; H252-V256 WeakPolarHBondContact O-CG2 3.36Å; H252-V256 PolarHBondContact O-N 2.79Å
253	D	92	Very high	86.7	Confident	115 Å²	115	59 Å²	59	62%	0.615	32%	0.315	S	S	*	.	H	α-helix	trans	-58.6	-36	-178.1	-67	-15.5	0	0	0	111.7	V256 N257	D253-V256 PolarHBondContact O-N 3.3Å; D253-N257 WeakPolarHBondContact O-CB 3.4Å; D253-N257 PolarHBondContact O-N 3.04Å; D253-N257 PolarHBondContact O-ND2 3.47Å
254	F	92	Very high	84.3	Confident	55 Å²	55	66.7 Å²	66.7	24%	0.241	35%	0.353	C	S	.	.	H	α-helix	trans	-64.2	-45.8	176.3	-177.9	-91.1	0	0	0	112	F40 H45 M56 R58 N251 H252 N257 G258	F40-F254 HydrophobicContact CE2-CD1 4.31Å; F40-F254 AromaticContact CE2-CE1 3.79Å; F40-F254 HydrophobicContact CE2-CE1 3.79Å; F40-F254 HydrophobicContact CZ-CD1 4.45Å; F40-F254 HydrophobicContact CZ-CE1 4.3Å; H45-F254 HydrophobicContact CB-CE2 4.5Å; H45-F254 HydrophobicContact CB-CZ 3.65Å; H45-F254 AromaticContact CD2-CE2 3.57Å; H45-F254 AromaticContact CD2-CZ 3.29Å; H45-F254 WeakPolarHBondContact CD2-CZ 3.36Å; H45-F254 AromaticContact CG-CZ 3.6Å; M56-F254 HydrophobicContact CE-CD1 3.55Å; M56-F254 HydrophobicContact CE-CE1 3.79Å; M56-F254 HydrophobicContact CG-CE1 4.28Å; M56-F254 HydrophobicContact SD-CD1 3.68Å; M56-F254 HydrophobicContact SD-CE1 3.68Å; R58-F254 HydrophobicContact CG-CE1 4.43Å; R58-F254 HydrophobicContact CG-CZ 4.04Å; N251-F254 WeakPolarHBondContact O-CB 3.03Å; N251-F254 PolarHBondContact O-N 2.75Å; H252-F254 PolarHBondContact O-N 2.95Å; F254-N257 PolarHBondContact O-N 3.25Å; F254-G258 PolarHBondContact O-N 3.13Å
255	K	94.2	Very high	81.5	Confident	1 Å²	1	77.9 Å²	77.9	0%	0.004	40%	0.395	C	S	.	.	H	α-helix	trans	-63.9	-43.6	175.5	-71.2	175.5	-180	-179.8	0	111.3	F40 Y47 M56 E210 I244 V245 N251 H252 N257 G258 C259	F40-K255 HydrophobicContact CZ-CB 4.5Å; F40-K255 HydrophobicContact CZ-CG 4.27Å; Y47-K255 HydrophobicContact CE2-CD 4.46Å; M56-K255 HydrophobicContact CE-CD 4.25Å; M56-K255 HydrophobicContact CE-CG 3.59Å; E210-K255 IonicContact OE2-NZ 2.67Å; E210-K255 PolarHBondContact OE2-NZ 3.06Å; I244-K255 HydrophobicContact CD1-CB 4.33Å; I244-K255 HydrophobicContact CD1-CD 4.33Å; I244-K255 HydrophobicContact CD1-CG 4.47Å; V245-K255 PolarHBondContact O-NZ 2.99Å; N251-K255 WeakPolarHBondContact O-CG 3.47Å; N251-K255 PolarHBondContact O-N 3.17Å; H252-K255 PolarHBondContact O-N 2.97Å; K255-N257 PolarHBondContact O-N 2.92Å; K255-G258 PolarHBondContact O-N 2.71Å; K255-C259 VanDerWaalsContact O-CB 3.29Å; K255-C259 WeakPolarHBondContact O-CB 3.43Å; K255-C259 PolarHBondContact O-N 2.83Å; K255-C259 PolarHBondContact O-SG 3.43Å; K255-C259 VanDerWaalsContact O-SG 3.32Å
256	V	92.9	Very high	78.6	Confident	35 Å²	35	83.5 Å²	83.5	21%	0.212	43%	0.429	C	S	.	.	H	α-helix	trans	-56.4	-50.7	176.1	172.2	0	0	0	0	110.2	F235 H252 D253 G258 C259 Q260	F235-V256 HydrophobicContact CD2-CG2 4.47Å; F235-V256 HydrophobicContact CE1-CG2 4.4Å; F235-V256 HydrophobicContact CE2-CG2 3.85Å; F235-V256 HydrophobicContact CZ-CB 4.31Å; F235-V256 HydrophobicContact CZ-CG2 3.81Å; H252-V256 WeakPolarHBondContact O-CG2 3.36Å; H252-V256 PolarHBondContact O-N 2.79Å; D253-V256 PolarHBondContact O-N 3.3Å; V256-G258 PolarHBondContact O-N 2.9Å; V256-C259 PolarHBondContact O-N 2.98Å; V256-C259 VanDerWaalsContact O-N 3.1Å; V256-Q260 WeakPolarHBondContact O-CG 3.16Å; V256-Q260 PolarHBondContact O-N 3.46Å; V256-Q260 VanDerWaalsContact O-N 3.13Å
257	N	92.1	Very high	75.8	Confident	102 Å²	102	91 Å²	91	55%	0.545	46%	0.464	S	S	.	.	H	α-helix	trans	-62.3	-41	179.1	-70.8	-31.7	0	0	0	112.7	D253 F254 K255 C259	D253-N257 WeakPolarHBondContact O-CB 3.4Å; D253-N257 PolarHBondContact O-N 3.04Å; D253-N257 PolarHBondContact O-ND2 3.47Å; F254-N257 PolarHBondContact O-N 3.25Å; K255-N257 PolarHBondContact O-N 2.92Å; N257-C259 PolarHBondContact O-N 3.11Å
258	G	93	Very high	73	Confident	15 Å²	15	98 Å²	98	16%	0.155	49%	0.486	C	S	.	.	H	α-helix	trans	-64.2	-25	175.5	0	0	0	0	0	113.8	F40 R239 F254 K255 V256	F40-G258 VanDerWaalsContact CB-O 3.25Å; F40-G258 WeakPolarHBondContact CB-O 3.31Å; R239-G258 WeakPolarHBondContact CD-O 3.44Å; F254-G258 PolarHBondContact O-N 3.13Å; K255-G258 PolarHBondContact O-N 2.71Å; V256-G258 PolarHBondContact O-N 2.9Å
259	C	94	Very high	70.4	Confident	3 Å²	3	104 Å²	104	2%	0.02	52%	0.518	C	S	.	.	H	α-helix	trans	-97.6	-9.1	-176	-76.5	0	0	0	0	115.4	F235 C237 R239 K255 V256 N257	F235-C259 HydrophobicContact CE1-CB 3.72Å; F235-C259 HydrophobicContact CZ-CB 4.3Å; C237-C259 VanDerWaalsContact CA-SG 3.56Å; C237-C259 HydrophobicContact CB-CB 3.8Å; C237-C259 WeakPolarHBondContact CB-SG 3.32Å; C237-C259 WeakPolarHBondContact SG-CA 3.39Å; C237-C259 WeakPolarHBondContact SG-CB 3.24Å; C237-C259 CovalentContact SG-SG 2.02Å; C237-C259 PolarHBondContact SG-SG 2.83Å; R239-C259 VanDerWaalsContact CB-O 3.31Å; R239-C259 WeakPolarHBondContact CB-O 3Å; R239-C259 PolarHBondContact N-O 2.92Å; K255-C259 VanDerWaalsContact O-CB 3.29Å; K255-C259 WeakPolarHBondContact O-CB 3.43Å; K255-C259 PolarHBondContact O-N 2.83Å; K255-C259 PolarHBondContact O-SG 3.43Å; K255-C259 VanDerWaalsContact O-SG 3.32Å; V256-C259 PolarHBondContact O-N 2.98Å; V256-C259 VanDerWaalsContact O-N 3.1Å; N257-C259 PolarHBondContact O-N 3.11Å
260	Q	88.6	Confident	67.8	Low	103 Å²	103	105.4 Å²	105.4	48%	0.481	53%	0.527	S	S	.	.	S	Bend	trans	-66.6	137.4	175.5	-76.6	173.7	4.6	0	0	111.1	V256 G262	V256-Q260 WeakPolarHBondContact O-CG 3.16Å; V256-Q260 PolarHBondContact O-N 3.46Å; V256-Q260 VanDerWaalsContact O-N 3.13Å; Q260-G262 PolarHBondContact O-N 3.5Å
261	I	74.7	Confident	65.2	Low	134 Å²	134	102 Å²	102	69%	0.687	53%	0.525	S	S	*	.			trans	-80.1	70	165.2	-53.7	176.5	0	0	0	107.3	E238	E238-I261 HydrophobicContact CB-CD1 3.88Å; E238-I261 HydrophobicContact CB-CG1 4Å
262	G	62.1	Low	62.3	Low	45 Å²	45	109.8 Å²	109.8	46%	0.464	57%	0.567	S	S	.	*			trans	-104	141.1	179.3	0	0	0	0	0	112.1	Q260 M264	Q260-G262 PolarHBondContact O-N 3.5Å; G262-M264 VanDerWaalsContact C-N 3.27Å; G262-M264 PolarHBondContact O-N 3.06Å
263	N	44	Very low	59.4	Low	172 Å²	172	109.6 Å²	109.6	92%	0.92	58%	0.583	S	S	*	*			trans	-60.8	80.2	173.2	-81	-25	0	0	0	111.3	R265	N263-R265 PolarHBondContact O-N 3.49Å
264	M	43.6	Very low	56.3	Low	163 Å²	163	112.9 Å²	112.9	80%	0.803	60%	0.595	S	S	*	*			trans	-59.8	108.7	152.1	-81.8	-165	179.9	0	0	106	G262 T266	G262-M264 VanDerWaalsContact C-N 3.27Å; G262-M264 PolarHBondContact O-N 3.06Å; M264-T266 PolarHBondContact O-N 3.25Å
265	R	37.6	Very low	53.5	Low	234 Å²	234	120.8 Å²	120.8	88%	0.883	62%	0.623	S	S	*	*			trans	-44.9	115.6	171.3	-78.7	176.1	169.5	175.7	-3.4	108	N263 E267	N263-R265 PolarHBondContact O-N 3.49Å; R265-E267 PolarHBondContact O-N 3.43Å
266	T	31.9	Very low	50.2	Low	119 Å²	119	128.4 Å²	128.4	73%	0.73	66%	0.659	S	S	*	*			trans	6	84.5	157.9	39	0	0	0	0	115.2	M264 R268	M264-T266 PolarHBondContact O-N 3.25Å; T266-R268 VanDerWaalsContact C-N 3.32Å
267	E	34.4	Very low	47.2	Very low	174 Å²	174	132.2 Å²	132.2	81%	0.813	69%	0.687	S	S	*	*			trans	-101.4	73.2	141.1	-76.6	-174.6	174.1	0	0	106.4	R265 N269	R265-E267 PolarHBondContact O-N 3.43Å; E267-N269 PolarHBondContact O-N 3.06Å
268	R	30.2	Very low	44.1	Very low	198 Å²	198	133.9 Å²	133.9	75%	0.747	69%	0.691	S	S	*	*			trans	-75.7	82.9	166.9	-168.1	-168.5	-73.4	175.6	-3.1	106.2	T266 E270	T266-R268 VanDerWaalsContact C-N 3.32Å; R268-E270 HydrophobicContact CG-CG 4.45Å
269	N	31.4	Very low	41.2	Very low	154 Å²	154	142 Å²	142	82%	0.824	72%	0.724	S	S	*	*			trans	-98.3	101.1	155.6	-83.6	-19.9	0	0	0	107.2	E267 G271	E267-N269 PolarHBondContact O-N 3.06Å; N269-G271 PolarHBondContact O-N 2.75Å
270	E	29	Very low	38	Very low	178 Å²	178	148.6 Å²	148.6	83%	0.832	77%	0.765	S	S	*	*			trans	-55.5	106.1	165.6	-72.3	172.6	163.8	0	0	108.7	R268	R268-E270 HydrophobicContact CG-CG 4.45Å
271	G	31	Very low	35.3	Very low	70 Å²	70	150.4 Å²	150.4	72%	0.722	78%	0.777	S	S	*	*			trans	-130.3	78.5	169.7	0	0	0	0	0	108.1	N269 G273	N269-G271 PolarHBondContact O-N 2.75Å; G271-G273 PolarHBondContact O-N 3.27Å
272	N	28.4	Very low	33	Very low	170 Å²	170	148.6 Å²	148.6	91%	0.909	77%	0.774	S	S	*	*			trans	-70.8	82.2	172.1	-155.9	20.9	0	0	0	108
273	G	29.7	Very low	31.7	Very low	62 Å²	62	151.5 Å²	151.5	64%	0.639	79%	0.787	S	S	*	*			trans	-109.9	94.2	176.1	0	0	0	0	0	109.5	G271 R275	G271-G273 PolarHBondContact O-N 3.27Å; G273-R275 PolarHBondContact O-N 2.98Å
274	Q	27.4	Very low	31.1	Very low	184 Å²	184	147.5 Å²	147.5	86%	0.86	77%	0.773	S	S	*	*			trans	-54.4	107.2	158.4	-79.2	167	-68.1	0	0	107.2	E276	Q274-E276 PolarHBondContact O-N 2.54Å
275	R	32.8	Very low	30.8	Very low	220 Å²	220	148.7 Å²	148.7	83%	0.83	77%	0.769	S	S	*	*			trans	-74.8	98.5	172.6	-130.1	178.4	-174.4	-168	-0.7	106.2	D197 G273 S277	D197-R275 IonicContact OD2-NH2 3.21Å; D197-R275 PolarHBondContact OD2-NH2 3.08Å; G273-R275 PolarHBondContact O-N 2.98Å; R275-S277 PolarHBondContact O-N 2.95Å
276	E	26	Very low	30.6	Very low	162 Å²	162	143.5 Å²	143.5	76%	0.757	76%	0.759	S	S	*	*			trans	-54.5	121.2	169	-75.8	-179.9	155.5	0	0	109.2	Q274 H278	Q274-E276 PolarHBondContact O-N 2.54Å; E276-H278 VanDerWaalsContact C-N 3.26Å; E276-H278 PolarHBondContact O-N 3.1Å
277	S	28.8	Very low	30.6	Very low	114 Å²	114	145 Å²	145	80%	0.797	76%	0.762	S	S	*	*			trans	-73.1	80.8	170.1	56.6	0	0	0	0	109	R275	R275-S277 PolarHBondContact O-N 2.95Å
278	H	27.9	Very low	30.5	Very low	138 Å²	138	143.6 Å²	143.6	64%	0.639	76%	0.759	S	S	*	*			trans	-134.7	94.5	169	-78.5	-63.6	0	0	0	109.1	E276	E276-H278 VanDerWaalsContact C-N 3.26Å; E276-H278 PolarHBondContact O-N 3.1Å
279	H	31.4	Very low	30.6	Very low	185 Å²	185	137.3 Å²	137.3	86%	0.856	75%	0.745	S	S	*	*			trans	-164.5	80.3	139	-84.4	-50	0	0	0	108.1	L281	H279-L281 VanDerWaalsContact C-N 3.35Å; H279-L281 PolarHBondContact O-N 3Å; H279-L281 VanDerWaalsContact O-N 3.13Å
280	T	28.2	Very low	30.5	Very low	141 Å²	141	137 Å²	137	87%	0.865	74%	0.743	S	S	*	*			trans	-66.6	99.9	153.4	-21.6	0	0	0	0	105.9
281	L	30.9	Very low	30.9	Very low	141 Å²	141	138 Å²	138	74%	0.738	77%	0.765	S	S	*	*			trans	-65.1	136.8	168.8	-84	161.3	0	0	0	108.3	H279 S283	H279-L281 VanDerWaalsContact C-N 3.35Å; H279-L281 PolarHBondContact O-N 3Å; H279-L281 VanDerWaalsContact O-N 3.13Å; L281-S283 PolarHBondContact O-N 3.07Å
282	P	27.2	Very low	30.9	Very low	97 Å²	97	141.4 Å²	141.4	63%	0.63	77%	0.767	S	S	*	*			trans	-65.1	136.5	-177	-16.7	29.6	0	0	0	111.2	S284	P282-S284 PolarHBondContact O-N 3Å
283	S	33.9	Very low	31.1	Very low	106 Å²	106	139.9 Å²	139.9	74%	0.741	76%	0.759	S	S	*	*	G	3₁₀ helix	trans	-62.9	24.5	176.4	-53	0	0	0	0	115.5	L281	L281-S283 PolarHBondContact O-N 3.07Å
284	S	32.1	Very low	31.1	Very low	87 Å²	87	144.2 Å²	144.2	61%	0.608	77%	0.766	S	S	*	*	G	3₁₀ helix	trans	-85.2	0.9	-178.5	58.6	0	0	0	0	114.9	P282	P282-S284 PolarHBondContact O-N 3Å
285	Y	35.7	Very low	31.4	Very low	188 Å²	188	141.9 Å²	141.9	74%	0.737	76%	0.761	S	S	*	*	G	3₁₀ helix	trans	-111	0.8	175.3	-72.2	-80.5	0	0	0	114.9	N287	Y285-N287 PolarHBondContact O-N 2.76Å
286	L	34.3	Very low	31.3	Very low	125 Å²	125	137 Å²	137	65%	0.654	76%	0.756	S	S	*	*	G	3₁₀ helix	trans	-70	-11.9	173.5	-109.9	106.3	0	0	0	114
287	N	31.9	Very low	31.6	Very low	150 Å²	150	135.3 Å²	135.3	80%	0.802	76%	0.756	S	S	*	*	G	3₁₀ helix	trans	-100.9	19.2	-175.1	-75.6	-17.1	0	0	0	115.3	Y285	Y285-N287 PolarHBondContact O-N 2.76Å
288	L	32	Very low	31.8	Very low	145 Å²	145	136.9 Å²	136.9	76%	0.759	75%	0.753	S	S	*	*	G	3₁₀ helix	trans	-110.7	8.5	168.8	-81.2	161.7	0	0	0	113.6
289	C	32.4	Very low	32.1	Very low	66 Å²	66	136.8 Å²	136.8	45%	0.446	76%	0.762	S	S	.	*	S	Bend	trans	-127.6	28.8	-175.5	-75.4	0	0	0	0	114.8
290	L	29	Very low	32.2	Very low	147 Å²	147	132.8 Å²	132.8	77%	0.77	75%	0.754	S	S	*	*			trans	-131.4	134.3	162.2	-71.9	170.3	0	0	0	108.5
291	P	38.7	Very low	32.6	Very low	200 Å²	200	132 Å²	132	100%	1.299	74%	0.744	S	S	*	*			trans	-62	0	176.8	27.3	-33.8	0	0	0	112.5

Retrieved 291 of 291 residues in 276 ms (Link to these results)

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