A0AA82N8G2_SCHMA Loading...

Egg protein CP391S-like protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N8G2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 364 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	39.5	Very low	59.2	Low	214 Å²	214	125.9 Å²	125.9	100%	1.054	61%	0.611	S	S	*	*				0	109.7	0	-83.8	173.2	170.7	0	0	108.7	Y3	M1-Y3 HydrophobicContact CB-CD2 4.32Å; M1-Y3 PolarHBondContact O-N 3.46Å; M1-Y3 HydrophobicContact SD-CE2 4.18Å
2	R	50.3	Low	60.1	Low	239 Å²	239	123 Å²	123	90%	0.902	60%	0.599	S	S	*	*			trans	-81	98.9	165.2	-72.6	-177.6	178.6	177.2	-0.3	106.2	N4	R2-N4 PolarHBondContact O-N 3.44Å
3	Y	52.8	Low	60.7	Low	148 Å²	148	118.2 Å²	118.2	58%	0.58	58%	0.577	S	S	*	*			trans	-69.7	101.3	172.5	-104.5	-90.5	0	0	0	107.5	M1 F5	M1-Y3 HydrophobicContact CB-CD2 4.32Å; M1-Y3 PolarHBondContact O-N 3.46Å; M1-Y3 HydrophobicContact SD-CE2 4.18Å; Y3-F5 PolarHBondContact O-N 3.46Å; Y3-F5 VanDerWaalsContact O-N 3.15Å
4	N	58.2	Low	61.1	Low	150 Å²	150	119.2 Å²	119.2	80%	0.802	57%	0.573	S	S	*	*			trans	-74.5	99.4	168.8	-73.2	-20.8	0	0	0	107	R2 S6	R2-N4 PolarHBondContact O-N 3.44Å; N4-S6 PolarHBondContact O-N 3.37Å
5	F	54	Low	61.5	Low	113 Å²	113	116.9 Å²	116.9	50%	0.496	57%	0.565	S	S	.	*			trans	-58.5	128.4	169.6	-77.9	-84	0	0	0	109.2	Y3 L9	Y3-F5 PolarHBondContact O-N 3.46Å; Y3-F5 VanDerWaalsContact O-N 3.15Å; F5-L9 HydrophobicContact CD1-CD2 4.08Å; F5-L9 HydrophobicContact CE1-CD2 4.38Å
6	S	64.1	Low	61.9	Low	60 Å²	60	118.8 Å²	118.8	42%	0.42	57%	0.57	S	S	.	*			trans	-57	139.6	174.9	171	0	0	0	0	110.3	N4 S8 L9	N4-S6 PolarHBondContact O-N 3.37Å; S6-S8 PolarHBondContact O-N 3.18Å; S6-S8 VanDerWaalsContact O-N 3.07Å; S6-S8 PolarHBondContact OG-OG 3.35Å; S6-L9 WeakPolarHBondContact O-CB 3.4Å; S6-L9 PolarHBondContact O-N 3.13Å
7	P	67.6	Low	61.7	Low	98 Å²	98	120 Å²	120	64%	0.636	57%	0.572	S	S	*	*	H	α-helix	trans	-52.1	-31.1	177.1	-26.8	33.7	0	0	0	114	L9 W10 I11	P7-L9 VanDerWaalsContact C-N 3.3Å; P7-L9 PolarHBondContact O-N 3.43Å; P7-W10 WeakPolarHBondContact O-CB 3.46Å; P7-W10 PolarHBondContact O-N 3.43Å; P7-I11 WeakPolarHBondContact O-CG1 3.44Å; P7-I11 PolarHBondContact O-N 3.33Å
8	S	67.1	Low	61.5	Low	64 Å²	64	118.6 Å²	118.6	45%	0.448	57%	0.567	S	S	.	*	H	α-helix	trans	-61.3	-35.8	175.9	62.4	0	0	0	0	113.3	S6 I11 L12	S6-S8 PolarHBondContact O-N 3.18Å; S6-S8 VanDerWaalsContact O-N 3.07Å; S6-S8 PolarHBondContact OG-OG 3.35Å; S8-I11 PolarHBondContact O-N 3.35Å; S8-L12 PolarHBondContact O-N 3.39Å; S8-L12 VanDerWaalsContact O-N 3.07Å
9	L	61.4	Low	61.1	Low	74 Å²	74	121.4 Å²	121.4	39%	0.387	57%	0.572	S	S	.	*	H	α-helix	trans	-71	-36.1	177.1	-116.7	121.3	0	0	0	111.1	F5 S6 P7 L12 I13	F5-L9 HydrophobicContact CD1-CD2 4.08Å; F5-L9 HydrophobicContact CE1-CD2 4.38Å; S6-L9 WeakPolarHBondContact O-CB 3.4Å; S6-L9 PolarHBondContact O-N 3.13Å; P7-L9 VanDerWaalsContact C-N 3.3Å; P7-L9 PolarHBondContact O-N 3.43Å; L9-L12 PolarHBondContact O-N 3.47Å; L9-I13 HydrophobicContact CD2-CD1 4.37Å; L9-I13 WeakPolarHBondContact O-CB 3.08Å; L9-I13 WeakPolarHBondContact O-CD1 3.21Å; L9-I13 WeakPolarHBondContact O-CG1 3.45Å; L9-I13 PolarHBondContact O-N 3.34Å
10	W	64.3	Low	60.7	Low	121 Å²	121	117.9 Å²	117.9	46%	0.458	56%	0.56	S	S	.	*	H	α-helix	trans	-64.4	-43.1	172.6	-74.6	99.2	0	0	0	111.6	P7 L12 I13 Y14	P7-W10 WeakPolarHBondContact O-CB 3.46Å; P7-W10 PolarHBondContact O-N 3.43Å; W10-L12 VanDerWaalsContact C-N 3.33Å; W10-L12 PolarHBondContact O-N 3.19Å; W10-I13 PolarHBondContact O-N 3.02Å; W10-Y14 HydrophobicContact CB-CD2 4.29Å; W10-Y14 HydrophobicContact CB-CE2 4.32Å; W10-Y14 AromaticContact CE3-CE2 3.96Å; W10-Y14 HydrophobicContact CE3-CE2 3.96Å; W10-Y14 WeakPolarHBondContact O-CB 3.35Å; W10-Y14 WeakPolarHBondContact O-CD2 3.17Å; W10-Y14 PolarHBondContact O-N 3.32Å
11	I	71.9	Confident	60.5	Low	104 Å²	104	119.5 Å²	119.5	53%	0.533	56%	0.562	S	S	.	*	H	α-helix	trans	-60.3	-43.8	176.1	-65.4	164.7	0	0	0	110.8	P7 S8 Y14 L15	P7-I11 WeakPolarHBondContact O-CG1 3.44Å; P7-I11 PolarHBondContact O-N 3.33Å; S8-I11 PolarHBondContact O-N 3.35Å; I11-Y14 PolarHBondContact O-N 2.99Å; I11-L15 HydrophobicContact CG2-CD1 3.9Å; I11-L15 HydrophobicContact CG2-CG 4.44Å; I11-L15 WeakPolarHBondContact O-CB 3.26Å; I11-L15 VanDerWaalsContact O-CG 3.28Å; I11-L15 WeakPolarHBondContact O-CG 3.5Å; I11-L15 PolarHBondContact O-N 3.49Å
12	L	70	Confident	61.1	Low	91 Å²	91	116.6 Å²	116.6	48%	0.476	54%	0.543	S	S	.	.	H	α-helix	trans	-62.2	-48.9	175.1	-78.5	162.7	0	0	0	111.5	S8 L9 W10 Y14 L15 F16	S8-L12 PolarHBondContact O-N 3.39Å; S8-L12 VanDerWaalsContact O-N 3.07Å; L9-L12 PolarHBondContact O-N 3.47Å; W10-L12 VanDerWaalsContact C-N 3.33Å; W10-L12 PolarHBondContact O-N 3.19Å; L12-Y14 VanDerWaalsContact C-N 3.33Å; L12-Y14 PolarHBondContact O-N 3.02Å; L12-L15 PolarHBondContact O-N 3.33Å; L12-F16 HydrophobicContact CB-CD2 4.45Å; L12-F16 HydrophobicContact CD2-CE2 4.14Å; L12-F16 WeakPolarHBondContact O-CB 3.41Å; L12-F16 WeakPolarHBondContact O-CD2 3.48Å; L12-F16 PolarHBondContact O-N 3.36Å
13	I	67.8	Low	61.2	Low	60 Å²	60	111.9 Å²	111.9	31%	0.308	53%	0.526	S	S	.	.	H	α-helix	trans	-57.2	-47	176.1	-71.7	167	0	0	0	110.2	L9 W10 L15 F16 F17	L9-I13 HydrophobicContact CD2-CD1 4.37Å; L9-I13 WeakPolarHBondContact O-CB 3.08Å; L9-I13 WeakPolarHBondContact O-CD1 3.21Å; L9-I13 WeakPolarHBondContact O-CG1 3.45Å; L9-I13 PolarHBondContact O-N 3.34Å; W10-I13 PolarHBondContact O-N 3.02Å; I13-L15 PolarHBondContact O-N 3.07Å; I13-F16 PolarHBondContact O-N 2.94Å; I13-F17 HydrophobicContact CB-CD2 4.41Å; I13-F17 HydrophobicContact CG2-CD2 3.56Å; I13-F17 HydrophobicContact CG2-CE2 3.84Å; I13-F17 WeakPolarHBondContact O-CB 3.47Å; I13-F17 WeakPolarHBondContact O-CD2 3.34Å; I13-F17 PolarHBondContact O-N 3.06Å
14	Y	65.9	Low	61.1	Low	133 Å²	133	111.9 Å²	111.9	52%	0.522	53%	0.529	S	S	.	.	H	α-helix	trans	-61.5	-43.8	176.3	-81.4	-62.7	0	0	0	111.9	W10 I11 L12 F16 L18	W10-Y14 HydrophobicContact CB-CD2 4.29Å; W10-Y14 HydrophobicContact CB-CE2 4.32Å; W10-Y14 AromaticContact CE3-CE2 3.96Å; W10-Y14 HydrophobicContact CE3-CE2 3.96Å; W10-Y14 WeakPolarHBondContact O-CB 3.35Å; W10-Y14 WeakPolarHBondContact O-CD2 3.17Å; W10-Y14 PolarHBondContact O-N 3.32Å; I11-Y14 PolarHBondContact O-N 2.99Å; L12-Y14 VanDerWaalsContact C-N 3.33Å; L12-Y14 PolarHBondContact O-N 3.02Å; Y14-F16 VanDerWaalsContact C-N 3.35Å; Y14-F16 PolarHBondContact O-N 3.41Å; Y14-L18 HydrophobicContact CD1-CD1 3.39Å; Y14-L18 HydrophobicContact CD1-CG 4.12Å; Y14-L18 HydrophobicContact CE1-CD1 4.17Å; Y14-L18 HydrophobicContact CG-CD1 4.18Å; Y14-L18 WeakPolarHBondContact O-CA 3.48Å; Y14-L18 WeakPolarHBondContact O-CB 3.44Å; Y14-L18 PolarHBondContact O-N 3Å
15	L	67.8	Low	60.7	Low	85 Å²	85	107.6 Å²	107.6	45%	0.445	51%	0.506	S	S	.	.	H	α-helix	trans	-62.1	-41.8	174	-73.3	165.9	0	0	0	111.4	I11 L12 I13 W19	I11-L15 HydrophobicContact CG2-CD1 3.9Å; I11-L15 HydrophobicContact CG2-CG 4.44Å; I11-L15 WeakPolarHBondContact O-CB 3.26Å; I11-L15 VanDerWaalsContact O-CG 3.28Å; I11-L15 WeakPolarHBondContact O-CG 3.5Å; I11-L15 PolarHBondContact O-N 3.49Å; L12-L15 PolarHBondContact O-N 3.33Å; I13-L15 PolarHBondContact O-N 3.07Å; L15-W19 HydrophobicContact CD2-CE3 4.03Å; L15-W19 HydrophobicContact CD2-CZ3 4.41Å; L15-W19 WeakPolarHBondContact O-CB 3.22Å; L15-W19 PolarHBondContact O-N 3.35Å
16	F	67.3	Low	61.2	Low	147 Å²	147	105.4 Å²	105.4	65%	0.645	50%	0.504	S	S	*	.	H	α-helix	trans	-72.6	-33.4	-179.2	-85.7	-71.4	0	0	0	113.9	L12 I13 Y14 P20	L12-F16 HydrophobicContact CB-CD2 4.45Å; L12-F16 HydrophobicContact CD2-CE2 4.14Å; L12-F16 WeakPolarHBondContact O-CB 3.41Å; L12-F16 WeakPolarHBondContact O-CD2 3.48Å; L12-F16 PolarHBondContact O-N 3.36Å; I13-F16 PolarHBondContact O-N 2.94Å; Y14-F16 VanDerWaalsContact C-N 3.35Å; Y14-F16 PolarHBondContact O-N 3.41Å; F16-P20 WeakPolarHBondContact O-CD 3.41Å; F16-P20 WeakPolarHBondContact O-CG 3.38Å
17	F	58.9	Low	61.7	Low	139 Å²	139	103.6 Å²	103.6	61%	0.61	49%	0.489	S	S	*	.	H	α-helix	trans	-96.4	-41.7	-178.8	-71.3	-75.3	0	0	0	113.1	I13 Y21	I13-F17 HydrophobicContact CB-CD2 4.41Å; I13-F17 HydrophobicContact CG2-CD2 3.56Å; I13-F17 HydrophobicContact CG2-CE2 3.84Å; I13-F17 WeakPolarHBondContact O-CB 3.47Å; I13-F17 WeakPolarHBondContact O-CD2 3.34Å; I13-F17 PolarHBondContact O-N 3.06Å; F17-Y21 WeakPolarHBondContact O-CB 3.43Å; F17-Y21 PolarHBondContact O-N 3.49Å
18	L	58.1	Low	62.5	Low	94 Å²	94	102.2 Å²	102.2	49%	0.492	48%	0.477	S	S	.	.	H	α-helix	trans	-78.4	-33.8	-179.7	-70.4	167	0	0	0	112.8	Y14 Y21 K22	Y14-L18 HydrophobicContact CD1-CD1 3.39Å; Y14-L18 HydrophobicContact CD1-CG 4.12Å; Y14-L18 HydrophobicContact CE1-CD1 4.17Å; Y14-L18 HydrophobicContact CG-CD1 4.18Å; Y14-L18 WeakPolarHBondContact O-CA 3.48Å; Y14-L18 WeakPolarHBondContact O-CB 3.44Å; Y14-L18 PolarHBondContact O-N 3Å; L18-Y21 PolarHBondContact O-N 2.87Å; L18-K22 WeakPolarHBondContact O-CB 3.46Å; L18-K22 PolarHBondContact O-N 3.45Å
19	W	54.4	Low	63.3	Low	172 Å²	172	99.1 Å²	99.1	65%	0.652	46%	0.455	S	S	*	.	H	α-helix	trans	-65	-48.6	-178.2	-170.4	-61.5	0	0	0	112.1	L15 R23	L15-W19 HydrophobicContact CD2-CE3 4.03Å; L15-W19 HydrophobicContact CD2-CZ3 4.41Å; L15-W19 WeakPolarHBondContact O-CB 3.22Å; L15-W19 PolarHBondContact O-N 3.35Å; W19-R23 WeakPolarHBondContact O-CB 3.42Å; W19-R23 PolarHBondContact O-N 3.32Å
20	P	53.4	Low	64.5	Low	52 Å²	52	97.2 Å²	97.2	34%	0.338	45%	0.447	S	S	.	.	H	α-helix	trans	-65.4	-43	174.3	-18.4	33.4	0	0	0	110.6	F16 K22 R23 F24	F16-P20 WeakPolarHBondContact O-CD 3.41Å; F16-P20 WeakPolarHBondContact O-CG 3.38Å; P20-K22 VanDerWaalsContact C-N 3.33Å; P20-K22 PolarHBondContact O-N 3.43Å; P20-R23 CarbonylContact O-C 3.54Å; P20-R23 PolarHBondContact O-N 2.94Å; P20-R23 VanDerWaalsContact O-N 3.1Å; P20-F24 HydrophobicContact CB-CD2 4.12Å; P20-F24 HydrophobicContact CB-CE2 4.1Å; P20-F24 WeakPolarHBondContact O-CB 3.3Å; P20-F24 WeakPolarHBondContact O-CD2 3.15Å; P20-F24 PolarHBondContact O-N 3.07Å
21	Y	55.1	Low	65.5	Low	151 Å²	151	98.3 Å²	98.3	59%	0.592	46%	0.455	S	S	*	.	H	α-helix	trans	-57.7	-44.9	179.1	-179.5	-97.8	0	0	0	112.3	F17 L18 F24 N25	F17-Y21 WeakPolarHBondContact O-CB 3.43Å; F17-Y21 PolarHBondContact O-N 3.49Å; L18-Y21 PolarHBondContact O-N 2.87Å; Y21-F24 PolarHBondContact O-N 3.41Å; Y21-N25 WeakPolarHBondContact CE2-ND2 3.03Å; Y21-N25 WeakPolarHBondContact O-CB 3.28Å; Y21-N25 PolarHBondContact O-N 3.07Å; Y21-N25 PolarHBondContact OH-ND2 3.05Å
22	K	52.8	Low	66.3	Low	153 Å²	153	96.6 Å²	96.6	67%	0.665	45%	0.447	S	S	*	.	H	α-helix	trans	-64.4	-43.3	175.7	-164.2	174.7	-176.8	-178.9	0	110.4	L18 P20 N25 C26	L18-K22 WeakPolarHBondContact O-CB 3.46Å; L18-K22 PolarHBondContact O-N 3.45Å; P20-K22 VanDerWaalsContact C-N 3.33Å; P20-K22 PolarHBondContact O-N 3.43Å; K22-N25 CarbonylContact O-C 3.55Å; K22-N25 PolarHBondContact O-N 3.33Å; K22-C26 WeakPolarHBondContact O-CA 3.42Å; K22-C26 WeakPolarHBondContact O-CB 3.41Å; K22-C26 PolarHBondContact O-N 3.15Å; K22-C26 PolarHBondContact O-SG 3.4Å
23	R	53	Low	67	Low	141 Å²	141	95 Å²	95	53%	0.532	44%	0.443	S	S	.	.	H	α-helix	trans	-65.5	-37.6	177.6	-166.9	175.9	-177.3	164.7	3.5	113.2	W19 P20	W19-R23 WeakPolarHBondContact O-CB 3.42Å; W19-R23 PolarHBondContact O-N 3.32Å; P20-R23 CarbonylContact O-C 3.54Å; P20-R23 PolarHBondContact O-N 2.94Å; P20-R23 VanDerWaalsContact O-N 3.1Å
24	F	49.6	Very low	68	Low	147 Å²	147	98.5 Å²	98.5	65%	0.645	46%	0.462	S	S	*	.	H	α-helix	trans	-70.7	-36.9	176.2	-80.1	-68.9	0	0	0	111.9	P20 Y21	P20-F24 HydrophobicContact CB-CD2 4.12Å; P20-F24 HydrophobicContact CB-CE2 4.1Å; P20-F24 WeakPolarHBondContact O-CB 3.3Å; P20-F24 WeakPolarHBondContact O-CD2 3.15Å; P20-F24 PolarHBondContact O-N 3.07Å; Y21-F24 PolarHBondContact O-N 3.41Å
25	N	49.6	Very low	69	Low	60 Å²	60	94 Å²	94	32%	0.321	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	14.4	176.4	-71.8	-27.4	0	0	0	114.1	Y21 K22 N27 K31	Y21-N25 WeakPolarHBondContact CE2-ND2 3.03Å; Y21-N25 WeakPolarHBondContact O-CB 3.28Å; Y21-N25 PolarHBondContact O-N 3.07Å; Y21-N25 PolarHBondContact OH-ND2 3.05Å; K22-N25 CarbonylContact O-C 3.55Å; K22-N25 PolarHBondContact O-N 3.33Å; N25-N27 VanDerWaalsContact C-N 3.31Å; N25-N27 PolarHBondContact O-N 3.25Å; N25-K31 WeakPolarHBondContact O-CE 3.02Å
26	C	65.1	Low	70	Confident	68 Å²	68	90.2 Å²	90.2	46%	0.459	43%	0.427	S	S	.	.			trans	-78.8	-10.6	-174.4	-107.4	0	0	0	0	113.9	K22	K22-C26 WeakPolarHBondContact O-CA 3.42Å; K22-C26 WeakPolarHBondContact O-CB 3.41Å; K22-C26 PolarHBondContact O-N 3.15Å; K22-C26 PolarHBondContact O-SG 3.4Å
27	N	75.1	Confident	71	Confident	21 Å²	21	88.8 Å²	88.8	11%	0.112	43%	0.426	C	S	.	.			trans	-79.9	131.7	-178.7	-167.9	12	0	0	0	110.4	N25 I29 C30 R192	N25-N27 VanDerWaalsContact C-N 3.31Å; N25-N27 PolarHBondContact O-N 3.25Å; N27-I29 PolarHBondContact O-N 3.04Å; N27-C30 WeakPolarHBondContact O-CB 3.23Å; N27-C30 PolarHBondContact O-N 3.33Å; N27-R192 PolarHBondContact ND2-NH1 3.5Å; N27-R192 PolarHBondContact OD1-NH1 2.69Å; N27-R192 PolarHBondContact OD1-NH2 3.45Å
28	D	83.5	Confident	72.5	Confident	69 Å²	69	86.1 Å²	86.1	37%	0.369	41%	0.412	S	S	.	.	H	α-helix	trans	-62.4	-31.9	-177.2	-52.9	-47.1	0	0	0	111.7	C30 K31 N32 L35 Y54	D28-C30 VanDerWaalsContact C-N 3.27Å; D28-C30 PolarHBondContact O-N 3.06Å; D28-K31 CarbonylContact O-C 3.44Å; D28-K31 WeakPolarHBondContact O-CB 3.36Å; D28-K31 PolarHBondContact O-N 3.32Å; D28-N32 PolarHBondContact O-N 2.89Å; D28-L35 HydrophobicContact CB-CD1 3.8Å; D28-Y54 HydrophobicContact CB-CE2 4.23Å; D28-Y54 PolarHBondContact OD2-OH 3.21Å
29	I	84.8	Confident	74.3	Confident	0 Å²	0	86 Å²	86	0%	0	41%	0.409	C	S	.	.	H	α-helix	trans	-62.3	-34.6	175	-54.2	-161.5	0	0	0	111.7	N27 K31 N32 P33 L35 L36 Y54 I194 H200	N27-I29 PolarHBondContact O-N 3.04Å; I29-K31 PolarHBondContact O-N 3.11Å; I29-N32 CarbonylContact O-C 3.59Å; I29-N32 PolarHBondContact O-N 3.27Å; I29-P33 WeakPolarHBondContact O-CA 3.48Å; I29-L35 HydrophobicContact CG1-CB 4.02Å; I29-L36 HydrophobicContact CG2-CB 4Å; I29-L36 HydrophobicContact CG2-CD1 3.98Å; I29-Y54 HydrophobicContact CD1-CD1 3.62Å; I29-Y54 HydrophobicContact CD1-CE1 3.74Å; I29-Y54 HydrophobicContact CD1-CG 4.24Å; I29-Y54 HydrophobicContact CG1-CD1 4.09Å; I29-Y54 HydrophobicContact CG1-CE1 3.81Å; I29-I194 HydrophobicContact CB-CD1 4.08Å; I29-I194 HydrophobicContact CD1-CD1 3.6Å; I29-I194 HydrophobicContact CG1-CD1 4.23Å; I29-I194 HydrophobicContact CG2-CD1 4.07Å; I29-H200 HydrophobicContact CD1-CB 3.75Å
30	C	85.8	Confident	76.2	Confident	33 Å²	33	79.7 Å²	79.7	22%	0.223	39%	0.389	C	S	.	.	H	α-helix	trans	-67	-25.6	175	-52.4	0	0	0	0	112.2	N27 D28 C196	N27-C30 WeakPolarHBondContact O-CB 3.23Å; N27-C30 PolarHBondContact O-N 3.33Å; D28-C30 VanDerWaalsContact C-N 3.27Å; D28-C30 PolarHBondContact O-N 3.06Å; C30-C196 VanDerWaalsContact CA-SG 3.56Å; C30-C196 HydrophobicContact CB-CB 3.97Å; C30-C196 WeakPolarHBondContact CB-SG 3.48Å; C30-C196 WeakPolarHBondContact SG-CB 3.32Å; C30-C196 CovalentContact SG-SG 2.01Å; C30-C196 PolarHBondContact SG-SG 3.48Å
31	K	86.5	Confident	78.3	Confident	144 Å²	144	78.9 Å²	78.9	63%	0.626	38%	0.383	S	S	*	.	H	α-helix	trans	-91.5	-31.9	180	-61.9	175.2	-172.4	159.9	0	111.8	N25 D28 I29	N25-K31 WeakPolarHBondContact O-CE 3.02Å; D28-K31 CarbonylContact O-C 3.44Å; D28-K31 WeakPolarHBondContact O-CB 3.36Å; D28-K31 PolarHBondContact O-N 3.32Å; I29-K31 PolarHBondContact O-N 3.11Å
32	N	87.7	Confident	80.2	Confident	68 Å²	68	71.7 Å²	71.7	36%	0.364	35%	0.354	S	S	.	.			trans	-135	89.4	179.7	-175.7	4.5	0	0	0	109.4	D28 I29 D34 L35	D28-N32 PolarHBondContact O-N 2.89Å; I29-N32 CarbonylContact O-C 3.59Å; I29-N32 PolarHBondContact O-N 3.27Å; N32-D34 PolarHBondContact O-N 2.96Å; N32-D34 VanDerWaalsContact O-N 3.12Å; N32-D34 WeakPolarHBondContact OD1-CB 3.11Å; N32-D34 PolarHBondContact OD1-N 3.39Å; N32-L35 HydrophobicContact CB-CD1 4.03Å; N32-L35 HydrophobicContact CB-CG 4.13Å; N32-L35 WeakPolarHBondContact O-CB 3.19Å; N32-L35 PolarHBondContact O-N 2.98Å; N32-L35 VanDerWaalsContact O-N 3.12Å
33	P	85.8	Confident	82.1	Confident	59 Å²	59	66.4 Å²	66.4	38%	0.383	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-59.2	-20.2	179	-26.6	36.2	0	0	0	114.3	I29 L35 L36	I29-P33 WeakPolarHBondContact O-CA 3.48Å; P33-L35 PolarHBondContact O-N 3.44Å; P33-L36 WeakPolarHBondContact O-CB 3.49Å; P33-L36 PolarHBondContact O-N 2.84Å
34	D	87.8	Confident	84.2	Confident	132 Å²	132	63.3 Å²	63.3	71%	0.706	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-63.5	-24.5	177.4	-61.9	-25.4	0	0	0	112	N32 L36 Y38	N32-D34 PolarHBondContact O-N 2.96Å; N32-D34 VanDerWaalsContact O-N 3.12Å; N32-D34 WeakPolarHBondContact OD1-CB 3.11Å; N32-D34 PolarHBondContact OD1-N 3.39Å; D34-L36 PolarHBondContact O-N 3.4Å; D34-Y38 PolarHBondContact O-N 3.28Å
35	L	87.3	Confident	86.3	Confident	39 Å²	39	59.8 Å²	59.8	20%	0.204	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-66.4	-18.7	174.2	-63.5	176.8	0	0	0	113	D28 I29 N32 P33 N37 Y38 Y54	D28-L35 HydrophobicContact CB-CD1 3.8Å; I29-L35 HydrophobicContact CG1-CB 4.02Å; N32-L35 HydrophobicContact CB-CD1 4.03Å; N32-L35 HydrophobicContact CB-CG 4.13Å; N32-L35 WeakPolarHBondContact O-CB 3.19Å; N32-L35 PolarHBondContact O-N 2.98Å; N32-L35 VanDerWaalsContact O-N 3.12Å; P33-L35 PolarHBondContact O-N 3.44Å; L35-N37 VanDerWaalsContact C-N 3.35Å; L35-N37 PolarHBondContact O-N 3.41Å; L35-Y38 PolarHBondContact O-N 2.79Å; L35-Y54 HydrophobicContact CB-CD2 4.06Å; L35-Y54 HydrophobicContact CB-CG 4.42Å; L35-Y54 HydrophobicContact CD1-CD2 4.04Å; L35-Y54 HydrophobicContact CD1-CE2 3.87Å; L35-Y54 HydrophobicContact CD2-CD2 4.2Å; L35-Y54 HydrophobicContact CG-CD2 4.33Å
36	L	87.8	Confident	88.5	Confident	5 Å²	5	64.2 Å²	64.2	3%	0.026	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-61.9	-42.1	-177.5	-175.5	72.2	0	0	0	112.3	I29 P33 D34 R198 H200	I29-L36 HydrophobicContact CG2-CB 4Å; I29-L36 HydrophobicContact CG2-CD1 3.98Å; P33-L36 WeakPolarHBondContact O-CB 3.49Å; P33-L36 PolarHBondContact O-N 2.84Å; D34-L36 PolarHBondContact O-N 3.4Å; L36-R198 VanDerWaalsContact CD1-O 3.24Å; L36-R198 WeakPolarHBondContact CD1-O 3.5Å; L36-R198 HydrophobicContact CD2-CB 3.93Å; L36-H200 HydrophobicContact CD1-CB 3.93Å; L36-H200 PolarHBondContact O-ND1 3.15Å
37	N	88.5	Confident	89.9	Confident	117 Å²	117	64.4 Å²	64.4	63%	0.626	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-114	18.2	-178.4	-55.5	-53.5	0	0	0	111.9	L35 E39	L35-N37 VanDerWaalsContact C-N 3.35Å; L35-N37 PolarHBondContact O-N 3.41Å; N37-E39 PolarHBondContact O-N 3.19Å; N37-E39 VanDerWaalsContact O-N 3.12Å
38	Y	91.8	Very high	91	Very high	83 Å²	83	65 Å²	65	33%	0.325	34%	0.336	S	S	.	.			trans	-62.9	117	-179.2	173.8	-93.8	0	0	0	110.1	D34 L35 L52 H53	D34-Y38 PolarHBondContact O-N 3.28Å; L35-Y38 PolarHBondContact O-N 2.79Å; Y38-L52 HydrophobicContact CE1-CB 4.42Å; Y38-H53 WeakPolarHBondContact O-CA 3.19Å
39	E	95.5	Very high	91.6	Very high	92 Å²	92	62.3 Å²	62.3	43%	0.43	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	127.9	172	174.8	174.7	-140.5	0	0	108.4	N37 V41 R49 L52 H53	N37-E39 PolarHBondContact O-N 3.19Å; N37-E39 VanDerWaalsContact O-N 3.12Å; E39-V41 HydrophobicContact CG-CG2 4.1Å; E39-R49 IonicContact OE1-CZ 3.41Å; E39-R49 VanDerWaalsContact OE1-CZ 3.32Å; E39-R49 IonicContact OE1-NH1 3.85Å; E39-R49 PolarHBondContact OE1-NH1 2.81Å; E39-R49 IonicContact OE1-NH2 2.63Å; E39-R49 PolarHBondContact OE1-NH2 2.83Å; E39-R49 IonicContact OE2-NH2 3.36Å; E39-L52 CarbonylContact C-O 3.56Å; E39-L52 WeakPolarHBondContact CA-O 3.2Å; E39-H53 VanDerWaalsContact CG-CE1 3.43Å; E39-H53 WeakPolarHBondContact CG-CE1 3.48Å; E39-H53 IonicContact OE1-CE1 3.26Å; E39-H53 PolarHBondContact OE1-CE1 3.2Å; E39-H53 IonicContact OE1-NE2 3.92Å
40	N	94.7	Very high	92.2	Very high	40 Å²	40	62.3 Å²	62.3	21%	0.214	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	106.3	169.7	-169.7	-16	0	0	0	110.1	I42 S51 L52 K248 G249	N40-I42 PolarHBondContact O-N 3.34Å; N40-S51 CarbonylContact O-C 3.58Å; N40-S51 VanDerWaalsContact O-CA 3.26Å; N40-S51 WeakPolarHBondContact O-CA 3.36Å; N40-L52 PolarHBondContact N-O 3.32Å; N40-L52 PolarHBondContact O-N 3.47Å; N40-K248 PolarHBondContact ND2-O 3.42Å; N40-G249 VanDerWaalsContact ND2-CA 3.31Å; N40-G249 WeakPolarHBondContact ND2-CA 3.38Å; N40-G249 PolarHBondContact ND2-O 3.44Å; N40-G249 VanDerWaalsContact ND2-O 3.13Å
41	V	96	Very high	92.8	Very high	35 Å²	35	60.8 Å²	60.8	21%	0.212	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	105.4	178.2	-176.2	0	0	0	0	109.9	E39 E44 R49 K248	E39-V41 HydrophobicContact CG-CG2 4.1Å; V41-E44 HydrophobicContact CG1-CB 3.85Å; V41-R49 HydrophobicContact CG1-CG 4.33Å; V41-R49 VanDerWaalsContact CG2-NH2 3.3Å; V41-K248 WeakPolarHBondContact O-CE 3.15Å; V41-K248 PolarHBondContact O-NZ 2.77Å
42	I	94.8	Very high	93.2	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	-47.1	179.7	-47	-164.7	0	0	0	110.4	N40 Y50 L52 C246 K248 D267	N40-I42 PolarHBondContact O-N 3.34Å; I42-Y50 HydrophobicContact CB-CD1 4.07Å; I42-Y50 HydrophobicContact CD1-CD1 3.71Å; I42-Y50 HydrophobicContact CD1-CE1 3.58Å; I42-Y50 HydrophobicContact CG1-CD1 4Å; I42-Y50 HydrophobicContact CG1-CE1 4.33Å; I42-Y50 PolarHBondContact N-O 3.48Å; I42-L52 HydrophobicContact CD1-CD1 3.82Å; I42-L52 HydrophobicContact CD1-CD2 4.2Å; I42-L52 HydrophobicContact CD1-CG 3.77Å; I42-L52 HydrophobicContact CG1-CD1 4.45Å; I42-L52 HydrophobicContact CG1-CG 4.16Å; I42-C246 HydrophobicContact CD1-CB 3.85Å; I42-K248 HydrophobicContact CG2-CB 4.19Å; I42-K248 WeakPolarHBondContact O-CD 3.43Å; I42-K248 WeakPolarHBondContact O-CE 3.25Å; I42-K248 PolarHBondContact O-NZ 2.95Å; I42-D267 VanDerWaalsContact CG2-O 3.26Å; I42-D267 WeakPolarHBondContact CG2-O 3.33Å
43	I	94.4	Very high	93.6	Very high	41 Å²	41	51.3 Å²	51.3	21%	0.21	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	141.3	178	-173.6	177	0	0	0	109.9	Y48 R49 Y50 V270	I43-Y48 HydrophobicContact CD1-CD1 4.44Å; I43-Y48 HydrophobicContact CG2-CD1 3.85Å; I43-Y48 HydrophobicContact CG2-CE1 3.77Å; I43-R49 CarbonylContact O-C 3.56Å; I43-R49 VanDerWaalsContact O-CA 3.29Å; I43-R49 WeakPolarHBondContact O-CA 3.48Å; I43-Y50 PolarHBondContact N-O 3.25Å; I43-Y50 PolarHBondContact O-N 3.2Å; I43-V270 HydrophobicContact CB-CG2 3.85Å; I43-V270 HydrophobicContact CD1-CG2 3.8Å; I43-V270 HydrophobicContact CG1-CG2 4.11Å; I43-V270 HydrophobicContact CG2-CG2 4.46Å
44	E	95.3	Very high	93.9	Very high	76 Å²	76	49.5 Å²	49.5	36%	0.355	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	128.4	172	-168.8	170	141.5	0	0	108.9	V41 Y48 R49 K207 W208	V41-E44 HydrophobicContact CG1-CB 3.85Å; E44-Y48 CarbonylContact C-O 3.47Å; E44-Y48 WeakPolarHBondContact CA-O 3.36Å; E44-R49 HydrophobicContact CB-CG 4.23Å; E44-R49 HydrophobicContact CG-CB 4.24Å; E44-R49 HydrophobicContact CG-CG 4Å; E44-R49 WeakPolarHBondContact OE2-CD 2.92Å; E44-R49 IonicContact OE2-CZ 3.41Å; E44-R49 IonicContact OE2-NE 3.29Å; E44-R49 PolarHBondContact OE2-NE 2.93Å; E44-R49 IonicContact OE2-NH2 3.67Å; E44-K207 WeakPolarHBondContact OE1-CE 3.38Å; E44-K207 IonicContact OE1-NZ 3.14Å; E44-K207 PolarHBondContact OE1-NZ 3.3Å; E44-W208 HydrophobicContact CG-CZ2 4.05Å
45	N	94.7	Very high	94.1	Very high	74 Å²	74	45.3 Å²	45.3	40%	0.396	23%	0.228	S	C	.	.			trans	-138	-168.2	166.8	66.7	36.1	0	0	0	108.3	T47 Y48 W208	N45-T47 VanDerWaalsContact C-N 3.28Å; N45-T47 PolarHBondContact O-N 3.4Å; N45-T47 PolarHBondContact OD1-N 3.31Å; N45-T47 PolarHBondContact OD1-OG1 2.99Å; N45-Y48 PolarHBondContact N-O 2.89Å; N45-Y48 WeakPolarHBondContact OD1-CA 3.37Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.37Å; N45-Y48 PolarHBondContact OD1-N 3.26Å; N45-Y48 PolarHBondContact OD1-O 3.42Å; N45-W208 WeakPolarHBondContact O-CH2 3.34Å; N45-W208 WeakPolarHBondContact O-CZ2 3.47Å
46	D	94.7	Very high	94.5	Very high	153 Å²	153	43.5 Å²	43.5	82%	0.818	22%	0.218	S	C	*	.	S	Bend	trans	-70.7	-21.8	-176.4	-63.9	-30.8	0	0	0	114.3
47	T	96.4	Very high	94.9	Very high	72 Å²	72	43.5 Å²	43.5	44%	0.442	22%	0.218	S	C	.	.	S	Bend	trans	-115.4	-13.4	-174.6	59.4	0	0	0	0	114.4	N45 Q61 R62	N45-T47 VanDerWaalsContact C-N 3.28Å; N45-T47 PolarHBondContact O-N 3.4Å; N45-T47 PolarHBondContact OD1-N 3.31Å; N45-T47 PolarHBondContact OD1-OG1 2.99Å; T47-Q61 CarbonylContact O-C 3.57Å; T47-R62 HydrophobicContact CG2-CB 4.34Å; T47-R62 PolarHBondContact O-N 3.06Å
48	Y	96.8	Very high	95.3	Very high	32 Å²	32	38 Å²	38	13%	0.125	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	136.6	-169.4	-164	-93.8	0	0	0	112	I43 E44 N45 R59 I60 Q61 D267	I43-Y48 HydrophobicContact CD1-CD1 4.44Å; I43-Y48 HydrophobicContact CG2-CD1 3.85Å; I43-Y48 HydrophobicContact CG2-CE1 3.77Å; E44-Y48 CarbonylContact C-O 3.47Å; E44-Y48 WeakPolarHBondContact CA-O 3.36Å; N45-Y48 PolarHBondContact N-O 2.89Å; N45-Y48 WeakPolarHBondContact OD1-CA 3.37Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.37Å; N45-Y48 PolarHBondContact OD1-N 3.26Å; N45-Y48 PolarHBondContact OD1-O 3.42Å; Y48-R59 HydrophobicContact CE2-CG 4.03Å; Y48-R59 WeakPolarHBondContact OH-CD 3.33Å; Y48-R59 WeakPolarHBondContact OH-CG 3.2Å; Y48-R59 PolarHBondContact OH-NE 3.19Å; Y48-I60 CarbonylContact C-O 3.51Å; Y48-I60 WeakPolarHBondContact CA-O 3.31Å; Y48-Q61 HydrophobicContact CD2-CG 3.63Å; Y48-Q61 HydrophobicContact CE2-CG 3.49Å; Y48-Q61 VanDerWaalsContact CE2-CG 3.49Å; Y48-D267 VanDerWaalsContact CE1-OD1 3.3Å; Y48-D267 WeakPolarHBondContact CE1-OD1 3.43Å; Y48-D267 VanDerWaalsContact CZ-OD1 3.23Å; Y48-D267 VanDerWaalsContact OH-CG 3.23Å; Y48-D267 PolarHBondContact OH-OD1 3.39Å; Y48-D267 PolarHBondContact OH-OD2 2.87Å
49	R	97.5	Very high	95.6	Very high	13 Å²	13	34.3 Å²	34.3	5%	0.049	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	133.3	170.5	-174.5	-177.3	-166.6	-122	2.5	110.4	E39 V41 I43 E44 M58 R59 I60 W208	E39-R49 IonicContact OE1-CZ 3.41Å; E39-R49 VanDerWaalsContact OE1-CZ 3.32Å; E39-R49 IonicContact OE1-NH1 3.85Å; E39-R49 PolarHBondContact OE1-NH1 2.81Å; E39-R49 IonicContact OE1-NH2 2.63Å; E39-R49 PolarHBondContact OE1-NH2 2.83Å; E39-R49 IonicContact OE2-NH2 3.36Å; V41-R49 HydrophobicContact CG1-CG 4.33Å; V41-R49 VanDerWaalsContact CG2-NH2 3.3Å; I43-R49 CarbonylContact O-C 3.56Å; I43-R49 VanDerWaalsContact O-CA 3.29Å; I43-R49 WeakPolarHBondContact O-CA 3.48Å; E44-R49 HydrophobicContact CB-CG 4.23Å; E44-R49 HydrophobicContact CG-CB 4.24Å; E44-R49 HydrophobicContact CG-CG 4Å; E44-R49 WeakPolarHBondContact OE2-CD 2.92Å; E44-R49 IonicContact OE2-CZ 3.41Å; E44-R49 IonicContact OE2-NE 3.29Å; E44-R49 PolarHBondContact OE2-NE 2.93Å; E44-R49 IonicContact OE2-NH2 3.67Å; R49-M58 VanDerWaalsContact NH1-CE 3.28Å; R49-R59 CarbonylContact O-C 3.52Å; R49-R59 WeakPolarHBondContact O-CA 3.42Å; R49-I60 HydrophobicContact CB-CB 4.11Å; R49-I60 HydrophobicContact CB-CD1 4.46Å; R49-I60 HydrophobicContact CB-CG1 4.38Å; R49-I60 PolarHBondContact N-O 3.4Å; R49-I60 PolarHBondContact O-N 2.78Å; R49-W208 HydrophobicContact CB-CH2 4.11Å; R49-W208 HydrophobicContact CB-CZ2 3.71Å
50	Y	97.3	Very high	95.7	Very high	1 Å²	1	29.9 Å²	29.9	0%	0.004	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	130.8	169.5	-177.8	-107.8	0	0	0	110.1	I42 I43 L52 S57 M58 R59 D267	I42-Y50 HydrophobicContact CB-CD1 4.07Å; I42-Y50 HydrophobicContact CD1-CD1 3.71Å; I42-Y50 HydrophobicContact CD1-CE1 3.58Å; I42-Y50 HydrophobicContact CG1-CD1 4Å; I42-Y50 HydrophobicContact CG1-CE1 4.33Å; I42-Y50 PolarHBondContact N-O 3.48Å; I43-Y50 PolarHBondContact N-O 3.25Å; I43-Y50 PolarHBondContact O-N 3.2Å; Y50-L52 HydrophobicContact CE1-CD2 3.99Å; Y50-S57 WeakPolarHBondContact OH-CB 3.09Å; Y50-M58 WeakPolarHBondContact CA-O 3.06Å; Y50-R59 HydrophobicContact CD2-CB 4Å; Y50-R59 HydrophobicContact CD2-CG 4.46Å; Y50-D267 HydrophobicContact CD1-CB 3.59Å; Y50-D267 HydrophobicContact CD2-CB 4.41Å; Y50-D267 HydrophobicContact CE1-CB 3.76Å; Y50-D267 HydrophobicContact CG-CB 3.93Å
51	S	97.2	Very high	95.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	147.6	-174.2	54.3	0	0	0	0	111.4	N40 H53 S57 M58	N40-S51 CarbonylContact O-C 3.58Å; N40-S51 VanDerWaalsContact O-CA 3.26Å; N40-S51 WeakPolarHBondContact O-CA 3.36Å; S51-H53 PolarHBondContact OG-NE2 3.48Å; S51-S57 CarbonylContact O-C 3.56Å; S51-S57 WeakPolarHBondContact O-CA 3.44Å; S51-M58 PolarHBondContact N-O 3.42Å; S51-M58 PolarHBondContact O-N 2.92Å; S51-M58 WeakPolarHBondContact OG-CE 3.35Å; S51-M58 PolarHBondContact OG-O 2.89Å
52	L	96	Very high	96	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.016	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	137.9	172.9	-55.6	178.9	0	0	0	109.5	Y38 E39 N40 I42 Y50 I220 A251 I253	Y38-L52 HydrophobicContact CE1-CB 4.42Å; E39-L52 CarbonylContact C-O 3.56Å; E39-L52 WeakPolarHBondContact CA-O 3.2Å; N40-L52 PolarHBondContact N-O 3.32Å; N40-L52 PolarHBondContact O-N 3.47Å; I42-L52 HydrophobicContact CD1-CD1 3.82Å; I42-L52 HydrophobicContact CD1-CD2 4.2Å; I42-L52 HydrophobicContact CD1-CG 3.77Å; I42-L52 HydrophobicContact CG1-CD1 4.45Å; I42-L52 HydrophobicContact CG1-CG 4.16Å; Y50-L52 HydrophobicContact CE1-CD2 3.99Å; L52-I220 HydrophobicContact CD2-CD1 3.97Å; L52-A251 HydrophobicContact CD1-CB 3.88Å; L52-I253 HydrophobicContact CD1-CG2 4.45Å; L52-I253 HydrophobicContact CD2-CG2 4.34Å
53	H	95.5	Very high	96	Very high	11 Å²	11	36.5 Å²	36.5	5%	0.051	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	173.5	178	-60.9	-93.8	0	0	0	108.8	Y38 E39 S51 K55 Y56 M58 I202	Y38-H53 WeakPolarHBondContact O-CA 3.19Å; E39-H53 VanDerWaalsContact CG-CE1 3.43Å; E39-H53 WeakPolarHBondContact CG-CE1 3.48Å; E39-H53 IonicContact OE1-CE1 3.26Å; E39-H53 PolarHBondContact OE1-CE1 3.2Å; E39-H53 IonicContact OE1-NE2 3.92Å; S51-H53 PolarHBondContact OG-NE2 3.48Å; H53-K55 PolarHBondContact O-N 2.96Å; H53-K55 VanDerWaalsContact O-N 3.08Å; H53-Y56 CarbonylContact C-O 3.59Å; H53-Y56 WeakPolarHBondContact CA-O 3.2Å; H53-Y56 WeakPolarHBondContact CB-O 3.38Å; H53-Y56 PolarHBondContact N-O 3.39Å; H53-Y56 PolarHBondContact O-N 3.45Å; H53-M58 WeakPolarHBondContact NE2-CE 3.46Å; H53-I202 HydrophobicContact CB-CD1 3.58Å; H53-I202 HydrophobicContact CB-CG1 4.03Å; H53-I202 HydrophobicContact CB-CG2 4.23Å
54	Y	91.9	Very high	96.2	Very high	20 Å²	20	37.4 Å²	37.4	8%	0.078	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	117.8	174.8	176.1	-105.1	0	0	0	110.8	D28 I29 L35 Y56	D28-Y54 HydrophobicContact CB-CE2 4.23Å; D28-Y54 PolarHBondContact OD2-OH 3.21Å; I29-Y54 HydrophobicContact CD1-CD1 3.62Å; I29-Y54 HydrophobicContact CD1-CE1 3.74Å; I29-Y54 HydrophobicContact CD1-CG 4.24Å; I29-Y54 HydrophobicContact CG1-CD1 4.09Å; I29-Y54 HydrophobicContact CG1-CE1 3.81Å; L35-Y54 HydrophobicContact CB-CD2 4.06Å; L35-Y54 HydrophobicContact CB-CG 4.42Å; L35-Y54 HydrophobicContact CD1-CD2 4.04Å; L35-Y54 HydrophobicContact CD1-CE2 3.87Å; L35-Y54 HydrophobicContact CD2-CD2 4.2Å; L35-Y54 HydrophobicContact CG-CD2 4.33Å; Y54-Y56 PolarHBondContact O-N 2.87Å; Y54-Y56 VanDerWaalsContact O-N 3.08Å
55	K	91.9	Very high	96.2	Very high	45 Å²	45	38.7 Å²	38.7	20%	0.196	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	0.7	-177	-62.2	-164.9	175.4	-137.1	0	117	H53 A219 I220 E222	H53-K55 PolarHBondContact O-N 2.96Å; H53-K55 VanDerWaalsContact O-N 3.08Å; K55-A219 CarbonylContact O-C 3.56Å; K55-A219 WeakPolarHBondContact O-CA 3.46Å; K55-I220 PolarHBondContact O-N 3.26Å; K55-E222 IonicContact NZ-OE1 3.25Å; K55-E222 PolarHBondContact NZ-OE1 2.95Å
56	Y	95.8	Very high	96.2	Very high	1 Å²	1	37.8 Å²	37.8	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	143.6	-176.9	-81.1	-89.2	0	0	0	111.5	H53 Y54 Y92 I190 I202 E218 A219 I220	H53-Y56 CarbonylContact C-O 3.59Å; H53-Y56 WeakPolarHBondContact CA-O 3.2Å; H53-Y56 WeakPolarHBondContact CB-O 3.38Å; H53-Y56 PolarHBondContact N-O 3.39Å; H53-Y56 PolarHBondContact O-N 3.45Å; Y54-Y56 PolarHBondContact O-N 2.87Å; Y54-Y56 VanDerWaalsContact O-N 3.08Å; Y56-Y92 HydrophobicContact CD2-CD1 4.02Å; Y56-Y92 AromaticContact CD2-CE1 3.65Å; Y56-Y92 HydrophobicContact CD2-CE1 3.65Å; Y56-Y92 HydrophobicContact CD2-CE2 4.42Å; Y56-Y92 AromaticContact CD2-CZ 3.9Å; Y56-Y92 AromaticContact CE2-CD1 3.56Å; Y56-Y92 HydrophobicContact CE2-CD1 3.56Å; Y56-Y92 AromaticContact CE2-CD2 3.79Å; Y56-Y92 HydrophobicContact CE2-CD2 3.79Å; Y56-Y92 AromaticContact CE2-CE1 3.58Å; Y56-Y92 HydrophobicContact CE2-CE1 3.58Å; Y56-Y92 AromaticContact CE2-CE2 3.84Å; Y56-Y92 HydrophobicContact CE2-CE2 3.84Å; Y56-Y92 AromaticContact CE2-CG 3.67Å; Y56-Y92 HydrophobicContact CE2-CG 3.67Å; Y56-Y92 AromaticContact CE2-CZ 3.75Å; Y56-Y92 PolarHBondContact OH-N 3.15Å; Y56-I190 HydrophobicContact CD1-CD1 3.92Å; Y56-I190 HydrophobicContact CD2-CD1 4.14Å; Y56-I190 HydrophobicContact CE1-CD1 4.08Å; Y56-I190 HydrophobicContact CE2-CD1 4.3Å; Y56-I190 HydrophobicContact CG-CD1 3.95Å; Y56-I202 HydrophobicContact CD2-CD1 4.23Å; Y56-I202 HydrophobicContact CG-CD1 4.23Å; Y56-E218 CarbonylContact C-O 3.6Å; Y56-E218 VanDerWaalsContact CA-O 3.26Å; Y56-E218 WeakPolarHBondContact CA-O 3.09Å; Y56-E218 WeakPolarHBondContact CD1-O 3.23Å; Y56-A219 HydrophobicContact CE1-CB 4.23Å; Y56-I220 VanDerWaalsContact C-CD1 3.44Å; Y56-I220 WeakPolarHBondContact O-CD1 3.37Å
57	S	95.9	Very high	96.2	Very high	5 Å²	5	33.4 Å²	33.4	4%	0.035	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	152.3	158.2	64.7	0	0	0	0	109.2	Y50 S51 Y217 E218	Y50-S57 WeakPolarHBondContact OH-CB 3.09Å; S51-S57 CarbonylContact O-C 3.56Å; S51-S57 WeakPolarHBondContact O-CA 3.44Å; S57-Y217 VanDerWaalsContact O-CA 3.32Å; S57-Y217 WeakPolarHBondContact O-CA 3.46Å; S57-E218 PolarHBondContact N-O 2.89Å; S57-E218 PolarHBondContact O-N 2.87Å
58	M	97.9	Very high	96.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	121	173.7	176.5	179.8	50	0	0	109	R49 Y50 S51 H53 I60 V204 V215 E216 Y217	R49-M58 VanDerWaalsContact NH1-CE 3.28Å; Y50-M58 WeakPolarHBondContact CA-O 3.06Å; S51-M58 PolarHBondContact N-O 3.42Å; S51-M58 PolarHBondContact O-N 2.92Å; S51-M58 WeakPolarHBondContact OG-CE 3.35Å; S51-M58 PolarHBondContact OG-O 2.89Å; H53-M58 WeakPolarHBondContact NE2-CE 3.46Å; M58-I60 HydrophobicContact CE-CD1 4.45Å; M58-I60 HydrophobicContact CG-CG1 4.14Å; M58-I60 HydrophobicContact SD-CD1 4.11Å; M58-I60 HydrophobicContact SD-CG1 4.31Å; M58-V204 HydrophobicContact SD-CG2 4.45Å; M58-V215 HydrophobicContact CG-CG1 3.87Å; M58-V215 HydrophobicContact SD-CG1 4.04Å; M58-E216 CarbonylContact C-O 3.59Å; M58-E216 WeakPolarHBondContact CA-O 3.37Å; M58-Y217 HydrophobicContact CB-CD1 4.02Å; M58-Y217 HydrophobicContact CB-CE1 4.04Å; M58-Y217 HydrophobicContact CG-CD1 4.19Å; M58-Y217 HydrophobicContact CG-CE1 3.89Å; M58-Y217 HydrophobicContact SD-CE1 3.68Å
59	R	97.4	Very high	96	Very high	6 Å²	6	31.8 Å²	31.8	2%	0.023	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	136.2	170.8	-172.4	179.3	-64.7	112	2.9	109.4	Y48 R49 Y50 Q61 V215 E216 L263 D267	Y48-R59 HydrophobicContact CE2-CG 4.03Å; Y48-R59 WeakPolarHBondContact OH-CD 3.33Å; Y48-R59 WeakPolarHBondContact OH-CG 3.2Å; Y48-R59 PolarHBondContact OH-NE 3.19Å; R49-R59 CarbonylContact O-C 3.52Å; R49-R59 WeakPolarHBondContact O-CA 3.42Å; Y50-R59 HydrophobicContact CD2-CB 4Å; Y50-R59 HydrophobicContact CD2-CG 4.46Å; R59-Q61 VanDerWaalsContact CD-OE1 3.23Å; R59-Q61 HydrophobicContact CG-CG 4.24Å; R59-V215 CarbonylContact O-C 3.58Å; R59-V215 VanDerWaalsContact O-CA 3.3Å; R59-V215 WeakPolarHBondContact O-CA 3.43Å; R59-E216 HydrophobicContact CB-CB 4.44Å; R59-E216 PolarHBondContact N-O 2.84Å; R59-E216 IonicContact NH1-OE2 2.64Å; R59-E216 PolarHBondContact NH1-OE2 3.41Å; R59-E216 PolarHBondContact O-N 2.99Å; R59-L263 VanDerWaalsContact CZ-CD2 3.43Å; R59-D267 IonicContact CZ-OD2 3.47Å; R59-D267 VanDerWaalsContact CZ-OD2 3.29Å; R59-D267 IonicContact NE-OD2 2.76Å; R59-D267 PolarHBondContact NE-OD2 3.34Å; R59-D267 IonicContact NH2-OD2 3.39Å; R59-D267 PolarHBondContact NH2-OD2 2.99Å
60	I	98.4	Very high	95.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	129.6	174.6	-48.7	-176.5	0	0	0	108.3	Y48 R49 M58 V204 W208 T213 L214 V215	Y48-I60 CarbonylContact C-O 3.51Å; Y48-I60 WeakPolarHBondContact CA-O 3.31Å; R49-I60 HydrophobicContact CB-CB 4.11Å; R49-I60 HydrophobicContact CB-CD1 4.46Å; R49-I60 HydrophobicContact CB-CG1 4.38Å; R49-I60 PolarHBondContact N-O 3.4Å; R49-I60 PolarHBondContact O-N 2.78Å; M58-I60 HydrophobicContact CE-CD1 4.45Å; M58-I60 HydrophobicContact CG-CG1 4.14Å; M58-I60 HydrophobicContact SD-CD1 4.11Å; M58-I60 HydrophobicContact SD-CG1 4.31Å; I60-V204 HydrophobicContact CD1-CG1 4.2Å; I60-W208 HydrophobicContact CB-CD2 4.38Å; I60-W208 HydrophobicContact CB-CE3 4.21Å; I60-W208 HydrophobicContact CD1-CB 4.04Å; I60-W208 HydrophobicContact CD1-CD2 4.21Å; I60-W208 HydrophobicContact CD1-CG 3.8Å; I60-W208 HydrophobicContact CG2-CB 4.03Å; I60-W208 HydrophobicContact CG2-CD2 3.76Å; I60-W208 HydrophobicContact CG2-CE3 3.36Å; I60-W208 HydrophobicContact CG2-CG 4.04Å; I60-W208 HydrophobicContact CG2-CZ3 4.04Å; I60-T213 HydrophobicContact CG2-CG2 3.39Å; I60-L214 CarbonylContact C-O 3.53Å; I60-L214 WeakPolarHBondContact CA-O 3.31Å; I60-V215 HydrophobicContact CD1-CG2 4.48Å; I60-V215 HydrophobicContact CG1-CG1 4.27Å; I60-V215 HydrophobicContact CG1-CG2 4.13Å; I60-V215 HydrophobicContact CG2-CG2 4.1Å
61	Q	97.9	Very high	95.6	Very high	39 Å²	39	40.2 Å²	40.2	18%	0.182	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	132.9	-180	-69.9	175.1	-105.6	0	0	110.2	T47 Y48 R59 Q64 T213 L214	T47-Q61 CarbonylContact O-C 3.57Å; Y48-Q61 HydrophobicContact CD2-CG 3.63Å; Y48-Q61 HydrophobicContact CE2-CG 3.49Å; Y48-Q61 VanDerWaalsContact CE2-CG 3.49Å; R59-Q61 VanDerWaalsContact CD-OE1 3.23Å; R59-Q61 HydrophobicContact CG-CG 4.24Å; Q61-Q64 HydrophobicContact CB-CG 3.58Å; Q61-T213 CarbonylContact O-C 3.59Å; Q61-T213 WeakPolarHBondContact O-CA 3.31Å; Q61-L214 PolarHBondContact N-O 3.39Å; Q61-L214 PolarHBondContact O-N 2.86Å
62	R	97.6	Very high	95.4	Very high	55 Å²	55	45 Å²	45	21%	0.208	23%	0.232	C	C	.	.	S	Bend	trans	-87.1	165	172.1	-65.3	-75.4	-69.5	143.3	12.6	111	T47 Q64 W208 S211 G212 T213	T47-R62 HydrophobicContact CG2-CB 4.34Å; T47-R62 PolarHBondContact O-N 3.06Å; R62-Q64 PolarHBondContact O-N 3.32Å; R62-Q64 PolarHBondContact O-NE2 3.01Å; R62-W208 HydrophobicContact CG-CE3 4.12Å; R62-W208 HydrophobicContact CG-CZ3 3.7Å; R62-S211 PolarHBondContact NH1-O 2.99Å; R62-G212 CarbonylContact C-O 3.53Å; R62-T213 WeakPolarHBondContact CD-OG1 3.43Å; R62-T213 PolarHBondContact NH1-OG1 2.64Å
63	D	96.4	Very high	95.3	Very high	119 Å²	119	45.5 Å²	45.5	64%	0.636	23%	0.234	S	C	*	.	S	Bend	trans	55.4	35.7	174.6	-47.9	-45.8	0	0	0	112.9	G212	D63-G212 PolarHBondContact N-O 2.99Å
64	Q	97.6	Very high	94.7	Very high	61 Å²	61	53 Å²	53	29%	0.285	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-92.9	133.1	177.7	-60.7	-53.1	-63	0	0	110.6	Q61 R62 H173 G212 L214	Q61-Q64 HydrophobicContact CB-CG 3.58Å; R62-Q64 PolarHBondContact O-N 3.32Å; R62-Q64 PolarHBondContact O-NE2 3.01Å; Q64-H173 PolarHBondContact O-NE2 3.32Å; Q64-H173 VanDerWaalsContact O-NE2 3.15Å; Q64-G212 PolarHBondContact N-O 2.85Å; Q64-L214 HydrophobicContact CB-CB 3.76Å; Q64-L214 HydrophobicContact CG-CB 3.74Å; Q64-L214 HydrophobicContact CG-CD2 4.47Å
65	P	96.3	Very high	94.2	Very high	102 Å²	102	56.3 Å²	56.3	66%	0.662	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-66	164.8	173.5	31.6	-35.8	0	0	0	110.4	P67 H173	P65-P67 WeakPolarHBondContact O-CD 3.17Å; P65-H173 PolarHBondContact O-NE2 2.02Å
66	Q	94.8	Very high	93.7	Very high	55 Å²	55	61.7 Å²	61.7	26%	0.257	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-59.4	123.3	172.2	-160.6	-175.3	19.9	0	0	109.6	V68 S70 H173	Q66-V68 WeakPolarHBondContact CG-O 3.46Å; Q66-V68 PolarHBondContact NE2-O 3.44Å; Q66-V68 PolarHBondContact O-N 3.27Å; Q66-V68 PolarHBondContact OE1-O 2.99Å; Q66-S70 PolarHBondContact NE2-OG 3.23Å; Q66-S70 PolarHBondContact OE1-OG 3.44Å; Q66-H173 VanDerWaalsContact CA-CE1 3.49Å; Q66-H173 WeakPolarHBondContact CA-CE1 3.38Å
67	P	93.7	Very high	92.6	Very high	62 Å²	62	62.1 Å²	62.1	40%	0.403	31%	0.311	S	S	.	.	S	Bend	trans	-67.8	-22.7	-177	24.8	-34.3	0	0	0	112.9	P65 L163 H173 L214	P65-P67 WeakPolarHBondContact O-CD 3.17Å; P67-L163 HydrophobicContact CB-CD1 3.98Å; P67-L163 HydrophobicContact CG-CD1 3.58Å; P67-H173 HydrophobicContact CG-CB 4.13Å; P67-L214 HydrophobicContact CG-CD1 4.36Å
68	V	94.8	Very high	91.3	Very high	4 Å²	4	67.2 Å²	67.2	2%	0.024	34%	0.338	C	S	.	.	S	Bend	trans	-140.4	125.4	-178.8	-176.1	0	0	0	0	108.4	Q66 S70 R72 F73 L135 L140 L163	Q66-V68 WeakPolarHBondContact CG-O 3.46Å; Q66-V68 PolarHBondContact NE2-O 3.44Å; Q66-V68 PolarHBondContact O-N 3.27Å; Q66-V68 PolarHBondContact OE1-O 2.99Å; V68-S70 PolarHBondContact O-N 2.76Å; V68-R72 HydrophobicContact CG1-CB 4.07Å; V68-R72 HydrophobicContact CG1-CG 4.35Å; V68-F73 HydrophobicContact CB-CE2 4.03Å; V68-F73 HydrophobicContact CB-CZ 4.29Å; V68-F73 HydrophobicContact CG1-CE2 3.79Å; V68-F73 HydrophobicContact CG1-CZ 4.2Å; V68-L135 HydrophobicContact CG1-CD2 3.81Å; V68-L140 HydrophobicContact CG2-CD2 3.43Å; V68-L140 VanDerWaalsContact CG2-CD2 3.43Å; V68-L163 HydrophobicContact CG2-CD1 3.69Å; V68-L163 HydrophobicContact CG2-CD2 4.02Å
69	P	94.4	Very high	89.7	Confident	66 Å²	66	71 Å²	71	43%	0.429	36%	0.361	S	S	.	.			trans	-58.4	137.4	177.9	-23.5	32.7	0	0	0	112.7	E71 R72	P69-E71 WeakPolarHBondContact CB-OE2 3.34Å; P69-E71 PolarHBondContact O-N 3.1Å; P69-E71 VanDerWaalsContact O-N 3.13Å; P69-R72 WeakPolarHBondContact O-CB 3.39Å; P69-R72 PolarHBondContact O-N 3.37Å
70	S	93	Very high	88.2	Confident	46 Å²	46	75.8 Å²	75.8	32%	0.322	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-56.6	-28.6	-178.5	-66.1	0	0	0	0	114	Q66 V68 R72 F73 Q144	Q66-S70 PolarHBondContact NE2-OG 3.23Å; Q66-S70 PolarHBondContact OE1-OG 3.44Å; V68-S70 PolarHBondContact O-N 2.76Å; S70-R72 PolarHBondContact O-N 3.01Å; S70-R72 VanDerWaalsContact O-N 3.13Å; S70-F73 PolarHBondContact O-N 3.37Å; S70-F73 VanDerWaalsContact O-N 3.12Å; S70-Q144 PolarHBondContact OG-NE2 3.26Å; S70-Q144 VanDerWaalsContact OG-NE2 3.11Å
71	E	93	Very high	86.9	Confident	144 Å²	144	79.4 Å²	79.4	67%	0.673	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-67.5	-14	-179.9	-49.2	83.2	-176	0	0	113.4	P69 K74	P69-E71 WeakPolarHBondContact CB-OE2 3.34Å; P69-E71 PolarHBondContact O-N 3.1Å; P69-E71 VanDerWaalsContact O-N 3.13Å; E71-K74 VanDerWaalsContact O-CE 3.29Å; E71-K74 WeakPolarHBondContact O-CE 3.32Å; E71-K74 VanDerWaalsContact O-CG 3.31Å; E71-K74 WeakPolarHBondContact O-CG 3.47Å
72	R	94.3	Very high	86.1	Confident	102 Å²	102	80.8 Å²	80.8	39%	0.385	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-75.4	-26.4	175.3	-61	-167.7	68.8	-172.1	12.2	112.3	V68 P69 S70 K74 L135 E137	V68-R72 HydrophobicContact CG1-CB 4.07Å; V68-R72 HydrophobicContact CG1-CG 4.35Å; P69-R72 WeakPolarHBondContact O-CB 3.39Å; P69-R72 PolarHBondContact O-N 3.37Å; S70-R72 PolarHBondContact O-N 3.01Å; S70-R72 VanDerWaalsContact O-N 3.13Å; R72-K74 VanDerWaalsContact C-N 3.3Å; R72-K74 PolarHBondContact O-N 2.93Å; R72-L135 HydrophobicContact CB-CD1 4.26Å; R72-L135 HydrophobicContact CB-CD2 4.35Å; R72-E137 IonicContact CZ-OE1 3.92Å; R72-E137 IonicContact CZ-OE2 3.61Å; R72-E137 IonicContact NE-OE1 3.04Å; R72-E137 IonicContact NH1-OE2 2.77Å; R72-E137 IonicContact NH2-OE1 3.11Å; R72-E137 PolarHBondContact NH2-OE1 2.99Å; R72-E137 IonicContact NH2-OE2 2.7Å; R72-E137 PolarHBondContact NH2-OE2 3.38Å
73	F	92.8	Very high	85.4	Confident	13 Å²	13	79.3 Å²	79.3	6%	0.057	40%	0.404	C	S	.	.			trans	-80.2	75.1	178	-61.5	-95.4	0	0	0	110.6	V68 S70 A133 L135 Q144 T161 L163	V68-F73 HydrophobicContact CB-CE2 4.03Å; V68-F73 HydrophobicContact CB-CZ 4.29Å; V68-F73 HydrophobicContact CG1-CE2 3.79Å; V68-F73 HydrophobicContact CG1-CZ 4.2Å; S70-F73 PolarHBondContact O-N 3.37Å; S70-F73 VanDerWaalsContact O-N 3.12Å; F73-A133 HydrophobicContact CB-CB 3.68Å; F73-A133 WeakPolarHBondContact O-CB 3.5Å; F73-L135 HydrophobicContact CD1-CB 3.73Å; F73-L135 HydrophobicContact CE1-CB 3.89Å; F73-L135 HydrophobicContact CE1-CD2 4.43Å; F73-L135 HydrophobicContact CG-CB 4.36Å; F73-L135 HydrophobicContact CZ-CD2 4.38Å; F73-Q144 HydrophobicContact CB-CB 4.27Å; F73-Q144 HydrophobicContact CD1-CB 3.58Å; F73-Q144 HydrophobicContact CD2-CB 4.1Å; F73-Q144 HydrophobicContact CE1-CB 3.82Å; F73-Q144 HydrophobicContact CE2-CB 4.32Å; F73-Q144 HydrophobicContact CG-CB 3.73Å; F73-Q144 HydrophobicContact CZ-CB 4.19Å; F73-T161 HydrophobicContact CE1-CG2 4.14Å; F73-T161 HydrophobicContact CE2-CG2 4.3Å; F73-T161 HydrophobicContact CZ-CG2 3.55Å; F73-L163 HydrophobicContact CE1-CD2 4.47Å; F73-L163 HydrophobicContact CZ-CD2 4.01Å
74	K	83.2	Confident	85	Confident	167 Å²	167	81.7 Å²	81.7	73%	0.726	41%	0.405	S	S	*	.			trans	-86.4	-25.7	-171.7	-64.7	178.9	-177.6	175.6	0	114.2	E71 R72 K76	E71-K74 VanDerWaalsContact O-CE 3.29Å; E71-K74 WeakPolarHBondContact O-CE 3.32Å; E71-K74 VanDerWaalsContact O-CG 3.31Å; E71-K74 WeakPolarHBondContact O-CG 3.47Å; R72-K74 VanDerWaalsContact C-N 3.3Å; R72-K74 PolarHBondContact O-N 2.93Å; K74-K76 PolarHBondContact O-N 3.49Å
75	N	82	Confident	84.7	Confident	91 Å²	91	79.6 Å²	79.6	49%	0.487	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	104	-170.9	-63.3	-29.6	0	0	0	110.2	A133 F134	N75-A133 CarbonylContact O-C 3.51Å; N75-A133 WeakPolarHBondContact O-CA 3.33Å; N75-F134 HydrophobicContact CB-CB 4.15Å; N75-F134 HydrophobicContact CB-CD1 4.38Å; N75-F134 PolarHBondContact N-O 3.5Å; N75-F134 PolarHBondContact O-N 2.99Å
76	K	80.9	Confident	84.4	Confident	157 Å²	157	80.1 Å²	80.1	68%	0.683	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	147.9	169.7	-66.3	-165.4	175.4	-161.4	0	110.5	K74	K74-K76 PolarHBondContact O-N 3.49Å
77	V	73.1	Confident	84.3	Confident	10 Å²	10	78.7 Å²	78.7	6%	0.061	38%	0.383	C	S	.	.			trans	-126.1	117.1	-175.2	178.3	0	0	0	0	111.1	F101 T132 F134	V77-F101 HydrophobicContact CB-CE2 3.68Å; V77-F101 HydrophobicContact CB-CZ 4.37Å; V77-F101 HydrophobicContact CG1-CD2 4.14Å; V77-F101 HydrophobicContact CG1-CE2 3.47Å; V77-F101 VanDerWaalsContact CG1-CE2 3.47Å; V77-F101 HydrophobicContact CG1-CZ 4.23Å; V77-F101 HydrophobicContact CG2-CE2 3.53Å; V77-F101 HydrophobicContact CG2-CZ 3.73Å; V77-T132 PolarHBondContact N-O 3.34Å; V77-F134 HydrophobicContact CG2-CB 4.28Å
78	D	67.8	Low	84.1	Confident	112 Å²	112	79.7 Å²	79.7	60%	0.599	39%	0.391	S	S	*	.			trans	-100.6	-9	-166.5	-61.2	-23.7	0	0	0	115.5	E103	D78-E103 WeakPolarHBondContact CA-OE2 3.21Å; D78-E103 VanDerWaalsContact O-OE2 3.07Å
79	V	65.5	Low	84	Confident	81 Å²	81	79.7 Å²	79.7	49%	0.491	39%	0.391	S	S	.	.	S	Bend	trans	-149	-89.5	-175.4	-164.3	0	0	0	0	113.4	E103	V79-E103 PolarHBondContact O-N 3.36Å
80	I	65.9	Low	83.8	Confident	105 Å²	105	79.4 Å²	79.4	54%	0.538	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	128.9	-177.2	-67.3	167.1	0	0	0	105.8	H102	I80-H102 VanDerWaalsContact CG1-CD2 3.42Å; I80-H102 WeakPolarHBondContact CG1-CD2 3.2Å
81	Y	70.2	Confident	83.8	Confident	76 Å²	76	77.5 Å²	77.5	30%	0.298	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	108.9	-179.3	-164.2	-107.1	0	0	0	109.1	H83 Y100 F101 F134	Y81-H83 HydrophobicContact CD1-CB 3.57Å; Y81-H83 HydrophobicContact CE1-CB 3.28Å; Y81-H83 AromaticContact CE1-CG 3.35Å; Y81-H83 AromaticContact CE1-ND1 3.35Å; Y81-H83 WeakPolarHBondContact CE1-ND1 3.31Å; Y81-H83 AromaticContact CZ-CG 4Å; Y81-H83 AromaticContact CZ-ND1 3.48Å; Y81-H83 PolarHBondContact OH-ND1 3.34Å; Y81-Y100 VanDerWaalsContact O-CA 3.31Å; Y81-Y100 WeakPolarHBondContact O-CA 3.24Å; Y81-F101 HydrophobicContact CD1-CD1 4.35Å; Y81-F101 AromaticContact CD1-CE1 3.35Å; Y81-F101 HydrophobicContact CD1-CE1 3.35Å; Y81-F101 HydrophobicContact CD1-CE2 4.48Å; Y81-F101 AromaticContact CD1-CZ 3.41Å; Y81-F101 HydrophobicContact CD1-CZ 3.41Å; Y81-F101 VanDerWaalsContact CD1-CZ 3.41Å; Y81-F101 HydrophobicContact CE1-CE1 4.25Å; Y81-F101 HydrophobicContact CE1-CZ 4.28Å; Y81-F101 HydrophobicContact CG-CE1 4.03Å; Y81-F101 HydrophobicContact CG-CE2 4.47Å; Y81-F101 AromaticContact CG-CZ 3.78Å; Y81-F101 HydrophobicContact CG-CZ 3.78Å; Y81-F101 PolarHBondContact N-O 3.4Å; Y81-F101 VanDerWaalsContact N-O 3.14Å; Y81-F101 PolarHBondContact O-N 3.46Å; Y81-F134 HydrophobicContact CE1-CD1 4.13Å; Y81-F134 AromaticContact CE1-CE1 3.8Å; Y81-F134 HydrophobicContact CE1-CE1 3.8Å; Y81-F134 HydrophobicContact CE1-CZ 4Å
82	D	80.1	Confident	83.6	Confident	69 Å²	69	70.8 Å²	70.8	37%	0.369	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	120.1	163.6	175.9	-10.5	0	0	0	106.8	K98 Y100	D82-K98 VanDerWaalsContact OD1-CD 3.31Å; D82-K98 WeakPolarHBondContact OD1-CD 3.39Å; D82-K98 IonicContact OD1-NZ 3.42Å; D82-K98 PolarHBondContact OD1-NZ 2.93Å; D82-K98 IonicContact OD2-NZ 2.68Å; D82-K98 PolarHBondContact OD2-NZ 3.15Å; D82-Y100 HydrophobicContact CB-CD1 3.7Å; D82-Y100 HydrophobicContact CB-CE1 3.52Å; D82-Y100 WeakPolarHBondContact OD2-CE1 3.32Å; D82-Y100 PolarHBondContact OD2-OH 3Å
83	H	84.3	Confident	83.3	Confident	23 Å²	23	68.9 Å²	68.9	11%	0.106	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	142	-176.1	-167.5	62.6	0	0	0	112.1	Y81 K98 I99 F134 D136	Y81-H83 HydrophobicContact CD1-CB 3.57Å; Y81-H83 HydrophobicContact CE1-CB 3.28Å; Y81-H83 AromaticContact CE1-CG 3.35Å; Y81-H83 AromaticContact CE1-ND1 3.35Å; Y81-H83 WeakPolarHBondContact CE1-ND1 3.31Å; Y81-H83 AromaticContact CZ-CG 4Å; Y81-H83 AromaticContact CZ-ND1 3.48Å; Y81-H83 PolarHBondContact OH-ND1 3.34Å; H83-K98 WeakPolarHBondContact O-CA 3.27Å; H83-I99 HydrophobicContact CB-CD1 4.11Å; H83-I99 HydrophobicContact CB-CG1 3.73Å; H83-I99 PolarHBondContact N-O 3.48Å; H83-I99 PolarHBondContact O-N 3.21Å; H83-F134 AromaticContact CD2-CZ 3.47Å; H83-F134 VanDerWaalsContact CD2-CZ 3.47Å; H83-F134 WeakPolarHBondContact CD2-CZ 3.46Å; H83-F134 AromaticContact CG-CZ 3.93Å; H83-F134 AromaticContact NE2-CE1 3.96Å; H83-F134 AromaticContact NE2-CZ 3.74Å; H83-D136 IonicContact CD2-OD2 3.17Å; H83-D136 IonicContact CE1-OD2 3.32Å; H83-D136 PolarHBondContact CE1-OD2 2.84Å; H83-D136 VanDerWaalsContact CE1-OD2 3.26Å; H83-D136 IonicContact NE2-OD1 3.73Å; H83-D136 IonicContact NE2-OD2 2.7Å; H83-D136 PolarHBondContact NE2-OD2 3.5Å
84	R	88.5	Confident	83	Confident	170 Å²	170	72 Å²	72	64%	0.642	37%	0.368	S	S	*	.			trans	-101.2	112.1	166.5	-69.2	-169.9	174.3	91.3	-7.6	107.7	K98	R84-K98 HydrophobicContact CG-CG 3.98Å; R84-K98 VanDerWaalsContact CZ-CE 3.47Å; R84-K98 VanDerWaalsContact NH2-CE 3.33Å
85	P	89.6	Confident	83.3	Confident	16 Å²	16	68.2 Å²	68.2	10%	0.104	35%	0.353	C	S	.	.			trans	-53.6	147.4	174.6	-19.7	28.6	0	0	0	111.2	F87 F89 I99 L141	P85-F87 PolarHBondContact O-N 3.43Å; P85-F89 HydrophobicContact CB-CE1 4.29Å; P85-F89 HydrophobicContact CG-CE1 3.79Å; P85-I99 HydrophobicContact CG-CG2 4.08Å; P85-L141 HydrophobicContact CB-CD2 4.3Å; P85-L141 HydrophobicContact CG-CD2 4.1Å
86	Q	91.1	Very high	83.6	Confident	114 Å²	114	64 Å²	64	53%	0.533	33%	0.331	S	S	.	.	S	Bend	trans	-67.1	-13.8	178.1	-83.3	169.7	65.4	0	0	114	D136	Q86-D136 WeakPolarHBondContact CG-OD2 3.12Å; Q86-D136 PolarHBondContact N-OD1 3.05Å; Q86-D136 VanDerWaalsContact N-OD1 3.12Å; Q86-D136 VanDerWaalsContact NE2-C 3.32Å; Q86-D136 VanDerWaalsContact NE2-CG 3.34Å; Q86-D136 PolarHBondContact NE2-O 2.01Å; Q86-D136 PolarHBondContact NE2-OD2 2.98Å
87	F	92	Very high	83.8	Confident	25 Å²	25	62.6 Å²	62.6	11%	0.11	33%	0.327	C	S	.	.	S	Bend	trans	-125	156.1	176.2	56.9	-91.5	0	0	0	111.7	P85 F89 E137 E138 L141 I164 P166	P85-F87 PolarHBondContact O-N 3.43Å; F87-F89 HydrophobicContact CD2-CB 4.09Å; F87-F89 AromaticContact CD2-CD1 3.95Å; F87-F89 HydrophobicContact CD2-CD1 3.95Å; F87-F89 HydrophobicContact CD2-CG 4.46Å; F87-F89 HydrophobicContact CE2-CB 4Å; F87-F89 AromaticContact CE2-CD1 3.55Å; F87-F89 HydrophobicContact CE2-CD1 3.55Å; F87-F89 HydrophobicContact CE2-CE1 4.32Å; F87-F89 HydrophobicContact CE2-CG 4.05Å; F87-E137 VanDerWaalsContact CD1-O 3.32Å; F87-E137 WeakPolarHBondContact CD1-O 3.42Å; F87-E137 WeakPolarHBondContact CE1-O 3.06Å; F87-E138 VanDerWaalsContact CD1-O 3.29Å; F87-E138 WeakPolarHBondContact CD1-O 3.38Å; F87-L141 HydrophobicContact CE1-CB 3.85Å; F87-L141 HydrophobicContact CZ-CB 3.61Å; F87-I164 HydrophobicContact CE2-CG2 4.42Å; F87-I164 WeakPolarHBondContact CZ-O 3.49Å; F87-P166 HydrophobicContact CB-CB 4.5Å; F87-P166 HydrophobicContact CB-CG 4.39Å; F87-P166 HydrophobicContact CD1-CG 4.25Å; F87-P166 VanDerWaalsContact CD2-CA 3.49Å; F87-P166 HydrophobicContact CD2-CB 3.95Å; F87-P166 HydrophobicContact CD2-CG 3.94Å; F87-P166 HydrophobicContact CE2-CB 4.44Å; F87-P166 HydrophobicContact CE2-CG 4.24Å; F87-P166 HydrophobicContact CG-CB 4.25Å; F87-P166 HydrophobicContact CG-CG 3.92Å
88	S	89.8	Confident	84.5	Confident	83 Å²	83	64 Å²	64	58%	0.58	33%	0.332	S	S	*	.			trans	-84.8	133.6	169.5	-75.6	0	0	0	0	110.3	H95	S88-H95 VanDerWaalsContact CB-NE2 3.32Å; S88-H95 WeakPolarHBondContact CB-NE2 3.4Å; S88-H95 PolarHBondContact OG-NE2 3.46Å
89	F	91.9	Very high	85.4	Confident	4 Å²	4	58.8 Å²	58.8	2%	0.018	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	168.1	171.6	71.6	-85.8	0	0	0	110.8	P85 F87 F91 V96 I99 V111 L141 I164 P166	P85-F89 HydrophobicContact CB-CE1 4.29Å; P85-F89 HydrophobicContact CG-CE1 3.79Å; F87-F89 HydrophobicContact CD2-CB 4.09Å; F87-F89 AromaticContact CD2-CD1 3.95Å; F87-F89 HydrophobicContact CD2-CD1 3.95Å; F87-F89 HydrophobicContact CD2-CG 4.46Å; F87-F89 HydrophobicContact CE2-CB 4Å; F87-F89 AromaticContact CE2-CD1 3.55Å; F87-F89 HydrophobicContact CE2-CD1 3.55Å; F87-F89 HydrophobicContact CE2-CE1 4.32Å; F87-F89 HydrophobicContact CE2-CG 4.05Å; F89-F91 HydrophobicContact CE2-CB 4.31Å; F89-V96 HydrophobicContact CD1-CB 4.3Å; F89-V96 HydrophobicContact CD2-CB 4.27Å; F89-V96 HydrophobicContact CD2-CG2 3.92Å; F89-V96 HydrophobicContact CE1-CB 3.95Å; F89-V96 HydrophobicContact CE1-CG1 3.89Å; F89-V96 HydrophobicContact CE1-CG2 4.48Å; F89-V96 HydrophobicContact CE2-CB 3.89Å; F89-V96 HydrophobicContact CE2-CG1 4.2Å; F89-V96 HydrophobicContact CE2-CG2 3.5Å; F89-V96 HydrophobicContact CG-CB 4.46Å; F89-V96 HydrophobicContact CZ-CB 3.71Å; F89-V96 HydrophobicContact CZ-CG1 3.59Å; F89-V96 HydrophobicContact CZ-CG2 3.82Å; F89-V96 PolarHBondContact O-N 2.68Å; F89-I99 HydrophobicContact CZ-CG2 4.35Å; F89-V111 HydrophobicContact CE2-CG1 4.43Å; F89-V111 HydrophobicContact CZ-CG1 4.5Å; F89-L141 HydrophobicContact CE1-CD2 4.46Å; F89-I164 HydrophobicContact CD1-CG2 4.18Å; F89-I164 HydrophobicContact CD2-CG2 3.83Å; F89-I164 HydrophobicContact CE1-CG2 3.97Å; F89-I164 HydrophobicContact CE2-CG2 3.64Å; F89-I164 HydrophobicContact CG-CG2 4.1Å; F89-I164 HydrophobicContact CZ-CD1 4.3Å; F89-I164 HydrophobicContact CZ-CG2 3.72Å; F89-P166 WeakPolarHBondContact CB-O 3.32Å
90	S	91	Very high	86.2	Confident	59 Å²	59	58 Å²	58	41%	0.413	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	143.6	176.5	-66.7	0	0	0	0	111.4	Y94 G168	S90-Y94 CarbonylContact C-O 3.57Å; S90-Y94 WeakPolarHBondContact CA-O 3.34Å; S90-G168 WeakPolarHBondContact O-CA 3.4Å
91	F	92.2	Very high	86.7	Confident	7 Å²	7	53.1 Å²	53.1	3%	0.031	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	125.5	174.6	-171.8	-105.9	0	0	0	109.2	F89 G93 Y94 V96 V111 I120 V170 I190	F89-F91 HydrophobicContact CE2-CB 4.31Å; F91-G93 PolarHBondContact O-N 3.42Å; F91-G93 VanDerWaalsContact O-N 3.12Å; F91-Y94 PolarHBondContact N-O 3.37Å; F91-Y94 PolarHBondContact O-N 3.43Å; F91-V96 HydrophobicContact CB-CG2 3.73Å; F91-V111 HydrophobicContact CB-CG1 3.76Å; F91-V111 HydrophobicContact CD1-CB 4.11Å; F91-V111 HydrophobicContact CD1-CG1 3.93Å; F91-V111 HydrophobicContact CD1-CG2 4.47Å; F91-V111 HydrophobicContact CG-CB 4.49Å; F91-V111 HydrophobicContact CG-CG1 3.96Å; F91-I120 HydrophobicContact CE2-CD1 4.13Å; F91-I120 HydrophobicContact CE2-CG1 3.99Å; F91-I120 HydrophobicContact CZ-CG1 3.97Å; F91-V170 HydrophobicContact CD2-CG2 4.29Å; F91-V170 HydrophobicContact CE2-CG2 4.1Å; F91-I190 HydrophobicContact CE2-CB 4.35Å; F91-I190 HydrophobicContact CE2-CG2 4.35Å; F91-I190 HydrophobicContact CZ-CB 4.05Å; F91-I190 HydrophobicContact CZ-CG2 4.43Å
92	Y	89.8	Confident	86.6	Confident	3 Å²	3	51.5 Å²	51.5	1%	0.012	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	29.8	-168.2	-79.4	-83.8	0	0	0	114.6	Y56 Y94 I190 R192 H200 I202	Y56-Y92 HydrophobicContact CD2-CD1 4.02Å; Y56-Y92 AromaticContact CD2-CE1 3.65Å; Y56-Y92 HydrophobicContact CD2-CE1 3.65Å; Y56-Y92 HydrophobicContact CD2-CE2 4.42Å; Y56-Y92 AromaticContact CD2-CZ 3.9Å; Y56-Y92 AromaticContact CE2-CD1 3.56Å; Y56-Y92 HydrophobicContact CE2-CD1 3.56Å; Y56-Y92 AromaticContact CE2-CD2 3.79Å; Y56-Y92 HydrophobicContact CE2-CD2 3.79Å; Y56-Y92 AromaticContact CE2-CE1 3.58Å; Y56-Y92 HydrophobicContact CE2-CE1 3.58Å; Y56-Y92 AromaticContact CE2-CE2 3.84Å; Y56-Y92 HydrophobicContact CE2-CE2 3.84Å; Y56-Y92 AromaticContact CE2-CG 3.67Å; Y56-Y92 HydrophobicContact CE2-CG 3.67Å; Y56-Y92 AromaticContact CE2-CZ 3.75Å; Y56-Y92 PolarHBondContact OH-N 3.15Å; Y92-Y94 WeakPolarHBondContact O-CD2 3.28Å; Y92-Y94 WeakPolarHBondContact O-CE2 3.47Å; Y92-I190 HydrophobicContact CE2-CD1 4.37Å; Y92-R192 HydrophobicContact CD1-CB 4.08Å; Y92-R192 HydrophobicContact CD1-CG 4.41Å; Y92-R192 HydrophobicContact CD2-CB 3.8Å; Y92-R192 HydrophobicContact CD2-CG 4.36Å; Y92-R192 HydrophobicContact CE1-CB 4.1Å; Y92-R192 HydrophobicContact CE2-CB 3.78Å; Y92-R192 HydrophobicContact CG-CB 3.93Å; Y92-R192 HydrophobicContact CG-CG 4.14Å; Y92-H200 AromaticContact CE1-CD2 3.36Å; Y92-H200 WeakPolarHBondContact CE1-CD2 3.36Å; Y92-H200 AromaticContact CE1-NE2 3.7Å; Y92-H200 AromaticContact CZ-CD2 3.61Å; Y92-H200 AromaticContact CZ-NE2 4Å; Y92-H200 PolarHBondContact OH-CD2 3.29Å; Y92-H200 PolarHBondContact OH-NE2 3.41Å; Y92-I202 WeakPolarHBondContact OH-CD1 3.31Å
93	G	86.8	Confident	85.8	Confident	61 Å²	61	50.1 Å²	50.1	63%	0.629	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	8.3	-177.5	0	0	0	0	0	115	F91	F91-G93 PolarHBondContact O-N 3.42Å; F91-G93 VanDerWaalsContact O-N 3.12Å
94	Y	87	Confident	84.7	Confident	78 Å²	78	57.8 Å²	57.8	31%	0.306	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	133.7	176.4	-61.8	-86.2	0	0	0	111.2	S90 F91 Y92 V96 Y116 R192	S90-Y94 CarbonylContact C-O 3.57Å; S90-Y94 WeakPolarHBondContact CA-O 3.34Å; F91-Y94 PolarHBondContact N-O 3.37Å; F91-Y94 PolarHBondContact O-N 3.43Å; Y92-Y94 WeakPolarHBondContact O-CD2 3.28Å; Y92-Y94 WeakPolarHBondContact O-CE2 3.47Å; Y94-V96 PolarHBondContact O-N 3.43Å; Y94-Y116 HydrophobicContact CD1-CD2 4.23Å; Y94-Y116 AromaticContact CE1-CD2 3.66Å; Y94-Y116 HydrophobicContact CE1-CD2 3.66Å; Y94-Y116 AromaticContact CE1-CE2 3.95Å; Y94-Y116 HydrophobicContact CE1-CE2 3.95Å; Y94-Y116 AromaticContact CZ-CD2 3.91Å; Y94-R192 PolarHBondContact OH-NH2 2.92Å
95	H	89	Confident	83.2	Confident	88 Å²	88	56 Å²	56	41%	0.407	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	127	172.8	-179.9	-93.1	0	0	0	110.5	S88 G113	S88-H95 VanDerWaalsContact CB-NE2 3.32Å; S88-H95 WeakPolarHBondContact CB-NE2 3.4Å; S88-H95 PolarHBondContact OG-NE2 3.46Å; H95-G113 WeakPolarHBondContact O-CA 3.47Å
96	V	88.9	Confident	82.1	Confident	4 Å²	4	59.7 Å²	59.7	2%	0.024	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	124.6	-180	-178.6	0	0	0	0	109.1	F89 F91 Y94 I99 V111	F89-V96 HydrophobicContact CD1-CB 4.3Å; F89-V96 HydrophobicContact CD2-CB 4.27Å; F89-V96 HydrophobicContact CD2-CG2 3.92Å; F89-V96 HydrophobicContact CE1-CB 3.95Å; F89-V96 HydrophobicContact CE1-CG1 3.89Å; F89-V96 HydrophobicContact CE1-CG2 4.48Å; F89-V96 HydrophobicContact CE2-CB 3.89Å; F89-V96 HydrophobicContact CE2-CG1 4.2Å; F89-V96 HydrophobicContact CE2-CG2 3.5Å; F89-V96 HydrophobicContact CG-CB 4.46Å; F89-V96 HydrophobicContact CZ-CB 3.71Å; F89-V96 HydrophobicContact CZ-CG1 3.59Å; F89-V96 HydrophobicContact CZ-CG2 3.82Å; F89-V96 PolarHBondContact O-N 2.68Å; F91-V96 HydrophobicContact CB-CG2 3.73Å; Y94-V96 PolarHBondContact O-N 3.43Å; V96-I99 HydrophobicContact CG1-CG2 4.26Å; V96-V111 HydrophobicContact CB-CG1 4.03Å; V96-V111 HydrophobicContact CG1-CG1 3.59Å; V96-V111 HydrophobicContact CG2-CG1 3.22Å
97	Q	85.2	Confident	80.9	Confident	126 Å²	126	54.9 Å²	54.9	59%	0.589	28%	0.279	S	S	*	.			trans	-100.9	-30.8	176.6	-65.7	-178.1	-0.6	0	0	112.3	L112	Q97-L112 PolarHBondContact N-O 2.9Å; Q97-L112 VanDerWaalsContact N-O 3.15Å
98	K	87.3	Confident	79.9	Confident	41 Å²	41	54.2 Å²	54.2	18%	0.178	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	147	-173	-71	-176.4	165.8	-156.3	0	110.9	D82 H83 R84 Y100 L112	D82-K98 VanDerWaalsContact OD1-CD 3.31Å; D82-K98 WeakPolarHBondContact OD1-CD 3.39Å; D82-K98 IonicContact OD1-NZ 3.42Å; D82-K98 PolarHBondContact OD1-NZ 2.93Å; D82-K98 IonicContact OD2-NZ 2.68Å; D82-K98 PolarHBondContact OD2-NZ 3.15Å; H83-K98 WeakPolarHBondContact O-CA 3.27Å; R84-K98 HydrophobicContact CG-CG 3.98Å; R84-K98 VanDerWaalsContact CZ-CE 3.47Å; R84-K98 VanDerWaalsContact NH2-CE 3.33Å; K98-Y100 HydrophobicContact CB-CD2 4.42Å; K98-Y100 HydrophobicContact CB-CE2 3.64Å; K98-Y100 HydrophobicContact CD-CE2 4.14Å; K98-Y100 WeakPolarHBondContact CD-OH 3.09Å; K98-L112 PolarHBondContact O-N 2.88Å
99	I	87.3	Confident	79.2	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.005	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	150.5	166.8	67.3	-179.7	0	0	0	109	H83 P85 F89 V96 V109 Y110 F134 L141	H83-I99 HydrophobicContact CB-CD1 4.11Å; H83-I99 HydrophobicContact CB-CG1 3.73Å; H83-I99 PolarHBondContact N-O 3.48Å; H83-I99 PolarHBondContact O-N 3.21Å; P85-I99 HydrophobicContact CG-CG2 4.08Å; F89-I99 HydrophobicContact CZ-CG2 4.35Å; V96-I99 HydrophobicContact CG1-CG2 4.26Å; I99-V109 HydrophobicContact CB-CG1 4.22Å; I99-Y110 CarbonylContact C-O 3.54Å; I99-Y110 WeakPolarHBondContact CA-O 3.24Å; I99-F134 HydrophobicContact CD1-CE2 4.01Å; I99-F134 HydrophobicContact CD1-CZ 4.33Å; I99-L141 HydrophobicContact CD1-CD1 3.73Å; I99-L141 HydrophobicContact CD1-CD2 3.47Å; I99-L141 VanDerWaalsContact CD1-CD2 3.47Å; I99-L141 HydrophobicContact CD1-CG 4.09Å; I99-L141 HydrophobicContact CG2-CD2 4.26Å
100	Y	83.2	Confident	78.5	Confident	64 Å²	64	53.1 Å²	53.1	25%	0.251	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	145.1	174.4	-57.3	-110	0	0	0	109.2	Y81 D82 K98 V109 Y110 L112	Y81-Y100 VanDerWaalsContact O-CA 3.31Å; Y81-Y100 WeakPolarHBondContact O-CA 3.24Å; D82-Y100 HydrophobicContact CB-CD1 3.7Å; D82-Y100 HydrophobicContact CB-CE1 3.52Å; D82-Y100 WeakPolarHBondContact OD2-CE1 3.32Å; D82-Y100 PolarHBondContact OD2-OH 3Å; K98-Y100 HydrophobicContact CB-CD2 4.42Å; K98-Y100 HydrophobicContact CB-CE2 3.64Å; K98-Y100 HydrophobicContact CD-CE2 4.14Å; K98-Y100 WeakPolarHBondContact CD-OH 3.09Å; Y100-V109 CarbonylContact O-C 3.42Å; Y100-V109 WeakPolarHBondContact O-CA 3.32Å; Y100-Y110 PolarHBondContact N-O 3.48Å; Y100-Y110 PolarHBondContact O-N 3.2Å; Y100-L112 HydrophobicContact CD2-CD1 3.13Å; Y100-L112 HydrophobicContact CD2-CD2 4.35Å; Y100-L112 HydrophobicContact CD2-CG 4.25Å; Y100-L112 HydrophobicContact CE2-CB 4.31Å; Y100-L112 HydrophobicContact CE2-CD1 3.23Å; Y100-L112 HydrophobicContact CE2-CD2 3.65Å; Y100-L112 HydrophobicContact CE2-CG 3.88Å; Y100-L112 HydrophobicContact CG-CD1 4.29Å
101	F	75.6	Confident	77.8	Confident	4 Å²	4	50.5 Å²	50.5	2%	0.018	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	153.8	166.9	54.8	-87.1	0	0	0	110.5	V77 Y81 I108 T132 F134	V77-F101 HydrophobicContact CB-CE2 3.68Å; V77-F101 HydrophobicContact CB-CZ 4.37Å; V77-F101 HydrophobicContact CG1-CD2 4.14Å; V77-F101 HydrophobicContact CG1-CE2 3.47Å; V77-F101 VanDerWaalsContact CG1-CE2 3.47Å; V77-F101 HydrophobicContact CG1-CZ 4.23Å; V77-F101 HydrophobicContact CG2-CE2 3.53Å; V77-F101 HydrophobicContact CG2-CZ 3.73Å; Y81-F101 HydrophobicContact CD1-CD1 4.35Å; Y81-F101 AromaticContact CD1-CE1 3.35Å; Y81-F101 HydrophobicContact CD1-CE1 3.35Å; Y81-F101 HydrophobicContact CD1-CE2 4.48Å; Y81-F101 AromaticContact CD1-CZ 3.41Å; Y81-F101 HydrophobicContact CD1-CZ 3.41Å; Y81-F101 VanDerWaalsContact CD1-CZ 3.41Å; Y81-F101 HydrophobicContact CE1-CE1 4.25Å; Y81-F101 HydrophobicContact CE1-CZ 4.28Å; Y81-F101 HydrophobicContact CG-CE1 4.03Å; Y81-F101 HydrophobicContact CG-CE2 4.47Å; Y81-F101 AromaticContact CG-CZ 3.78Å; Y81-F101 HydrophobicContact CG-CZ 3.78Å; Y81-F101 PolarHBondContact N-O 3.4Å; Y81-F101 VanDerWaalsContact N-O 3.14Å; Y81-F101 PolarHBondContact O-N 3.46Å; F101-I108 WeakPolarHBondContact CB-O 3.35Å; F101-T132 HydrophobicContact CD2-CG2 4.44Å; F101-T132 HydrophobicContact CE2-CG2 4.19Å; F101-F134 AromaticContact CE1-CD2 3.89Å; F101-F134 HydrophobicContact CE1-CD2 3.89Å; F101-F134 HydrophobicContact CE1-CE2 4.04Å; F101-F134 HydrophobicContact CZ-CB 4.33Å; F101-F134 AromaticContact CZ-CD2 3.84Å; F101-F134 HydrophobicContact CZ-CD2 3.84Å; F101-F134 HydrophobicContact CZ-CE2 4.41Å; F101-F134 HydrophobicContact CZ-CG 4.2Å
102	H	67.8	Low	77	Confident	42 Å²	42	52 Å²	52	19%	0.194	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	122.7	-176	-163.6	-58.9	0	0	0	108.9	I80 R104 L105	I80-H102 VanDerWaalsContact CG1-CD2 3.42Å; I80-H102 WeakPolarHBondContact CG1-CD2 3.2Å; H102-R104 PolarHBondContact ND1-N 3.32Å; H102-L105 PolarHBondContact ND1-N 2.99Å
103	E	63.1	Low	75.8	Confident	40 Å²	40	52.1 Å²	52.1	19%	0.187	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-46.2	179.7	-170.9	-162.9	-160.9	0	0	110.6	D78 V79 F130	D78-E103 WeakPolarHBondContact CA-OE2 3.21Å; D78-E103 VanDerWaalsContact O-OE2 3.07Å; V79-E103 PolarHBondContact O-N 3.36Å; E103-F130 VanDerWaalsContact O-CE2 3.31Å; E103-F130 WeakPolarHBondContact O-CE2 3.36Å; E103-F130 WeakPolarHBondContact O-CZ 3.44Å
104	R	61.5	Low	74.8	Confident	184 Å²	184	52.1 Å²	52.1	69%	0.694	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-16.8	-167.2	-55.1	-170	-172.8	164.9	3.4	118	H102	H102-R104 PolarHBondContact ND1-N 3.32Å
105	L	57	Low	73.8	Confident	132 Å²	132	52 Å²	52	69%	0.691	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	-48.3	-167.1	-69.8	176.4	0	0	0	112.2	H102	H102-L105 PolarHBondContact ND1-N 2.99Å
106	Q	65.8	Low	72.8	Confident	94 Å²	94	49.8 Å²	49.8	44%	0.439	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	121.2	-176.9	-65.2	-175.2	-12.5	0	0	109.8	I108 Y110	Q106-I108 HydrophobicContact CB-CB 4.33Å; Q106-I108 HydrophobicContact CB-CD1 3.74Å; Q106-I108 HydrophobicContact CB-CG1 3.96Å; Q106-I108 HydrophobicContact CG-CD1 4.28Å; Q106-I108 PolarHBondContact O-N 3.25Å; Q106-Y110 PolarHBondContact OE1-OH 3.01Å
107	P	66.2	Low	72.4	Confident	13 Å²	13	53.3 Å²	53.3	8%	0.084	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	50.9	173.9	32.5	-37.6	0	0	0	111.6	Y123 F130 R145	P107-Y123 HydrophobicContact CB-CG 4.49Å; P107-Y123 HydrophobicContact CG-CD1 4.14Å; P107-Y123 HydrophobicContact CG-CD2 3.87Å; P107-Y123 HydrophobicContact CG-CG 3.49Å; P107-Y123 VanDerWaalsContact CG-CG 3.49Å; P107-F130 HydrophobicContact CB-CE2 4.15Å; P107-F130 HydrophobicContact CB-CZ 4.16Å; P107-R145 VanDerWaalsContact O-CZ 3.23Å; P107-R145 PolarHBondContact O-NH1 3.14Å; P107-R145 PolarHBondContact O-NH2 3.39Å
108	I	70.5	Confident	72.6	Confident	11 Å²	11	47.6 Å²	47.6	6%	0.056	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	134.9	-177.7	-63.3	171.8	0	0	0	107.7	F101 Q106 Y110 E119 H121	F101-I108 WeakPolarHBondContact CB-O 3.35Å; Q106-I108 HydrophobicContact CB-CB 4.33Å; Q106-I108 HydrophobicContact CB-CD1 3.74Å; Q106-I108 HydrophobicContact CB-CG1 3.96Å; Q106-I108 HydrophobicContact CG-CD1 4.28Å; Q106-I108 PolarHBondContact O-N 3.25Å; I108-Y110 HydrophobicContact CB-CE2 4.2Å; I108-Y110 HydrophobicContact CG2-CD1 4.15Å; I108-Y110 HydrophobicContact CG2-CD2 4.35Å; I108-Y110 HydrophobicContact CG2-CE1 3.88Å; I108-Y110 HydrophobicContact CG2-CE2 4.11Å; I108-Y110 HydrophobicContact CG2-CG 4.37Å; I108-E119 HydrophobicContact CG2-CB 3.94Å; I108-E119 HydrophobicContact CG2-CG 4.26Å; I108-H121 VanDerWaalsContact CD1-CE1 3.42Å; I108-H121 WeakPolarHBondContact CD1-CE1 3.29Å
109	V	76.2	Confident	72.8	Confident	3 Å²	3	47.2 Å²	47.2	2%	0.018	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	111.5	166.6	-178.2	0	0	0	0	107.4	I99 Y100 E119 I120 V143	I99-V109 HydrophobicContact CB-CG1 4.22Å; Y100-V109 CarbonylContact O-C 3.42Å; Y100-V109 WeakPolarHBondContact O-CA 3.32Å; V109-E119 CarbonylContact O-C 3.53Å; V109-E119 WeakPolarHBondContact O-CA 3.35Å; V109-I120 HydrophobicContact CB-CB 4.21Å; V109-I120 PolarHBondContact N-O 2.78Å; V109-I120 PolarHBondContact O-N 3.46Å; V109-V143 HydrophobicContact CG2-CG2 3.99Å
110	Y	77	Confident	73.1	Confident	61 Å²	61	47.2 Å²	47.2	24%	0.239	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	131.4	172.1	-56.9	-85.4	0	0	0	109.1	I99 Y100 Q106 I108 E119	I99-Y110 CarbonylContact C-O 3.54Å; I99-Y110 WeakPolarHBondContact CA-O 3.24Å; Y100-Y110 PolarHBondContact N-O 3.48Å; Y100-Y110 PolarHBondContact O-N 3.2Å; Q106-Y110 PolarHBondContact OE1-OH 3.01Å; I108-Y110 HydrophobicContact CB-CE2 4.2Å; I108-Y110 HydrophobicContact CG2-CD1 4.15Å; I108-Y110 HydrophobicContact CG2-CD2 4.35Å; I108-Y110 HydrophobicContact CG2-CE1 3.88Å; I108-Y110 HydrophobicContact CG2-CE2 4.11Å; I108-Y110 HydrophobicContact CG2-CG 4.37Å; Y110-E119 HydrophobicContact CD1-CG 3.83Å; Y110-E119 HydrophobicContact CE1-CG 4.18Å
111	V	77.1	Confident	73.5	Confident	3 Å²	3	44.7 Å²	44.7	2%	0.018	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	114.3	179.5	-180	0	0	0	0	107.5	F89 F91 V96 G118 I120	F89-V111 HydrophobicContact CE2-CG1 4.43Å; F89-V111 HydrophobicContact CZ-CG1 4.5Å; F91-V111 HydrophobicContact CB-CG1 3.76Å; F91-V111 HydrophobicContact CD1-CB 4.11Å; F91-V111 HydrophobicContact CD1-CG1 3.93Å; F91-V111 HydrophobicContact CD1-CG2 4.47Å; F91-V111 HydrophobicContact CG-CB 4.49Å; F91-V111 HydrophobicContact CG-CG1 3.96Å; V96-V111 HydrophobicContact CB-CG1 4.03Å; V96-V111 HydrophobicContact CG1-CG1 3.59Å; V96-V111 HydrophobicContact CG2-CG1 3.22Å; V111-G118 PolarHBondContact N-O 2.87Å; V111-G118 PolarHBondContact O-N 3.37Å; V111-I120 HydrophobicContact CG2-CD1 3.87Å; V111-I120 HydrophobicContact CG2-CG1 4.17Å
112	L	74.2	Confident	74.4	Confident	38 Å²	38	44.6 Å²	44.6	20%	0.199	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	116.3	-179.2	-74.7	78.2	0	0	0	111.4	Q97 K98 Y100	Q97-L112 PolarHBondContact N-O 2.9Å; Q97-L112 VanDerWaalsContact N-O 3.15Å; K98-L112 PolarHBondContact O-N 2.88Å; Y100-L112 HydrophobicContact CD2-CD1 3.13Å; Y100-L112 HydrophobicContact CD2-CD2 4.35Å; Y100-L112 HydrophobicContact CD2-CG 4.25Å; Y100-L112 HydrophobicContact CE2-CB 4.31Å; Y100-L112 HydrophobicContact CE2-CD1 3.23Å; Y100-L112 HydrophobicContact CE2-CD2 3.65Å; Y100-L112 HydrophobicContact CE2-CG 3.88Å; Y100-L112 HydrophobicContact CG-CD1 4.29Å
113	G	65	Low	75.6	Confident	6 Å²	6	44.3 Å²	44.3	6%	0.062	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	104.8	171.1	0	0	0	0	0	110.9	H95 Y116	H95-G113 WeakPolarHBondContact O-CA 3.47Å; G113-Y116 PolarHBondContact N-O 2.91Å; G113-Y116 PolarHBondContact O-N 2.96Å
114	G	65.7	Low	76.9	Confident	61 Å²	61	42.4 Å²	42.4	63%	0.629	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.7	-141.9	-177.8	0	0	0	0	0	112.9	Y116	G114-Y116 PolarHBondContact O-N 2.92Å
115	P	66	Low	78.2	Confident	75 Å²	75	37.4 Å²	37.4	49%	0.487	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	5.8	179.3	34.6	-35.5	0	0	0	113.8
116	Y	68.7	Low	79.1	Confident	43 Å²	43	37.5 Å²	37.5	17%	0.169	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	142.2	-174.9	-56.1	-75.1	0	0	0	110.8	Y94 G113 G114 F195	Y94-Y116 HydrophobicContact CD1-CD2 4.23Å; Y94-Y116 AromaticContact CE1-CD2 3.66Å; Y94-Y116 HydrophobicContact CE1-CD2 3.66Å; Y94-Y116 AromaticContact CE1-CE2 3.95Å; Y94-Y116 HydrophobicContact CE1-CE2 3.95Å; Y94-Y116 AromaticContact CZ-CD2 3.91Å; G113-Y116 PolarHBondContact N-O 2.91Å; G113-Y116 PolarHBondContact O-N 2.96Å; G114-Y116 PolarHBondContact O-N 2.92Å; Y116-F195 HydrophobicContact CD1-CD2 4.23Å; Y116-F195 AromaticContact CD1-CE2 3.89Å; Y116-F195 HydrophobicContact CD1-CE2 3.89Å; Y116-F195 HydrophobicContact CE1-CD2 4.2Å; Y116-F195 HydrophobicContact CE1-CE2 4.2Å
117	H	79.2	Confident	79.7	Confident	77 Å²	77	35 Å²	35	36%	0.356	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	128.3	178.9	-60.9	-78.5	0	0	0	109.7	V193	H117-V193 HydrophobicContact CB-CB 4.47Å; H117-V193 HydrophobicContact CB-CG2 4.14Å; H117-V193 WeakPolarHBondContact O-CB 3.43Å; H117-V193 WeakPolarHBondContact O-CG2 3.48Å; H117-V193 PolarHBondContact O-N 2.97Å
118	G	89.6	Confident	80.2	Confident	6 Å²	6	39.4 Å²	39.4	6%	0.062	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	156.1	164.3	0	0	0	0	0	109.8	V111 L191	V111-G118 PolarHBondContact N-O 2.87Å; V111-G118 PolarHBondContact O-N 3.37Å; G118-L191 CarbonylContact C-O 3.55Å; G118-L191 WeakPolarHBondContact CA-O 3.46Å
119	E	91.6	Very high	81	Confident	33 Å²	33	46.1 Å²	46.1	15%	0.154	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	143.2	178.3	-55.6	-176.8	-171.5	0	0	110.9	I108 V109 Y110 H121 L191	I108-E119 HydrophobicContact CG2-CB 3.94Å; I108-E119 HydrophobicContact CG2-CG 4.26Å; V109-E119 CarbonylContact O-C 3.53Å; V109-E119 WeakPolarHBondContact O-CA 3.35Å; Y110-E119 HydrophobicContact CD1-CG 3.83Å; Y110-E119 HydrophobicContact CE1-CG 4.18Å; E119-H121 WeakPolarHBondContact CB-NE2 3.28Å; E119-H121 IonicContact OE2-CD2 2.69Å; E119-H121 IonicContact OE2-CE1 2.68Å; E119-H121 PolarHBondContact OE2-CE1 3.16Å; E119-H121 IonicContact OE2-NE2 2.72Å; E119-H121 PolarHBondContact OE2-NE2 2.92Å; E119-L191 HydrophobicContact CB-CB 4.24Å; E119-L191 HydrophobicContact CB-CD2 4.14Å; E119-L191 HydrophobicContact CG-CD2 4.08Å; E119-L191 PolarHBondContact N-O 2.96Å; E119-L191 PolarHBondContact O-N 2.81Å
120	I	93.5	Very high	81.5	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	117.1	174.3	-61.8	170.2	0	0	0	107	F91 V109 V111 I164 V170 F172 I190	F91-I120 HydrophobicContact CE2-CD1 4.13Å; F91-I120 HydrophobicContact CE2-CG1 3.99Å; F91-I120 HydrophobicContact CZ-CG1 3.97Å; V109-I120 HydrophobicContact CB-CB 4.21Å; V109-I120 PolarHBondContact N-O 2.78Å; V109-I120 PolarHBondContact O-N 3.46Å; V111-I120 HydrophobicContact CG2-CD1 3.87Å; V111-I120 HydrophobicContact CG2-CG1 4.17Å; I120-I164 HydrophobicContact CD1-CD1 3.67Å; I120-I164 HydrophobicContact CD1-CG1 4.03Å; I120-V170 HydrophobicContact CD1-CG1 4.04Å; I120-V170 HydrophobicContact CD1-CG2 4.01Å; I120-V170 HydrophobicContact CG2-CG1 4.17Å; I120-F172 HydrophobicContact CG2-CE1 3.43Å; I120-F172 VanDerWaalsContact CG2-CE1 3.43Å; I120-F172 HydrophobicContact CG2-CZ 3.65Å; I120-I190 HydrophobicContact CG1-CG2 4.27Å
121	H	93.2	Very high	82.1	Confident	11 Å²	11	49 Å²	49	5%	0.051	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	126.9	-175.8	-69.3	-149.1	0	0	0	107.5	I108 E119 Y123 S188 K189	I108-H121 VanDerWaalsContact CD1-CE1 3.42Å; I108-H121 WeakPolarHBondContact CD1-CE1 3.29Å; E119-H121 WeakPolarHBondContact CB-NE2 3.28Å; E119-H121 IonicContact OE2-CD2 2.69Å; E119-H121 IonicContact OE2-CE1 2.68Å; E119-H121 PolarHBondContact OE2-CE1 3.16Å; E119-H121 IonicContact OE2-NE2 2.72Å; E119-H121 PolarHBondContact OE2-NE2 2.92Å; H121-Y123 HydrophobicContact CB-CD1 4.1Å; H121-Y123 HydrophobicContact CB-CE1 3.97Å; H121-Y123 AromaticContact ND1-CE1 3.77Å; H121-S188 CarbonylContact O-C 3.57Å; H121-S188 VanDerWaalsContact O-CA 3.25Å; H121-S188 WeakPolarHBondContact O-CA 3.5Å; H121-K189 HydrophobicContact CB-CD 4.47Å; H121-K189 HydrophobicContact CB-CG 3.58Å; H121-K189 PolarHBondContact N-O 3.21Å; H121-K189 WeakPolarHBondContact ND1-CE 2.94Å; H121-K189 PolarHBondContact O-N 3.39Å
122	N	94.4	Very high	82.6	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	88.8	174.2	-166.7	19.5	0	0	0	108.2	T161 S162 F172 Y174 Q187 S188	N122-T161 PolarHBondContact ND2-O 2.03Å; N122-T161 VanDerWaalsContact ND2-O 3.15Å; N122-S162 WeakPolarHBondContact CB-OG 3.21Å; N122-S162 PolarHBondContact ND2-OG 3.18Å; N122-F172 HydrophobicContact CB-CD1 4.22Å; N122-F172 HydrophobicContact CB-CE1 4.22Å; N122-Y174 VanDerWaalsContact OD1-CE1 3.28Å; N122-Y174 WeakPolarHBondContact OD1-CE1 3.44Å; N122-Q187 WeakPolarHBondContact CA-O 3.41Å; N122-S188 PolarHBondContact OD1-OG 2.87Å
123	Y	92	Very high	83.4	Confident	36 Å²	36	48 Å²	48	14%	0.141	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	167.9	-169.1	73.2	-85.6	0	0	0	114.1	P107 H121 E125 Q187	P107-Y123 HydrophobicContact CB-CG 4.49Å; P107-Y123 HydrophobicContact CG-CD1 4.14Å; P107-Y123 HydrophobicContact CG-CD2 3.87Å; P107-Y123 HydrophobicContact CG-CG 3.49Å; P107-Y123 VanDerWaalsContact CG-CG 3.49Å; H121-Y123 HydrophobicContact CB-CD1 4.1Å; H121-Y123 HydrophobicContact CB-CE1 3.97Å; H121-Y123 AromaticContact ND1-CE1 3.77Å; Y123-E125 HydrophobicContact CD2-CG 4.25Å; Y123-E125 HydrophobicContact CE2-CG 3.5Å; Y123-E125 VanDerWaalsContact CE2-CG 3.5Å; Y123-E125 PolarHBondContact OH-OE1 2.91Å; Y123-Q187 HydrophobicContact CD1-CB 4.11Å; Y123-Q187 HydrophobicContact CD2-CB 4.43Å; Y123-Q187 HydrophobicContact CE1-CB 3.67Å; Y123-Q187 HydrophobicContact CE2-CB 4.03Å; Y123-Q187 HydrophobicContact CE2-CG 4.26Å; Y123-Q187 HydrophobicContact CG-CB 4.45Å; Y123-Q187 PolarHBondContact N-O 3.49Å; Y123-Q187 PolarHBondContact O-N 2.78Å; Y123-Q187 VanDerWaalsContact O-O 3.12Å
124	I	91.4	Very high	84.5	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	122.5	177.7	-55.3	179.6	0	0	0	108.5	N127 F147 I149 A158 M160 I177 I181 K185 L186	I124-N127 PolarHBondContact O-ND2 2.88Å; I124-F147 HydrophobicContact CB-CD1 4.33Å; I124-F147 HydrophobicContact CB-CG 4.21Å; I124-F147 HydrophobicContact CD1-CB 4.14Å; I124-F147 HydrophobicContact CD1-CD2 3.96Å; I124-F147 HydrophobicContact CD1-CG 4.16Å; I124-F147 HydrophobicContact CG1-CD2 4.05Å; I124-F147 HydrophobicContact CG1-CE2 4.41Å; I124-F147 HydrophobicContact CG1-CG 4.22Å; I124-I149 HydrophobicContact CB-CD1 4.46Å; I124-I149 HydrophobicContact CD1-CD1 3.43Å; I124-I149 VanDerWaalsContact CD1-CD1 3.43Å; I124-I149 HydrophobicContact CG1-CD1 4.5Å; I124-I149 HydrophobicContact CG2-CD1 3.93Å; I124-I149 HydrophobicContact CG2-CG1 4.42Å; I124-A158 HydrophobicContact CD1-CB 3.7Å; I124-M160 HydrophobicContact CD1-CE 3.73Å; I124-M160 HydrophobicContact CD1-CG 4.46Å; I124-M160 HydrophobicContact CD1-SD 4.14Å; I124-M160 HydrophobicContact CG1-CE 3.42Å; I124-M160 VanDerWaalsContact CG1-CE 3.42Å; I124-M160 HydrophobicContact CG1-SD 3.64Å; I124-I177 HydrophobicContact CD1-CD1 4.4Å; I124-I181 HydrophobicContact CG2-CD1 3.77Å; I124-K185 CarbonylContact C-O 3.49Å; I124-K185 WeakPolarHBondContact CA-O 3.44Å; I124-K185 HydrophobicContact CG2-CB 4.42Å; I124-L186 HydrophobicContact CD1-CD2 4.09Å; I124-L186 HydrophobicContact CG1-CD2 3.95Å; I124-L186 HydrophobicContact CG2-CD2 4.5Å
125	E	87.3	Confident	85.7	Confident	78 Å²	78	45.2 Å²	45.2	36%	0.364	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	151.6	175.6	-73.6	-174.9	-176.9	0	0	112.1	Y123 N127 K185 Q187	Y123-E125 HydrophobicContact CD2-CG 4.25Å; Y123-E125 HydrophobicContact CE2-CG 3.5Å; Y123-E125 VanDerWaalsContact CE2-CG 3.5Å; Y123-E125 PolarHBondContact OH-OE1 2.91Å; E125-N127 PolarHBondContact O-N 3.12Å; E125-K185 HydrophobicContact CB-CB 4.27Å; E125-K185 PolarHBondContact N-O 3.47Å; E125-Q187 HydrophobicContact CG-CG 4.23Å
126	N	77.6	Confident	86.9	Confident	135 Å²	135	42.6 Å²	42.6	72%	0.722	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	36.7	179.9	-61.7	-27.3	0	0	0	113.3
127	N	77.4	Confident	88	Confident	41 Å²	41	43.4 Å²	43.4	22%	0.219	21%	0.212	C	C	.	.			trans	-69.7	152.4	167.1	63.6	69.4	0	0	0	110.3	I124 E125 F130 F147	I124-N127 PolarHBondContact O-ND2 2.88Å; E125-N127 PolarHBondContact O-N 3.12Å; N127-F130 WeakPolarHBondContact OD1-CD1 3.46Å; N127-F147 HydrophobicContact CB-CB 4.39Å; N127-F147 HydrophobicContact CB-CD1 4.01Å
128	E	77.8	Confident	88.5	Confident	106 Å²	106	47 Å²	47	50%	0.495	23%	0.229	S	C	.	.	S	Bend	trans	-79.2	-42	178.1	-65.1	-169.4	171.9	0	0	111	S148 N150	E128-S148 PolarHBondContact N-O 3.23Å; E128-N150 WeakPolarHBondContact OE1-CB 3.31Å
129	K	85.6	Confident	88.6	Confident	151 Å²	151	54.2 Å²	54.2	66%	0.657	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-153.1	157.7	178.6	-63.1	-179.1	-173.7	165.9	0	109	S148	K129-S148 PolarHBondContact O-N 2.96Å
130	F	87.7	Confident	88.7	Confident	35 Å²	35	53.4 Å²	53.4	15%	0.154	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	147.5	166.2	65.9	-84.9	0	0	0	111.9	E103 P107 N127 N146 F147	E103-F130 VanDerWaalsContact O-CE2 3.31Å; E103-F130 WeakPolarHBondContact O-CE2 3.36Å; E103-F130 WeakPolarHBondContact O-CZ 3.44Å; P107-F130 HydrophobicContact CB-CE2 4.15Å; P107-F130 HydrophobicContact CB-CZ 4.16Å; N127-F130 WeakPolarHBondContact OD1-CD1 3.46Å; F130-N146 CarbonylContact C-O 3.55Å; F130-N146 WeakPolarHBondContact CA-O 3.48Å; F130-N146 WeakPolarHBondContact CB-O 3.34Å; F130-F147 HydrophobicContact CB-CD1 3.53Å; F130-F147 HydrophobicContact CB-CE1 3.85Å; F130-F147 HydrophobicContact CB-CG 4.25Å; F130-F147 HydrophobicContact CD1-CE1 4.43Å; F130-F147 HydrophobicContact CD2-CE1 4.41Å; F130-F147 HydrophobicContact CG-CD1 4.14Å; F130-F147 HydrophobicContact CG-CE1 4.01Å
131	D	88.3	Confident	88.7	Confident	90 Å²	90	53.4 Å²	53.4	48%	0.481	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	139.8	172	-69.5	-19.7	0	0	0	109.1	R145 N146	D131-R145 VanDerWaalsContact O-CA 3.32Å; D131-R145 WeakPolarHBondContact O-CA 3.45Å; D131-N146 PolarHBondContact N-O 2.72Å; D131-N146 PolarHBondContact O-N 2.85Å
132	T	88.7	Confident	88.7	Confident	6 Å²	6	52.9 Å²	52.9	4%	0.037	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	130.1	175.2	-57.8	0	0	0	0	110.6	V77 F101 V143 Q144 R145	V77-T132 PolarHBondContact N-O 3.34Å; F101-T132 HydrophobicContact CD2-CG2 4.44Å; F101-T132 HydrophobicContact CE2-CG2 4.19Å; T132-V143 HydrophobicContact CG2-CG1 3.7Å; T132-Q144 WeakPolarHBondContact CA-O 3.44Å; T132-R145 HydrophobicContact CG2-CG 4.22Å
133	A	90.2	Very high	88.6	Confident	13 Å²	13	53.1 Å²	53.1	11%	0.107	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	142.4	174.4	0	0	0	0	0	110.7	F73 N75 Q144	F73-A133 HydrophobicContact CB-CB 3.68Å; F73-A133 WeakPolarHBondContact O-CB 3.5Å; N75-A133 CarbonylContact O-C 3.51Å; N75-A133 WeakPolarHBondContact O-CA 3.33Å; A133-Q144 PolarHBondContact N-O 2.69Å; A133-Q144 PolarHBondContact O-N 3.03Å
134	F	88.8	Confident	88.6	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.009	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	146.3	-169	178.7	-102.5	0	0	0	112.2	N75 V77 Y81 H83 I99 F101 D136 L141 G142 V143	N75-F134 HydrophobicContact CB-CB 4.15Å; N75-F134 HydrophobicContact CB-CD1 4.38Å; N75-F134 PolarHBondContact N-O 3.5Å; N75-F134 PolarHBondContact O-N 2.99Å; V77-F134 HydrophobicContact CG2-CB 4.28Å; Y81-F134 HydrophobicContact CE1-CD1 4.13Å; Y81-F134 AromaticContact CE1-CE1 3.8Å; Y81-F134 HydrophobicContact CE1-CE1 3.8Å; Y81-F134 HydrophobicContact CE1-CZ 4Å; H83-F134 AromaticContact CD2-CZ 3.47Å; H83-F134 VanDerWaalsContact CD2-CZ 3.47Å; H83-F134 WeakPolarHBondContact CD2-CZ 3.46Å; H83-F134 AromaticContact CG-CZ 3.93Å; H83-F134 AromaticContact NE2-CE1 3.96Å; H83-F134 AromaticContact NE2-CZ 3.74Å; I99-F134 HydrophobicContact CD1-CE2 4.01Å; I99-F134 HydrophobicContact CD1-CZ 4.33Å; F101-F134 AromaticContact CE1-CD2 3.89Å; F101-F134 HydrophobicContact CE1-CD2 3.89Å; F101-F134 HydrophobicContact CE1-CE2 4.04Å; F101-F134 HydrophobicContact CZ-CB 4.33Å; F101-F134 AromaticContact CZ-CD2 3.84Å; F101-F134 HydrophobicContact CZ-CD2 3.84Å; F101-F134 HydrophobicContact CZ-CE2 4.41Å; F101-F134 HydrophobicContact CZ-CG 4.2Å; F134-D136 HydrophobicContact CD1-CB 4.41Å; F134-D136 HydrophobicContact CE1-CB 3.38Å; F134-D136 HydrophobicContact CZ-CB 3.53Å; F134-L141 HydrophobicContact CE1-CD1 4.48Å; F134-L141 HydrophobicContact CE2-CD1 3.4Å; F134-L141 VanDerWaalsContact CE2-CD1 3.4Å; F134-L141 HydrophobicContact CE2-CG 4.4Å; F134-L141 HydrophobicContact CZ-CD1 3.32Å; F134-G142 WeakPolarHBondContact CD2-O 3.2Å; F134-V143 HydrophobicContact CD2-CG2 4.1Å
135	L	91.2	Very high	88.7	Confident	7 Å²	7	52 Å²	52	4%	0.037	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	130.4	176.2	176	66	0	0	0	108.5	V68 R72 F73 E137 L140 L141 G142	V68-L135 HydrophobicContact CG1-CD2 3.81Å; R72-L135 HydrophobicContact CB-CD1 4.26Å; R72-L135 HydrophobicContact CB-CD2 4.35Å; F73-L135 HydrophobicContact CD1-CB 3.73Å; F73-L135 HydrophobicContact CE1-CB 3.89Å; F73-L135 HydrophobicContact CE1-CD2 4.43Å; F73-L135 HydrophobicContact CG-CB 4.36Å; F73-L135 HydrophobicContact CZ-CD2 4.38Å; L135-E137 HydrophobicContact CD1-CG 3.84Å; L135-E137 WeakPolarHBondContact CD1-OE1 3.22Å; L135-E137 HydrophobicContact CG-CG 4.39Å; L135-L140 HydrophobicContact CD2-CD2 4.15Å; L135-L141 CarbonylContact O-C 3.59Å; L135-L141 WeakPolarHBondContact O-CA 3.33Å; L135-G142 PolarHBondContact N-O 3.08Å; L135-G142 PolarHBondContact O-N 3.12Å
136	D	90.7	Very high	88.9	Confident	21 Å²	21	50.6 Å²	50.6	11%	0.112	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	120.6	172.2	174.2	57.9	0	0	0	109.4	H83 Q86 F134 L141	H83-D136 IonicContact CD2-OD2 3.17Å; H83-D136 IonicContact CE1-OD2 3.32Å; H83-D136 PolarHBondContact CE1-OD2 2.84Å; H83-D136 VanDerWaalsContact CE1-OD2 3.26Å; H83-D136 IonicContact NE2-OD1 3.73Å; H83-D136 IonicContact NE2-OD2 2.7Å; H83-D136 PolarHBondContact NE2-OD2 3.5Å; Q86-D136 WeakPolarHBondContact CG-OD2 3.12Å; Q86-D136 PolarHBondContact N-OD1 3.05Å; Q86-D136 VanDerWaalsContact N-OD1 3.12Å; Q86-D136 VanDerWaalsContact NE2-C 3.32Å; Q86-D136 VanDerWaalsContact NE2-CG 3.34Å; Q86-D136 PolarHBondContact NE2-O 2.01Å; Q86-D136 PolarHBondContact NE2-OD2 2.98Å; F134-D136 HydrophobicContact CD1-CB 4.41Å; F134-D136 HydrophobicContact CE1-CB 3.38Å; F134-D136 HydrophobicContact CZ-CB 3.53Å; D136-L141 HydrophobicContact CB-CD1 3.87Å
137	E	91.6	Very high	89.7	Confident	60 Å²	60	44.2 Å²	44.2	28%	0.28	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	167.2	-176	-61	179.7	163	0	0	108.6	R72 F87 L135 E139 L140	R72-E137 IonicContact CZ-OE1 3.92Å; R72-E137 IonicContact CZ-OE2 3.61Å; R72-E137 IonicContact NE-OE1 3.04Å; R72-E137 IonicContact NH1-OE2 2.77Å; R72-E137 IonicContact NH2-OE1 3.11Å; R72-E137 PolarHBondContact NH2-OE1 2.99Å; R72-E137 IonicContact NH2-OE2 2.7Å; R72-E137 PolarHBondContact NH2-OE2 3.38Å; F87-E137 VanDerWaalsContact CD1-O 3.32Å; F87-E137 WeakPolarHBondContact CD1-O 3.42Å; F87-E137 WeakPolarHBondContact CE1-O 3.06Å; L135-E137 HydrophobicContact CD1-CG 3.84Å; L135-E137 WeakPolarHBondContact CD1-OE1 3.22Å; L135-E137 HydrophobicContact CG-CG 4.39Å; E137-E139 PolarHBondContact O-N 3.27Å; E137-E139 VanDerWaalsContact O-N 3.15Å; E137-L140 PolarHBondContact N-O 3.5Å; E137-L140 PolarHBondContact O-N 3.21Å
138	E	91	Very high	90.4	Very high	152 Å²	152	43 Å²	43	71%	0.71	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-30.7	-177.7	-62.8	-175.9	171.3	0	0	113.6	F87	F87-E138 VanDerWaalsContact CD1-O 3.29Å; F87-E138 WeakPolarHBondContact CD1-O 3.38Å
139	E	91.1	Very high	91	Very high	158 Å²	158	38.2 Å²	38.2	74%	0.738	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108	-5	-175.9	-61.1	-171.7	161.8	0	0	113.8	E137 P166	E137-E139 PolarHBondContact O-N 3.27Å; E137-E139 VanDerWaalsContact O-N 3.15Å; E139-P166 WeakPolarHBondContact O-CD 3.36Å
140	L	93.7	Very high	91.2	Very high	15 Å²	15	34.8 Å²	34.8	8%	0.079	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	134.4	-172.6	-163.3	66.6	0	0	0	113.5	V68 L135 E137 L163 H165	V68-L140 HydrophobicContact CG2-CD2 3.43Å; V68-L140 VanDerWaalsContact CG2-CD2 3.43Å; L135-L140 HydrophobicContact CD2-CD2 4.15Å; E137-L140 PolarHBondContact N-O 3.5Å; E137-L140 PolarHBondContact O-N 3.21Å; L140-L163 HydrophobicContact CD1-CB 4.21Å; L140-L163 HydrophobicContact CD2-CD2 4.13Å; L140-L163 HydrophobicContact CG-CD2 4.38Å; L140-H165 WeakPolarHBondContact CD1-CE1 3.27Å; L140-H165 WeakPolarHBondContact CD1-ND1 3.42Å
141	L	92.8	Very high	91.1	Very high	2 Å²	2	34 Å²	34	1%	0.01	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	132.7	168.9	175.3	75.5	0	0	0	108.1	P85 F87 F89 I99 F134 L135 D136 L163 I164	P85-L141 HydrophobicContact CB-CD2 4.3Å; P85-L141 HydrophobicContact CG-CD2 4.1Å; F87-L141 HydrophobicContact CE1-CB 3.85Å; F87-L141 HydrophobicContact CZ-CB 3.61Å; F89-L141 HydrophobicContact CE1-CD2 4.46Å; I99-L141 HydrophobicContact CD1-CD1 3.73Å; I99-L141 HydrophobicContact CD1-CD2 3.47Å; I99-L141 VanDerWaalsContact CD1-CD2 3.47Å; I99-L141 HydrophobicContact CD1-CG 4.09Å; I99-L141 HydrophobicContact CG2-CD2 4.26Å; F134-L141 HydrophobicContact CE1-CD1 4.48Å; F134-L141 HydrophobicContact CE2-CD1 3.4Å; F134-L141 VanDerWaalsContact CE2-CD1 3.4Å; F134-L141 HydrophobicContact CE2-CG 4.4Å; F134-L141 HydrophobicContact CZ-CD1 3.32Å; L135-L141 CarbonylContact O-C 3.59Å; L135-L141 WeakPolarHBondContact O-CA 3.33Å; D136-L141 HydrophobicContact CB-CD1 3.87Å; L141-L163 CarbonylContact O-C 3.59Å; L141-L163 WeakPolarHBondContact O-CA 3.35Å; L141-I164 HydrophobicContact CB-CB 4.21Å; L141-I164 HydrophobicContact CD2-CB 4.2Å; L141-I164 HydrophobicContact CD2-CD1 3.72Å; L141-I164 PolarHBondContact N-O 3.41Å; L141-I164 PolarHBondContact O-N 3.12Å
142	G	93.2	Very high	91.1	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	142.7	-173.5	0	0	0	0	0	113.6	F134 L135 S162	F134-G142 WeakPolarHBondContact CD2-O 3.2Å; L135-G142 PolarHBondContact N-O 3.08Å; L135-G142 PolarHBondContact O-N 3.12Å; G142-S162 CarbonylContact C-O 3.53Å; G142-S162 VanDerWaalsContact CA-O 3.31Å; G142-S162 WeakPolarHBondContact CA-O 3.46Å
143	V	92.3	Very high	91	Very high	6 Å²	6	39.5 Å²	39.5	4%	0.036	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	118	170.9	-177.7	0	0	0	0	108	V109 T132 F134 R145 T161 S162	V109-V143 HydrophobicContact CG2-CG2 3.99Å; T132-V143 HydrophobicContact CG2-CG1 3.7Å; F134-V143 HydrophobicContact CD2-CG2 4.1Å; V143-R145 HydrophobicContact CG1-CG 4.26Å; V143-T161 CarbonylContact O-C 3.43Å; V143-T161 WeakPolarHBondContact O-CA 3.42Å; V143-S162 PolarHBondContact N-O 3.24Å; V143-S162 PolarHBondContact O-N 2.83Å
144	Q	93	Very high	90.9	Very high	9 Å²	9	43.3 Å²	43.3	4%	0.042	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	133.9	173.4	-179.4	173.7	92.3	0	0	109.3	S70 F73 T132 A133 T159 T161	S70-Q144 PolarHBondContact OG-NE2 3.26Å; S70-Q144 VanDerWaalsContact OG-NE2 3.11Å; F73-Q144 HydrophobicContact CB-CB 4.27Å; F73-Q144 HydrophobicContact CD1-CB 3.58Å; F73-Q144 HydrophobicContact CD2-CB 4.1Å; F73-Q144 HydrophobicContact CE1-CB 3.82Å; F73-Q144 HydrophobicContact CE2-CB 4.32Å; F73-Q144 HydrophobicContact CG-CB 3.73Å; F73-Q144 HydrophobicContact CZ-CB 4.19Å; T132-Q144 WeakPolarHBondContact CA-O 3.44Å; A133-Q144 PolarHBondContact N-O 2.69Å; A133-Q144 PolarHBondContact O-N 3.03Å; Q144-T159 HydrophobicContact CG-CG2 3.66Å; Q144-T161 PolarHBondContact NE2-OG1 3.16Å
145	R	92	Very high	91	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.015	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	128.9	177.9	-64.8	-170.7	178.1	103.6	-0.8	111.1	P107 D131 T132 V143 F147 T159 M160	P107-R145 VanDerWaalsContact O-CZ 3.23Å; P107-R145 PolarHBondContact O-NH1 3.14Å; P107-R145 PolarHBondContact O-NH2 3.39Å; D131-R145 VanDerWaalsContact O-CA 3.32Å; D131-R145 WeakPolarHBondContact O-CA 3.45Å; T132-R145 HydrophobicContact CG2-CG 4.22Å; V143-R145 HydrophobicContact CG1-CG 4.26Å; R145-F147 HydrophobicContact CB-CD2 4.25Å; R145-F147 HydrophobicContact CB-CE2 3.48Å; R145-F147 VanDerWaalsContact CB-CE2 3.48Å; R145-F147 HydrophobicContact CB-CZ 3.64Å; R145-F147 HydrophobicContact CG-CZ 4.33Å; R145-T159 CarbonylContact O-C 3.55Å; R145-T159 VanDerWaalsContact O-CA 3.3Å; R145-T159 WeakPolarHBondContact O-CA 3.26Å; R145-M160 PolarHBondContact N-O 3.12Å; R145-M160 PolarHBondContact O-N 2.83Å
146	N	93.2	Very high	91.1	Very high	49 Å²	49	50.9 Å²	50.9	26%	0.262	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	110.8	175.6	-61.7	-27.9	0	0	0	108	F130 D131 T157 A158 T159	F130-N146 CarbonylContact C-O 3.55Å; F130-N146 WeakPolarHBondContact CA-O 3.48Å; F130-N146 WeakPolarHBondContact CB-O 3.34Å; D131-N146 PolarHBondContact N-O 2.72Å; D131-N146 PolarHBondContact O-N 2.85Å; N146-T157 HydrophobicContact CB-CG2 3.92Å; N146-A158 CarbonylContact C-O 3.59Å; N146-A158 WeakPolarHBondContact CA-O 2.96Å; N146-T159 VanDerWaalsContact OD1-CG2 3.25Å; N146-T159 WeakPolarHBondContact OD1-CG2 3.23Å; N146-T159 PolarHBondContact OD1-OG1 3.24Å
147	F	93.1	Very high	91.3	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	126.8	-179.9	-61.7	-84	0	0	0	110	I124 N127 F130 R145 I149 T157 A158 M160	I124-F147 HydrophobicContact CB-CD1 4.33Å; I124-F147 HydrophobicContact CB-CG 4.21Å; I124-F147 HydrophobicContact CD1-CB 4.14Å; I124-F147 HydrophobicContact CD1-CD2 3.96Å; I124-F147 HydrophobicContact CD1-CG 4.16Å; I124-F147 HydrophobicContact CG1-CD2 4.05Å; I124-F147 HydrophobicContact CG1-CE2 4.41Å; I124-F147 HydrophobicContact CG1-CG 4.22Å; N127-F147 HydrophobicContact CB-CB 4.39Å; N127-F147 HydrophobicContact CB-CD1 4.01Å; F130-F147 HydrophobicContact CB-CD1 3.53Å; F130-F147 HydrophobicContact CB-CE1 3.85Å; F130-F147 HydrophobicContact CB-CG 4.25Å; F130-F147 HydrophobicContact CD1-CE1 4.43Å; F130-F147 HydrophobicContact CD2-CE1 4.41Å; F130-F147 HydrophobicContact CG-CD1 4.14Å; F130-F147 HydrophobicContact CG-CE1 4.01Å; R145-F147 HydrophobicContact CB-CD2 4.25Å; R145-F147 HydrophobicContact CB-CE2 3.48Å; R145-F147 VanDerWaalsContact CB-CE2 3.48Å; R145-F147 HydrophobicContact CB-CZ 3.64Å; R145-F147 HydrophobicContact CG-CZ 4.33Å; F147-I149 HydrophobicContact CB-CD1 4.25Å; F147-I149 HydrophobicContact CB-CG1 4.13Å; F147-T157 CarbonylContact O-C 3.56Å; F147-T157 WeakPolarHBondContact O-CA 3.01Å; F147-A158 PolarHBondContact N-O 3.49Å; F147-A158 PolarHBondContact O-N 3.5Å; F147-M160 HydrophobicContact CD2-CG 4.16Å; F147-M160 HydrophobicContact CD2-SD 4.44Å; F147-M160 HydrophobicContact CE2-CB 4.02Å; F147-M160 HydrophobicContact CE2-CG 3.9Å; F147-M160 HydrophobicContact CE2-SD 3.96Å
148	S	92.7	Very high	91.5	Very high	15 Å²	15	50.5 Å²	50.5	11%	0.105	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	121.4	168.1	-151.8	0	0	0	0	109.9	E128 K129 E155	E128-S148 PolarHBondContact N-O 3.23Å; K129-S148 PolarHBondContact O-N 2.96Å; S148-E155 WeakPolarHBondContact OG-CG 3.43Å; S148-E155 PolarHBondContact OG-OE1 2.8Å
149	I	90.9	Very high	91.7	Very high	7 Å²	7	44 Å²	44	4%	0.036	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	133.4	-172.3	-51.9	164.7	0	0	0	109.1	I124 F147 V151 V156 A158 I181	I124-I149 HydrophobicContact CB-CD1 4.46Å; I124-I149 HydrophobicContact CD1-CD1 3.43Å; I124-I149 VanDerWaalsContact CD1-CD1 3.43Å; I124-I149 HydrophobicContact CG1-CD1 4.5Å; I124-I149 HydrophobicContact CG2-CD1 3.93Å; I124-I149 HydrophobicContact CG2-CG1 4.42Å; F147-I149 HydrophobicContact CB-CD1 4.25Å; F147-I149 HydrophobicContact CB-CG1 4.13Å; I149-V151 HydrophobicContact CG2-CG2 4.14Å; I149-V156 PolarHBondContact N-O 3.36Å; I149-V156 PolarHBondContact O-N 3.37Å; I149-A158 HydrophobicContact CD1-CB 3.54Å; I149-I181 HydrophobicContact CD1-CD1 3.94Å; I149-I181 HydrophobicContact CG2-CD1 4.27Å
150	N	88.9	Confident	91.9	Very high	79 Å²	79	36.6 Å²	36.6	42%	0.422	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	117.8	170.3	-163	-58.4	0	0	0	110.9	E128 G153	E128-N150 WeakPolarHBondContact OE1-CB 3.31Å; N150-G153 VanDerWaalsContact OD1-CA 3.23Å; N150-G153 WeakPolarHBondContact OD1-CA 3.35Å; N150-G153 PolarHBondContact OD1-N 2.87Å
151	V	86	Confident	92	Very high	19 Å²	19	35.9 Å²	35.9	12%	0.115	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	114.3	172.7	-176.8	0	0	0	0	108.3	I149 G153 T154 P178 E180	I149-V151 HydrophobicContact CG2-CG2 4.14Å; V151-G153 PolarHBondContact O-N 2.9Å; V151-G153 VanDerWaalsContact O-N 3.13Å; V151-T154 PolarHBondContact N-O 3.15Å; V151-T154 PolarHBondContact O-N 2.89Å; V151-P178 HydrophobicContact CG2-CB 3.78Å; V151-P178 HydrophobicContact CG2-CG 3.78Å; V151-E180 HydrophobicContact CG1-CB 3.89Å
152	N	87.6	Confident	92.1	Very high	147 Å²	147	36.1 Å²	36.1	79%	0.786	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	36.5	179	-59	-29.4	0	0	0	113.7	T154	N152-T154 VanDerWaalsContact C-N 3.34Å
153	G	86.3	Confident	92.3	Very high	63 Å²	63	36.2 Å²	36.2	65%	0.649	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.3	-0.8	-179.7	0	0	0	0	0	115.1	N150 V151	N150-G153 VanDerWaalsContact OD1-CA 3.23Å; N150-G153 WeakPolarHBondContact OD1-CA 3.35Å; N150-G153 PolarHBondContact OD1-N 2.87Å; V151-G153 PolarHBondContact O-N 2.9Å; V151-G153 VanDerWaalsContact O-N 3.13Å
154	T	89.9	Confident	92.4	Very high	93 Å²	93	36.4 Å²	36.4	57%	0.571	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-106.7	131.4	174.8	-54.4	0	0	0	0	110.1	V151 N152 V156	V151-T154 PolarHBondContact N-O 3.15Å; V151-T154 PolarHBondContact O-N 2.89Å; N152-T154 VanDerWaalsContact C-N 3.34Å; T154-V156 HydrophobicContact CG2-CG2 4.42Å
155	E	90.3	Very high	92.5	Very high	118 Å²	118	38 Å²	38	55%	0.551	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	124.1	172.6	-169.7	-179.5	-129.9	0	0	109.7	S148	S148-E155 WeakPolarHBondContact OG-CG 3.43Å; S148-E155 PolarHBondContact OG-OE1 2.8Å
156	V	92.8	Very high	92.5	Very high	51 Å²	51	40.4 Å²	40.4	31%	0.309	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	138.7	177.9	-178.7	0	0	0	0	109.1	I149 T154 P178	I149-V156 PolarHBondContact N-O 3.36Å; I149-V156 PolarHBondContact O-N 3.37Å; T154-V156 HydrophobicContact CG2-CG2 4.42Å; V156-P178 HydrophobicContact CB-CG 4.33Å; V156-P178 HydrophobicContact CG1-CG 4.03Å
157	T	94.5	Very high	92.4	Very high	73 Å²	73	42.6 Å²	42.6	45%	0.448	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	115.9	174.7	-50.4	0	0	0	0	110.8	N146 F147 N176	N146-T157 HydrophobicContact CB-CG2 3.92Å; F147-T157 CarbonylContact O-C 3.56Å; F147-T157 WeakPolarHBondContact O-CA 3.01Å; T157-N176 WeakPolarHBondContact O-CB 3.33Å
158	A	95.5	Very high	92.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	138.1	171.4	0	0	0	0	0	109.8	I124 N146 F147 I149 I177	I124-A158 HydrophobicContact CD1-CB 3.7Å; N146-A158 CarbonylContact C-O 3.59Å; N146-A158 WeakPolarHBondContact CA-O 2.96Å; F147-A158 PolarHBondContact N-O 3.49Å; F147-A158 PolarHBondContact O-N 3.5Å; I149-A158 HydrophobicContact CD1-CB 3.54Å; A158-I177 HydrophobicContact CB-CD1 3.94Å
159	T	95.6	Very high	92.5	Very high	16 Å²	16	43.7 Å²	43.7	10%	0.098	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	129.1	-179.3	-55	0	0	0	0	110.1	Q144 R145 N146 D175	Q144-T159 HydrophobicContact CG-CG2 3.66Å; R145-T159 CarbonylContact O-C 3.55Å; R145-T159 VanDerWaalsContact O-CA 3.3Å; R145-T159 WeakPolarHBondContact O-CA 3.26Å; N146-T159 VanDerWaalsContact OD1-CG2 3.25Å; N146-T159 WeakPolarHBondContact OD1-CG2 3.23Å; N146-T159 PolarHBondContact OD1-OG1 3.24Å; T159-D175 PolarHBondContact N-O 2.9Å; T159-D175 PolarHBondContact O-N 3.14Å
160	M	95.8	Very high	92.7	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	124.9	173.1	-55.4	-171.9	147.7	0	0	109.5	I124 R145 F147 Y174 I177 L186 I209	I124-M160 HydrophobicContact CD1-CE 3.73Å; I124-M160 HydrophobicContact CD1-CG 4.46Å; I124-M160 HydrophobicContact CD1-SD 4.14Å; I124-M160 HydrophobicContact CG1-CE 3.42Å; I124-M160 VanDerWaalsContact CG1-CE 3.42Å; I124-M160 HydrophobicContact CG1-SD 3.64Å; R145-M160 PolarHBondContact N-O 3.12Å; R145-M160 PolarHBondContact O-N 2.83Å; F147-M160 HydrophobicContact CD2-CG 4.16Å; F147-M160 HydrophobicContact CD2-SD 4.44Å; F147-M160 HydrophobicContact CE2-CB 4.02Å; F147-M160 HydrophobicContact CE2-CG 3.9Å; F147-M160 HydrophobicContact CE2-SD 3.96Å; M160-Y174 HydrophobicContact CB-CD1 4.37Å; M160-Y174 HydrophobicContact CE-CD1 3.92Å; M160-Y174 HydrophobicContact CE-CE1 4.14Å; M160-Y174 HydrophobicContact CG-CD1 4.02Å; M160-Y174 HydrophobicContact SD-CD1 4.37Å; M160-Y174 HydrophobicContact SD-CE1 4.49Å; M160-I177 HydrophobicContact CE-CD1 4Å; M160-I177 HydrophobicContact CG-CD1 4.26Å; M160-L186 HydrophobicContact CE-CD2 3.78Å; M160-I209 HydrophobicContact CE-CG2 3.65Å
161	T	96	Very high	93.2	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	132.3	-178.8	-55.5	0	0	0	0	109.7	F73 N122 V143 Q144 L163 F172 H173	F73-T161 HydrophobicContact CE1-CG2 4.14Å; F73-T161 HydrophobicContact CE2-CG2 4.3Å; F73-T161 HydrophobicContact CZ-CG2 3.55Å; N122-T161 PolarHBondContact ND2-O 2.03Å; N122-T161 VanDerWaalsContact ND2-O 3.15Å; V143-T161 CarbonylContact O-C 3.43Å; V143-T161 WeakPolarHBondContact O-CA 3.42Å; Q144-T161 PolarHBondContact NE2-OG1 3.16Å; T161-L163 HydrophobicContact CG2-CD2 3.96Å; T161-L163 HydrophobicContact CG2-CG 4.16Å; T161-F172 CarbonylContact O-C 3.56Å; T161-F172 VanDerWaalsContact O-CA 3.29Å; T161-F172 WeakPolarHBondContact O-CA 3.44Å; T161-H173 PolarHBondContact N-O 3.26Å; T161-H173 PolarHBondContact O-N 3.38Å
162	S	95.6	Very high	93.8	Very high	6 Å²	6	38.9 Å²	38.9	4%	0.042	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	129.6	171.1	-65.6	0	0	0	0	109.4	N122 G142 V143 S171 F172	N122-S162 WeakPolarHBondContact CB-OG 3.21Å; N122-S162 PolarHBondContact ND2-OG 3.18Å; G142-S162 CarbonylContact C-O 3.53Å; G142-S162 VanDerWaalsContact CA-O 3.31Å; G142-S162 WeakPolarHBondContact CA-O 3.46Å; V143-S162 PolarHBondContact N-O 3.24Å; V143-S162 PolarHBondContact O-N 2.83Å; S162-S171 CarbonylContact C-O 3.58Å; S162-S171 WeakPolarHBondContact CA-O 3.43Å; S162-F172 WeakPolarHBondContact OG-CD1 3.13Å; S162-F172 WeakPolarHBondContact OG-CE1 3.42Å
163	L	95.8	Very high	94.3	Very high	4 Å²	4	32 Å²	32	2%	0.021	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	144.6	178.9	-60.1	178.8	0	0	0	110.1	P67 V68 F73 L140 L141 T161 V170 S171	P67-L163 HydrophobicContact CB-CD1 3.98Å; P67-L163 HydrophobicContact CG-CD1 3.58Å; V68-L163 HydrophobicContact CG2-CD1 3.69Å; V68-L163 HydrophobicContact CG2-CD2 4.02Å; F73-L163 HydrophobicContact CE1-CD2 4.47Å; F73-L163 HydrophobicContact CZ-CD2 4.01Å; L140-L163 HydrophobicContact CD1-CB 4.21Å; L140-L163 HydrophobicContact CD2-CD2 4.13Å; L140-L163 HydrophobicContact CG-CD2 4.38Å; L141-L163 CarbonylContact O-C 3.59Å; L141-L163 WeakPolarHBondContact O-CA 3.35Å; T161-L163 HydrophobicContact CG2-CD2 3.96Å; T161-L163 HydrophobicContact CG2-CG 4.16Å; L163-V170 CarbonylContact O-C 3.55Å; L163-V170 VanDerWaalsContact O-CA 3.3Å; L163-V170 WeakPolarHBondContact O-CA 3.5Å; L163-S171 PolarHBondContact N-O 3.44Å; L163-S171 PolarHBondContact O-N 2.95Å
164	I	95.4	Very high	94.8	Very high	9 Å²	9	29 Å²	29	5%	0.046	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	127.7	175	-60.2	164.9	0	0	0	107.2	F87 F89 I120 L141 K169 V170	F87-I164 HydrophobicContact CE2-CG2 4.42Å; F87-I164 WeakPolarHBondContact CZ-O 3.49Å; F89-I164 HydrophobicContact CD1-CG2 4.18Å; F89-I164 HydrophobicContact CD2-CG2 3.83Å; F89-I164 HydrophobicContact CE1-CG2 3.97Å; F89-I164 HydrophobicContact CE2-CG2 3.64Å; F89-I164 HydrophobicContact CG-CG2 4.1Å; F89-I164 HydrophobicContact CZ-CD1 4.3Å; F89-I164 HydrophobicContact CZ-CG2 3.72Å; I120-I164 HydrophobicContact CD1-CD1 3.67Å; I120-I164 HydrophobicContact CD1-CG1 4.03Å; L141-I164 HydrophobicContact CB-CB 4.21Å; L141-I164 HydrophobicContact CD2-CB 4.2Å; L141-I164 HydrophobicContact CD2-CD1 3.72Å; L141-I164 PolarHBondContact N-O 3.41Å; L141-I164 PolarHBondContact O-N 3.12Å; I164-K169 WeakPolarHBondContact CA-O 3.49Å; I164-V170 HydrophobicContact CG1-CG2 4.35Å
165	H	94.4	Very high	95.2	Very high	43 Å²	43	26.4 Å²	26.4	20%	0.199	14%	0.143	C	C	.	.			trans	-103.1	159.2	-179.6	-62.9	-90.9	0	0	0	111.4	L140 N167 G168 K169	L140-H165 WeakPolarHBondContact CD1-CE1 3.27Å; L140-H165 WeakPolarHBondContact CD1-ND1 3.42Å; H165-N167 VanDerWaalsContact CB-OD1 3.32Å; H165-N167 WeakPolarHBondContact CB-OD1 3.47Å; H165-N167 PolarHBondContact O-N 2.89Å; H165-N167 VanDerWaalsContact O-N 3.15Å; H165-G168 WeakPolarHBondContact O-CA 3.42Å; H165-G168 PolarHBondContact O-N 3.3Å; H165-K169 HydrophobicContact CB-CB 4.19Å; H165-K169 VanDerWaalsContact CD2-CE 3.43Å; H165-K169 WeakPolarHBondContact CD2-CE 3.45Å; H165-K169 PolarHBondContact N-O 3.47Å
166	P	92.9	Very high	95.4	Very high	54 Å²	54	26 Å²	26	35%	0.351	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-31.6	178.1	-29.1	34.3	0	0	0	115	F87 F89 E139 G168	F87-P166 HydrophobicContact CB-CB 4.5Å; F87-P166 HydrophobicContact CB-CG 4.39Å; F87-P166 HydrophobicContact CD1-CG 4.25Å; F87-P166 VanDerWaalsContact CD2-CA 3.49Å; F87-P166 HydrophobicContact CD2-CB 3.95Å; F87-P166 HydrophobicContact CD2-CG 3.94Å; F87-P166 HydrophobicContact CE2-CB 4.44Å; F87-P166 HydrophobicContact CE2-CG 4.24Å; F87-P166 HydrophobicContact CG-CB 4.25Å; F87-P166 HydrophobicContact CG-CG 3.92Å; F89-P166 WeakPolarHBondContact CB-O 3.32Å; E139-P166 WeakPolarHBondContact O-CD 3.36Å; P166-G168 PolarHBondContact O-N 3.17Å
167	N	90.6	Very high	95.6	Very high	95 Å²	95	24 Å²	24	51%	0.508	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	2.2	175.9	68.3	-4.2	0	0	0	113.9	H165 K169	H165-N167 VanDerWaalsContact CB-OD1 3.32Å; H165-N167 WeakPolarHBondContact CB-OD1 3.47Å; H165-N167 PolarHBondContact O-N 2.89Å; H165-N167 VanDerWaalsContact O-N 3.15Å; N167-K169 VanDerWaalsContact C-N 3.33Å; N167-K169 WeakPolarHBondContact OD1-CB 3.44Å; N167-K169 PolarHBondContact OD1-N 2.79Å
168	G	92.2	Very high	95.6	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.01	12%	0.116	C	C	.	.	S	Bend	trans	82.6	3.6	-177.7	0	0	0	0	0	114.7	S90 H165 P166	S90-G168 WeakPolarHBondContact O-CA 3.4Å; H165-G168 WeakPolarHBondContact O-CA 3.42Å; H165-G168 PolarHBondContact O-N 3.3Å; P166-G168 PolarHBondContact O-N 3.17Å
169	K	94.7	Very high	95.4	Very high	37 Å²	37	30.8 Å²	30.8	16%	0.161	16%	0.157	C	C	.	.			trans	-63.2	134.2	172.2	-174.2	175.9	70.6	165.7	0	109.7	I164 H165 N167 E216 Y217	I164-K169 WeakPolarHBondContact CA-O 3.49Å; H165-K169 HydrophobicContact CB-CB 4.19Å; H165-K169 VanDerWaalsContact CD2-CE 3.43Å; H165-K169 WeakPolarHBondContact CD2-CE 3.45Å; H165-K169 PolarHBondContact N-O 3.47Å; N167-K169 VanDerWaalsContact C-N 3.33Å; N167-K169 WeakPolarHBondContact OD1-CB 3.44Å; N167-K169 PolarHBondContact OD1-N 2.79Å; K169-E216 HydrophobicContact CD-CB 4.45Å; K169-E216 IonicContact NZ-OE1 3.83Å; K169-E216 PolarHBondContact NZ-OE1 2.85Å; K169-Y217 WeakPolarHBondContact CA-O 3.38Å; K169-Y217 WeakPolarHBondContact CG-O 3.43Å
170	V	96.9	Very high	95.2	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	127.5	174.7	-178.5	0	0	0	0	108.6	F91 I120 L163 I164 F172 I190 Y217	F91-V170 HydrophobicContact CD2-CG2 4.29Å; F91-V170 HydrophobicContact CE2-CG2 4.1Å; I120-V170 HydrophobicContact CD1-CG1 4.04Å; I120-V170 HydrophobicContact CD1-CG2 4.01Å; I120-V170 HydrophobicContact CG2-CG1 4.17Å; L163-V170 CarbonylContact O-C 3.55Å; L163-V170 VanDerWaalsContact O-CA 3.3Å; L163-V170 WeakPolarHBondContact O-CA 3.5Å; I164-V170 HydrophobicContact CG1-CG2 4.35Å; V170-F172 HydrophobicContact CG1-CD1 4.43Å; V170-F172 HydrophobicContact CG1-CE1 3.77Å; V170-F172 HydrophobicContact CG1-CZ 4.29Å; V170-I190 HydrophobicContact CG1-CG2 4.21Å; V170-Y217 HydrophobicContact CB-CD2 4.43Å; V170-Y217 PolarHBondContact N-O 2.91Å; V170-Y217 PolarHBondContact O-N 2.82Å
171	S	97.7	Very high	95	Very high	4 Å²	4	37.1 Å²	37.1	3%	0.028	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	139.4	179.3	-56.1	0	0	0	0	111.7	S162 L163 V215	S162-S171 CarbonylContact C-O 3.58Å; S162-S171 WeakPolarHBondContact CA-O 3.43Å; L163-S171 PolarHBondContact N-O 3.44Å; L163-S171 PolarHBondContact O-N 2.95Å; S171-V215 CarbonylContact C-O 3.52Å; S171-V215 WeakPolarHBondContact CA-O 3.36Å; S171-V215 WeakPolarHBondContact CB-O 3.42Å
172	F	98.4	Very high	94.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	136.7	169.3	-55.6	-30.7	0	0	0	110.1	I120 N122 T161 S162 V170 Y174 I190 V204 L214 V215 Y217	I120-F172 HydrophobicContact CG2-CE1 3.43Å; I120-F172 VanDerWaalsContact CG2-CE1 3.43Å; I120-F172 HydrophobicContact CG2-CZ 3.65Å; N122-F172 HydrophobicContact CB-CD1 4.22Å; N122-F172 HydrophobicContact CB-CE1 4.22Å; T161-F172 CarbonylContact O-C 3.56Å; T161-F172 VanDerWaalsContact O-CA 3.29Å; T161-F172 WeakPolarHBondContact O-CA 3.44Å; S162-F172 WeakPolarHBondContact OG-CD1 3.13Å; S162-F172 WeakPolarHBondContact OG-CE1 3.42Å; V170-F172 HydrophobicContact CG1-CD1 4.43Å; V170-F172 HydrophobicContact CG1-CE1 3.77Å; V170-F172 HydrophobicContact CG1-CZ 4.29Å; F172-Y174 HydrophobicContact CB-CE1 4.26Å; F172-Y174 HydrophobicContact CB-CE2 4.43Å; F172-I190 HydrophobicContact CZ-CG2 4.06Å; F172-V204 HydrophobicContact CD2-CG2 3.93Å; F172-V204 HydrophobicContact CE2-CG2 4.28Å; F172-L214 CarbonylContact O-C 3.54Å; F172-L214 WeakPolarHBondContact O-CA 3.37Å; F172-V215 HydrophobicContact CB-CB 4.2Å; F172-V215 PolarHBondContact N-O 2.76Å; F172-V215 PolarHBondContact O-N 3.03Å; F172-Y217 AromaticContact CD2-CE2 3.81Å; F172-Y217 HydrophobicContact CD2-CE2 3.81Å; F172-Y217 HydrophobicContact CE2-CD2 4.41Å; F172-Y217 AromaticContact CE2-CE2 3.48Å; F172-Y217 HydrophobicContact CE2-CE2 3.48Å; F172-Y217 VanDerWaalsContact CE2-CE2 3.48Å; F172-Y217 HydrophobicContact CZ-CE2 4.06Å
173	H	98.4	Very high	94.6	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.009	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	145.5	172.8	-178.4	-92.1	0	0	0	109.8	Q64 P65 Q66 P67 T161 D175 T213 L214	Q64-H173 PolarHBondContact O-NE2 3.32Å; Q64-H173 VanDerWaalsContact O-NE2 3.15Å; P65-H173 PolarHBondContact O-NE2 2.02Å; Q66-H173 VanDerWaalsContact CA-CE1 3.49Å; Q66-H173 WeakPolarHBondContact CA-CE1 3.38Å; P67-H173 HydrophobicContact CG-CB 4.13Å; T161-H173 PolarHBondContact N-O 3.26Å; T161-H173 PolarHBondContact O-N 3.38Å; H173-D175 IonicContact CE1-OD1 2.68Å; H173-D175 PolarHBondContact CE1-OD1 3.34Å; H173-D175 IonicContact CE1-OD2 3.16Å; H173-D175 PolarHBondContact CE1-OD2 3.34Å; H173-D175 IonicContact ND1-OD1 2.58Å; H173-D175 IonicContact ND1-OD2 3.75Å; H173-D175 PolarHBondContact ND1-OD2 3.08Å; H173-D175 VanDerWaalsContact ND1-OD2 3.11Å; H173-T213 WeakPolarHBondContact CA-O 3.47Å; H173-L214 HydrophobicContact CB-CD1 4.18Å
174	Y	98.3	Very high	94.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	126.7	-173.8	-43.6	-78.3	0	0	0	110.9	N122 M160 F172 S188 I209 S211 G212 T213 V215	N122-Y174 VanDerWaalsContact OD1-CE1 3.28Å; N122-Y174 WeakPolarHBondContact OD1-CE1 3.44Å; M160-Y174 HydrophobicContact CB-CD1 4.37Å; M160-Y174 HydrophobicContact CE-CD1 3.92Å; M160-Y174 HydrophobicContact CE-CE1 4.14Å; M160-Y174 HydrophobicContact CG-CD1 4.02Å; M160-Y174 HydrophobicContact SD-CD1 4.37Å; M160-Y174 HydrophobicContact SD-CE1 4.49Å; F172-Y174 HydrophobicContact CB-CE1 4.26Å; F172-Y174 HydrophobicContact CB-CE2 4.43Å; Y174-S188 WeakPolarHBondContact CE1-OG 3.33Å; Y174-S188 WeakPolarHBondContact OH-CB 3.34Å; Y174-S188 PolarHBondContact OH-OG 2.9Å; Y174-I209 HydrophobicContact CD1-CG2 3.76Å; Y174-I209 HydrophobicContact CD2-CG2 4.39Å; Y174-I209 HydrophobicContact CE1-CG1 4.46Å; Y174-I209 HydrophobicContact CE1-CG2 3.68Å; Y174-I209 HydrophobicContact CE2-CG1 4.39Å; Y174-I209 HydrophobicContact CE2-CG2 4.32Å; Y174-I209 HydrophobicContact CG-CG2 4.11Å; Y174-S211 CarbonylContact O-C 3.43Å; Y174-S211 WeakPolarHBondContact O-CA 3.32Å; Y174-G212 PolarHBondContact O-N 3.37Å; Y174-T213 HydrophobicContact CD2-CG2 4.35Å; Y174-T213 WeakPolarHBondContact CD2-O 3.43Å; Y174-T213 HydrophobicContact CE2-CG2 4.32Å; Y174-T213 PolarHBondContact N-O 3.5Å; Y174-V215 HydrophobicContact CE2-CG2 3.92Å
175	D	97	Very high	94.3	Very high	39 Å²	39	48 Å²	48	21%	0.209	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	143	177.4	-70.3	-62.5	0	0	0	110	T159 H173 I177	T159-D175 PolarHBondContact N-O 2.9Å; T159-D175 PolarHBondContact O-N 3.14Å; H173-D175 IonicContact CE1-OD1 2.68Å; H173-D175 PolarHBondContact CE1-OD1 3.34Å; H173-D175 IonicContact CE1-OD2 3.16Å; H173-D175 PolarHBondContact CE1-OD2 3.34Å; H173-D175 IonicContact ND1-OD1 2.58Å; H173-D175 IonicContact ND1-OD2 3.75Å; H173-D175 PolarHBondContact ND1-OD2 3.08Å; H173-D175 VanDerWaalsContact ND1-OD2 3.11Å; D175-I177 PolarHBondContact O-N 3.41Å; D175-I177 VanDerWaalsContact O-N 3.12Å
176	N	95.7	Very high	94.3	Very high	109 Å²	109	46.3 Å²	46.3	58%	0.583	25%	0.245	S	C	*	.	S	Bend	trans	51	35	177.1	-67.2	-12	0	0	0	115.1	T157 P178 S211	T157-N176 WeakPolarHBondContact O-CB 3.33Å; N176-P178 VanDerWaalsContact O-CD 3.27Å; N176-P178 WeakPolarHBondContact O-CD 3.47Å; N176-S211 WeakPolarHBondContact CA-OG 3.13Å; N176-S211 PolarHBondContact N-OG 2.96Å
177	I	95.9	Very high	94.4	Very high	10 Å²	10	46.2 Å²	46.2	5%	0.051	24%	0.239	C	C	.	.			trans	-69.9	118.4	169.1	-51	-52.7	0	0	0	108.9	I124 A158 M160 D175 I181 L186 S211	I124-I177 HydrophobicContact CD1-CD1 4.4Å; A158-I177 HydrophobicContact CB-CD1 3.94Å; M160-I177 HydrophobicContact CE-CD1 4Å; M160-I177 HydrophobicContact CG-CD1 4.26Å; D175-I177 PolarHBondContact O-N 3.41Å; D175-I177 VanDerWaalsContact O-N 3.12Å; I177-I181 HydrophobicContact CG2-CG2 4.13Å; I177-L186 HydrophobicContact CG2-CD1 4.2Å; I177-L186 HydrophobicContact CG2-CD2 4.15Å; I177-S211 PolarHBondContact N-OG 3.3Å; I177-S211 PolarHBondContact O-OG 2.9Å
178	P	94	Very high	94.7	Very high	16 Å²	16	41.8 Å²	41.8	10%	0.104	22%	0.216	C	C	.	.			trans	-60.9	143.7	178	-22.1	34	0	0	0	111.4	V151 V156 N176 E180 I181	V151-P178 HydrophobicContact CG2-CB 3.78Å; V151-P178 HydrophobicContact CG2-CG 3.78Å; V156-P178 HydrophobicContact CB-CG 4.33Å; V156-P178 HydrophobicContact CG1-CG 4.03Å; N176-P178 VanDerWaalsContact O-CD 3.27Å; N176-P178 WeakPolarHBondContact O-CD 3.47Å; P178-E180 VanDerWaalsContact C-N 3.3Å; P178-E180 PolarHBondContact O-N 3.28Å; P178-I181 HydrophobicContact CB-CB 4.48Å; P178-I181 WeakPolarHBondContact O-CG2 3.35Å
179	K	93	Very high	94.9	Very high	200 Å²	200	43.6 Å²	43.6	87%	0.87	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-26.7	-177.8	-68.1	-179.7	-178.4	176	0	112.4	I181	K179-I181 VanDerWaalsContact C-N 3.35Å
180	E	91.5	Very high	94.9	Very high	125 Å²	125	41.8 Å²	41.8	58%	0.584	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-5.2	-175	-56.1	72.5	-160	0	0	112.7	V151 P178	V151-E180 HydrophobicContact CG1-CB 3.89Å; P178-E180 VanDerWaalsContact C-N 3.3Å; P178-E180 PolarHBondContact O-N 3.28Å
181	I	91.3	Very high	94.8	Very high	24 Å²	24	42.4 Å²	42.4	12%	0.123	22%	0.219	C	C	.	.	S	Bend	trans	-64.8	138.2	178.9	-162.6	171.3	0	0	0	110.3	I124 I149 I177 P178 K179 G183 L186	I124-I181 HydrophobicContact CG2-CD1 3.77Å; I149-I181 HydrophobicContact CD1-CD1 3.94Å; I149-I181 HydrophobicContact CG2-CD1 4.27Å; I177-I181 HydrophobicContact CG2-CG2 4.13Å; P178-I181 HydrophobicContact CB-CB 4.48Å; P178-I181 WeakPolarHBondContact O-CG2 3.35Å; K179-I181 VanDerWaalsContact C-N 3.35Å; I181-G183 PolarHBondContact O-N 3.47Å; I181-L186 HydrophobicContact CD1-CD2 3.96Å; I181-L186 HydrophobicContact CG2-CD1 3.77Å; I181-L186 HydrophobicContact CG2-CD2 4.24Å; I181-L186 HydrophobicContact CG2-CG 4.14Å
182	D	91	Very high	94.4	Very high	91 Å²	91	42.7 Å²	42.7	49%	0.487	22%	0.22	S	C	.	.			trans	-63.5	120.7	171.5	178.7	6.4	0	0	0	109.9	S184 K185	D182-S184 PolarHBondContact O-N 3.17Å; D182-S184 VanDerWaalsContact O-N 3.11Å; D182-S184 PolarHBondContact OD1-N 3.1Å; D182-S184 PolarHBondContact OD1-OG 3.07Å; D182-S184 PolarHBondContact OD2-OG 2.84Å; D182-K185 HydrophobicContact CB-CD 4.49Å; D182-K185 HydrophobicContact CB-CG 4.33Å; D182-K185 WeakPolarHBondContact O-CB 3.31Å; D182-K185 PolarHBondContact O-N 2.76Å
183	G	91.8	Very high	93.9	Very high	26 Å²	26	43.9 Å²	43.9	27%	0.268	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-58.2	-23.1	178.5	0	0	0	0	0	113.7	I181 K185 L186 A206	I181-G183 PolarHBondContact O-N 3.47Å; G183-K185 PolarHBondContact O-N 2.7Å; G183-L186 PolarHBondContact O-N 2.84Å; G183-A206 VanDerWaalsContact O-CB 3.3Å; G183-A206 WeakPolarHBondContact O-CB 3.38Å
184	S	91.8	Very high	93.2	Very high	68 Å²	68	44.2 Å²	44.2	48%	0.476	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-62.4	-28.4	175	79.5	0	0	0	0	112.9	D182 Q187	D182-S184 PolarHBondContact O-N 3.17Å; D182-S184 VanDerWaalsContact O-N 3.11Å; D182-S184 PolarHBondContact OD1-N 3.1Å; D182-S184 PolarHBondContact OD1-OG 3.07Å; D182-S184 PolarHBondContact OD2-OG 2.84Å; S184-Q187 PolarHBondContact O-NE2 3.24Å
185	K	92.3	Very high	92.3	Very high	64 Å²	64	51 Å²	51	28%	0.278	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-79.3	-17.6	179.2	-60	-176.6	-179.1	-175.4	0	113.3	I124 E125 D182 G183	I124-K185 CarbonylContact C-O 3.49Å; I124-K185 WeakPolarHBondContact CA-O 3.44Å; I124-K185 HydrophobicContact CG2-CB 4.42Å; E125-K185 HydrophobicContact CB-CB 4.27Å; E125-K185 PolarHBondContact N-O 3.47Å; D182-K185 HydrophobicContact CB-CD 4.49Å; D182-K185 HydrophobicContact CB-CG 4.33Å; D182-K185 WeakPolarHBondContact O-CB 3.31Å; D182-K185 PolarHBondContact O-N 2.76Å; G183-K185 PolarHBondContact O-N 2.7Å
186	L	94.9	Very high	91.6	Very high	8 Å²	8	51.9 Å²	51.9	4%	0.042	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	111.6	-176.8	-64.7	175.2	0	0	0	109.6	I124 M160 I177 I181 G183 I209	I124-L186 HydrophobicContact CD1-CD2 4.09Å; I124-L186 HydrophobicContact CG1-CD2 3.95Å; I124-L186 HydrophobicContact CG2-CD2 4.5Å; M160-L186 HydrophobicContact CE-CD2 3.78Å; I177-L186 HydrophobicContact CG2-CD1 4.2Å; I177-L186 HydrophobicContact CG2-CD2 4.15Å; I181-L186 HydrophobicContact CD1-CD2 3.96Å; I181-L186 HydrophobicContact CG2-CD1 3.77Å; I181-L186 HydrophobicContact CG2-CD2 4.24Å; I181-L186 HydrophobicContact CG2-CG 4.14Å; G183-L186 PolarHBondContact O-N 2.84Å; L186-I209 HydrophobicContact CB-CB 4.17Å; L186-I209 HydrophobicContact CB-CD1 3.87Å; L186-I209 HydrophobicContact CB-CG2 4Å; L186-I209 HydrophobicContact CD1-CB 3.99Å; L186-I209 HydrophobicContact CD1-CG2 3.94Å; L186-I209 WeakPolarHBondContact CD1-O 3.3Å; L186-I209 HydrophobicContact CD2-CG2 4.05Å; L186-I209 HydrophobicContact CG-CG2 4.24Å
187	Q	94.3	Very high	90.9	Very high	51 Å²	51	50.6 Å²	50.6	24%	0.238	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	106.7	-174.1	-64.9	-64	-36.1	0	0	111	N122 Y123 E125 S184	N122-Q187 WeakPolarHBondContact CA-O 3.41Å; Y123-Q187 HydrophobicContact CD1-CB 4.11Å; Y123-Q187 HydrophobicContact CD2-CB 4.43Å; Y123-Q187 HydrophobicContact CE1-CB 3.67Å; Y123-Q187 HydrophobicContact CE2-CB 4.03Å; Y123-Q187 HydrophobicContact CE2-CG 4.26Å; Y123-Q187 HydrophobicContact CG-CB 4.45Å; Y123-Q187 PolarHBondContact N-O 3.49Å; Y123-Q187 PolarHBondContact O-N 2.78Å; Y123-Q187 VanDerWaalsContact O-O 3.12Å; E125-Q187 HydrophobicContact CG-CG 4.23Å; S184-Q187 PolarHBondContact O-NE2 3.24Å
188	S	97	Very high	90.5	Very high	2 Å²	2	58 Å²	58	1%	0.014	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	122.3	173.8	-53.3	0	0	0	0	109.5	H121 N122 Y174 V204	H121-S188 CarbonylContact O-C 3.57Å; H121-S188 VanDerWaalsContact O-CA 3.25Å; H121-S188 WeakPolarHBondContact O-CA 3.5Å; N122-S188 PolarHBondContact OD1-OG 2.87Å; Y174-S188 WeakPolarHBondContact CE1-OG 3.33Å; Y174-S188 WeakPolarHBondContact OH-CB 3.34Å; Y174-S188 PolarHBondContact OH-OG 2.9Å; S188-V204 PolarHBondContact O-N 2.88Å
189	K	96.5	Very high	90.2	Very high	39 Å²	39	60.4 Å²	60.4	17%	0.17	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	153.7	-174.9	56.8	-169.8	176.3	-164.1	0	111.5	H121 V201 I202 P203	H121-K189 HydrophobicContact CB-CD 4.47Å; H121-K189 HydrophobicContact CB-CG 3.58Å; H121-K189 PolarHBondContact N-O 3.21Å; H121-K189 WeakPolarHBondContact ND1-CE 2.94Å; H121-K189 PolarHBondContact O-N 3.39Å; K189-V201 HydrophobicContact CB-CG1 3.97Å; K189-V201 HydrophobicContact CD-CG1 3.62Å; K189-V201 HydrophobicContact CG-CG1 4.22Å; K189-I202 WeakPolarHBondContact CA-O 2.81Å; K189-P203 HydrophobicContact CB-CB 4.35Å
190	I	95.8	Very high	90.2	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	143.7	160.2	62.1	169.7	0	0	0	109.1	Y56 F91 Y92 I120 V170 F172 I202 Y217	Y56-I190 HydrophobicContact CD1-CD1 3.92Å; Y56-I190 HydrophobicContact CD2-CD1 4.14Å; Y56-I190 HydrophobicContact CE1-CD1 4.08Å; Y56-I190 HydrophobicContact CE2-CD1 4.3Å; Y56-I190 HydrophobicContact CG-CD1 3.95Å; F91-I190 HydrophobicContact CE2-CB 4.35Å; F91-I190 HydrophobicContact CE2-CG2 4.35Å; F91-I190 HydrophobicContact CZ-CB 4.05Å; F91-I190 HydrophobicContact CZ-CG2 4.43Å; Y92-I190 HydrophobicContact CE2-CD1 4.37Å; I120-I190 HydrophobicContact CG1-CG2 4.27Å; V170-I190 HydrophobicContact CG1-CG2 4.21Å; F172-I190 HydrophobicContact CZ-CG2 4.06Å; I190-I202 HydrophobicContact CD1-CD1 4.03Å; I190-I202 HydrophobicContact CG1-CB 3.89Å; I190-I202 HydrophobicContact CG1-CD1 4.22Å; I190-I202 HydrophobicContact CG1-CG1 4.38Å; I190-I202 PolarHBondContact N-O 2.84Å; I190-I202 PolarHBondContact O-N 3.08Å; I190-Y217 HydrophobicContact CD1-CD1 3.55Å; I190-Y217 HydrophobicContact CD1-CD2 4.48Å; I190-Y217 HydrophobicContact CD1-CE1 4.08Å; I190-Y217 HydrophobicContact CD1-CG 3.75Å; I190-Y217 HydrophobicContact CG1-CD1 3.9Å; I190-Y217 HydrophobicContact CG1-CE1 3.89Å; I190-Y217 HydrophobicContact CG1-CG 4.24Å; I190-Y217 HydrophobicContact CG2-CD2 3.99Å; I190-Y217 HydrophobicContact CG2-CE2 4.07Å; I190-Y217 HydrophobicContact CG2-CG 4.31Å
191	L	93.1	Very high	90.3	Very high	13 Å²	13	47.3 Å²	47.3	7%	0.068	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	142.8	-173.7	177.9	153.3	0	0	0	110.8	G118 E119 V193 D199 H200 V201	G118-L191 CarbonylContact C-O 3.55Å; G118-L191 WeakPolarHBondContact CA-O 3.46Å; E119-L191 HydrophobicContact CB-CB 4.24Å; E119-L191 HydrophobicContact CB-CD2 4.14Å; E119-L191 HydrophobicContact CG-CD2 4.08Å; E119-L191 PolarHBondContact N-O 2.96Å; E119-L191 PolarHBondContact O-N 2.81Å; L191-V193 HydrophobicContact CD2-CG2 3.75Å; L191-D199 HydrophobicContact CD1-CB 3.99Å; L191-D199 HydrophobicContact CD2-CB 4.12Å; L191-D199 HydrophobicContact CG-CB 4.04Å; L191-H200 CarbonylContact C-O 3.5Å; L191-H200 VanDerWaalsContact CA-O 3.32Å; L191-H200 WeakPolarHBondContact CA-O 3.19Å; L191-V201 HydrophobicContact CB-CG2 4.48Å; L191-V201 HydrophobicContact CD1-CG2 3.66Å; L191-V201 HydrophobicContact CG-CG2 4.03Å
192	R	90.6	Very high	90.6	Very high	10 Å²	10	46.2 Å²	46.2	4%	0.038	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	124.4	168	-177.6	-177.4	-178.7	-159	-1.7	109.5	N27 Y92 Y94 I194 D199 H200	N27-R192 PolarHBondContact ND2-NH1 3.5Å; N27-R192 PolarHBondContact OD1-NH1 2.69Å; N27-R192 PolarHBondContact OD1-NH2 3.45Å; Y92-R192 HydrophobicContact CD1-CB 4.08Å; Y92-R192 HydrophobicContact CD1-CG 4.41Å; Y92-R192 HydrophobicContact CD2-CB 3.8Å; Y92-R192 HydrophobicContact CD2-CG 4.36Å; Y92-R192 HydrophobicContact CE1-CB 4.1Å; Y92-R192 HydrophobicContact CE2-CB 3.78Å; Y92-R192 HydrophobicContact CG-CB 3.93Å; Y92-R192 HydrophobicContact CG-CG 4.14Å; Y94-R192 PolarHBondContact OH-NH2 2.92Å; R192-I194 HydrophobicContact CG-CG1 4.31Å; R192-I194 PolarHBondContact O-N 3.44Å; R192-D199 WeakPolarHBondContact O-CA 3.46Å; R192-H200 HydrophobicContact CB-CB 4.47Å; R192-H200 PolarHBondContact N-O 2.84Å; R192-H200 PolarHBondContact O-N 3.19Å
193	V	87.1	Confident	90.9	Very high	25 Å²	25	45.1 Å²	45.1	15%	0.152	23%	0.234	C	C	.	.			trans	-72.1	127.9	174.1	178.9	0	0	0	0	110	H117 L191 F195 D199	H117-V193 HydrophobicContact CB-CB 4.47Å; H117-V193 HydrophobicContact CB-CG2 4.14Å; H117-V193 WeakPolarHBondContact O-CB 3.43Å; H117-V193 WeakPolarHBondContact O-CG2 3.48Å; H117-V193 PolarHBondContact O-N 2.97Å; L191-V193 HydrophobicContact CD2-CG2 3.75Å; V193-F195 HydrophobicContact CG1-CE1 4.37Å; V193-F195 HydrophobicContact CG1-CZ 4.49Å; V193-D199 VanDerWaalsContact CA-OD1 3.28Å; V193-D199 WeakPolarHBondContact CA-OD1 3.32Å
194	I	83.8	Confident	91.2	Very high	9 Å²	9	44.2 Å²	44.2	5%	0.046	22%	0.223	C	C	.	.			trans	-126	119.8	-179.1	-60.8	175.4	0	0	0	108.7	I29 R192 C196 E197 D199 H200	I29-I194 HydrophobicContact CB-CD1 4.08Å; I29-I194 HydrophobicContact CD1-CD1 3.6Å; I29-I194 HydrophobicContact CG1-CD1 4.23Å; I29-I194 HydrophobicContact CG2-CD1 4.07Å; R192-I194 HydrophobicContact CG-CG1 4.31Å; R192-I194 PolarHBondContact O-N 3.44Å; I194-C196 WeakPolarHBondContact CG2-SG 3.28Å; I194-E197 HydrophobicContact CG2-CB 4.04Å; I194-D199 PolarHBondContact N-OD1 3.4Å; I194-D199 VanDerWaalsContact N-OD1 3.15Å; I194-H200 HydrophobicContact CD1-CB 3.57Å
195	F	80.5	Confident	91.5	Very high	142 Å²	142	42.6 Å²	42.6	62%	0.623	21%	0.211	S	C	*	.	S	Bend	trans	-78.6	-20.8	-174.3	-64	-71.3	0	0	0	115	Y116 V193	Y116-F195 HydrophobicContact CD1-CD2 4.23Å; Y116-F195 AromaticContact CD1-CE2 3.89Å; Y116-F195 HydrophobicContact CD1-CE2 3.89Å; Y116-F195 HydrophobicContact CE1-CD2 4.2Å; Y116-F195 HydrophobicContact CE1-CE2 4.2Å; V193-F195 HydrophobicContact CG1-CE1 4.37Å; V193-F195 HydrophobicContact CG1-CZ 4.49Å
196	C	82.6	Confident	91.7	Very high	57 Å²	57	41.4 Å²	41.4	39%	0.385	21%	0.213	S	C	.	.	S	Bend	trans	-90.8	-17.1	-177.2	66.6	0	0	0	0	113.4	C30 I194	C30-C196 VanDerWaalsContact CA-SG 3.56Å; C30-C196 HydrophobicContact CB-CB 3.97Å; C30-C196 WeakPolarHBondContact CB-SG 3.48Å; C30-C196 WeakPolarHBondContact SG-CB 3.32Å; C30-C196 CovalentContact SG-SG 2.01Å; C30-C196 PolarHBondContact SG-SG 3.48Å; I194-C196 WeakPolarHBondContact CG2-SG 3.28Å
197	E	80.1	Confident	91.7	Very high	83 Å²	83	46.7 Å²	46.7	39%	0.388	24%	0.236	S	C	.	.	S	Bend	trans	-145.6	-174	-169.4	-88.9	-63.7	170.4	0	0	108.7	I194	I194-E197 HydrophobicContact CG2-CB 4.04Å
198	R	86.7	Confident	91.9	Very high	164 Å²	164	44.7 Å²	44.7	62%	0.619	23%	0.226	S	C	*	.	S	Bend	trans	-65.1	157.8	166	-65.7	-177.9	-68.3	169	-1.9	111.1	L36 H200	L36-R198 VanDerWaalsContact CD1-O 3.24Å; L36-R198 WeakPolarHBondContact CD1-O 3.5Å; L36-R198 HydrophobicContact CD2-CB 3.93Å; R198-H200 PolarHBondContact O-N 2.88Å
199	D	89.2	Confident	91.9	Very high	68 Å²	68	44.7 Å²	44.7	36%	0.364	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-60.5	137.7	171.9	-62.2	-25.8	0	0	0	110.3	L191 R192 V193 I194	L191-D199 HydrophobicContact CD1-CB 3.99Å; L191-D199 HydrophobicContact CD2-CB 4.12Å; L191-D199 HydrophobicContact CG-CB 4.04Å; R192-D199 WeakPolarHBondContact O-CA 3.46Å; V193-D199 VanDerWaalsContact CA-OD1 3.28Å; V193-D199 WeakPolarHBondContact CA-OD1 3.32Å; I194-D199 PolarHBondContact N-OD1 3.4Å; I194-D199 VanDerWaalsContact N-OD1 3.15Å
200	H	92	Very high	91.9	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.009	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	125.7	175.4	170.5	63.1	0	0	0	109	I29 L36 Y92 L191 R192 I194 R198 I202	I29-H200 HydrophobicContact CD1-CB 3.75Å; L36-H200 HydrophobicContact CD1-CB 3.93Å; L36-H200 PolarHBondContact O-ND1 3.15Å; Y92-H200 AromaticContact CE1-CD2 3.36Å; Y92-H200 WeakPolarHBondContact CE1-CD2 3.36Å; Y92-H200 AromaticContact CE1-NE2 3.7Å; Y92-H200 AromaticContact CZ-CD2 3.61Å; Y92-H200 AromaticContact CZ-NE2 4Å; Y92-H200 PolarHBondContact OH-CD2 3.29Å; Y92-H200 PolarHBondContact OH-NE2 3.41Å; L191-H200 CarbonylContact C-O 3.5Å; L191-H200 VanDerWaalsContact CA-O 3.32Å; L191-H200 WeakPolarHBondContact CA-O 3.19Å; R192-H200 HydrophobicContact CB-CB 4.47Å; R192-H200 PolarHBondContact N-O 2.84Å; R192-H200 PolarHBondContact O-N 3.19Å; I194-H200 HydrophobicContact CD1-CB 3.57Å; R198-H200 PolarHBondContact O-N 2.88Å; H200-I202 WeakPolarHBondContact NE2-CG1 3.35Å
201	V	94.8	Very high	92	Very high	48 Å²	48	50 Å²	50	29%	0.291	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	132.9	-171.8	-174.5	0	0	0	0	109.4	K189 L191 P203	K189-V201 HydrophobicContact CB-CG1 3.97Å; K189-V201 HydrophobicContact CD-CG1 3.62Å; K189-V201 HydrophobicContact CG-CG1 4.22Å; L191-V201 HydrophobicContact CB-CG2 4.48Å; L191-V201 HydrophobicContact CD1-CG2 3.66Å; L191-V201 HydrophobicContact CG-CG2 4.03Å; V201-P203 WeakPolarHBondContact O-CD 3.41Å
202	I	96.8	Very high	92.2	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	93.1	171.1	-52.2	172.5	0	0	0	108.2	H53 Y56 Y92 K189 I190 H200 Y217	H53-I202 HydrophobicContact CB-CD1 3.58Å; H53-I202 HydrophobicContact CB-CG1 4.03Å; H53-I202 HydrophobicContact CB-CG2 4.23Å; Y56-I202 HydrophobicContact CD2-CD1 4.23Å; Y56-I202 HydrophobicContact CG-CD1 4.23Å; Y92-I202 WeakPolarHBondContact OH-CD1 3.31Å; K189-I202 WeakPolarHBondContact CA-O 2.81Å; I190-I202 HydrophobicContact CD1-CD1 4.03Å; I190-I202 HydrophobicContact CG1-CB 3.89Å; I190-I202 HydrophobicContact CG1-CD1 4.22Å; I190-I202 HydrophobicContact CG1-CG1 4.38Å; I190-I202 PolarHBondContact N-O 2.84Å; I190-I202 PolarHBondContact O-N 3.08Å; H200-I202 WeakPolarHBondContact NE2-CG1 3.35Å; I202-Y217 HydrophobicContact CB-CE1 4.1Å; I202-Y217 HydrophobicContact CG2-CD1 4.31Å; I202-Y217 HydrophobicContact CG2-CE1 3.62Å; I202-Y217 PolarHBondContact O-OH 2.76Å
203	P	97.2	Very high	92.6	Very high	68 Å²	68	49.6 Å²	49.6	44%	0.442	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	143.6	-179.1	33.2	-33.6	0	0	0	112.2	K189 V201 P205	K189-P203 HydrophobicContact CB-CB 4.35Å; V201-P203 WeakPolarHBondContact O-CD 3.41Å; P203-P205 WeakPolarHBondContact O-CD 3.25Å
204	V	98.1	Very high	93.1	Very high	7 Å²	7	49.3 Å²	49.3	4%	0.042	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-72.4	123.5	160.1	-174.7	0	0	0	0	107.3	M58 I60 F172 S188 A206 W208 I209 V215 Y217	M58-V204 HydrophobicContact SD-CG2 4.45Å; I60-V204 HydrophobicContact CD1-CG1 4.2Å; F172-V204 HydrophobicContact CD2-CG2 3.93Å; F172-V204 HydrophobicContact CE2-CG2 4.28Å; S188-V204 PolarHBondContact O-N 2.88Å; V204-A206 PolarHBondContact O-N 2.97Å; V204-W208 HydrophobicContact CG1-CB 4.16Å; V204-I209 HydrophobicContact CB-CD1 4.27Å; V204-I209 HydrophobicContact CB-CG1 4.2Å; V204-I209 HydrophobicContact CG1-CD1 4.37Å; V204-I209 HydrophobicContact CG1-CG1 3.76Å; V204-V215 HydrophobicContact CG1-CG2 3.83Å; V204-V215 HydrophobicContact CG2-CB 4.37Å; V204-V215 HydrophobicContact CG2-CG1 3.89Å; V204-V215 HydrophobicContact CG2-CG2 4.01Å; V204-Y217 HydrophobicContact CG2-CE2 4.38Å; V204-Y217 WeakPolarHBondContact CG2-OH 3.43Å
205	P	97.2	Very high	93.9	Very high	35 Å²	35	48.9 Å²	48.9	23%	0.227	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-62.4	129.9	176.9	-15.3	25.7	0	0	0	110	P203 K207 W208	P203-P205 WeakPolarHBondContact O-CD 3.25Å; P205-K207 HydrophobicContact CB-CG 4.39Å; P205-K207 PolarHBondContact O-N 2.76Å; P205-W208 WeakPolarHBondContact O-CB 3.4Å; P205-W208 PolarHBondContact O-N 3Å
206	A	96.5	Very high	94.7	Very high	38 Å²	38	43.3 Å²	43.3	31%	0.314	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-51.8	-32	-172.2	0	0	0	0	0	114.2	G183 V204 W208 I209	G183-A206 VanDerWaalsContact O-CB 3.3Å; G183-A206 WeakPolarHBondContact O-CB 3.38Å; V204-A206 PolarHBondContact O-N 2.97Å; A206-W208 PolarHBondContact O-N 3.36Å; A206-I209 PolarHBondContact O-N 3.11Å
207	K	96	Very high	95.4	Very high	119 Å²	119	40.6 Å²	40.6	52%	0.517	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-58.8	-20.9	176.5	72.1	176.8	-174.1	175.1	0	114.5	E44 P205 K210	E44-K207 WeakPolarHBondContact OE1-CE 3.38Å; E44-K207 IonicContact OE1-NZ 3.14Å; E44-K207 PolarHBondContact OE1-NZ 3.3Å; P205-K207 HydrophobicContact CB-CG 4.39Å; P205-K207 PolarHBondContact O-N 2.76Å; K207-K210 WeakPolarHBondContact O-CE 3.37Å; K207-K210 PolarHBondContact O-NZ 2.94Å
208	W	97.7	Very high	96.1	Very high	10 Å²	10	37.7 Å²	37.7	4%	0.038	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-93.1	-19.4	178.2	-71.5	102.6	0	0	0	113.3	E44 N45 R49 I60 R62 V204 P205 A206 K210 T213	E44-W208 HydrophobicContact CG-CZ2 4.05Å; N45-W208 WeakPolarHBondContact O-CH2 3.34Å; N45-W208 WeakPolarHBondContact O-CZ2 3.47Å; R49-W208 HydrophobicContact CB-CH2 4.11Å; R49-W208 HydrophobicContact CB-CZ2 3.71Å; I60-W208 HydrophobicContact CB-CD2 4.38Å; I60-W208 HydrophobicContact CB-CE3 4.21Å; I60-W208 HydrophobicContact CD1-CB 4.04Å; I60-W208 HydrophobicContact CD1-CD2 4.21Å; I60-W208 HydrophobicContact CD1-CG 3.8Å; I60-W208 HydrophobicContact CG2-CB 4.03Å; I60-W208 HydrophobicContact CG2-CD2 3.76Å; I60-W208 HydrophobicContact CG2-CE3 3.36Å; I60-W208 HydrophobicContact CG2-CG 4.04Å; I60-W208 HydrophobicContact CG2-CZ3 4.04Å; R62-W208 HydrophobicContact CG-CE3 4.12Å; R62-W208 HydrophobicContact CG-CZ3 3.7Å; V204-W208 HydrophobicContact CG1-CB 4.16Å; P205-W208 WeakPolarHBondContact O-CB 3.4Å; P205-W208 PolarHBondContact O-N 3Å; A206-W208 PolarHBondContact O-N 3.36Å; W208-K210 VanDerWaalsContact C-N 3.31Å; W208-K210 PolarHBondContact O-N 2.81Å; W208-T213 VanDerWaalsContact O-CB 3.24Å; W208-T213 WeakPolarHBondContact O-CB 3.22Å; W208-T213 VanDerWaalsContact O-CG2 3.26Å; W208-T213 WeakPolarHBondContact O-CG2 3.01Å; W208-T213 PolarHBondContact O-OG1 3.04Å
209	I	97.7	Very high	96.5	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	19%	0.186	C	C	.	.			trans	-76.8	84.8	179.2	-54.8	174.6	0	0	0	108.5	M160 Y174 L186 V204 A206	M160-I209 HydrophobicContact CE-CG2 3.65Å; Y174-I209 HydrophobicContact CD1-CG2 3.76Å; Y174-I209 HydrophobicContact CD2-CG2 4.39Å; Y174-I209 HydrophobicContact CE1-CG1 4.46Å; Y174-I209 HydrophobicContact CE1-CG2 3.68Å; Y174-I209 HydrophobicContact CE2-CG1 4.39Å; Y174-I209 HydrophobicContact CE2-CG2 4.32Å; Y174-I209 HydrophobicContact CG-CG2 4.11Å; L186-I209 HydrophobicContact CB-CB 4.17Å; L186-I209 HydrophobicContact CB-CD1 3.87Å; L186-I209 HydrophobicContact CB-CG2 4Å; L186-I209 HydrophobicContact CD1-CB 3.99Å; L186-I209 HydrophobicContact CD1-CG2 3.94Å; L186-I209 WeakPolarHBondContact CD1-O 3.3Å; L186-I209 HydrophobicContact CD2-CG2 4.05Å; L186-I209 HydrophobicContact CG-CG2 4.24Å; V204-I209 HydrophobicContact CB-CD1 4.27Å; V204-I209 HydrophobicContact CB-CG1 4.2Å; V204-I209 HydrophobicContact CG1-CD1 4.37Å; V204-I209 HydrophobicContact CG1-CG1 3.76Å; A206-I209 PolarHBondContact O-N 3.11Å
210	K	96.9	Very high	96.7	Very high	106 Å²	106	30.6 Å²	30.6	46%	0.461	18%	0.176	S	C	.	.	S	Bend	trans	-144.4	157.9	-177.6	-65.1	179.5	-178	163.6	0	108.6	K207 W208 G212 T213	K207-K210 WeakPolarHBondContact O-CE 3.37Å; K207-K210 PolarHBondContact O-NZ 2.94Å; W208-K210 VanDerWaalsContact C-N 3.31Å; W208-K210 PolarHBondContact O-N 2.81Å; K210-G212 PolarHBondContact O-N 3.44Å; K210-T213 WeakPolarHBondContact O-CB 3.41Å; K210-T213 PolarHBondContact O-N 3.39Å; K210-T213 VanDerWaalsContact O-N 3.11Å; K210-T213 PolarHBondContact O-OG1 3.42Å; K210-T213 VanDerWaalsContact O-OG1 3.12Å
211	S	97.5	Very high	96.6	Very high	45 Å²	45	31.3 Å²	31.3	32%	0.315	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	136.3	177.3	-52.3	0	0	0	0	112.1	R62 Y174 N176 I177 T213	R62-S211 PolarHBondContact NH1-O 2.99Å; Y174-S211 CarbonylContact O-C 3.43Å; Y174-S211 WeakPolarHBondContact O-CA 3.32Å; N176-S211 WeakPolarHBondContact CA-OG 3.13Å; N176-S211 PolarHBondContact N-OG 2.96Å; I177-S211 PolarHBondContact N-OG 3.3Å; I177-S211 PolarHBondContact O-OG 2.9Å; S211-T213 VanDerWaalsContact C-N 3.31Å
212	G	97.7	Very high	96.3	Very high	14 Å²	14	35 Å²	35	14%	0.144	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	75	13.2	-179.4	0	0	0	0	0	114.5	R62 D63 Q64 Y174 K210	R62-G212 CarbonylContact C-O 3.53Å; D63-G212 PolarHBondContact N-O 2.99Å; Q64-G212 PolarHBondContact N-O 2.85Å; Y174-G212 PolarHBondContact O-N 3.37Å; K210-G212 PolarHBondContact O-N 3.44Å
213	T	98.5	Very high	96.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	131.4	172.1	-57.1	0	0	0	0	110.5	I60 Q61 R62 H173 Y174 W208 K210 S211 V215	I60-T213 HydrophobicContact CG2-CG2 3.39Å; Q61-T213 CarbonylContact O-C 3.59Å; Q61-T213 WeakPolarHBondContact O-CA 3.31Å; R62-T213 WeakPolarHBondContact CD-OG1 3.43Å; R62-T213 PolarHBondContact NH1-OG1 2.64Å; H173-T213 WeakPolarHBondContact CA-O 3.47Å; Y174-T213 HydrophobicContact CD2-CG2 4.35Å; Y174-T213 WeakPolarHBondContact CD2-O 3.43Å; Y174-T213 HydrophobicContact CE2-CG2 4.32Å; Y174-T213 PolarHBondContact N-O 3.5Å; W208-T213 VanDerWaalsContact O-CB 3.24Å; W208-T213 WeakPolarHBondContact O-CB 3.22Å; W208-T213 VanDerWaalsContact O-CG2 3.26Å; W208-T213 WeakPolarHBondContact O-CG2 3.01Å; W208-T213 PolarHBondContact O-OG1 3.04Å; K210-T213 WeakPolarHBondContact O-CB 3.41Å; K210-T213 PolarHBondContact O-N 3.39Å; K210-T213 VanDerWaalsContact O-N 3.11Å; K210-T213 PolarHBondContact O-OG1 3.42Å; K210-T213 VanDerWaalsContact O-OG1 3.12Å; S211-T213 VanDerWaalsContact C-N 3.31Å; T213-V215 HydrophobicContact CG2-CG2 4.26Å
214	L	98.5	Very high	96	Very high	20 Å²	20	35.9 Å²	35.9	11%	0.105	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	131.2	165.9	-178.3	67.3	0	0	0	109.3	I60 Q61 Q64 P67 F172 H173 E216	I60-L214 CarbonylContact C-O 3.53Å; I60-L214 WeakPolarHBondContact CA-O 3.31Å; Q61-L214 PolarHBondContact N-O 3.39Å; Q61-L214 PolarHBondContact O-N 2.86Å; Q64-L214 HydrophobicContact CB-CB 3.76Å; Q64-L214 HydrophobicContact CG-CB 3.74Å; Q64-L214 HydrophobicContact CG-CD2 4.47Å; P67-L214 HydrophobicContact CG-CD1 4.36Å; F172-L214 CarbonylContact O-C 3.54Å; F172-L214 WeakPolarHBondContact O-CA 3.37Å; H173-L214 HydrophobicContact CB-CD1 4.18Å; L214-E216 HydrophobicContact CD2-CG 4.18Å; L214-E216 HydrophobicContact CG-CG 4.1Å
215	V	98.6	Very high	95.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	135.2	170.4	-178.6	0	0	0	0	107.8	M58 R59 I60 S171 F172 Y174 V204 T213 Y217	M58-V215 HydrophobicContact CG-CG1 3.87Å; M58-V215 HydrophobicContact SD-CG1 4.04Å; R59-V215 CarbonylContact O-C 3.58Å; R59-V215 VanDerWaalsContact O-CA 3.3Å; R59-V215 WeakPolarHBondContact O-CA 3.43Å; I60-V215 HydrophobicContact CD1-CG2 4.48Å; I60-V215 HydrophobicContact CG1-CG1 4.27Å; I60-V215 HydrophobicContact CG1-CG2 4.13Å; I60-V215 HydrophobicContact CG2-CG2 4.1Å; S171-V215 CarbonylContact C-O 3.52Å; S171-V215 WeakPolarHBondContact CA-O 3.36Å; S171-V215 WeakPolarHBondContact CB-O 3.42Å; F172-V215 HydrophobicContact CB-CB 4.2Å; F172-V215 PolarHBondContact N-O 2.76Å; F172-V215 PolarHBondContact O-N 3.03Å; Y174-V215 HydrophobicContact CE2-CG2 3.92Å; V204-V215 HydrophobicContact CG1-CG2 3.83Å; V204-V215 HydrophobicContact CG2-CB 4.37Å; V204-V215 HydrophobicContact CG2-CG1 3.89Å; V204-V215 HydrophobicContact CG2-CG2 4.01Å; T213-V215 HydrophobicContact CG2-CG2 4.26Å; V215-Y217 HydrophobicContact CG1-CD2 4.23Å; V215-Y217 HydrophobicContact CG1-CE2 3.73Å
216	E	97.9	Very high	95.4	Very high	25 Å²	25	43.1 Å²	43.1	12%	0.117	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	123.4	175.8	-56.7	-172.6	108.7	0	0	109.9	M58 R59 K169 L214	M58-E216 CarbonylContact C-O 3.59Å; M58-E216 WeakPolarHBondContact CA-O 3.37Å; R59-E216 HydrophobicContact CB-CB 4.44Å; R59-E216 PolarHBondContact N-O 2.84Å; R59-E216 IonicContact NH1-OE2 2.64Å; R59-E216 PolarHBondContact NH1-OE2 3.41Å; R59-E216 PolarHBondContact O-N 2.99Å; K169-E216 HydrophobicContact CD-CB 4.45Å; K169-E216 IonicContact NZ-OE1 3.83Å; K169-E216 PolarHBondContact NZ-OE1 2.85Å; L214-E216 HydrophobicContact CD2-CG 4.18Å; L214-E216 HydrophobicContact CG-CG 4.1Å
217	Y	97.9	Very high	95.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	122.8	169	-62.2	-85.5	0	0	0	109.4	S57 M58 K169 V170 F172 I190 I202 V204 V215	S57-Y217 VanDerWaalsContact O-CA 3.32Å; S57-Y217 WeakPolarHBondContact O-CA 3.46Å; M58-Y217 HydrophobicContact CB-CD1 4.02Å; M58-Y217 HydrophobicContact CB-CE1 4.04Å; M58-Y217 HydrophobicContact CG-CD1 4.19Å; M58-Y217 HydrophobicContact CG-CE1 3.89Å; M58-Y217 HydrophobicContact SD-CE1 3.68Å; K169-Y217 WeakPolarHBondContact CA-O 3.38Å; K169-Y217 WeakPolarHBondContact CG-O 3.43Å; V170-Y217 HydrophobicContact CB-CD2 4.43Å; V170-Y217 PolarHBondContact N-O 2.91Å; V170-Y217 PolarHBondContact O-N 2.82Å; F172-Y217 AromaticContact CD2-CE2 3.81Å; F172-Y217 HydrophobicContact CD2-CE2 3.81Å; F172-Y217 HydrophobicContact CE2-CD2 4.41Å; F172-Y217 AromaticContact CE2-CE2 3.48Å; F172-Y217 HydrophobicContact CE2-CE2 3.48Å; F172-Y217 VanDerWaalsContact CE2-CE2 3.48Å; F172-Y217 HydrophobicContact CZ-CE2 4.06Å; I190-Y217 HydrophobicContact CD1-CD1 3.55Å; I190-Y217 HydrophobicContact CD1-CD2 4.48Å; I190-Y217 HydrophobicContact CD1-CE1 4.08Å; I190-Y217 HydrophobicContact CD1-CG 3.75Å; I190-Y217 HydrophobicContact CG1-CD1 3.9Å; I190-Y217 HydrophobicContact CG1-CE1 3.89Å; I190-Y217 HydrophobicContact CG1-CG 4.24Å; I190-Y217 HydrophobicContact CG2-CD2 3.99Å; I190-Y217 HydrophobicContact CG2-CE2 4.07Å; I190-Y217 HydrophobicContact CG2-CG 4.31Å; I202-Y217 HydrophobicContact CB-CE1 4.1Å; I202-Y217 HydrophobicContact CG2-CD1 4.31Å; I202-Y217 HydrophobicContact CG2-CE1 3.62Å; I202-Y217 PolarHBondContact O-OH 2.76Å; V204-Y217 HydrophobicContact CG2-CE2 4.38Å; V204-Y217 WeakPolarHBondContact CG2-OH 3.43Å; V215-Y217 HydrophobicContact CG1-CD2 4.23Å; V215-Y217 HydrophobicContact CG1-CE2 3.73Å
218	E	95.7	Very high	95.2	Very high	22 Å²	22	44.9 Å²	44.9	10%	0.103	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	134.2	178.3	-163.9	-176.2	165.1	0	0	110.2	Y56 S57 I220 K264	Y56-E218 CarbonylContact C-O 3.6Å; Y56-E218 VanDerWaalsContact CA-O 3.26Å; Y56-E218 WeakPolarHBondContact CA-O 3.09Å; Y56-E218 WeakPolarHBondContact CD1-O 3.23Å; S57-E218 PolarHBondContact N-O 2.89Å; S57-E218 PolarHBondContact O-N 2.87Å; E218-I220 PolarHBondContact O-N 3.03Å; E218-K264 VanDerWaalsContact CD-NZ 3.27Å; E218-K264 WeakPolarHBondContact OE1-CE 3.39Å; E218-K264 IonicContact OE1-NZ 3.85Å; E218-K264 PolarHBondContact OE1-NZ 2.87Å; E218-K264 WeakPolarHBondContact OE2-CE 3.38Å; E218-K264 IonicContact OE2-NZ 3.86Å; E218-K264 PolarHBondContact OE2-NZ 2.88Å
219	A	93.9	Very high	95.1	Very high	49 Å²	49	46.8 Å²	46.8	41%	0.405	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	132	177.4	0	0	0	0	0	110.4	K55 Y56	K55-A219 CarbonylContact O-C 3.56Å; K55-A219 WeakPolarHBondContact O-CA 3.46Å; Y56-A219 HydrophobicContact CE1-CB 4.23Å
220	I	92.7	Very high	95	Very high	33 Å²	33	50.8 Å²	50.8	17%	0.169	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-85.1	120.1	171.9	-62.3	172.2	0	0	0	107.6	L52 K55 Y56 E218 I253	L52-I220 HydrophobicContact CD2-CD1 3.97Å; K55-I220 PolarHBondContact O-N 3.26Å; Y56-I220 VanDerWaalsContact C-CD1 3.44Å; Y56-I220 WeakPolarHBondContact O-CD1 3.37Å; E218-I220 PolarHBondContact O-N 3.03Å; I220-I253 HydrophobicContact CG2-CG2 4.19Å
221	G	90.8	Very high	94.9	Very high	18 Å²	18	51.3 Å²	51.3	19%	0.186	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-68.2	151.5	177	0	0	0	0	0	113	E254	G221-E254 VanDerWaalsContact CA-CD 3.41Å; G221-E254 WeakPolarHBondContact CA-OE1 3.13Å
222	E	89.5	Confident	94.9	Very high	125 Å²	125	51 Å²	51	58%	0.584	27%	0.272	S	S	*	.	H	α-helix	trans	-84.4	-21.6	-169.3	-61.4	-176	166.1	0	0	112.8	K55 S225 E254	K55-E222 IonicContact NZ-OE1 3.25Å; K55-E222 PolarHBondContact NZ-OE1 2.95Å; E222-S225 WeakPolarHBondContact CA-OG 3.36Å; E222-S225 PolarHBondContact O-OG 2.85Å; E222-E254 PolarHBondContact N-OE1 2.75Å; E222-E254 VanDerWaalsContact N-OE1 3.16Å
223	I	92	Very high	94.8	Very high	86 Å²	86	50.3 Å²	50.3	44%	0.441	27%	0.265	S	S	.	.	H	α-helix	trans	-68.8	-49	-173.2	-57.8	172.9	0	0	0	110.8	Q226 Y227 T241 E254	I223-Q226 VanDerWaalsContact O-CG 3.24Å; I223-Q226 WeakPolarHBondContact O-CG 3.21Å; I223-Q226 PolarHBondContact O-NE2 3.13Å; I223-Y227 WeakPolarHBondContact O-CE2 3.49Å; I223-T241 HydrophobicContact CB-CG2 4.2Å; I223-T241 HydrophobicContact CD1-CG2 4.33Å; I223-T241 HydrophobicContact CG2-CG2 4.07Å; I223-E254 WeakPolarHBondContact CA-OE1 3.47Å; I223-E254 VanDerWaalsContact CB-OE1 3.27Å; I223-E254 WeakPolarHBondContact CB-OE1 3.48Å; I223-E254 PolarHBondContact N-OE1 2.84Å
224	C	94.8	Very high	94.6	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-76.7	-31	179.7	-63	0	0	0	0	111.8	Q226 Y227 C243 C252 E254	C224-Q226 PolarHBondContact O-N 3.23Å; C224-Y227 VanDerWaalsContact O-CD2 3.31Å; C224-Y227 WeakPolarHBondContact O-CD2 3.46Å; C224-Y227 PolarHBondContact O-N 3.03Å; C224-Y227 VanDerWaalsContact O-N 3.08Å; C224-C243 HydrophobicContact CB-CB 3.84Å; C224-C243 WeakPolarHBondContact CB-SG 3.14Å; C224-C243 WeakPolarHBondContact SG-CA 3.47Å; C224-C243 WeakPolarHBondContact SG-CB 3.48Å; C224-C243 CovalentContact SG-SG 2.03Å; C224-C243 PolarHBondContact SG-SG 2.83Å; C224-C252 VanDerWaalsContact O-CB 3.23Å; C224-C252 WeakPolarHBondContact O-CB 3.04Å; C224-C252 PolarHBondContact O-SG 3.07Å; C224-C252 VanDerWaalsContact O-SG 3.32Å; C224-E254 HydrophobicContact CB-CG 3.69Å; C224-E254 PolarHBondContact N-OE1 3.31Å; C224-E254 WeakPolarHBondContact SG-CG 3.41Å
225	S	92	Very high	94.5	Very high	66 Å²	66	62.4 Å²	62.4	46%	0.462	32%	0.315	S	S	.	.	H	α-helix	trans	-62.2	-16.2	-176.1	72.3	0	0	0	0	115.2	E222 Y227 C252	E222-S225 WeakPolarHBondContact CA-OG 3.36Å; E222-S225 PolarHBondContact O-OG 2.85Å; S225-Y227 VanDerWaalsContact C-N 3.3Å; S225-Y227 PolarHBondContact O-N 3.46Å; S225-C252 WeakPolarHBondContact CA-O 3.21Å; S225-C252 PolarHBondContact N-O 2.95Å
226	Q	91.7	Very high	94.3	Very high	128 Å²	128	63.1 Å²	63.1	60%	0.598	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-17.8	177	75.8	-167.9	-30.5	0	0	113.5	I223 C224	I223-Q226 VanDerWaalsContact O-CG 3.24Å; I223-Q226 WeakPolarHBondContact O-CG 3.21Å; I223-Q226 PolarHBondContact O-NE2 3.13Å; C224-Q226 PolarHBondContact O-N 3.23Å
227	Y	94.7	Very high	94.1	Very high	72 Å²	72	64.8 Å²	64.8	28%	0.282	33%	0.333	S	S	.	.			trans	-90.2	124	-178.4	-56.7	-72.1	0	0	0	110.8	I223 C224 S225 A236 C252	I223-Y227 WeakPolarHBondContact O-CE2 3.49Å; C224-Y227 VanDerWaalsContact O-CD2 3.31Å; C224-Y227 WeakPolarHBondContact O-CD2 3.46Å; C224-Y227 PolarHBondContact O-N 3.03Å; C224-Y227 VanDerWaalsContact O-N 3.08Å; S225-Y227 VanDerWaalsContact C-N 3.3Å; S225-Y227 PolarHBondContact O-N 3.46Å; Y227-A236 HydrophobicContact CD1-CB 4.49Å; Y227-A236 HydrophobicContact CD2-CB 3.56Å; Y227-A236 HydrophobicContact CE1-CB 4.06Å; Y227-A236 HydrophobicContact CE2-CB 3.06Å; Y227-A236 HydrophobicContact CG-CB 4.27Å; Y227-C252 WeakPolarHBondContact O-CB 3.29Å
228	N	93.6	Very high	93.8	Very high	123 Å²	123	68.5 Å²	68.5	66%	0.658	36%	0.356	S	S	*	.			trans	-105.8	4.5	-172.2	65.2	-5.1	0	0	0	114	W245	N228-W245 WeakPolarHBondContact O-CH2 3.11Å
229	T	94.8	Very high	93.5	Very high	49 Å²	49	72 Å²	72	30%	0.301	38%	0.382	S	S	.	.	S	Bend	trans	-129.4	153.2	171.9	86.4	0	0	0	0	110.7	E231 T232 C233	T229-E231 VanDerWaalsContact C-N 3.3Å; T229-E231 WeakPolarHBondContact CB-OE2 3.46Å; T229-E231 PolarHBondContact O-N 3.4Å; T229-E231 PolarHBondContact OG1-OE2 3.41Å; T229-E231 VanDerWaalsContact OG1-OE2 3.1Å; T229-T232 PolarHBondContact N-OG1 3.01Å; T229-T232 PolarHBondContact O-N 2.85Å; T229-T232 PolarHBondContact O-OG1 3.35Å; T229-T232 WeakPolarHBondContact OG1-CG2 3.32Å; T229-T232 PolarHBondContact OG1-N 2.82Å; T229-T232 PolarHBondContact OG1-OG1 2.95Å; T229-C233 WeakPolarHBondContact O-CB 3.38Å; T229-C233 PolarHBondContact O-N 2.63Å
230	K	95.2	Very high	93.3	Very high	86 Å²	86	78.2 Å²	78.2	37%	0.374	40%	0.4	S	S	.	.	H	α-helix	trans	-54.2	-46.2	175.6	-177.3	177.5	-174	165.2	0	112.2	T232 C233 L234 W245 E247	K230-T232 PolarHBondContact O-N 3.12Å; K230-C233 WeakPolarHBondContact O-CB 3.29Å; K230-C233 PolarHBondContact O-N 2.58Å; K230-L234 HydrophobicContact CG-CD1 3.88Å; K230-L234 HydrophobicContact CG-CG 4.42Å; K230-L234 WeakPolarHBondContact O-CB 3.14Å; K230-L234 VanDerWaalsContact O-CG 3.28Å; K230-L234 WeakPolarHBondContact O-CG 3.33Å; K230-L234 PolarHBondContact O-N 3.28Å; K230-W245 HydrophobicContact CB-CB 4.5Å; K230-W245 HydrophobicContact CB-CD2 3.94Å; K230-W245 HydrophobicContact CB-CG 3.81Å; K230-W245 HydrophobicContact CG-CB 4.11Å; K230-W245 HydrophobicContact CG-CD2 4.47Å; K230-W245 HydrophobicContact CG-CG 3.83Å; K230-E247 VanDerWaalsContact CD-OE1 3.29Å; K230-E247 WeakPolarHBondContact CD-OE1 3.28Å; K230-E247 VanDerWaalsContact CE-OE1 3.25Å; K230-E247 WeakPolarHBondContact CE-OE1 3.1Å; K230-E247 IonicContact NZ-OE1 2.64Å; K230-E247 PolarHBondContact NZ-OE1 2.68Å
231	E	95.5	Very high	93.4	Very high	116 Å²	116	77.4 Å²	77.4	54%	0.542	40%	0.397	S	S	.	.	H	α-helix	trans	-68.2	-37.6	-175.7	-56.7	70.1	-151.4	0	0	111.7	T229 R235	T229-E231 VanDerWaalsContact C-N 3.3Å; T229-E231 WeakPolarHBondContact CB-OE2 3.46Å; T229-E231 PolarHBondContact O-N 3.4Å; T229-E231 PolarHBondContact OG1-OE2 3.41Å; T229-E231 VanDerWaalsContact OG1-OE2 3.1Å; E231-R235 WeakPolarHBondContact O-CB 3.37Å; E231-R235 VanDerWaalsContact O-CG 3.27Å; E231-R235 WeakPolarHBondContact O-CG 3.1Å; E231-R235 PolarHBondContact O-N 3.49Å; E231-R235 PolarHBondContact O-NE 3.27Å
232	T	96.8	Very high	93.6	Very high	38 Å²	38	79 Å²	79	23%	0.233	40%	0.401	C	S	.	.	H	α-helix	trans	-73.7	-40.4	177.4	52.5	0	0	0	0	111.1	T229 K230 R235 A236	T229-T232 PolarHBondContact N-OG1 3.01Å; T229-T232 PolarHBondContact O-N 2.85Å; T229-T232 PolarHBondContact O-OG1 3.35Å; T229-T232 WeakPolarHBondContact OG1-CG2 3.32Å; T229-T232 PolarHBondContact OG1-N 2.82Å; T229-T232 PolarHBondContact OG1-OG1 2.95Å; K230-T232 PolarHBondContact O-N 3.12Å; T232-R235 PolarHBondContact O-N 3.26Å; T232-A236 PolarHBondContact O-N 3.35Å
233	C	96.6	Very high	93.8	Very high	0 Å²	0	73.3 Å²	73.3	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-57.3	-53.6	174.5	178.6	0	0	0	0	112.3	T229 K230 R235 A236 C243 I244 W245 C252	T229-C233 WeakPolarHBondContact O-CB 3.38Å; T229-C233 PolarHBondContact O-N 2.63Å; K230-C233 WeakPolarHBondContact O-CB 3.29Å; K230-C233 PolarHBondContact O-N 2.58Å; C233-R235 VanDerWaalsContact C-N 3.34Å; C233-R235 PolarHBondContact O-N 2.9Å; C233-A236 WeakPolarHBondContact O-CB 3.09Å; C233-A236 PolarHBondContact O-N 3.42Å; C233-A236 VanDerWaalsContact O-N 3.16Å; C233-C243 VanDerWaalsContact O-CB 3.22Å; C233-C243 WeakPolarHBondContact O-CB 3.35Å; C233-I244 VanDerWaalsContact SG-C 3.56Å; C233-W245 HydrophobicContact CB-CB 4.45Å; C233-W245 HydrophobicContact CB-CE3 3.77Å; C233-W245 HydrophobicContact CB-CZ3 4.48Å; C233-C252 WeakPolarHBondContact CA-SG 3.42Å; C233-C252 HydrophobicContact CB-CB 3.6Å; C233-C252 WeakPolarHBondContact CB-SG 3.32Å; C233-C252 WeakPolarHBondContact SG-CB 3.41Å; C233-C252 CovalentContact SG-SG 2.02Å; C233-C252 PolarHBondContact SG-SG 3.15Å
234	L	94.6	Very high	94	Very high	88 Å²	88	69.9 Å²	69.9	46%	0.461	36%	0.357	S	S	.	.	H	α-helix	trans	-67	-35.2	-177	-65.2	175.9	0	0	0	112.4	K230 A236 T237	K230-L234 HydrophobicContact CG-CD1 3.88Å; K230-L234 HydrophobicContact CG-CG 4.42Å; K230-L234 WeakPolarHBondContact O-CB 3.14Å; K230-L234 VanDerWaalsContact O-CG 3.28Å; K230-L234 WeakPolarHBondContact O-CG 3.33Å; K230-L234 PolarHBondContact O-N 3.28Å; L234-A236 PolarHBondContact O-N 2.76Å; L234-T237 WeakPolarHBondContact O-CB 3.25Å; L234-T237 PolarHBondContact O-N 2.97Å; L234-T237 PolarHBondContact O-OG1 3.24Å
235	R	95.6	Very high	94	Very high	186 Å²	186	70.8 Å²	70.8	70%	0.702	36%	0.361	S	S	*	.	H	α-helix	trans	-68.6	-20.6	175.4	-79.8	-176.9	-70.5	159.8	-6.1	113.9	E231 T232 C233 T237	E231-R235 WeakPolarHBondContact O-CB 3.37Å; E231-R235 VanDerWaalsContact O-CG 3.27Å; E231-R235 WeakPolarHBondContact O-CG 3.1Å; E231-R235 PolarHBondContact O-N 3.49Å; E231-R235 PolarHBondContact O-NE 3.27Å; T232-R235 PolarHBondContact O-N 3.26Å; C233-R235 VanDerWaalsContact C-N 3.34Å; C233-R235 PolarHBondContact O-N 2.9Å; R235-T237 VanDerWaalsContact C-N 3.25Å; R235-T237 PolarHBondContact O-N 3.48Å
236	A	94	Very high	94.2	Very high	15 Å²	15	67.7 Å²	67.7	12%	0.124	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-9.2	178.8	0	0	0	0	0	113.6	Y227 T232 C233 L234 T238	Y227-A236 HydrophobicContact CD1-CB 4.49Å; Y227-A236 HydrophobicContact CD2-CB 3.56Å; Y227-A236 HydrophobicContact CE1-CB 4.06Å; Y227-A236 HydrophobicContact CE2-CB 3.06Å; Y227-A236 HydrophobicContact CG-CB 4.27Å; T232-A236 PolarHBondContact O-N 3.35Å; C233-A236 WeakPolarHBondContact O-CB 3.09Å; C233-A236 PolarHBondContact O-N 3.42Å; C233-A236 VanDerWaalsContact O-N 3.16Å; L234-A236 PolarHBondContact O-N 2.76Å; A236-T238 PolarHBondContact O-N 3.22Å
237	T	93.8	Very high	94.2	Very high	61 Å²	61	66.1 Å²	66.1	37%	0.374	33%	0.331	S	S	.	.			trans	-60.8	128.5	175	-66.4	0	0	0	0	110.6	L234 R235 T241 I242 C243	L234-T237 WeakPolarHBondContact O-CB 3.25Å; L234-T237 PolarHBondContact O-N 2.97Å; L234-T237 PolarHBondContact O-OG1 3.24Å; R235-T237 VanDerWaalsContact C-N 3.25Å; R235-T237 PolarHBondContact O-N 3.48Å; T237-T241 CarbonylContact C-O 3.21Å; T237-T241 WeakPolarHBondContact CA-O 3.29Å; T237-I242 HydrophobicContact CG2-CG1 4.5Å; T237-I242 HydrophobicContact CG2-CG2 4.38Å; T237-C243 PolarHBondContact OG1-N 2.83Å; T237-C243 VanDerWaalsContact OG1-N 3.11Å; T237-C243 PolarHBondContact OG1-O 3.33Å
238	T	92.5	Very high	94.1	Very high	77 Å²	77	68.1 Å²	68.1	47%	0.472	34%	0.342	S	S	.	.			trans	-128.5	178.7	176.3	65.3	0	0	0	0	109.9	A236 K240 T241	A236-T238 PolarHBondContact O-N 3.22Å; T238-K240 PolarHBondContact O-N 2.91Å; T238-K240 PolarHBondContact OG1-N 3.21Å; T238-T241 PolarHBondContact N-O 2.94Å; T238-T241 PolarHBondContact OG1-N 3.45Å; T238-T241 VanDerWaalsContact OG1-N 3.14Å; T238-T241 PolarHBondContact OG1-O 2.96Å
239	S	88.4	Confident	93.9	Very high	95 Å²	95	62.4 Å²	62.4	66%	0.664	31%	0.312	S	S	*	.	S	Bend	trans	-63.7	-20.4	174.3	56.3	0	0	0	0	114.3
240	K	90.3	Very high	93.8	Very high	180 Å²	180	65.6 Å²	65.6	78%	0.783	33%	0.328	S	S	*	.	S	Bend	trans	-105.6	-24.2	-178	-65.8	-176.1	179.8	-179.9	0	113.7	T238	T238-K240 PolarHBondContact O-N 2.91Å; T238-K240 PolarHBondContact OG1-N 3.21Å
241	T	93.5	Very high	93.7	Very high	17 Å²	17	62.6 Å²	62.6	10%	0.104	32%	0.318	C	S	.	.			trans	-135.7	116.4	-174.8	-56.2	0	0	0	0	109.2	I223 T237 T238 E254 N256	I223-T241 HydrophobicContact CB-CG2 4.2Å; I223-T241 HydrophobicContact CD1-CG2 4.33Å; I223-T241 HydrophobicContact CG2-CG2 4.07Å; T237-T241 CarbonylContact C-O 3.21Å; T237-T241 WeakPolarHBondContact CA-O 3.29Å; T238-T241 PolarHBondContact N-O 2.94Å; T238-T241 PolarHBondContact OG1-N 3.45Å; T238-T241 VanDerWaalsContact OG1-N 3.14Å; T238-T241 PolarHBondContact OG1-O 2.96Å; T241-E254 HydrophobicContact CG2-CG 4.06Å; T241-N256 VanDerWaalsContact CA-OD1 3.28Å; T241-N256 WeakPolarHBondContact CA-OD1 3.3Å
242	I	94.8	Very high	93.7	Very high	51 Å²	51	57.2 Å²	57.2	26%	0.262	29%	0.294	S	S	.	.			trans	-102.9	123.4	179.7	-59.5	171.3	0	0	0	108.4	T237 E254 S255 N256	T237-I242 HydrophobicContact CG2-CG1 4.5Å; T237-I242 HydrophobicContact CG2-CG2 4.38Å; I242-E254 CarbonylContact O-C 3.6Å; I242-E254 WeakPolarHBondContact O-CA 3.4Å; I242-S255 PolarHBondContact O-N 3.02Å; I242-N256 PolarHBondContact N-OD1 3.25Å
243	C	95.7	Very high	93.6	Very high	5 Å²	5	55.7 Å²	55.7	3%	0.034	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	134.9	179.8	-61.6	0	0	0	0	111.3	C224 C233 T237 I253	C224-C243 HydrophobicContact CB-CB 3.84Å; C224-C243 WeakPolarHBondContact CB-SG 3.14Å; C224-C243 WeakPolarHBondContact SG-CA 3.47Å; C224-C243 WeakPolarHBondContact SG-CB 3.48Å; C224-C243 CovalentContact SG-SG 2.03Å; C224-C243 PolarHBondContact SG-SG 2.83Å; C233-C243 VanDerWaalsContact O-CB 3.22Å; C233-C243 WeakPolarHBondContact O-CB 3.35Å; T237-C243 PolarHBondContact OG1-N 2.83Å; T237-C243 VanDerWaalsContact OG1-N 3.11Å; T237-C243 PolarHBondContact OG1-O 3.33Å; C243-I253 WeakPolarHBondContact CA-O 3.3Å
244	I	95	Very high	93.5	Very high	14 Å²	14	56.9 Å²	56.9	7%	0.072	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	135.5	173.7	-61.6	174.8	0	0	0	108.9	C233 C252 I253 S255 K264 V265 C268	C233-I244 VanDerWaalsContact SG-C 3.56Å; I244-C252 WeakPolarHBondContact O-CA 3.49Å; I244-I253 HydrophobicContact CB-CG1 4.26Å; I244-I253 PolarHBondContact N-O 2.81Å; I244-I253 PolarHBondContact O-N 2.9Å; I244-S255 WeakPolarHBondContact CD1-OG 3.25Å; I244-K264 HydrophobicContact CD1-CB 3.98Å; I244-V265 HydrophobicContact CD1-CB 4.33Å; I244-V265 HydrophobicContact CD1-CG2 3.4Å; I244-V265 VanDerWaalsContact CD1-CG2 3.4Å; I244-V265 HydrophobicContact CG1-CG2 4.18Å; I244-C268 HydrophobicContact CG2-CB 3.98Å
245	W	95.2	Very high	93.4	Very high	20 Å²	20	52.7 Å²	52.7	8%	0.076	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	130.7	171.7	-177.5	-104.7	0	0	0	111.2	N228 K230 C233 E247 N250 C252	N228-W245 WeakPolarHBondContact O-CH2 3.11Å; K230-W245 HydrophobicContact CB-CB 4.5Å; K230-W245 HydrophobicContact CB-CD2 3.94Å; K230-W245 HydrophobicContact CB-CG 3.81Å; K230-W245 HydrophobicContact CG-CB 4.11Å; K230-W245 HydrophobicContact CG-CD2 4.47Å; K230-W245 HydrophobicContact CG-CG 3.83Å; C233-W245 HydrophobicContact CB-CB 4.45Å; C233-W245 HydrophobicContact CB-CE3 3.77Å; C233-W245 HydrophobicContact CB-CZ3 4.48Å; W245-E247 VanDerWaalsContact CD1-OE2 3.32Å; W245-E247 PolarHBondContact NE1-OE2 2.79Å; W245-N250 WeakPolarHBondContact CH2-OD1 3.26Å; W245-N250 WeakPolarHBondContact CZ2-OD1 3.37Å; W245-C252 HydrophobicContact CE3-CB 3.95Å; W245-C252 HydrophobicContact CZ3-CB 4.19Å
246	C	94.9	Very high	93.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	102.8	176.4	-50.6	0	0	0	0	109.7	I42 K248 G249 N250 A251 I253 C268	I42-C246 HydrophobicContact CD1-CB 3.85Å; C246-K248 PolarHBondContact O-N 2.82Å; C246-G249 CarbonylContact O-C 3.56Å; C246-G249 WeakPolarHBondContact O-CA 3.4Å; C246-G249 PolarHBondContact O-N 2.81Å; C246-N250 PolarHBondContact O-N 3.17Å; C246-A251 PolarHBondContact N-O 2.85Å; C246-A251 PolarHBondContact O-N 3.42Å; C246-I253 VanDerWaalsContact SG-CD1 3.6Å; C246-C268 HydrophobicContact CB-CB 3.6Å; C246-C268 WeakPolarHBondContact CB-SG 3.29Å; C246-C268 WeakPolarHBondContact SG-CB 3.26Å; C246-C268 CovalentContact SG-SG 2.03Å; C246-C268 PolarHBondContact SG-SG 3.5Å
247	E	93.2	Very high	92.7	Very high	95 Å²	95	48.8 Å²	48.8	44%	0.444	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-50.7	-169.7	-64.5	-69	-178.1	0	0	112.5	K230 W245 G249 N250	K230-E247 VanDerWaalsContact CD-OE1 3.29Å; K230-E247 WeakPolarHBondContact CD-OE1 3.28Å; K230-E247 VanDerWaalsContact CE-OE1 3.25Å; K230-E247 WeakPolarHBondContact CE-OE1 3.1Å; K230-E247 IonicContact NZ-OE1 2.64Å; K230-E247 PolarHBondContact NZ-OE1 2.68Å; W245-E247 VanDerWaalsContact CD1-OE2 3.32Å; W245-E247 PolarHBondContact NE1-OE2 2.79Å; E247-G249 VanDerWaalsContact C-N 3.29Å; E247-G249 PolarHBondContact O-N 3.25Å; E247-N250 PolarHBondContact O-N 3.41Å
248	K	91.5	Very high	92.3	Very high	114 Å²	114	54.1 Å²	54.1	50%	0.496	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-26.9	177.5	179.6	168	164.4	-156.1	0	112.7	N40 V41 I42 C246 N250	N40-K248 PolarHBondContact ND2-O 3.42Å; V41-K248 WeakPolarHBondContact O-CE 3.15Å; V41-K248 PolarHBondContact O-NZ 2.77Å; I42-K248 HydrophobicContact CG2-CB 4.19Å; I42-K248 WeakPolarHBondContact O-CD 3.43Å; I42-K248 WeakPolarHBondContact O-CE 3.25Å; I42-K248 PolarHBondContact O-NZ 2.95Å; C246-K248 PolarHBondContact O-N 2.82Å; K248-N250 VanDerWaalsContact C-N 3.29Å
249	G	89.8	Confident	92	Very high	4 Å²	4	57.7 Å²	57.7	4%	0.041	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-27	172.5	0	0	0	0	0	113.5	N40 C246 E247 A251	N40-G249 VanDerWaalsContact ND2-CA 3.31Å; N40-G249 WeakPolarHBondContact ND2-CA 3.38Å; N40-G249 PolarHBondContact ND2-O 3.44Å; N40-G249 VanDerWaalsContact ND2-O 3.13Å; C246-G249 CarbonylContact O-C 3.56Å; C246-G249 WeakPolarHBondContact O-CA 3.4Å; C246-G249 PolarHBondContact O-N 2.81Å; E247-G249 VanDerWaalsContact C-N 3.29Å; E247-G249 PolarHBondContact O-N 3.25Å; G249-A251 PolarHBondContact O-N 2.96Å
250	N	92.4	Very high	91.9	Very high	116 Å²	116	54.2 Å²	54.2	62%	0.62	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	45	42.2	-161.6	-166.7	45.9	0	0	0	112.1	W245 C246 E247 K248	W245-N250 WeakPolarHBondContact CH2-OD1 3.26Å; W245-N250 WeakPolarHBondContact CZ2-OD1 3.37Å; C246-N250 PolarHBondContact O-N 3.17Å; E247-N250 PolarHBondContact O-N 3.41Å; K248-N250 VanDerWaalsContact C-N 3.29Å
251	A	93.7	Very high	92	Very high	22 Å²	22	48.5 Å²	48.5	18%	0.182	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	145.1	-171.6	0	0	0	0	0	110.9	L52 C246 G249	L52-A251 HydrophobicContact CD1-CB 3.88Å; C246-A251 PolarHBondContact N-O 2.85Å; C246-A251 PolarHBondContact O-N 3.42Å; G249-A251 PolarHBondContact O-N 2.96Å
252	C	95.3	Very high	91.8	Very high	4 Å²	4	49.6 Å²	49.6	3%	0.027	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	127.2	173.1	-171.9	0	0	0	0	109.7	C224 S225 Y227 C233 I244 W245	C224-C252 VanDerWaalsContact O-CB 3.23Å; C224-C252 WeakPolarHBondContact O-CB 3.04Å; C224-C252 PolarHBondContact O-SG 3.07Å; C224-C252 VanDerWaalsContact O-SG 3.32Å; S225-C252 WeakPolarHBondContact CA-O 3.21Å; S225-C252 PolarHBondContact N-O 2.95Å; Y227-C252 WeakPolarHBondContact O-CB 3.29Å; C233-C252 WeakPolarHBondContact CA-SG 3.42Å; C233-C252 HydrophobicContact CB-CB 3.6Å; C233-C252 WeakPolarHBondContact CB-SG 3.32Å; C233-C252 WeakPolarHBondContact SG-CB 3.41Å; C233-C252 CovalentContact SG-SG 2.02Å; C233-C252 PolarHBondContact SG-SG 3.15Å; I244-C252 WeakPolarHBondContact O-CA 3.49Å; W245-C252 HydrophobicContact CE3-CB 3.95Å; W245-C252 HydrophobicContact CZ3-CB 4.19Å
253	I	95.2	Very high	91.6	Very high	5 Å²	5	50.1 Å²	50.1	3%	0.026	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	154.2	-177.6	66.3	171.1	0	0	0	111.7	L52 I220 C243 I244 C246	L52-I253 HydrophobicContact CD1-CG2 4.45Å; L52-I253 HydrophobicContact CD2-CG2 4.34Å; I220-I253 HydrophobicContact CG2-CG2 4.19Å; C243-I253 WeakPolarHBondContact CA-O 3.3Å; I244-I253 HydrophobicContact CB-CG1 4.26Å; I244-I253 PolarHBondContact N-O 2.81Å; I244-I253 PolarHBondContact O-N 2.9Å; C246-I253 VanDerWaalsContact SG-CD1 3.6Å
254	E	94.9	Very high	91.4	Very high	26 Å²	26	50.3 Å²	50.3	12%	0.121	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	142	174.2	-74.7	179.9	-142.5	0	0	112.4	G221 E222 I223 C224 T241 I242 N256 K264	G221-E254 VanDerWaalsContact CA-CD 3.41Å; G221-E254 WeakPolarHBondContact CA-OE1 3.13Å; E222-E254 PolarHBondContact N-OE1 2.75Å; E222-E254 VanDerWaalsContact N-OE1 3.16Å; I223-E254 WeakPolarHBondContact CA-OE1 3.47Å; I223-E254 VanDerWaalsContact CB-OE1 3.27Å; I223-E254 WeakPolarHBondContact CB-OE1 3.48Å; I223-E254 PolarHBondContact N-OE1 2.84Å; C224-E254 HydrophobicContact CB-CG 3.69Å; C224-E254 PolarHBondContact N-OE1 3.31Å; C224-E254 WeakPolarHBondContact SG-CG 3.41Å; T241-E254 HydrophobicContact CG2-CG 4.06Å; I242-E254 CarbonylContact O-C 3.6Å; I242-E254 WeakPolarHBondContact O-CA 3.4Å; E254-N256 PolarHBondContact OE2-ND2 3.44Å; E254-K264 PolarHBondContact O-NZ 3.04Å
255	S	92.8	Very high	91.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.265	C	S	.	.			trans	-139.9	54.2	-178.2	-162.5	0	0	0	0	111.4	I242 I244 H261 K264	I242-S255 PolarHBondContact O-N 3.02Å; I244-S255 WeakPolarHBondContact CD1-OG 3.25Å; S255-H261 PolarHBondContact O-ND1 2.87Å; S255-H261 WeakPolarHBondContact OG-CA 3.36Å; S255-H261 PolarHBondContact OG-ND1 2.8Å; S255-K264 WeakPolarHBondContact OG-CD 3.46Å
256	N	87.6	Confident	91.1	Very high	68 Å²	68	54.6 Å²	54.6	36%	0.364	29%	0.289	S	S	.	.			trans	-79.5	-23.3	-173	-53.9	-31.7	0	0	0	113.2	T241 I242 E254 Q258	T241-N256 VanDerWaalsContact CA-OD1 3.28Å; T241-N256 WeakPolarHBondContact CA-OD1 3.3Å; I242-N256 PolarHBondContact N-OD1 3.25Å; E254-N256 PolarHBondContact OE2-ND2 3.44Å; N256-Q258 PolarHBondContact O-N 2.03Å
257	D	86.1	Confident	90.9	Very high	51 Å²	51	54.9 Å²	54.9	27%	0.273	29%	0.29	S	S	.	.			trans	-79.4	113.2	175.8	173.5	9.4	0	0	0	110.1	N259 T260 H261	D257-N259 PolarHBondContact O-N 2.88Å; D257-N259 WeakPolarHBondContact OD1-CB 3.3Å; D257-N259 PolarHBondContact OD1-N 3.2Å; D257-T260 WeakPolarHBondContact CB-OG1 3.47Å; D257-T260 VanDerWaalsContact CG-OG1 3.27Å; D257-T260 PolarHBondContact O-N 2.72Å; D257-T260 PolarHBondContact O-OG1 2.9Å; D257-T260 WeakPolarHBondContact OD2-CG2 3.33Å; D257-T260 PolarHBondContact OD2-OG1 3.19Å; D257-H261 WeakPolarHBondContact O-CB 3.34Å; D257-H261 PolarHBondContact O-N 3.29Å
258	Q	85.3	Confident	90.9	Very high	173 Å²	173	50.4 Å²	50.4	81%	0.808	27%	0.27	S	S	*	.	H	α-helix	trans	-60.7	-31.8	-179.1	-67.5	-174.3	-16.4	0	0	112.7	N256 T260	N256-Q258 PolarHBondContact O-N 2.03Å; Q258-T260 VanDerWaalsContact C-N 3.33Å; Q258-T260 PolarHBondContact O-N 2.7Å
259	N	86.3	Confident	90.5	Very high	152 Å²	152	53.3 Å²	53.3	81%	0.813	28%	0.277	S	S	*	.	H	α-helix	trans	-72.1	-30	-178.1	-62.8	-41.6	0	0	0	112.1	D257	D257-N259 PolarHBondContact O-N 2.88Å; D257-N259 WeakPolarHBondContact OD1-CB 3.3Å; D257-N259 PolarHBondContact OD1-N 3.2Å
260	T	87.5	Confident	89.5	Confident	22 Å²	22	55.5 Å²	55.5	14%	0.135	29%	0.29	C	S	.	.	H	α-helix	trans	-105.3	-3.9	-179.3	57.1	0	0	0	0	113	D257 Q258 G262 L263 K264	D257-T260 WeakPolarHBondContact CB-OG1 3.47Å; D257-T260 VanDerWaalsContact CG-OG1 3.27Å; D257-T260 PolarHBondContact O-N 2.72Å; D257-T260 PolarHBondContact O-OG1 2.9Å; D257-T260 WeakPolarHBondContact OD2-CG2 3.33Å; D257-T260 PolarHBondContact OD2-OG1 3.19Å; Q258-T260 VanDerWaalsContact C-N 3.33Å; Q258-T260 PolarHBondContact O-N 2.7Å; T260-G262 PolarHBondContact O-N 3.35Å; T260-L263 WeakPolarHBondContact O-CB 3.42Å; T260-L263 PolarHBondContact O-N 2.92Å; T260-K264 PolarHBondContact O-N 2.83Å
261	H	90.5	Very high	87.8	Confident	60 Å²	60	58.1 Å²	58.1	28%	0.278	30%	0.299	S	S	.	.	H	α-helix	trans	-55.9	-54.7	-177	178.7	79.9	0	0	0	112.7	S255 D257 L263 K264 V265	S255-H261 PolarHBondContact O-ND1 2.87Å; S255-H261 WeakPolarHBondContact OG-CA 3.36Å; S255-H261 PolarHBondContact OG-ND1 2.8Å; D257-H261 WeakPolarHBondContact O-CB 3.34Å; D257-H261 PolarHBondContact O-N 3.29Å; H261-L263 VanDerWaalsContact C-N 3.27Å; H261-L263 PolarHBondContact O-N 3.47Å; H261-K264 PolarHBondContact O-N 2.77Å; H261-V265 WeakPolarHBondContact O-CG2 3.14Å; H261-V265 PolarHBondContact O-N 3.22Å
262	G	90.1	Very high	85.6	Confident	39 Å²	39	66.7 Å²	66.7	40%	0.402	33%	0.332	S	S	.	.	H	α-helix	trans	-60.8	-36.8	-180	0	0	0	0	0	112.8	T260 V265 N266	T260-G262 PolarHBondContact O-N 3.35Å; G262-V265 PolarHBondContact O-N 2.96Å; G262-N266 VanDerWaalsContact O-CG 3.3Å; G262-N266 PolarHBondContact O-N 2.82Å; G262-N266 VanDerWaalsContact O-N 3.09Å; G262-N266 PolarHBondContact O-ND2 2.96Å
263	L	90.4	Very high	83.1	Confident	62 Å²	62	75.7 Å²	75.7	33%	0.325	37%	0.37	S	S	.	.	H	α-helix	trans	-64.5	-47.6	176	-178	60.2	0	0	0	111.3	R59 T260 H261 V265 N266 D267	R59-L263 VanDerWaalsContact CZ-CD2 3.43Å; T260-L263 WeakPolarHBondContact O-CB 3.42Å; T260-L263 PolarHBondContact O-N 2.92Å; H261-L263 VanDerWaalsContact C-N 3.27Å; H261-L263 PolarHBondContact O-N 3.47Å; L263-V265 VanDerWaalsContact C-N 3.32Å; L263-V265 PolarHBondContact O-N 3.13Å; L263-N266 PolarHBondContact O-N 3.26Å; L263-D267 VanDerWaalsContact O-CG 3.25Å; L263-D267 PolarHBondContact O-N 2.83Å
264	K	92.2	Very high	80.3	Confident	10 Å²	10	80.4 Å²	80.4	4%	0.043	40%	0.404	C	S	.	.	H	α-helix	trans	-62.2	-37.3	176.2	-75	-179.9	172.8	-179.7	0	113	E218 I244 E254 S255 T260 H261 D267 C268	E218-K264 VanDerWaalsContact CD-NZ 3.27Å; E218-K264 WeakPolarHBondContact OE1-CE 3.39Å; E218-K264 IonicContact OE1-NZ 3.85Å; E218-K264 PolarHBondContact OE1-NZ 2.87Å; E218-K264 WeakPolarHBondContact OE2-CE 3.38Å; E218-K264 IonicContact OE2-NZ 3.86Å; E218-K264 PolarHBondContact OE2-NZ 2.88Å; I244-K264 HydrophobicContact CD1-CB 3.98Å; E254-K264 PolarHBondContact O-NZ 3.04Å; S255-K264 WeakPolarHBondContact OG-CD 3.46Å; T260-K264 PolarHBondContact O-N 2.83Å; H261-K264 PolarHBondContact O-N 2.77Å; K264-D267 PolarHBondContact O-N 3.17Å; K264-C268 WeakPolarHBondContact O-CB 3.43Å; K264-C268 PolarHBondContact O-N 2.68Å
265	V	92	Very high	77.4	Confident	16 Å²	16	86.5 Å²	86.5	10%	0.097	44%	0.437	C	S	.	.	H	α-helix	trans	-59.3	-49.4	173.6	171.3	0	0	0	0	109.8	I244 H261 G262 L263 D267 C268 R269	I244-V265 HydrophobicContact CD1-CB 4.33Å; I244-V265 HydrophobicContact CD1-CG2 3.4Å; I244-V265 VanDerWaalsContact CD1-CG2 3.4Å; I244-V265 HydrophobicContact CG1-CG2 4.18Å; H261-V265 WeakPolarHBondContact O-CG2 3.14Å; H261-V265 PolarHBondContact O-N 3.22Å; G262-V265 PolarHBondContact O-N 2.96Å; L263-V265 VanDerWaalsContact C-N 3.32Å; L263-V265 PolarHBondContact O-N 3.13Å; V265-D267 VanDerWaalsContact C-N 3.35Å; V265-D267 PolarHBondContact O-N 3.07Å; V265-C268 PolarHBondContact O-N 3.05Å; V265-R269 HydrophobicContact CG1-CG 4.08Å; V265-R269 VanDerWaalsContact CG1-NE 3.28Å; V265-R269 WeakPolarHBondContact O-CB 3.3Å; V265-R269 VanDerWaalsContact O-CG 3.3Å; V265-R269 WeakPolarHBondContact O-CG 3.26Å; V265-R269 PolarHBondContact O-N 3.29Å
266	N	90.9	Very high	74.4	Confident	107 Å²	107	92 Å²	92	57%	0.572	47%	0.471	S	S	*	.	H	α-helix	trans	-64.5	-39.5	179.9	-68.1	-21.1	0	0	0	112.3	G262 L263 C268 R269	G262-N266 VanDerWaalsContact O-CG 3.3Å; G262-N266 PolarHBondContact O-N 2.82Å; G262-N266 VanDerWaalsContact O-N 3.09Å; G262-N266 PolarHBondContact O-ND2 2.96Å; L263-N266 PolarHBondContact O-N 3.26Å; N266-C268 PolarHBondContact O-N 3.12Å; N266-R269 PolarHBondContact O-N 3.32Å
267	D	92	Very high	71.7	Confident	6 Å²	6	96 Å²	96	3%	0.032	49%	0.492	C	S	.	.	H	α-helix	trans	-57.7	-34.2	175.5	-75.5	-23.9	0	0	0	113	I42 Y48 Y50 R59 L263 K264 V265	I42-D267 VanDerWaalsContact CG2-O 3.26Å; I42-D267 WeakPolarHBondContact CG2-O 3.33Å; Y48-D267 VanDerWaalsContact CE1-OD1 3.3Å; Y48-D267 WeakPolarHBondContact CE1-OD1 3.43Å; Y48-D267 VanDerWaalsContact CZ-OD1 3.23Å; Y48-D267 VanDerWaalsContact OH-CG 3.23Å; Y48-D267 PolarHBondContact OH-OD1 3.39Å; Y48-D267 PolarHBondContact OH-OD2 2.87Å; Y50-D267 HydrophobicContact CD1-CB 3.59Å; Y50-D267 HydrophobicContact CD2-CB 4.41Å; Y50-D267 HydrophobicContact CE1-CB 3.76Å; Y50-D267 HydrophobicContact CG-CB 3.93Å; R59-D267 IonicContact CZ-OD2 3.47Å; R59-D267 VanDerWaalsContact CZ-OD2 3.29Å; R59-D267 IonicContact NE-OD2 2.76Å; R59-D267 PolarHBondContact NE-OD2 3.34Å; R59-D267 IonicContact NH2-OD2 3.39Å; R59-D267 PolarHBondContact NH2-OD2 2.99Å; L263-D267 VanDerWaalsContact O-CG 3.25Å; L263-D267 PolarHBondContact O-N 2.83Å; K264-D267 PolarHBondContact O-N 3.17Å; V265-D267 VanDerWaalsContact C-N 3.35Å; V265-D267 PolarHBondContact O-N 3.07Å
268	C	91.5	Very high	69.1	Low	1 Å²	1	100.9 Å²	100.9	1%	0.007	52%	0.518	C	S	.	.	H	α-helix	trans	-96	-18.3	-176	-76.4	0	0	0	0	114.5	I244 C246 K264 V265 N266 V270	I244-C268 HydrophobicContact CG2-CB 3.98Å; C246-C268 HydrophobicContact CB-CB 3.6Å; C246-C268 WeakPolarHBondContact CB-SG 3.29Å; C246-C268 WeakPolarHBondContact SG-CB 3.26Å; C246-C268 CovalentContact SG-SG 2.03Å; C246-C268 PolarHBondContact SG-SG 3.5Å; K264-C268 WeakPolarHBondContact O-CB 3.43Å; K264-C268 PolarHBondContact O-N 2.68Å; V265-C268 PolarHBondContact O-N 3.05Å; N266-C268 PolarHBondContact O-N 3.12Å; C268-V270 VanDerWaalsContact C-N 3.34Å; C268-V270 PolarHBondContact O-N 3.13Å
269	R	84.3	Confident	66.5	Low	175 Å²	175	99.9 Å²	99.9	66%	0.66	52%	0.517	S	S	*	.			trans	-89	20.1	-178.9	-78.9	-171.8	-178.2	169.7	2.9	114.7	V265 N266 E271	V265-R269 HydrophobicContact CG1-CG 4.08Å; V265-R269 VanDerWaalsContact CG1-NE 3.28Å; V265-R269 WeakPolarHBondContact O-CB 3.3Å; V265-R269 VanDerWaalsContact O-CG 3.3Å; V265-R269 WeakPolarHBondContact O-CG 3.26Å; V265-R269 PolarHBondContact O-N 3.29Å; N266-R269 PolarHBondContact O-N 3.32Å; R269-E271 VanDerWaalsContact C-N 3.34Å; R269-E271 PolarHBondContact O-N 3.3Å
270	V	68.5	Low	63.8	Low	51 Å²	51	99.9 Å²	99.9	31%	0.309	52%	0.517	S	S	.	.			trans	-62.3	100.5	174.2	-175.8	0	0	0	0	109.2	I43 C268 K272	I43-V270 HydrophobicContact CB-CG2 3.85Å; I43-V270 HydrophobicContact CD1-CG2 3.8Å; I43-V270 HydrophobicContact CG1-CG2 4.11Å; I43-V270 HydrophobicContact CG2-CG2 4.46Å; C268-V270 VanDerWaalsContact C-N 3.34Å; C268-V270 PolarHBondContact O-N 3.13Å; V270-K272 PolarHBondContact O-N 3.16Å
271	E	56.6	Low	61.1	Low	171 Å²	171	103.9 Å²	103.9	80%	0.799	55%	0.546	S	S	*	.			trans	-55.5	130.4	173.1	-70.4	-175.7	172.8	0	0	107.3	R269 K273	R269-E271 VanDerWaalsContact C-N 3.34Å; R269-E271 PolarHBondContact O-N 3.3Å; E271-K273 PolarHBondContact O-N 3.28Å
272	K	47.9	Very low	58.1	Low	201 Å²	201	106.8 Å²	106.8	87%	0.874	57%	0.573	S	S	*	*			trans	-54.9	108.7	167.7	-158.3	178.6	-172.4	-177.7	0	104.5	V270 S274	V270-K272 PolarHBondContact O-N 3.16Å; K272-S274 PolarHBondContact O-N 3.11Å
273	K	42	Very low	55.1	Low	193 Å²	193	110.3 Å²	110.3	84%	0.839	59%	0.588	S	S	*	*			trans	-50.6	111.8	167.9	-79.3	-173.4	177.5	-178.1	0	104.6	E271 D275	E271-K273 PolarHBondContact O-N 3.28Å; K273-D275 PolarHBondContact O-N 3.45Å
274	S	36	Very low	51.9	Low	104 Å²	104	113.8 Å²	113.8	73%	0.727	61%	0.612	S	S	*	*			trans	-61.7	107.2	171.5	47.3	0	0	0	0	105.3	K272 V276	K272-S274 PolarHBondContact O-N 3.11Å; S274-V276 PolarHBondContact O-N 2.89Å
275	D	34	Very low	49	Very low	154 Å²	154	121.7 Å²	121.7	82%	0.824	65%	0.651	S	S	*	*	S	Bend	trans	-52.7	138.7	153.8	-71.4	-43.9	0	0	0	106.4	K273	K273-D275 PolarHBondContact O-N 3.45Å
276	V	31	Very low	45.7	Very low	117 Å²	117	129.3 Å²	129.3	71%	0.709	69%	0.685	S	S	*	*	S	Bend	trans	102.1	107.1	-179.8	-169.7	0	0	0	0	114.3	S274 D278	S274-V276 PolarHBondContact O-N 2.89Å; V276-D278 PolarHBondContact O-N 3.11Å; V276-D278 VanDerWaalsContact O-N 3.15Å
277	N	31.3	Very low	42.8	Very low	152 Å²	152	132 Å²	132	81%	0.813	69%	0.694	S	S	*	*			trans	-40.3	109.9	154.6	-71.8	-31.2	0	0	0	110.8
278	D	30.9	Very low	39.7	Very low	153 Å²	153	136.9 Å²	136.9	82%	0.818	73%	0.729	S	S	*	*			trans	-135.6	104.1	145.8	-86.5	-38.5	0	0	0	107.8	V276	V276-D278 PolarHBondContact O-N 3.11Å; V276-D278 VanDerWaalsContact O-N 3.15Å
279	L	30.2	Very low	36.7	Very low	151 Å²	151	144.1 Å²	144.1	79%	0.791	76%	0.762	S	S	*	*			trans	-56.6	141.7	159.8	-100.5	89.3	0	0	0	108.7
280	N	30.7	Very low	33.9	Very low	152 Å²	152	141 Å²	141	81%	0.813	76%	0.763	S	S	*	*			trans	78.6	87.9	165.4	-59.5	-3.1	0	0	0	117.1
281	S	30.3	Very low	31.9	Very low	106 Å²	106	144.9 Å²	144.9	74%	0.741	79%	0.787	S	S	*	*				-156.9	120.7	100.4	71.6	0	0	0	0	109.9	T283	S281-T283 PolarHBondContact O-N 2.89Å
282	S	26.3	Very low	30.6	Very low	121 Å²	121	143.7 Å²	143.7	85%	0.846	79%	0.785	S	S	*	*			trans	-74.4	116.3	160.3	69.6	0	0	0	0	106.6
283	T	28.3	Very low	29.4	Very low	114 Å²	114	137.5 Å²	137.5	70%	0.699	78%	0.778	S	S	*	*			trans	-132.6	106.5	157.1	-50.3	0	0	0	0	107.1	S281 M285	S281-T283 PolarHBondContact O-N 2.89Å; T283-M285 PolarHBondContact O-N 3.17Å; T283-M285 VanDerWaalsContact O-N 3.11Å
284	T	22.9	Very low	28.9	Very low	135 Å²	135	134.5 Å²	134.5	83%	0.828	77%	0.77	S	S	*	*			trans	-39.2	110.6	167.6	-52.5	0	0	0	0	110
285	M	30.7	Very low	28.3	Very low	176 Å²	176	134.8 Å²	134.8	87%	0.867	77%	0.772	S	S	*	*			trans	-95.5	111.3	167.2	-86.5	-143.7	57.8	0	0	108.9	T283	T283-M285 PolarHBondContact O-N 3.17Å; T283-M285 VanDerWaalsContact O-N 3.11Å
286	E	23.9	Very low	27.7	Very low	176 Å²	176	136.4 Å²	136.4	82%	0.822	78%	0.775	S	S	*	*			trans	-62.5	128.8	-179.9	-151.1	172.8	-166.3	0	0	110.9	S288	E286-S288 PolarHBondContact O-N 3.34Å; E286-S288 VanDerWaalsContact O-N 3.16Å
287	H	29.5	Very low	27.3	Very low	162 Å²	162	137.6 Å²	137.6	75%	0.75	78%	0.782	S	S	*	*			trans	-70.7	101.8	177.3	-130.1	49.6	0	0	0	108.9	E289	H287-E289 PolarHBondContact O-N 3.09Å
288	S	26.2	Very low	26.7	Very low	109 Å²	109	138.3 Å²	138.3	76%	0.762	78%	0.78	S	S	*	*			trans	-89	80.1	167.1	27.4	0	0	0	0	109	E286 T290	E286-S288 PolarHBondContact O-N 3.34Å; E286-S288 VanDerWaalsContact O-N 3.16Å; S288-T290 PolarHBondContact O-N 2.96Å
289	E	28.2	Very low	26.2	Very low	154 Å²	154	136.7 Å²	136.7	72%	0.72	78%	0.776	S	S	*	*			trans	-65.1	97.8	159.2	-78.7	-176.5	158.9	0	0	108.1	H287 T291	H287-E289 PolarHBondContact O-N 3.09Å; E289-T291 PolarHBondContact O-N 3.21Å
290	T	27.4	Very low	25.7	Very low	110 Å²	110	136.5 Å²	136.5	68%	0.675	78%	0.781	S	S	*	*			trans	-86.9	90.8	170.6	-50.1	0	0	0	0	108.4	S288 L292	S288-T290 PolarHBondContact O-N 2.96Å; T290-L292 VanDerWaalsContact C-N 3.34Å; T290-L292 HydrophobicContact CG2-CD1 4.5Å; T290-L292 HydrophobicContact CG2-CD2 4.49Å; T290-L292 HydrophobicContact CG2-CG 3.96Å; T290-L292 PolarHBondContact O-N 3.48Å
291	T	25.3	Very low	25.3	Very low	132 Å²	132	136.3 Å²	136.3	81%	0.81	78%	0.775	S	S	*	*			trans	-67.3	91.6	164.6	-58.1	0	0	0	0	108.6	E289 G293	E289-T291 PolarHBondContact O-N 3.21Å; T291-G293 PolarHBondContact O-N 3.01Å
292	L	29.6	Very low	25	Very low	146 Å²	146	139.2 Å²	139.2	76%	0.764	78%	0.783	S	S	*	*			trans	-78.1	95.8	171.9	-83.2	162.9	0	0	0	109.3	T290 I294	T290-L292 VanDerWaalsContact C-N 3.34Å; T290-L292 HydrophobicContact CG2-CD1 4.5Å; T290-L292 HydrophobicContact CG2-CD2 4.49Å; T290-L292 HydrophobicContact CG2-CG 3.96Å; T290-L292 PolarHBondContact O-N 3.48Å; L292-I294 PolarHBondContact O-N 2.86Å
293	G	22.6	Very low	24.8	Very low	70 Å²	70	141.2 Å²	141.2	72%	0.722	78%	0.778	S	S	*	*			trans	-66.1	119.3	166.4	0	0	0	0	0	110.6	T291	T291-G293 PolarHBondContact O-N 3.01Å
294	I	31.3	Very low	24.7	Very low	130 Å²	130	143.7 Å²	143.7	67%	0.667	79%	0.786	S	S	*	*			trans	-94.9	104.1	171.4	-61.3	175.2	0	0	0	107	L292	L292-I294 PolarHBondContact O-N 2.86Å
295	S	23.7	Very low	24.7	Very low	110 Å²	110	146.6 Å²	146.6	77%	0.769	79%	0.787	S	S	*	*			trans	-71.9	134.8	168.7	-60	0	0	0	0	110.6
296	E	21	Very low	24.3	Very low	188 Å²	188	145 Å²	145	88%	0.879	78%	0.78	S	S	*	*			trans	-60	133.9	168.4	-70.2	177.4	137.6	0	0	111.1
297	V	23	Very low	24.2	Very low	143 Å²	143	143.6 Å²	143.6	87%	0.867	78%	0.784	S	S	*	*			trans	-125.1	115.2	163.1	176.6	0	0	0	0	108.4
298	Q	19.1	Very low	24	Very low	166 Å²	166	143.9 Å²	143.9	78%	0.776	79%	0.785	S	S	*	*			trans	-86.1	140.5	173	-76.8	-158.2	-19.5	0	0	112
299	V	20	Very low	24.1	Very low	119 Å²	119	147.9 Å²	147.9	72%	0.721	79%	0.792	S	S	*	*			trans	50.6	116.5	137.5	-174	0	0	0	0	119.3
300	T	20.3	Very low	23.9	Very low	147 Å²	147	146.3 Å²	146.3	90%	0.902	79%	0.793	S	S	*	*				-154	133.5	123.4	-24.1	0	0	0	0	112.2
301	E	21.4	Very low	23.9	Very low	149 Å²	149	148.1 Å²	148.1	70%	0.696	80%	0.798	S	S	*	*			trans	-88.1	142.6	-178.8	178	169.7	-166.7	0	0	110.9
302	N	24.5	Very low	24	Very low	167 Å²	167	150.1 Å²	150.1	89%	0.893	80%	0.799	S	S	*	*			trans	-136.6	111.5	167.1	-95.9	-21.8	0	0	0	111
303	H	21.8	Very low	23.9	Very low	162 Å²	162	149.9 Å²	149.9	75%	0.75	80%	0.798	S	S	*	*			trans	-65.4	138.3	169.3	-101.6	-81	0	0	0	112.4
304	I	26.3	Very low	24.2	Very low	167 Å²	167	154.4 Å²	154.4	86%	0.856	81%	0.805	S	S	*	*			trans	-124.7	132.7	157.1	-65.9	179.1	0	0	0	108.8
305	K	22.3	Very low	24	Very low	196 Å²	196	156.3 Å²	156.3	85%	0.852	82%	0.817	S	S	*	*			trans	-85.2	158.5	-168	-102.5	178.8	176.7	178.7	0	114.3
306	I	22.3	Very low	24.5	Very low	143 Å²	143	159.7 Å²	159.7	73%	0.733	82%	0.822	S	S	*	*			trans	-68.7	150	176.8	-64.1	156.7	0	0	0	113	E308	I306-E308 HydrophobicContact CG2-CG 4.01Å
307	T	22.3	Very low	25.5	Very low	146 Å²	146	156.4 Å²	156.4	90%	0.896	82%	0.815	S	S	*	*			trans	-131.7	124.6	154.5	-28.8	0	0	0	0	109.4
308	E	24.5	Very low	26	Very low	168 Å²	168	156.5 Å²	156.5	79%	0.785	82%	0.816	S	S	*	*			trans	-108	143.4	174.4	-76.4	175.9	142.5	0	0	110	I306	I306-E308 HydrophobicContact CG2-CG 4.01Å
309	E	28.9	Very low	27	Very low	193 Å²	193	159.4 Å²	159.4	90%	0.902	82%	0.82	S	S	*	*			trans	-155.5	96.4	153.9	-99.1	-175.7	168.1	0	0	105.5
310	T	25.1	Very low	28.3	Very low	120 Å²	120	157.3 Å²	157.3	74%	0.736	81%	0.808	S	S	*	*				65	104.4	84.3	-28.5	0	0	0	0	116.9
311	D	25.9	Very low	29.3	Very low	148 Å²	148	156.4 Å²	156.4	79%	0.791	80%	0.802	S	S	*	*			trans	31.6	128.3	143.4	-61.1	-34.8	0	0	0	123.1
312	Q	27.2	Very low	30.4	Very low	174 Å²	174	157.9 Å²	157.9	81%	0.813	81%	0.809	S	S	*	*				-164.7	134.2	123	-108.5	174.7	24.2	0	0	114.6
313	N	29.2	Very low	31.5	Very low	142 Å²	142	156.5 Å²	156.5	76%	0.759	80%	0.797	S	S	*	*			trans	96.8	86.9	144.6	-60.9	-23.9	0	0	0	121.2
314	L	28.3	Very low	32.9	Very low	165 Å²	165	153.9 Å²	153.9	86%	0.864	79%	0.789	S	S	*	*			trans	-65.3	123.2	146.8	-72.7	117.1	0	0	0	111.6
315	N	27.3	Very low	34	Very low	170 Å²	170	155 Å²	155	91%	0.909	79%	0.787	S	S	*	*			trans	-179.1	61.2	148.8	-97.2	-13.2	0	0	0	113.5
316	M	34.5	Very low	35.3	Very low	181 Å²	181	152 Å²	152	89%	0.892	78%	0.777	S	S	*	*			trans	-136.7	49.9	175.5	-155.8	-168.6	-77.9	0	0	113.3
317	T	41.6	Very low	36.9	Very low	118 Å²	118	151.5 Å²	151.5	72%	0.724	77%	0.771	S	S	*	*			trans	-109.3	-2.8	-174.2	-45.3	0	0	0	0	115	T320	T317-T320 PolarHBondContact O-OG1 2.89Å
318	T	34.1	Very low	38.5	Very low	145 Å²	145	152.5 Å²	152.5	89%	0.89	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	0.8	-174.8	-6.3	0	0	0	0	116.1
319	R	39.7	Very low	40	Very low	227 Å²	227	148.1 Å²	148.1	86%	0.857	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	2	-178.4	-99.4	-176.3	167.5	130.2	-1.1	115.8	T321	R319-T321 PolarHBondContact O-N 3.3Å
320	T	46.5	Very low	41.3	Very low	76 Å²	76	143.1 Å²	143.1	47%	0.466	73%	0.727	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.7	-1.2	-162.5	-17	0	0	0	0	116.5	T317 N324	T317-T320 PolarHBondContact O-OG1 2.89Å; T320-N324 PolarHBondContact O-ND2 2.86Å
321	T	41.8	Very low	43.3	Very low	128 Å²	128	144.4 Å²	144.4	79%	0.785	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	-30.2	-171.5	-34.3	0	0	0	0	114.3	R319	R319-T321 PolarHBondContact O-N 3.3Å
322	E	44.2	Very low	45.2	Very low	179 Å²	179	144.5 Å²	144.5	84%	0.836	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	-28.4	-174	-148.3	153.6	-157.1	0	0	113	N324	E322-N324 VanDerWaalsContact C-N 3.31Å; E322-N324 PolarHBondContact O-N 2.85Å
323	E	48.1	Very low	47.1	Very low	139 Å²	139	140.7 Å²	140.7	65%	0.65	69%	0.694	S	S	*	*	H	α-helix	trans	-66.4	-27.3	178.1	-69.3	-176.9	152.6	0	0	113.8	K325 Q326 H327	E323-K325 PolarHBondContact O-N 2.85Å; E323-Q326 PolarHBondContact O-N 2.91Å; E323-H327 PolarHBondContact O-N 2.78Å
324	N	51.7	Low	49.3	Very low	107 Å²	107	140.8 Å²	140.8	57%	0.572	68%	0.684	S	S	*	*	H	α-helix	trans	-69.3	-28.9	-170.7	-94	-34.1	0	0	0	114.6	T320 E322	T320-N324 PolarHBondContact O-ND2 2.86Å; E322-N324 VanDerWaalsContact C-N 3.31Å; E322-N324 PolarHBondContact O-N 2.85Å
325	K	48.8	Very low	51.6	Low	189 Å²	189	135.7 Å²	135.7	82%	0.822	66%	0.66	S	S	*	*	H	α-helix	trans	-74.6	-38.4	177.5	-105.9	-178.3	179.9	176.9	0	111.9	E323 H327	E323-K325 PolarHBondContact O-N 2.85Å; K325-H327 VanDerWaalsContact C-N 3.35Å
326	Q	48.5	Very low	53.8	Low	134 Å²	134	129.5 Å²	129.5	63%	0.626	63%	0.629	S	S	*	*	H	α-helix	trans	-68.7	-36.6	178.3	-165.7	167	-7.6	0	0	111.1	E323 K328 S329 H330	E323-Q326 PolarHBondContact O-N 2.91Å; Q326-K328 PolarHBondContact O-N 2.75Å; Q326-S329 PolarHBondContact O-N 3.03Å; Q326-H330 PolarHBondContact O-CD2 3.28Å; Q326-H330 PolarHBondContact O-N 3.04Å
327	H	56.4	Low	55.8	Low	133 Å²	133	125.4 Å²	125.4	62%	0.616	61%	0.609	S	S	*	*	H	α-helix	trans	-62.9	-37.2	179	-158.7	-86.7	0	0	0	113.6	E323 K325 H330 W331	E323-H327 PolarHBondContact O-N 2.78Å; K325-H327 VanDerWaalsContact C-N 3.35Å; H327-H330 PolarHBondContact O-N 2.76Å; H327-W331 WeakPolarHBondContact O-CB 3.33Å; H327-W331 PolarHBondContact O-N 2.9Å
328	K	55.5	Low	57.7	Low	166 Å²	166	121.9 Å²	121.9	72%	0.722	59%	0.588	S	S	*	*	H	α-helix	trans	-66.8	-40.4	179.2	-92	-174.9	177.9	179.3	0	113.6	Q326 H330 W331 Y332	Q326-K328 PolarHBondContact O-N 2.75Å; K328-H330 VanDerWaalsContact C-N 3.34Å; K328-W331 PolarHBondContact O-N 2.47Å; K328-Y332 PolarHBondContact O-N 3.37Å
329	S	57.3	Low	60	Low	77 Å²	77	119.8 Å²	119.8	54%	0.538	57%	0.571	S	S	.	*	H	α-helix	trans	-68	-36.6	179.3	-170.2	0	0	0	0	111.7	Q326	Q326-S329 PolarHBondContact O-N 3.03Å
330	H	55.7	Low	62	Low	88 Å²	88	112.4 Å²	112.4	41%	0.407	55%	0.551	S	S	.	*	H	α-helix	trans	-70.9	-40.6	176.7	-75	-120.5	0	0	0	110.9	Q326 H327 K328 Y332 L333 Y334	Q326-H330 PolarHBondContact O-CD2 3.28Å; Q326-H330 PolarHBondContact O-N 3.04Å; H327-H330 PolarHBondContact O-N 2.76Å; K328-H330 VanDerWaalsContact C-N 3.34Å; H330-Y332 VanDerWaalsContact C-N 3.33Å; H330-Y332 PolarHBondContact O-N 2.83Å; H330-L333 PolarHBondContact O-N 2.77Å; H330-Y334 HydrophobicContact CB-CD2 4.06Å; H330-Y334 HydrophobicContact CB-CE2 4.11Å; H330-Y334 AromaticContact ND1-CE2 3.71Å; H330-Y334 WeakPolarHBondContact O-CD2 3.2Å; H330-Y334 PolarHBondContact O-N 2.76Å
331	W	67.5	Low	63.7	Low	146 Å²	146	111 Å²	111	55%	0.553	55%	0.548	S	S	*	.	H	α-helix	trans	-57.7	-42.7	179.2	-175.2	71.8	0	0	0	113.1	H327 K328 L333 V335	H327-W331 WeakPolarHBondContact O-CB 3.33Å; H327-W331 PolarHBondContact O-N 2.9Å; K328-W331 PolarHBondContact O-N 2.47Å; W331-L333 PolarHBondContact O-N 3.27Å; W331-V335 HydrophobicContact CG-CG2 4.38Å; W331-V335 VanDerWaalsContact O-CB 3.26Å; W331-V335 WeakPolarHBondContact O-CB 3.4Å; W331-V335 WeakPolarHBondContact O-CG2 3.38Å; W331-V335 PolarHBondContact O-N 2.99Å
332	Y	64.4	Low	65.8	Low	151 Å²	151	107.2 Å²	107.2	59%	0.592	53%	0.526	S	S	*	.	I	π-helix	trans	-64.9	-40.5	178.7	-159.9	-95	0	0	0	112.5	K328 H330 V336	K328-Y332 PolarHBondContact O-N 3.37Å; H330-Y332 VanDerWaalsContact C-N 3.33Å; H330-Y332 PolarHBondContact O-N 2.83Å; Y332-V336 HydrophobicContact CD2-CB 4.4Å; Y332-V336 HydrophobicContact CD2-CG2 3.92Å; Y332-V336 HydrophobicContact CE2-CB 4.46Å; Y332-V336 HydrophobicContact CE2-CG1 4.32Å; Y332-V336 HydrophobicContact CE2-CG2 4.21Å; Y332-V336 HydrophobicContact CG-CG2 4.4Å; Y332-V336 WeakPolarHBondContact O-CB 3.42Å; Y332-V336 PolarHBondContact O-N 2.86Å
333	L	67.5	Low	67.7	Low	93 Å²	93	103.6 Å²	103.6	49%	0.487	51%	0.512	S	S	.	.	I	π-helix	trans	-73.7	-36.6	-176	-130.5	145.3	0	0	0	112.5	H330 W331 I337	H330-L333 PolarHBondContact O-N 2.77Å; W331-L333 PolarHBondContact O-N 3.27Å; L333-I337 HydrophobicContact CG-CD1 4.32Å
334	Y	75.8	Confident	69.6	Low	144 Å²	144	103.5 Å²	103.5	57%	0.565	51%	0.509	S	S	*	.	I	π-helix	trans	-96.4	-18.9	-175.2	-65.5	-67.7	0	0	0	115	H330 P338	H330-Y334 HydrophobicContact CB-CD2 4.06Å; H330-Y334 HydrophobicContact CB-CE2 4.11Å; H330-Y334 AromaticContact ND1-CE2 3.71Å; H330-Y334 WeakPolarHBondContact O-CD2 3.2Å; H330-Y334 PolarHBondContact O-N 2.76Å; Y334-P338 WeakPolarHBondContact O-CG 3.41Å
335	V	75.7	Confident	71.4	Confident	59 Å²	59	104.2 Å²	104.2	36%	0.358	51%	0.513	S	S	.	.	I	π-helix	trans	-110.6	-47.4	-175.6	-174.9	0	0	0	0	111.9	W331 L339	W331-V335 HydrophobicContact CG-CG2 4.38Å; W331-V335 VanDerWaalsContact O-CB 3.26Å; W331-V335 WeakPolarHBondContact O-CB 3.4Å; W331-V335 WeakPolarHBondContact O-CG2 3.38Å; W331-V335 PolarHBondContact O-N 2.99Å; V335-L339 HydrophobicContact CG1-CD1 4.08Å; V335-L339 WeakPolarHBondContact O-CB 3.42Å; V335-L339 WeakPolarHBondContact O-CD1 3.49Å; V335-L339 PolarHBondContact O-N 3.2Å
336	V	73.5	Confident	73.1	Confident	40 Å²	40	99.4 Å²	99.4	24%	0.242	50%	0.495	C	S	.	.	I	π-helix	trans	-75.6	-44.6	-172.1	-176.6	0	0	0	0	111.7	Y332 L339 V340	Y332-V336 HydrophobicContact CD2-CB 4.4Å; Y332-V336 HydrophobicContact CD2-CG2 3.92Å; Y332-V336 HydrophobicContact CE2-CB 4.46Å; Y332-V336 HydrophobicContact CE2-CG1 4.32Å; Y332-V336 HydrophobicContact CE2-CG2 4.21Å; Y332-V336 HydrophobicContact CG-CG2 4.4Å; Y332-V336 WeakPolarHBondContact O-CB 3.42Å; Y332-V336 PolarHBondContact O-N 2.86Å; V336-L339 PolarHBondContact O-N 3.03Å; V336-V340 HydrophobicContact CG1-CG2 4.46Å; V336-V340 WeakPolarHBondContact O-CG2 3.37Å; V336-V340 PolarHBondContact O-N 2.96Å
337	I	77.3	Confident	74.8	Confident	95 Å²	95	96.4 Å²	96.4	49%	0.487	49%	0.488	S	S	.	.	H	α-helix	trans	-62.7	-46.8	-178.5	-60.5	173.7	0	0	0	111.8	L333 L339 V340 A341	L333-I337 HydrophobicContact CG-CD1 4.32Å; I337-L339 VanDerWaalsContact C-N 3.35Å; I337-L339 PolarHBondContact O-N 3.07Å; I337-V340 PolarHBondContact O-N 3.23Å; I337-A341 WeakPolarHBondContact O-CB 3.3Å; I337-A341 PolarHBondContact O-N 2.86Å
338	P	82.3	Confident	76.3	Confident	44 Å²	44	94.4 Å²	94.4	29%	0.286	48%	0.481	S	S	.	.	H	α-helix	trans	-65.4	-35	177.1	-25.1	38.2	0	0	0	113.4	Y334 A341 S342	Y334-P338 WeakPolarHBondContact O-CG 3.41Å; P338-A341 PolarHBondContact O-N 2.95Å; P338-S342 WeakPolarHBondContact O-CB 3.14Å; P338-S342 PolarHBondContact O-N 2.77Å; P338-S342 PolarHBondContact O-OG 2.64Å
339	L	81.8	Confident	77.8	Confident	101 Å²	101	88.2 Å²	88.2	53%	0.529	47%	0.465	S	S	.	.	H	α-helix	trans	-61.5	-48.6	175.7	-95.3	164.1	0	0	0	111.5	V335 V336 I337 S342 L343	V335-L339 HydrophobicContact CG1-CD1 4.08Å; V335-L339 WeakPolarHBondContact O-CB 3.42Å; V335-L339 WeakPolarHBondContact O-CD1 3.49Å; V335-L339 PolarHBondContact O-N 3.2Å; V336-L339 PolarHBondContact O-N 3.03Å; I337-L339 VanDerWaalsContact C-N 3.35Å; I337-L339 PolarHBondContact O-N 3.07Å; L339-S342 PolarHBondContact O-N 3Å; L339-S342 PolarHBondContact O-OG 3.3Å; L339-L343 PolarHBondContact O-N 3.11Å
340	V	81.7	Confident	79.1	Confident	71 Å²	71	88 Å²	88	43%	0.43	46%	0.462	S	S	.	.	H	α-helix	trans	-63.5	-43.8	177.9	175.2	0	0	0	0	110.8	V336 I337 S342 L343 F344	V336-V340 HydrophobicContact CG1-CG2 4.46Å; V336-V340 WeakPolarHBondContact O-CG2 3.37Å; V336-V340 PolarHBondContact O-N 2.96Å; I337-V340 PolarHBondContact O-N 3.23Å; V340-S342 VanDerWaalsContact C-N 3.31Å; V340-S342 PolarHBondContact O-N 2.63Å; V340-L343 WeakPolarHBondContact O-CB 3.27Å; V340-L343 PolarHBondContact O-N 3.14Å; V340-F344 HydrophobicContact CG1-CD2 3.84Å; V340-F344 HydrophobicContact CG1-CE2 3.58Å; V340-F344 WeakPolarHBondContact O-CD2 3.45Å; V340-F344 PolarHBondContact O-N 3.39Å; V340-F344 VanDerWaalsContact O-N 3.11Å
341	A	82.5	Confident	80.5	Confident	48 Å²	48	89.3 Å²	89.3	40%	0.397	47%	0.471	S	S	.	.	H	α-helix	trans	-61	-39.4	175.9	0	0	0	0	0	112.4	I337 P338 F344 L345	I337-A341 WeakPolarHBondContact O-CB 3.3Å; I337-A341 PolarHBondContact O-N 2.86Å; P338-A341 PolarHBondContact O-N 2.95Å; A341-F344 PolarHBondContact O-N 3.28Å; A341-L345 WeakPolarHBondContact O-CG 3.34Å; A341-L345 PolarHBondContact O-N 3.16Å
342	S	85.4	Confident	81.3	Confident	47 Å²	47	86.7 Å²	86.7	33%	0.329	47%	0.467	S	S	.	.	H	α-helix	trans	-65.2	-39.6	177.9	77.2	0	0	0	0	112.1	P338 L339 V340 L345 I346	P338-S342 WeakPolarHBondContact O-CB 3.14Å; P338-S342 PolarHBondContact O-N 2.77Å; P338-S342 PolarHBondContact O-OG 2.64Å; L339-S342 PolarHBondContact O-N 3Å; L339-S342 PolarHBondContact O-OG 3.3Å; V340-S342 VanDerWaalsContact C-N 3.31Å; V340-S342 PolarHBondContact O-N 2.63Å; S342-L345 PolarHBondContact O-N 2.87Å; S342-I346 WeakPolarHBondContact O-CD1 3Å; S342-I346 VanDerWaalsContact O-CG1 3.22Å; S342-I346 WeakPolarHBondContact O-CG1 3.33Å; S342-I346 PolarHBondContact O-N 3.31Å
343	L	85.4	Confident	82.1	Confident	104 Å²	104	88.2 Å²	88.2	55%	0.545	47%	0.472	S	S	.	.	H	α-helix	trans	-60.9	-44.5	173.5	-86.3	156	0	0	0	111.8	L339 V340 L345 I346 C347	L339-L343 PolarHBondContact O-N 3.11Å; V340-L343 WeakPolarHBondContact O-CB 3.27Å; V340-L343 PolarHBondContact O-N 3.14Å; L343-L345 PolarHBondContact O-N 3.28Å; L343-I346 PolarHBondContact O-N 2.84Å; L343-C347 PolarHBondContact O-N 2.84Å; L343-C347 PolarHBondContact O-SG 2.9Å; L343-C347 VanDerWaalsContact O-SG 3.34Å
344	F	86.1	Confident	82.7	Confident	136 Å²	136	93.3 Å²	93.3	60%	0.596	48%	0.484	S	S	*	.	H	α-helix	trans	-62.8	-41.6	176.6	-82.2	-73	0	0	0	112.6	V340 A341 C347 I348	V340-F344 HydrophobicContact CG1-CD2 3.84Å; V340-F344 HydrophobicContact CG1-CE2 3.58Å; V340-F344 WeakPolarHBondContact O-CD2 3.45Å; V340-F344 PolarHBondContact O-N 3.39Å; V340-F344 VanDerWaalsContact O-N 3.11Å; A341-F344 PolarHBondContact O-N 3.28Å; F344-C347 PolarHBondContact O-N 3.41Å; F344-I348 VanDerWaalsContact O-CG1 3.3Å; F344-I348 WeakPolarHBondContact O-CG1 3.22Å; F344-I348 PolarHBondContact O-N 3.15Å
345	L	89.5	Confident	82.9	Confident	122 Å²	122	93.7 Å²	93.7	64%	0.639	49%	0.485	S	S	*	.	H	α-helix	trans	-65.3	-38.4	176.8	-70.4	171.7	0	0	0	112.2	A341 S342 L343 I348 G349	A341-L345 WeakPolarHBondContact O-CG 3.34Å; A341-L345 PolarHBondContact O-N 3.16Å; S342-L345 PolarHBondContact O-N 2.87Å; L343-L345 PolarHBondContact O-N 3.28Å; L345-I348 PolarHBondContact O-N 3.21Å; L345-G349 PolarHBondContact O-N 2.84Å
346	I	84.8	Confident	83.1	Confident	89 Å²	89	95.4 Å²	95.4	46%	0.456	49%	0.492	S	S	.	.	H	α-helix	trans	-62.3	-46.1	173.5	-68.7	163.6	0	0	0	110.3	S342 L343 I348 G349 C350	S342-I346 WeakPolarHBondContact O-CD1 3Å; S342-I346 VanDerWaalsContact O-CG1 3.22Å; S342-I346 WeakPolarHBondContact O-CG1 3.33Å; S342-I346 PolarHBondContact O-N 3.31Å; L343-I346 PolarHBondContact O-N 2.84Å; I346-I348 VanDerWaalsContact C-N 3.35Å; I346-I348 PolarHBondContact O-N 2.82Å; I346-G349 PolarHBondContact O-N 2.93Å; I346-C350 WeakPolarHBondContact O-CB 3.36Å; I346-C350 PolarHBondContact O-N 3.12Å; I346-C350 PolarHBondContact O-SG 2.9Å
347	C	84.9	Confident	83.2	Confident	70 Å²	70	98.4 Å²	98.4	47%	0.473	51%	0.506	S	S	.	.	H	α-helix	trans	-59.6	-44	176.8	-70.2	0	0	0	0	112.1	L343 F344 C350 I351	L343-C347 PolarHBondContact O-N 2.84Å; L343-C347 PolarHBondContact O-SG 2.9Å; L343-C347 VanDerWaalsContact O-SG 3.34Å; F344-C347 PolarHBondContact O-N 3.41Å; C347-C350 PolarHBondContact O-N 3.11Å; C347-I351 WeakPolarHBondContact O-CD1 3.47Å; C347-I351 VanDerWaalsContact O-CG1 3.23Å; C347-I351 WeakPolarHBondContact O-CG1 3.36Å; C347-I351 PolarHBondContact O-N 2.84Å
348	I	88.8	Confident	83	Confident	91 Å²	91	103.8 Å²	103.8	47%	0.467	52%	0.52	S	S	.	.	H	α-helix	trans	-63.9	-45	177	-66.6	165.5	0	0	0	110.6	F344 L345 I346 C350 I351 I352	F344-I348 VanDerWaalsContact O-CG1 3.3Å; F344-I348 WeakPolarHBondContact O-CG1 3.22Å; F344-I348 PolarHBondContact O-N 3.15Å; L345-I348 PolarHBondContact O-N 3.21Å; I346-I348 VanDerWaalsContact C-N 3.35Å; I346-I348 PolarHBondContact O-N 2.82Å; I348-C350 PolarHBondContact O-N 2.9Å; I348-I351 PolarHBondContact O-N 2.88Å; I348-I352 HydrophobicContact CG2-CD1 3.72Å; I348-I352 HydrophobicContact CG2-CG1 4.38Å; I348-I352 WeakPolarHBondContact O-CG1 3.09Å; I348-I352 PolarHBondContact O-N 2.63Å
349	G	85.5	Confident	82.5	Confident	37 Å²	37	108.8 Å²	108.8	38%	0.381	53%	0.533	S	S	.	.	H	α-helix	trans	-59.4	-44	176.5	0	0	0	0	0	112.6	L345 I346 I351 I352 W353	L345-G349 PolarHBondContact O-N 2.84Å; I346-G349 PolarHBondContact O-N 2.93Å; G349-I351 PolarHBondContact O-N 3.41Å; G349-I352 PolarHBondContact O-N 2.82Å; G349-W353 VanDerWaalsContact O-CB 3.25Å; G349-W353 WeakPolarHBondContact O-CB 3.37Å; G349-W353 PolarHBondContact O-N 3.12Å
350	C	84.2	Confident	81.9	Confident	71 Å²	71	112 Å²	112	48%	0.48	54%	0.543	S	S	.	.	H	α-helix	trans	-64.2	-37.7	175.6	-70.4	0	0	0	0	112.7	I346 C347 I348 R354	I346-C350 WeakPolarHBondContact O-CB 3.36Å; I346-C350 PolarHBondContact O-N 3.12Å; I346-C350 PolarHBondContact O-SG 2.9Å; C347-C350 PolarHBondContact O-N 3.11Å; I348-C350 PolarHBondContact O-N 2.9Å; C350-R354 WeakPolarHBondContact O-CB 3.24Å; C350-R354 WeakPolarHBondContact O-CG 3.12Å; C350-R354 PolarHBondContact O-N 2.77Å
351	I	85.3	Confident	81	Confident	117 Å²	117	118.7 Å²	118.7	60%	0.6	56%	0.56	S	S	*	*	H	α-helix	trans	-66.4	-46.2	176.3	-69.2	165.1	0	0	0	110.4	C347 I348 G349 R354 W355	C347-I351 WeakPolarHBondContact O-CD1 3.47Å; C347-I351 VanDerWaalsContact O-CG1 3.23Å; C347-I351 WeakPolarHBondContact O-CG1 3.36Å; C347-I351 PolarHBondContact O-N 2.84Å; I348-I351 PolarHBondContact O-N 2.88Å; G349-I351 PolarHBondContact O-N 3.41Å; I351-R354 PolarHBondContact O-N 2.85Å; I351-W355 WeakPolarHBondContact O-CB 3.38Å; I351-W355 PolarHBondContact O-N 2.73Å
352	I	84.3	Confident	80	Confident	90 Å²	90	120.9 Å²	120.9	46%	0.462	57%	0.573	S	S	.	*	H	α-helix	trans	-64	-44	178	-65	167.8	0	0	0	110.8	I348 G349 W355 L356	I348-I352 HydrophobicContact CG2-CD1 3.72Å; I348-I352 HydrophobicContact CG2-CG1 4.38Å; I348-I352 WeakPolarHBondContact O-CG1 3.09Å; I348-I352 PolarHBondContact O-N 2.63Å; G349-I352 PolarHBondContact O-N 2.82Å; I352-W355 WeakPolarHBondContact O-CB 3.44Å; I352-W355 PolarHBondContact O-N 3.25Å; I352-L356 HydrophobicContact CG2-CD1 4.08Å; I352-L356 HydrophobicContact CG2-CG 4.45Å; I352-L356 WeakPolarHBondContact O-CG 3.19Å; I352-L356 PolarHBondContact O-N 2.87Å
353	W	82.5	Confident	78.4	Confident	184 Å²	184	125.3 Å²	125.3	70%	0.697	59%	0.593	S	S	*	*	H	α-helix	trans	-60.4	-47.5	177	-178.1	-84.5	0	0	0	111.8	G349 W355 L356 L357	G349-W353 VanDerWaalsContact O-CB 3.25Å; G349-W353 WeakPolarHBondContact O-CB 3.37Å; G349-W353 PolarHBondContact O-N 3.12Å; W353-W355 VanDerWaalsContact C-N 3.29Å; W353-W355 PolarHBondContact O-N 3.48Å; W353-L356 PolarHBondContact O-N 2.88Å; W353-L357 HydrophobicContact CD2-CD1 4.49Å; W353-L357 HydrophobicContact CG-CD1 4.2Å; W353-L357 PolarHBondContact O-N 2.83Å
354	R	80	Confident	76.8	Confident	199 Å²	199	131 Å²	131	75%	0.751	62%	0.616	S	S	*	*	H	α-helix	trans	-61.4	-37.8	174.8	-79.1	-173.3	173.9	-154.3	-0.6	111.9	C350 I351 R358	C350-R354 WeakPolarHBondContact O-CB 3.24Å; C350-R354 WeakPolarHBondContact O-CG 3.12Å; C350-R354 PolarHBondContact O-N 2.77Å; I351-R354 PolarHBondContact O-N 2.85Å; R354-R358 WeakPolarHBondContact O-CB 3.23Å; R354-R358 PolarHBondContact O-N 2.86Å
355	W	80.2	Confident	76.3	Confident	152 Å²	152	130.8 Å²	130.8	58%	0.576	62%	0.617	S	S	*	*	H	α-helix	trans	-66.5	-42.9	177.2	-170.3	77.2	0	0	0	112.3	I351 I352 W353 R358 R359	I351-W355 WeakPolarHBondContact O-CB 3.38Å; I351-W355 PolarHBondContact O-N 2.73Å; I352-W355 WeakPolarHBondContact O-CB 3.44Å; I352-W355 PolarHBondContact O-N 3.25Å; W353-W355 VanDerWaalsContact C-N 3.29Å; W353-W355 PolarHBondContact O-N 3.48Å; W355-R358 PolarHBondContact O-N 2.95Å; W355-R359 PolarHBondContact O-N 3.43Å
356	L	79.6	Confident	75.6	Confident	96 Å²	96	131.2 Å²	131.2	50%	0.503	62%	0.616	S	S	.	*	H	α-helix	trans	-64.8	-42.3	176.1	-73	171.4	0	0	0	112.5	I352 W353 R358 R359 K360	I352-L356 HydrophobicContact CG2-CD1 4.08Å; I352-L356 HydrophobicContact CG2-CG 4.45Å; I352-L356 WeakPolarHBondContact O-CG 3.19Å; I352-L356 PolarHBondContact O-N 2.87Å; W353-L356 PolarHBondContact O-N 2.88Å; L356-R358 VanDerWaalsContact C-N 3.3Å; L356-R358 PolarHBondContact O-N 2.96Å; L356-R359 PolarHBondContact O-N 3.21Å; L356-K360 PolarHBondContact O-N 3.36Å
357	L	74.6	Confident	75.1	Confident	102 Å²	102	133.6 Å²	133.6	53%	0.534	63%	0.625	S	S	.	*	H	α-helix	trans	-60.9	-39.4	173.6	-98.1	139.8	0	0	0	112.2	W353 R359 K360 R361	W353-L357 HydrophobicContact CD2-CD1 4.49Å; W353-L357 HydrophobicContact CG-CD1 4.2Å; W353-L357 PolarHBondContact O-N 2.83Å; L357-R359 VanDerWaalsContact C-N 3.34Å; L357-K360 PolarHBondContact O-N 3.37Å; L357-R361 PolarHBondContact O-N 3.15Å
358	R	74.2	Confident	74.5	Confident	208 Å²	208	137.3 Å²	137.3	79%	0.785	63%	0.634	S	S	*	*	H	α-helix	trans	-67.5	-35.9	177	-145.4	179.5	-157.4	176.6	4.7	112	R354 W355 L356 R361	R354-R358 WeakPolarHBondContact O-CB 3.23Å; R354-R358 PolarHBondContact O-N 2.86Å; W355-R358 PolarHBondContact O-N 2.95Å; L356-R358 VanDerWaalsContact C-N 3.3Å; L356-R358 PolarHBondContact O-N 2.96Å; R358-R361 PolarHBondContact O-N 3.11Å
359	R	70.4	Confident	73.6	Confident	149 Å²	149	140.2 Å²	140.2	56%	0.562	65%	0.645	S	S	*	*	H	α-helix	trans	-70.9	-37	177.6	-159.8	175	-172.9	-179.7	1.3	112.3	W355 L356 L357 R361 S362	W355-R359 PolarHBondContact O-N 3.43Å; L356-R359 PolarHBondContact O-N 3.21Å; L357-R359 VanDerWaalsContact C-N 3.34Å; R359-R361 VanDerWaalsContact C-N 3.27Å; R359-R361 PolarHBondContact O-N 3.48Å; R359-S362 PolarHBondContact O-N 3.13Å
360	K	69.4	Low	72.8	Confident	170 Å²	170	147.1 Å²	147.1	74%	0.739	66%	0.662	S	S	*	*	H	α-helix	trans	-63.3	-34.7	176.5	-149.6	179.6	-176.9	-171.4	0	111.9	L356 L357 S362	L356-K360 PolarHBondContact O-N 3.36Å; L357-K360 PolarHBondContact O-N 3.37Å; K360-S362 VanDerWaalsContact C-N 3.34Å; K360-S362 PolarHBondContact O-N 2.94Å
361	R	63.7	Low	72	Confident	210 Å²	210	152.5 Å²	152.5	79%	0.792	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-10.9	175.4	-105.4	-172.5	-164.8	175	4.3	116.2	L357 R358 R359	L357-R361 PolarHBondContact O-N 3.15Å; R358-R361 PolarHBondContact O-N 3.11Å; R359-R361 VanDerWaalsContact C-N 3.27Å; R359-R361 PolarHBondContact O-N 3.48Å
362	S	60.8	Low	71	Confident	94 Å²	94	155.2 Å²	155.2	66%	0.657	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	-8.5	177.6	-174.1	0	0	0	0	112.7	R359 K360	R359-S362 PolarHBondContact O-N 3.13Å; K360-S362 VanDerWaalsContact C-N 3.34Å; K360-S362 PolarHBondContact O-N 2.94Å
363	N	53	Low	69.9	Low	141 Å²	141	160.7 Å²	160.7	75%	0.754	70%	0.699	S	S	*	*			trans	-102.4	1.6	176.9	-78.5	3.9	0	0	0	112.4
364	E	50.4	Low	68.8	Low	223 Å²	223	158.5 Å²	158.5	100%	1.042	70%	0.7	S	S	*	*			trans	-103.8	0	155.8	-80	174.1	160.5	0	0	107.1

Retrieved 364 of 364 residues in 248.9 ms (Link to these results)

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