A0A096MUD1_PAPAN Loading...

DDB1- and CUL4-associated factor 13

Part of the small subunit (SSU) processome, first precursor of the small eukaryotic ribosomal subunit. During the assembly of the SSU processome in the nucleolus, many ribosome biogenesis factors, an RNA chaperone and ribosomal proteins associate with the nascent pre-rRNA and work in concert to generate RNA folding, modifications, rearrangements and cleavage as well as targeted degradation of pre-ribosomal RNA by the RNA exosome. Participates in the 18S rRNA processing in growing oocytes, being essential for oocyte nonsurrounded nucleolus (NSN) to surrounded nucleolus (SN) transition.

AlphaFold DB (A0A0D9RHJ1), UniProt , Accession A0A096MUD1, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 445 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	65.5	Low	83.5	Confident	223 Å²	223	143.5 Å²	143.5	100%	1.099	72%	0.719	S	S	*	*				0	116.3	0	-166.9	-174.5	-72.4	0	0	107.9	V3	M1-V3 HydrophobicContact CG-CG2 4.18Å; M1-V3 PolarHBondContact O-N 3.42Å; M1-V3 HydrophobicContact SD-CG2 4.19Å
2	K	70	Confident	83.3	Confident	215 Å²	215	139 Å²	139	94%	0.935	70%	0.698	S	S	*	*			trans	-91.5	99.8	178.2	-72.1	-176.9	-178.7	178	0	108.5
3	V	81.5	Confident	83.3	Confident	123 Å²	123	135.8 Å²	135.8	75%	0.745	67%	0.674	S	S	*	*			trans	-89.9	120.6	176.4	-176.4	0	0	0	0	108.2	M1	M1-V3 HydrophobicContact CG-CG2 4.18Å; M1-V3 PolarHBondContact O-N 3.42Å; M1-V3 HydrophobicContact SD-CG2 4.19Å
4	K	86.9	Confident	83.3	Confident	205 Å²	205	132.3 Å²	132.3	89%	0.891	66%	0.663	S	S	*	*			trans	-121.2	119.6	173.9	-171.4	175.7	-178.8	178.7	0	108.7
5	M	89.3	Confident	83.3	Confident	155 Å²	155	132.7 Å²	132.7	76%	0.764	65%	0.654	S	S	*	*			trans	-105.7	155.5	178.1	60.1	-174.5	-97.9	0	0	111.1	S7	M5-S7 PolarHBondContact O-N 3.36Å; M5-S7 VanDerWaalsContact O-N 3.17Å
6	L	90.5	Very high	83.3	Confident	138 Å²	138	133.9 Å²	133.9	72%	0.723	66%	0.658	S	S	*	*			trans	-71.7	107.5	173.9	-166.9	106.9	0	0	0	109.2	R8	L6-R8 HydrophobicContact CD2-CG 3.92Å
7	S	89.3	Confident	83.4	Confident	101 Å²	101	130.2 Å²	130.2	71%	0.706	65%	0.645	S	S	*	*			trans	-100.1	126.1	171.2	-178.1	0	0	0	0	109.6	M5	M5-S7 PolarHBondContact O-N 3.36Å; M5-S7 VanDerWaalsContact O-N 3.17Å
8	R	88.7	Confident	83.5	Confident	181 Å²	181	133.1 Å²	133.1	68%	0.683	65%	0.652	S	S	*	*			trans	-106.9	103.4	175.4	-68	-176.1	-177.4	172.2	2.1	108.5	L6 P10 Y13	L6-R8 HydrophobicContact CD2-CG 3.92Å; R8-P10 WeakPolarHBondContact O-CD 3.38Å; R8-Y13 HydrophobicContact CB-CE2 3.93Å; R8-Y13 HydrophobicContact CG-CE2 4.38Å
9	N	88.1	Confident	83.7	Confident	66 Å²	66	134.8 Å²	134.8	35%	0.353	66%	0.664	S	S	.	*			trans	-72.6	122	174.2	-174.3	-1.2	0	0	0	109.7	D11 N12 Y13	N9-D11 PolarHBondContact ND2-OD2 3.49Å; N9-D11 VanDerWaalsContact ND2-OD2 3.16Å; N9-D11 PolarHBondContact O-N 3.01Å; N9-D11 PolarHBondContact OD1-N 3.1Å; N9-D11 PolarHBondContact OD1-OD2 3.09Å; N9-N12 WeakPolarHBondContact O-CB 3.46Å; N9-N12 PolarHBondContact O-N 2.93Å; N9-N12 VanDerWaalsContact O-N 3.12Å; N9-Y13 WeakPolarHBondContact O-CD2 3.39Å; N9-Y13 WeakPolarHBondContact O-CE2 3.44Å
10	P	84.9	Confident	83.9	Confident	76 Å²	76	131.9 Å²	131.9	49%	0.494	65%	0.651	S	S	.	*	G	3₁₀ helix	trans	-53.5	-33.4	175.6	20.7	-34.2	0	0	0	113.8	R8 N12 Y13 V14	R8-P10 WeakPolarHBondContact O-CD 3.38Å; P10-N12 PolarHBondContact O-N 3.08Å; P10-Y13 PolarHBondContact O-N 3.09Å; P10-V14 HydrophobicContact CB-CG2 4.12Å; P10-V14 WeakPolarHBondContact O-CB 3.31Å; P10-V14 WeakPolarHBondContact O-CG2 3.44Å; P10-V14 PolarHBondContact O-N 2.92Å
11	D	83.6	Confident	83.9	Confident	96 Å²	96	133.4 Å²	133.4	51%	0.513	66%	0.661	S	S	.	*	G	3₁₀ helix	trans	-60.6	-23.2	-179.9	-53.7	-27.7	0	0	0	113	N9 R23	N9-D11 PolarHBondContact ND2-OD2 3.49Å; N9-D11 VanDerWaalsContact ND2-OD2 3.16Å; N9-D11 PolarHBondContact O-N 3.01Å; N9-D11 PolarHBondContact OD1-N 3.1Å; N9-D11 PolarHBondContact OD1-OD2 3.09Å; D11-R23 PolarHBondContact O-NH1 2.88Å
12	N	81.8	Confident	84.9	Confident	89 Å²	89	130.1 Å²	130.1	48%	0.476	64%	0.643	S	S	.	*	G	3₁₀ helix	trans	-78	-21.2	178.2	-68.5	-24.3	0	0	0	113	N9 P10 R23	N9-N12 WeakPolarHBondContact O-CB 3.46Å; N9-N12 PolarHBondContact O-N 2.93Å; N9-N12 VanDerWaalsContact O-N 3.12Å; P10-N12 PolarHBondContact O-N 3.08Å; N12-R23 WeakPolarHBondContact O-CD 3.42Å
13	Y	82.6	Confident	85.7	Confident	98 Å²	98	126.4 Å²	126.4	38%	0.384	62%	0.623	S	S	.	*	T	Hydrogen-bonded Turn	trans	-123.3	-26.5	-170.3	-49.6	-73.7	0	0	0	113.7	R8 N9 P10 P25	R8-Y13 HydrophobicContact CB-CE2 3.93Å; R8-Y13 HydrophobicContact CG-CE2 4.38Å; N9-Y13 WeakPolarHBondContact O-CD2 3.39Å; N9-Y13 WeakPolarHBondContact O-CE2 3.44Å; P10-Y13 PolarHBondContact O-N 3.09Å; Y13-P25 HydrophobicContact CD1-CG 4.07Å; Y13-P25 HydrophobicContact CE1-CG 4.12Å
14	V	83.6	Confident	86	Confident	86 Å²	86	125.7 Å²	125.7	52%	0.521	62%	0.619	S	S	.	*	S	Bend	trans	-90.4	141.3	179.3	-175.7	0	0	0	0	108.7	P10	P10-V14 HydrophobicContact CB-CG2 4.12Å; P10-V14 WeakPolarHBondContact O-CB 3.31Å; P10-V14 WeakPolarHBondContact O-CG2 3.44Å; P10-V14 PolarHBondContact O-N 2.92Å
15	R	83.3	Confident	86.2	Confident	138 Å²	138	120.4 Å²	120.4	52%	0.521	61%	0.606	S	S	.	*			trans	-70.3	138.3	173.8	61.8	-175.9	175.9	171.6	-4.9	110.1	T17 K18 D20	R15-T17 WeakPolarHBondContact CD-O 3.17Å; R15-T17 WeakPolarHBondContact CG-O 3.44Å; R15-K18 PolarHBondContact NH1-O 2.81Å; R15-K18 VanDerWaalsContact NH1-O 3.1Å; R15-D20 HydrophobicContact CB-CB 4.23Å
16	E	82.9	Confident	86.3	Confident	153 Å²	153	122 Å²	122	72%	0.715	60%	0.603	S	S	*	*	S	Bend	trans	-74.6	-44	176.6	-68.7	171.9	-157.6	0	0	110.4
17	T	85.3	Confident	86.5	Confident	71 Å²	71	119.8 Å²	119.8	44%	0.436	59%	0.592	S	S	.	*	S	Bend	trans	-117.3	163.7	175.5	77	0	0	0	0	112.8	R15 L19 D20	R15-T17 WeakPolarHBondContact CD-O 3.17Å; R15-T17 WeakPolarHBondContact CG-O 3.44Å; T17-L19 PolarHBondContact O-N 2.89Å; T17-D20 WeakPolarHBondContact CB-OD2 3.49Å; T17-D20 PolarHBondContact N-OD2 2.88Å; T17-D20 PolarHBondContact O-N 2.88Å; T17-D20 PolarHBondContact OG1-N 3.35Å; T17-D20 PolarHBondContact OG1-OD1 2.98Å; T17-D20 PolarHBondContact OG1-OD2 2.92Å
18	K	84.8	Confident	86.8	Confident	181 Å²	181	123.1 Å²	123.1	79%	0.787	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	-24.4	178	-69.5	-179.2	-178.2	175.3	0	113.1	R15	R15-K18 PolarHBondContact NH1-O 2.81Å; R15-K18 VanDerWaalsContact NH1-O 3.1Å
19	L	87.8	Confident	87.1	Confident	167 Å²	167	117.8 Å²	117.8	87%	0.874	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-16.6	-177.2	-64.3	174.6	0	0	0	112.7	T17	T17-L19 PolarHBondContact O-N 2.89Å
20	D	87.7	Confident	87.4	Confident	75 Å²	75	119.5 Å²	119.5	40%	0.401	59%	0.59	S	S	.	*	S	Bend	trans	-72.3	146.3	-179.9	-63.4	-38.8	0	0	0	112.6	R15 T17	R15-D20 HydrophobicContact CB-CB 4.23Å; T17-D20 WeakPolarHBondContact CB-OD2 3.49Å; T17-D20 PolarHBondContact N-OD2 2.88Å; T17-D20 PolarHBondContact O-N 2.88Å; T17-D20 PolarHBondContact OG1-N 3.35Å; T17-D20 PolarHBondContact OG1-OD1 2.98Å; T17-D20 PolarHBondContact OG1-OD2 2.92Å
21	L	84.5	Confident	87.9	Confident	164 Å²	164	121 Å²	121	86%	0.859	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-68.1	135.9	174.2	-68.8	166.6	0	0	0	110.4	R23	L21-R23 PolarHBondContact O-N 3.05Å
22	Q	86.4	Confident	88.5	Confident	155 Å²	155	121.2 Å²	121.2	72%	0.724	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-65.8	123.5	174.3	-173.3	174.9	8.3	0	0	110.3	V24	Q22-V24 PolarHBondContact O-N 3.04Å
23	R	86.7	Confident	89.1	Confident	137 Å²	137	120.9 Å²	120.9	52%	0.517	59%	0.594	S	S	.	*	P	Polyproline II helix	trans	-71.6	122.3	174.4	-63.5	179.9	-176.3	164.8	5.8	109.2	D11 N12 L21	D11-R23 PolarHBondContact O-NH1 2.88Å; N12-R23 WeakPolarHBondContact O-CD 3.42Å; L21-R23 PolarHBondContact O-N 3.05Å
24	V	88.3	Confident	89.7	Confident	107 Å²	107	119.8 Å²	119.8	65%	0.648	60%	0.599	S	S	*	*			trans	-114.8	99.2	178.5	-177.4	0	0	0	0	109	Q22	Q22-V24 PolarHBondContact O-N 3.04Å
25	P	90.1	Very high	90.2	Very high	95 Å²	95	122.9 Å²	122.9	62%	0.617	61%	0.606	S	S	*	*			trans	-67.4	138.5	174.6	28.9	-34.1	0	0	0	110	Y13	Y13-P25 HydrophobicContact CD1-CG 4.07Å; Y13-P25 HydrophobicContact CE1-CG 4.12Å
26	R	92.1	Very high	90.7	Very high	187 Å²	187	122.1 Å²	122.1	71%	0.706	61%	0.608	S	S	*	*			trans	-122.2	129.9	-180	-57.8	-179.6	81.6	175.9	3.3	109.3	Y28	R26-Y28 HydrophobicContact CB-CE2 4.25Å
27	N	94.9	Very high	91.3	Very high	93 Å²	93	118.6 Å²	118.6	50%	0.497	60%	0.596	S	S	.	*			trans	-112.7	130	167.3	-173.3	-7.5	0	0	0	107.9	D29 L32 H33	N27-D29 PolarHBondContact OD1-N 3.1Å; N27-D29 VanDerWaalsContact OD1-N 3.12Å; N27-L32 HydrophobicContact CB-CD1 3.78Å; N27-L32 WeakPolarHBondContact ND2-CD1 3.31Å; N27-H33 PolarHBondContact O-NE2 3.42Å
28	Y	94.6	Very high	91.9	Very high	171 Å²	171	118.4 Å²	118.4	67%	0.671	60%	0.596	S	S	*	*			trans	-98.6	6.9	-175	-62.8	-77	0	0	0	113.6	R26 P30	R26-Y28 HydrophobicContact CB-CE2 4.25Å; Y28-P30 WeakPolarHBondContact O-CD 3.18Å
29	D	95.6	Very high	92.4	Very high	69 Å²	69	114.2 Å²	114.2	37%	0.369	58%	0.576	S	S	.	*			trans	-56.5	121.7	175.7	-168.6	-27.9	0	0	0	111.2	N27 T31 L32 H33	N27-D29 PolarHBondContact OD1-N 3.1Å; N27-D29 VanDerWaalsContact OD1-N 3.12Å; D29-T31 PolarHBondContact O-N 3.28Å; D29-T31 VanDerWaalsContact O-N 3.13Å; D29-T31 WeakPolarHBondContact OD1-CB 3.37Å; D29-T31 WeakPolarHBondContact OD1-CG2 3.26Å; D29-T31 PolarHBondContact OD1-N 3.41Å; D29-T31 PolarHBondContact OD1-OG1 2.67Å; D29-T31 PolarHBondContact OD2-OG1 3.33Å; D29-L32 HydrophobicContact CB-CD1 4.26Å; D29-L32 HydrophobicContact CB-CG 4.36Å; D29-L32 PolarHBondContact O-N 3.02Å; D29-L32 VanDerWaalsContact O-N 3.09Å; D29-H33 PolarHBondContact O-CD2 2.74Å
30	P	94.7	Very high	92.9	Very high	101 Å²	101	107.6 Å²	107.6	66%	0.656	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-56.3	-27.8	179.7	-26.5	35.2	0	0	0	113.9	Y28 L32 H33	Y28-P30 WeakPolarHBondContact O-CD 3.18Å; P30-L32 VanDerWaalsContact C-N 3.27Å; P30-L32 PolarHBondContact O-N 3.01Å; P30-H33 CarbonylContact O-C 3.55Å; P30-H33 VanDerWaalsContact O-C 3.25Å; P30-H33 PolarHBondContact O-N 3.22Å
31	T	95.6	Very high	93.4	Very high	108 Å²	108	106.6 Å²	106.6	66%	0.663	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-63.5	-33.3	178.6	60.7	0	0	0	0	112.5	D29 H33	D29-T31 PolarHBondContact O-N 3.28Å; D29-T31 VanDerWaalsContact O-N 3.13Å; D29-T31 WeakPolarHBondContact OD1-CB 3.37Å; D29-T31 WeakPolarHBondContact OD1-CG2 3.26Å; D29-T31 PolarHBondContact OD1-N 3.41Å; D29-T31 PolarHBondContact OD1-OG1 2.67Å; D29-T31 PolarHBondContact OD2-OG1 3.33Å; T31-H33 VanDerWaalsContact C-N 3.27Å; T31-H33 PolarHBondContact O-N 3.2Å
32	L	95.2	Very high	94	Very high	100 Å²	100	102.3 Å²	102.3	52%	0.524	51%	0.512	S	S	.	.	G	3₁₀ helix	trans	-78.3	-14	176	-63.7	176.2	0	0	0	112.7	N27 D29 P30 P34	N27-L32 HydrophobicContact CB-CD1 3.78Å; N27-L32 WeakPolarHBondContact ND2-CD1 3.31Å; D29-L32 HydrophobicContact CB-CD1 4.26Å; D29-L32 HydrophobicContact CB-CG 4.36Å; D29-L32 PolarHBondContact O-N 3.02Å; D29-L32 VanDerWaalsContact O-N 3.09Å; P30-L32 VanDerWaalsContact C-N 3.27Å; P30-L32 PolarHBondContact O-N 3.01Å; L32-P34 WeakPolarHBondContact O-CD 3.25Å
33	H	94.2	Very high	94.5	Very high	83 Å²	83	100.5 Å²	100.5	38%	0.384	50%	0.498	S	S	.	.	S	Bend	trans	-122.8	62.6	-176.2	-63.3	-67	0	0	0	111.2	N27 D29 P30 T31 R39	N27-H33 PolarHBondContact O-NE2 3.42Å; D29-H33 PolarHBondContact O-CD2 2.74Å; P30-H33 CarbonylContact O-C 3.55Å; P30-H33 VanDerWaalsContact O-C 3.25Å; P30-H33 PolarHBondContact O-N 3.22Å; T31-H33 VanDerWaalsContact C-N 3.27Å; T31-H33 PolarHBondContact O-N 3.2Å; H33-R39 PolarHBondContact O-NH2 2.81Å
34	P	94.7	Very high	95.1	Very high	75 Å²	75	94 Å²	94	49%	0.487	47%	0.474	S	S	.	.			trans	-64.6	161.1	178	29.6	-36.2	0	0	0	112	L32 R39	L32-P34 WeakPolarHBondContact O-CD 3.25Å; P34-R39 PolarHBondContact O-NE 2.84Å; P34-R39 PolarHBondContact O-NH2 3.22Å
35	F	95.3	Very high	95.5	Very high	151 Å²	151	90.1 Å²	90.1	66%	0.662	45%	0.449	S	S	*	.			trans	58.6	47.8	179.9	-50.1	-75.7	0	0	0	114.3	P38 R39	F35-P38 HydrophobicContact CB-CB 4.35Å; F35-P38 HydrophobicContact CB-CG 4.19Å; F35-P38 HydrophobicContact CD1-CG 4.31Å; F35-R39 VanDerWaalsContact O-CB 3.27Å; F35-R39 WeakPolarHBondContact O-CB 3.5Å; F35-R39 VanDerWaalsContact O-CG 3.23Å; F35-R39 WeakPolarHBondContact O-CG 3.29Å; F35-R39 PolarHBondContact O-N 3.16Å; F35-R39 VanDerWaalsContact O-N 3.12Å; F35-R39 PolarHBondContact O-NE 2.84Å
36	E	94.1	Very high	95.9	Very high	122 Å²	122	89.4 Å²	89.4	57%	0.57	44%	0.44	S	S	*	.	H	α-helix	trans	-55.1	-57.9	174.1	-175.2	-178.7	-177.4	0	0	111.5	R39 E40	E36-R39 PolarHBondContact O-N 2.82Å; E36-E40 WeakPolarHBondContact O-CG 3.25Å; E36-E40 PolarHBondContact O-N 3.28Å
37	V	95.4	Very high	96.1	Very high	78 Å²	78	80.9 Å²	80.9	47%	0.473	41%	0.41	S	S	.	.	H	α-helix	trans	-63.1	-46.8	-175.5	-179	0	0	0	0	113	R39 E40 Y41 F381	V37-R39 PolarHBondContact O-N 3.48Å; V37-E40 PolarHBondContact O-N 3.13Å; V37-Y41 WeakPolarHBondContact O-CB 3.23Å; V37-Y41 PolarHBondContact O-N 2.92Å; V37-F381 HydrophobicContact CG1-CE1 4.27Å; V37-F381 HydrophobicContact CG1-CZ 4.28Å
38	P	96.9	Very high	96.2	Very high	67 Å²	67	76.5 Å²	76.5	44%	0.435	39%	0.387	S	S	.	.	H	α-helix	trans	-62.1	-38.7	175.8	-25.7	36.3	0	0	0	113.4	F35 Y41 V42	F35-P38 HydrophobicContact CB-CB 4.35Å; F35-P38 HydrophobicContact CB-CG 4.19Å; F35-P38 HydrophobicContact CD1-CG 4.31Å; P38-Y41 PolarHBondContact O-N 2.83Å; P38-V42 WeakPolarHBondContact O-CG2 2.99Å; P38-V42 PolarHBondContact O-N 2.81Å
39	R	96.6	Very high	96.3	Very high	94 Å²	94	73 Å²	73	36%	0.355	38%	0.375	S	S	.	.	H	α-helix	trans	-64.9	-43	176.5	-76.1	-177	-67.1	164.4	4.6	111.3	H33 P34 F35 E36 V37 V42 R43	H33-R39 PolarHBondContact O-NH2 2.81Å; P34-R39 PolarHBondContact O-NE 2.84Å; P34-R39 PolarHBondContact O-NH2 3.22Å; F35-R39 VanDerWaalsContact O-CB 3.27Å; F35-R39 WeakPolarHBondContact O-CB 3.5Å; F35-R39 VanDerWaalsContact O-CG 3.23Å; F35-R39 WeakPolarHBondContact O-CG 3.29Å; F35-R39 PolarHBondContact O-N 3.16Å; F35-R39 VanDerWaalsContact O-N 3.12Å; F35-R39 PolarHBondContact O-NE 2.84Å; E36-R39 PolarHBondContact O-N 2.82Å; V37-R39 PolarHBondContact O-N 3.48Å; R39-V42 PolarHBondContact O-N 2.95Å; R39-R43 VanDerWaalsContact O-CG 3.27Å; R39-R43 WeakPolarHBondContact O-CG 3.26Å; R39-R43 PolarHBondContact O-N 3.33Å
40	E	96.8	Very high	96.3	Very high	28 Å²	28	74.1 Å²	74.1	13%	0.131	38%	0.38	C	S	.	.	H	α-helix	trans	-61.4	-45.7	173.7	-73.7	-166.2	152.8	0	0	112.1	E36 V37 V42 R43 A44 L377 K380 F381	E36-E40 WeakPolarHBondContact O-CG 3.25Å; E36-E40 PolarHBondContact O-N 3.28Å; V37-E40 PolarHBondContact O-N 3.13Å; E40-V42 VanDerWaalsContact C-N 3.35Å; E40-V42 PolarHBondContact O-N 3.03Å; E40-R43 WeakPolarHBondContact O-CB 3.09Å; E40-R43 PolarHBondContact O-N 3.24Å; E40-R43 VanDerWaalsContact O-N 3.14Å; E40-A44 PolarHBondContact O-N 2.71Å; E40-L377 HydrophobicContact CB-CD2 3.65Å; E40-L377 HydrophobicContact CG-CD2 4.07Å; E40-L377 WeakPolarHBondContact O-CD2 3.25Å; E40-K380 IonicContact OE1-NZ 3.54Å; E40-K380 IonicContact OE2-NZ 3.03Å; E40-K380 PolarHBondContact OE2-NZ 3.33Å; E40-F381 HydrophobicContact CB-CE2 3.76Å; E40-F381 HydrophobicContact CB-CZ 3.95Å
41	Y	97.8	Very high	96.3	Very high	53 Å²	53	71.4 Å²	71.4	21%	0.208	36%	0.359	C	S	.	.	H	α-helix	trans	-58.4	-45.6	177.3	173.7	-100.4	0	0	0	112	V37 P38 R43 A44 L45 F381 Y384 I387	V37-Y41 WeakPolarHBondContact O-CB 3.23Å; V37-Y41 PolarHBondContact O-N 2.92Å; P38-Y41 PolarHBondContact O-N 2.83Å; Y41-R43 VanDerWaalsContact C-N 3.33Å; Y41-R43 PolarHBondContact O-N 2.86Å; Y41-A44 PolarHBondContact O-N 3.37Å; Y41-L45 WeakPolarHBondContact O-CB 3.48Å; Y41-L45 PolarHBondContact O-N 2.91Å; Y41-F381 AromaticContact CD2-CD1 3.94Å; Y41-F381 HydrophobicContact CD2-CD1 3.94Å; Y41-F381 HydrophobicContact CD2-CE1 4.41Å; Y41-F381 HydrophobicContact CD2-CG 4.43Å; Y41-Y384 HydrophobicContact CD2-CD1 4.14Å; Y41-Y384 HydrophobicContact CD2-CE1 4.49Å; Y41-Y384 HydrophobicContact CD2-CG 4.36Å; Y41-Y384 AromaticContact CE2-CD1 3.71Å; Y41-Y384 HydrophobicContact CE2-CD1 3.71Å; Y41-Y384 HydrophobicContact CE2-CE1 4.44Å; Y41-Y384 AromaticContact CE2-CG 3.94Å; Y41-Y384 HydrophobicContact CE2-CG 3.94Å; Y41-I387 HydrophobicContact CD2-CD1 3.94Å; Y41-I387 HydrophobicContact CE2-CD1 3.67Å; Y41-I387 HydrophobicContact CE2-CG1 4.34Å
42	V	97.6	Very high	96.2	Very high	74 Å²	74	69 Å²	69	45%	0.448	34%	0.338	S	S	.	.	H	α-helix	trans	-63.5	-39.4	176.6	173	0	0	0	0	111.2	P38 R39 E40 L45 N46	P38-V42 WeakPolarHBondContact O-CG2 2.99Å; P38-V42 PolarHBondContact O-N 2.81Å; R39-V42 PolarHBondContact O-N 2.95Å; E40-V42 VanDerWaalsContact C-N 3.35Å; E40-V42 PolarHBondContact O-N 3.03Å; V42-L45 PolarHBondContact O-N 2.84Å; V42-N46 WeakPolarHBondContact O-CB 3.37Å; V42-N46 VanDerWaalsContact O-CG 3.23Å; V42-N46 PolarHBondContact O-N 3.44Å; V42-N46 PolarHBondContact O-ND2 3.23Å
43	R	97.7	Very high	96.2	Very high	117 Å²	117	69 Å²	69	44%	0.442	34%	0.342	S	S	.	.	H	α-helix	trans	-62.6	-45.2	174	-72.7	171.1	-180	179.9	3.4	111.8	R39 E40 Y41 N46 A47 Y373 L377	R39-R43 VanDerWaalsContact O-CG 3.27Å; R39-R43 WeakPolarHBondContact O-CG 3.26Å; R39-R43 PolarHBondContact O-N 3.33Å; E40-R43 WeakPolarHBondContact O-CB 3.09Å; E40-R43 PolarHBondContact O-N 3.24Å; E40-R43 VanDerWaalsContact O-N 3.14Å; Y41-R43 VanDerWaalsContact C-N 3.33Å; Y41-R43 PolarHBondContact O-N 2.86Å; R43-N46 PolarHBondContact O-N 2.85Å; R43-A47 VanDerWaalsContact O-CB 3.31Å; R43-A47 WeakPolarHBondContact O-CB 3.47Å; R43-A47 PolarHBondContact O-N 3.1Å; R43-Y373 PolarHBondContact NH1-OH 3.43Å; R43-L377 HydrophobicContact CB-CD1 4.02Å
44	A	97.9	Very high	96.3	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-61.5	-44.4	176	0	0	0	0	0	111.2	E40 Y41 A47 T48 L377 F381 I387	E40-A44 PolarHBondContact O-N 2.71Å; Y41-A44 PolarHBondContact O-N 3.37Å; A44-A47 PolarHBondContact O-N 3.01Å; A44-T48 WeakPolarHBondContact O-CG2 3.44Å; A44-T48 PolarHBondContact O-N 3.47Å; A44-L377 HydrophobicContact CB-CB 4.05Å; A44-L377 HydrophobicContact CB-CD2 4.31Å; A44-F381 HydrophobicContact CB-CB 4.08Å; A44-F381 HydrophobicContact CB-CD2 3.83Å; A44-F381 HydrophobicContact CB-CG 4.23Å; A44-I387 HydrophobicContact CB-CD1 3.91Å
45	L	97.9	Very high	96.3	Very high	27 Å²	27	68.5 Å²	68.5	14%	0.141	34%	0.336	C	S	.	.	H	α-helix	trans	-61.1	-47	176.3	-177.1	65.5	0	0	0	111.4	Y41 V42 A47 T48 K49 H386 I387 I390	Y41-L45 WeakPolarHBondContact O-CB 3.48Å; Y41-L45 PolarHBondContact O-N 2.91Å; V42-L45 PolarHBondContact O-N 2.84Å; L45-A47 PolarHBondContact O-N 2.56Å; L45-T48 PolarHBondContact O-N 3.08Å; L45-T48 PolarHBondContact O-OG1 2.83Å; L45-K49 WeakPolarHBondContact O-CG 3.48Å; L45-K49 PolarHBondContact O-N 3.4Å; L45-H386 HydrophobicContact CD1-CB 4.35Å; L45-I387 HydrophobicContact CB-CG1 4.33Å; L45-I387 HydrophobicContact CD1-CG1 3.97Å; L45-I390 HydrophobicContact CD1-CD1 3.71Å
46	N	97.6	Very high	96.3	Very high	79 Å²	79	68.5 Å²	68.5	42%	0.422	34%	0.335	S	S	.	.	H	α-helix	trans	-63.5	-41.9	176.9	-71.6	-14.6	0	0	0	111.5	V42 R43 T48 K49 L50	V42-N46 WeakPolarHBondContact O-CB 3.37Å; V42-N46 VanDerWaalsContact O-CG 3.23Å; V42-N46 PolarHBondContact O-N 3.44Å; V42-N46 PolarHBondContact O-ND2 3.23Å; R43-N46 PolarHBondContact O-N 2.85Å; N46-T48 VanDerWaalsContact C-N 3.33Å; N46-T48 PolarHBondContact O-N 2.97Å; N46-K49 PolarHBondContact O-N 3.41Å; N46-L50 WeakPolarHBondContact O-CB 3.38Å; N46-L50 VanDerWaalsContact O-CG 3.29Å; N46-L50 WeakPolarHBondContact O-CG 3.5Å; N46-L50 PolarHBondContact O-N 2.98Å
47	A	97.1	Very high	96.4	Very high	8 Å²	8	64 Å²	64	7%	0.066	32%	0.316	C	S	.	.	H	α-helix	trans	-60	-41.6	175.3	0	0	0	0	0	112.1	R43 A44 L45 L50 E51 N374 K378	R43-A47 VanDerWaalsContact O-CB 3.31Å; R43-A47 WeakPolarHBondContact O-CB 3.47Å; R43-A47 PolarHBondContact O-N 3.1Å; A44-A47 PolarHBondContact O-N 3.01Å; L45-A47 PolarHBondContact O-N 2.56Å; A47-L50 PolarHBondContact O-N 3.07Å; A47-E51 WeakPolarHBondContact O-CB 3.22Å; A47-E51 PolarHBondContact O-N 3.44Å; A47-N374 HydrophobicContact CB-CB 3.91Å; A47-K378 HydrophobicContact CB-CD 4.4Å; A47-K378 HydrophobicContact CB-CG 4.31Å
48	T	96.8	Very high	96.5	Very high	2 Å²	2	64.8 Å²	64.8	1%	0.012	31%	0.314	C	S	.	.	H	α-helix	trans	-66	-40.6	177.1	64.2	0	0	0	0	111.8	A44 L45 N46 R52 K378 I387	A44-T48 WeakPolarHBondContact O-CG2 3.44Å; A44-T48 PolarHBondContact O-N 3.47Å; L45-T48 PolarHBondContact O-N 3.08Å; L45-T48 PolarHBondContact O-OG1 2.83Å; N46-T48 VanDerWaalsContact C-N 3.33Å; N46-T48 PolarHBondContact O-N 2.97Å; T48-R52 WeakPolarHBondContact O-CG 3.32Å; T48-R52 PolarHBondContact O-N 2.85Å; T48-R52 VanDerWaalsContact O-N 3.16Å; T48-K378 HydrophobicContact CG2-CD 3.82Å; T48-K378 HydrophobicContact CG2-CG 3.76Å; T48-I387 HydrophobicContact CG2-CB 4.48Å; T48-I387 HydrophobicContact CG2-CG1 4.41Å; T48-I387 HydrophobicContact CG2-CG2 3.69Å
49	K	96.7	Very high	96.3	Very high	97 Å²	97	63.5 Å²	63.5	42%	0.422	30%	0.303	S	S	.	.	H	α-helix	trans	-64.7	-48.6	175.7	-70.9	175.2	179.1	179	0	111.1	L45 N46 E51 R52 V53 I390	L45-K49 WeakPolarHBondContact O-CG 3.48Å; L45-K49 PolarHBondContact O-N 3.4Å; N46-K49 PolarHBondContact O-N 3.41Å; K49-E51 VanDerWaalsContact C-N 3.31Å; K49-E51 PolarHBondContact O-N 3.21Å; K49-R52 WeakPolarHBondContact O-CA 3.44Å; K49-R52 WeakPolarHBondContact O-CB 3.48Å; K49-R52 PolarHBondContact O-N 3.42Å; K49-V53 WeakPolarHBondContact O-CG2 3.48Å; K49-V53 PolarHBondContact O-N 2.89Å; K49-I390 HydrophobicContact CG-CD1 4.14Å; K49-I390 HydrophobicContact CG-CG2 4.46Å
50	L	95.6	Very high	96.1	Very high	93 Å²	93	59.4 Å²	59.4	49%	0.487	29%	0.289	S	S	.	.	H	α-helix	trans	-60.2	-41.8	178.3	-71	175.3	0	0	0	111.5	N46 A47 R52 V53 F54	N46-L50 WeakPolarHBondContact O-CB 3.38Å; N46-L50 VanDerWaalsContact O-CG 3.29Å; N46-L50 WeakPolarHBondContact O-CG 3.5Å; N46-L50 PolarHBondContact O-N 2.98Å; A47-L50 PolarHBondContact O-N 3.07Å; L50-R52 VanDerWaalsContact C-N 3.26Å; L50-R52 PolarHBondContact O-N 3.45Å; L50-V53 PolarHBondContact O-N 3.24Å; L50-F54 HydrophobicContact CB-CD2 4.25Å; L50-F54 HydrophobicContact CB-CE2 4.34Å; L50-F54 HydrophobicContact CD2-CE2 4.01Å; L50-F54 WeakPolarHBondContact O-CB 3.39Å; L50-F54 WeakPolarHBondContact O-CD2 3.36Å; L50-F54 PolarHBondContact O-N 3.13Å
51	E	94.6	Very high	96	Very high	44 Å²	44	60.4 Å²	60.4	21%	0.206	30%	0.299	C	S	.	.	H	α-helix	trans	-58.2	-38.6	173.7	171.8	171.6	-127.4	0	0	112.3	A47 K49 A55 K378	A47-E51 WeakPolarHBondContact O-CB 3.22Å; A47-E51 PolarHBondContact O-N 3.44Å; K49-E51 VanDerWaalsContact C-N 3.31Å; K49-E51 PolarHBondContact O-N 3.21Å; E51-A55 WeakPolarHBondContact O-CB 3.14Å; E51-A55 PolarHBondContact O-N 2.97Å; E51-K378 IonicContact OE1-NZ 2.8Å; E51-K378 PolarHBondContact OE1-NZ 2.91Å; E51-K378 IonicContact OE2-NZ 3.87Å; E51-K378 PolarHBondContact OE2-NZ 3.02Å
52	R	94.6	Very high	95.7	Very high	57 Å²	57	58.1 Å²	58.1	22%	0.215	29%	0.291	C	S	.	.	H	α-helix	trans	-68.3	-41.6	174.8	-66.2	-58.1	111.8	149.1	5.2	112.5	T48 K49 L50 F54 A55 I390 A391 H393 R394	T48-R52 WeakPolarHBondContact O-CG 3.32Å; T48-R52 PolarHBondContact O-N 2.85Å; T48-R52 VanDerWaalsContact O-N 3.16Å; K49-R52 WeakPolarHBondContact O-CA 3.44Å; K49-R52 WeakPolarHBondContact O-CB 3.48Å; K49-R52 PolarHBondContact O-N 3.42Å; L50-R52 VanDerWaalsContact C-N 3.26Å; L50-R52 PolarHBondContact O-N 3.45Å; R52-F54 VanDerWaalsContact C-N 3.34Å; R52-A55 WeakPolarHBondContact O-CB 3.12Å; R52-A55 PolarHBondContact O-N 3.24Å; R52-I390 HydrophobicContact CG-CG2 3.79Å; R52-A391 VanDerWaalsContact CZ-O 3.22Å; R52-A391 PolarHBondContact NH1-O 3.38Å; R52-A391 PolarHBondContact NH2-O 3.11Å; R52-H393 PolarHBondContact NH1-O 3.33Å; R52-R394 VanDerWaalsContact CZ-CZ 3.42Å; R52-R394 VanDerWaalsContact CZ-NH2 3.31Å; R52-R394 VanDerWaalsContact NH1-NE 3.19Å; R52-R394 VanDerWaalsContact NH1-NH1 3.18Å; R52-R394 VanDerWaalsContact NH1-NH2 3.11Å
53	V	95	Very high	95.3	Very high	100 Å²	100	60 Å²	60	61%	0.606	30%	0.298	S	S	*	.	H	α-helix	trans	-65.6	-39.8	178.8	176.8	0	0	0	0	111.2	K49 L50 A55	K49-V53 WeakPolarHBondContact O-CG2 3.48Å; K49-V53 PolarHBondContact O-N 2.89Å; L50-V53 PolarHBondContact O-N 3.24Å; V53-A55 VanDerWaalsContact C-N 3.35Å
54	F	95.5	Very high	94.6	Very high	123 Å²	123	55.7 Å²	55.7	54%	0.539	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-0.1	-179.8	-66.7	-60.2	0	0	0	114	L50 R52 K56 S357	L50-F54 HydrophobicContact CB-CD2 4.25Å; L50-F54 HydrophobicContact CB-CE2 4.34Å; L50-F54 HydrophobicContact CD2-CE2 4.01Å; L50-F54 WeakPolarHBondContact O-CB 3.39Å; L50-F54 WeakPolarHBondContact O-CD2 3.36Å; L50-F54 PolarHBondContact O-N 3.13Å; R52-F54 VanDerWaalsContact C-N 3.34Å; F54-K56 VanDerWaalsContact C-N 3.3Å; F54-K56 PolarHBondContact O-N 3.41Å; F54-S357 WeakPolarHBondContact O-CA 3.25Å
55	A	95.1	Very high	94.3	Very high	25 Å²	25	56 Å²	56	21%	0.207	29%	0.291	C	S	.	.			trans	-68.3	86.7	176.2	0	0	0	0	0	110.6	E51 R52 V53 P57 A356	E51-A55 WeakPolarHBondContact O-CB 3.14Å; E51-A55 PolarHBondContact O-N 2.97Å; R52-A55 WeakPolarHBondContact O-CB 3.12Å; R52-A55 PolarHBondContact O-N 3.24Å; V53-A55 VanDerWaalsContact C-N 3.35Å; A55-P57 WeakPolarHBondContact O-CD 3.43Å; A55-A356 HydrophobicContact CB-CB 3.89Å
56	K	95.2	Very high	94	Very high	151 Å²	151	63.6 Å²	63.6	66%	0.657	32%	0.318	S	S	*	.			trans	-123.3	82.7	178.4	-65.6	-178.2	-178.9	-178.2	0	108	F54 A356	F54-K56 VanDerWaalsContact C-N 3.3Å; F54-K56 PolarHBondContact O-N 3.41Å; K56-A356 CarbonylContact C-O 3.57Å; K56-A356 PolarHBondContact N-O 3.05Å
57	P	96.3	Very high	93.9	Very high	26 Å²	26	62.8 Å²	62.8	17%	0.169	31%	0.314	C	S	.	.			trans	-80.1	-32	-169.2	30.1	-35	0	0	0	113.9	A55 L59 Y320 W352 K353 A356	A55-P57 WeakPolarHBondContact O-CD 3.43Å; P57-L59 PolarHBondContact O-N 3.48Å; P57-Y320 HydrophobicContact CB-CD1 3.8Å; P57-Y320 HydrophobicContact CB-CD2 4.42Å; P57-Y320 HydrophobicContact CB-CE1 3.25Å; P57-Y320 HydrophobicContact CB-CE2 3.93Å; P57-Y320 HydrophobicContact CB-CG 4.36Å; P57-Y320 WeakPolarHBondContact CB-OH 3.22Å; P57-Y320 HydrophobicContact CG-CD1 3.68Å; P57-Y320 HydrophobicContact CG-CE1 3.51Å; P57-Y320 HydrophobicContact CG-CG 4.43Å; P57-W352 HydrophobicContact CB-CE3 4.07Å; P57-W352 HydrophobicContact CG-CE3 4.17Å; P57-W352 HydrophobicContact CG-CZ3 4.19Å; P57-W352 CarbonylContact O-C 3.58Å; P57-W352 WeakPolarHBondContact O-CA 3.31Å; P57-K353 PolarHBondContact O-N 3.18Å; P57-A356 HydrophobicContact CB-CB 3.79Å; P57-A356 HydrophobicContact CG-CB 4.27Å
58	F	96.3	Very high	93.7	Very high	96 Å²	96	62.4 Å²	62.4	42%	0.421	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	127.7	-178.5	-179.3	-108.7	0	0	0	110.7	A60 R350 W352	F58-A60 WeakPolarHBondContact CE2-O 3.07Å; F58-R350 HydrophobicContact CE2-CB 4.13Å; F58-R350 HydrophobicContact CE2-CG 3.92Å; F58-W352 HydrophobicContact CB-CE3 3.88Å; F58-W352 HydrophobicContact CB-CH2 4.35Å; F58-W352 HydrophobicContact CB-CZ3 3.66Å; F58-W352 HydrophobicContact CD2-CD2 4.38Å; F58-W352 HydrophobicContact CD2-CE3 4.26Å; F58-W352 HydrophobicContact CD2-CH2 4.14Å; F58-W352 HydrophobicContact CD2-CZ2 4.2Å; F58-W352 HydrophobicContact CD2-CZ3 4.15Å; F58-W352 HydrophobicContact CG-CZ3 4.38Å
59	L	93.8	Very high	93.6	Very high	39 Å²	39	62.3 Å²	62.3	20%	0.204	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	-51	-179.4	-170.7	62.2	0	0	0	112.5	P57 Y339 L351 L360	P57-L59 PolarHBondContact O-N 3.48Å; L59-Y339 HydrophobicContact CD2-CD1 4.05Å; L59-Y339 HydrophobicContact CD2-CE1 3.69Å; L59-L351 HydrophobicContact CB-CD2 4.37Å; L59-L351 HydrophobicContact CB-CG 4.47Å; L59-L351 WeakPolarHBondContact CB-O 3.27Å; L59-L351 HydrophobicContact CD2-CD2 3.48Å; L59-L351 VanDerWaalsContact CD2-CD2 3.48Å; L59-L351 HydrophobicContact CD2-CG 4.26Å; L59-L351 HydrophobicContact CG-CD2 4.26Å; L59-L351 PolarHBondContact N-O 3.19Å; L59-L360 HydrophobicContact CD1-CD1 3.74Å
60	A	93.2	Very high	93.5	Very high	9 Å²	9	59.6 Å²	59.6	7%	0.074	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	159.7	-175.6	0	0	0	0	0	112.1	F58 L351	F58-A60 WeakPolarHBondContact CE2-O 3.07Å; A60-L351 PolarHBondContact N-O 2.7Å; A60-L351 PolarHBondContact O-N 3.22Å
61	S	93.4	Very high	93.4	Very high	48 Å²	48	55.9 Å²	55.9	34%	0.336	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	135.6	162.6	-152.2	0	0	0	0	107.7	N348 I349	S61-N348 PolarHBondContact OG-OD1 3.26Å; S61-N348 VanDerWaalsContact OG-OD1 3.09Å; S61-I349 CarbonylContact C-O 3.58Å; S61-I349 WeakPolarHBondContact CA-O 2.93Å
62	L	92.8	Very high	93.5	Very high	6 Å²	6	54.3 Å²	54.3	3%	0.031	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	106.7	166.4	-55.6	171.2	0	0	0	105.7	W94 L96 R99 I349	L62-W94 HydrophobicContact CB-CD2 4.19Å; L62-W94 HydrophobicContact CB-CE3 3.83Å; L62-W94 HydrophobicContact CB-CH2 4.14Å; L62-W94 HydrophobicContact CB-CZ2 4.48Å; L62-W94 HydrophobicContact CB-CZ3 3.8Å; L62-W94 HydrophobicContact CD1-CB 4.23Å; L62-W94 HydrophobicContact CD1-CD2 4.13Å; L62-W94 HydrophobicContact CD1-CE3 4.2Å; L62-W94 HydrophobicContact CD1-CG 4.14Å; L62-W94 HydrophobicContact CD2-CE3 4.12Å; L62-W94 HydrophobicContact CG-CE3 4.27Å; L62-L96 HydrophobicContact CD1-CD2 4.07Å; L62-R99 HydrophobicContact CD2-CB 3.81Å; L62-R99 WeakPolarHBondContact CD2-O 3.02Å; L62-I349 HydrophobicContact CB-CB 4.2Å; L62-I349 HydrophobicContact CD1-CB 4.45Å; L62-I349 HydrophobicContact CD1-CG2 4.3Å; L62-I349 PolarHBondContact N-O 3.42Å; L62-I349 PolarHBondContact O-N 3.43Å; L62-I349 VanDerWaalsContact O-N 3.17Å
63	D	88.8	Confident	93.5	Very high	113 Å²	113	52 Å²	52	60%	0.604	27%	0.268	S	S	*	.			trans	-102.7	143.3	-176.1	-166.3	7.1	0	0	0	109.8	W94 N348	D63-W94 WeakPolarHBondContact O-CH2 3.36Å; D63-N348 WeakPolarHBondContact CB-OD1 3.27Å; D63-N348 PolarHBondContact OD1-OD1 3.03Å
64	G	82.4	Confident	93.5	Very high	26 Å²	26	49.4 Å²	49.4	27%	0.268	25%	0.248	S	C	.	.			trans	157.8	-25.5	171.1	0	0	0	0	0	116.2	R92	G64-R92 PolarHBondContact O-NH1 2.97Å; G64-R92 PolarHBondContact O-NH2 2.9Å
65	H	92.2	Very high	93.4	Very high	7 Å²	7	44.7 Å²	44.7	3%	0.032	23%	0.228	C	C	.	.			trans	-63.4	148.9	176.2	-73.6	-70.2	0	0	0	111	D67 V69 S84 A86 M347	H65-D67 WeakPolarHBondContact CB-O 3.38Å; H65-V69 HydrophobicContact CB-CG2 4.43Å; H65-V69 VanDerWaalsContact CD2-CG2 3.48Å; H65-V69 WeakPolarHBondContact CD2-CG2 3.36Å; H65-S84 PolarHBondContact CE1-OG 2.91Å; H65-S84 WeakPolarHBondContact NE2-CB 3.49Å; H65-S84 PolarHBondContact NE2-OG 3.4Å; H65-A86 HydrophobicContact CB-CB 4.22Å; H65-A86 WeakPolarHBondContact ND1-CB 3.19Å; H65-M347 HydrophobicContact CB-CB 4.28Å; H65-M347 WeakPolarHBondContact CB-O 3.35Å; H65-M347 WeakPolarHBondContact O-CB 3.38Å
66	R	91.8	Very high	93.1	Very high	187 Å²	187	45.7 Å²	45.7	71%	0.706	23%	0.232	S	C	*	.	S	Bend	trans	-90.5	-22.5	178.4	-57.8	175.4	174.7	178.3	1.9	112.3	D88 E90 M347	R66-D88 WeakPolarHBondContact CB-OD2 3.48Å; R66-E90 IonicContact CZ-OE1 3.74Å; R66-E90 IonicContact NE-OE1 3.53Å; R66-E90 IonicContact NH1-OE1 3.95Å; R66-M347 WeakPolarHBondContact O-CE 3.38Å
67	D	94.1	Very high	92.8	Very high	62 Å²	62	45.8 Å²	45.8	33%	0.332	23%	0.233	S	C	.	.	S	Bend	trans	-131.2	171.7	176.3	-154.3	-2.3	0	0	0	112.2	H65 C87 D88 M347	H65-D67 WeakPolarHBondContact CB-O 3.38Å; D67-C87 HydrophobicContact CB-CB 4.21Å; D67-C87 WeakPolarHBondContact OD2-CB 3.38Å; D67-D88 HydrophobicContact CB-CB 3.97Å; D67-M347 WeakPolarHBondContact O-CA 3.43Å; D67-M347 WeakPolarHBondContact O-CB 3.17Å; D67-M347 WeakPolarHBondContact O-CG 3.44Å
68	G	93.3	Very high	92.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.244	C	C	.	.			trans	-54.3	141.8	-175.7	0	0	0	0	0	113.3	N70 A86 C87 D345	G68-N70 PolarHBondContact O-N 3.39Å; G68-A86 CarbonylContact O-C 3.51Å; G68-A86 VanDerWaalsContact O-CA 3.28Å; G68-A86 WeakPolarHBondContact O-CA 3.01Å; G68-C87 PolarHBondContact O-N 2.72Å; G68-C87 PolarHBondContact O-SG 2.83Å; G68-D345 VanDerWaalsContact CA-O 3.32Å; G68-D345 WeakPolarHBondContact CA-O 3.34Å
69	V	95.8	Very high	92.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	109.1	-179.4	-177.1	0	0	0	0	109.9	H65 L72 S344 M347 I349	H65-V69 HydrophobicContact CB-CG2 4.43Å; H65-V69 VanDerWaalsContact CD2-CG2 3.48Å; H65-V69 WeakPolarHBondContact CD2-CG2 3.36Å; V69-L72 HydrophobicContact CG1-CD2 4.33Å; V69-L72 HydrophobicContact CG1-CG 4.37Å; V69-S344 PolarHBondContact N-O 2.9Å; V69-S344 VanDerWaalsContact N-O 3.11Å; V69-M347 WeakPolarHBondContact CG2-O 3.48Å; V69-I349 HydrophobicContact CG1-CG1 4.18Å; V69-I349 HydrophobicContact CG2-CG1 3.94Å
70	N	94.3	Very high	92.2	Very high	40 Å²	40	46.5 Å²	46.5	21%	0.214	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-37.1	-175.2	-171.1	39.7	0	0	0	112.8	G68 G85 V112 I329	G68-N70 PolarHBondContact O-N 3.39Å; N70-G85 PolarHBondContact N-O 3.13Å; N70-V112 PolarHBondContact ND2-O 2.98Å; N70-I329 WeakPolarHBondContact OD1-CG2 3.3Å
71	C	93.7	Very high	92.2	Very high	14 Å²	14	47 Å²	47	10%	0.095	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	150.1	-176.5	57.1	0	0	0	0	113.3	S84 G85 V112 I115	C71-S84 WeakPolarHBondContact O-CA 3.38Å; C71-G85 PolarHBondContact N-O 2.89Å; C71-G85 PolarHBondContact O-N 3.42Å; C71-V112 PolarHBondContact SG-O 2.9Å; C71-I115 VanDerWaalsContact SG-CG1 3.59Å
72	L	95.9	Very high	92.2	Very high	11 Å²	11	44.9 Å²	44.9	6%	0.058	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	138.1	177.2	-76.2	171.8	0	0	0	110.1	V69 V82 L83 C330 K332 M341 I349	V69-L72 HydrophobicContact CG1-CD2 4.33Å; V69-L72 HydrophobicContact CG1-CG 4.37Å; L72-V82 HydrophobicContact CD2-CG1 4.32Å; L72-L83 WeakPolarHBondContact CA-O 3.3Å; L72-L83 WeakPolarHBondContact CD2-O 3.47Å; L72-C330 VanDerWaalsContact CG-SG 3.6Å; L72-K332 HydrophobicContact CB-CG 3.9Å; L72-M341 HydrophobicContact CD1-CB 4.44Å; L72-I349 HydrophobicContact CD1-CG2 4.43Å; L72-I349 HydrophobicContact CD2-CD1 3.98Å; L72-I349 HydrophobicContact CD2-CG1 4.31Å; L72-I349 HydrophobicContact CD2-CG2 4.3Å
73	A	95.1	Very high	92.4	Very high	8 Å²	8	44.6 Å²	44.6	7%	0.066	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	139.2	172	0	0	0	0	0	110.7	L83 I115 T117	A73-L83 HydrophobicContact CB-CB 4.28Å; A73-L83 PolarHBondContact N-O 3.33Å; A73-L83 PolarHBondContact O-N 2.91Å; A73-I115 HydrophobicContact CB-CB 4.21Å; A73-I115 HydrophobicContact CB-CG2 3.71Å; A73-T117 HydrophobicContact CB-CG2 4.42Å
74	K	94.2	Very high	92.7	Very high	47 Å²	47	39.2 Å²	39.2	20%	0.204	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	149.1	173.8	61.7	-169	174.8	-161.2	0	110.2	T117 D289 W333	K74-T117 WeakPolarHBondContact O-CG2 3.37Å; K74-T117 PolarHBondContact O-OG1 2.9Å; K74-D289 IonicContact NZ-OD2 2.88Å; K74-W333 WeakPolarHBondContact CD-O 3.49Å; K74-W333 PolarHBondContact NZ-O 3.14Å; K74-W333 VanDerWaalsContact NZ-O 3.16Å
75	H	93.1	Very high	93.3	Very high	23 Å²	23	38 Å²	38	11%	0.106	19%	0.186	C	C	.	.			trans	-71.6	137	169.2	-173.1	-53.7	0	0	0	109.7	K77 N78 T81 G121 M138	H75-K77 PolarHBondContact ND1-N 3.1Å; H75-N78 HydrophobicContact CB-CB 4.31Å; H75-N78 WeakPolarHBondContact CB-O 3.42Å; H75-N78 PolarHBondContact CE1-N 3.1Å; H75-N78 PolarHBondContact ND1-N 3.09Å; H75-T81 HydrophobicContact CB-CG2 4.49Å; H75-T81 WeakPolarHBondContact CB-O 3.1Å; H75-T81 PolarHBondContact N-O 3.03Å; H75-G121 VanDerWaalsContact CE1-CA 3.48Å; H75-G121 WeakPolarHBondContact CE1-CA 3.38Å; H75-G121 PolarHBondContact NE2-O 3.15Å; H75-G121 VanDerWaalsContact NE2-O 3.15Å; H75-M138 HydrophobicContact CB-CE 4.45Å; H75-M138 WeakPolarHBondContact CD2-CE 3.08Å
76	P	89.3	Confident	93.5	Very high	46 Å²	46	37.6 Å²	37.6	30%	0.299	18%	0.184	S	C	.	.	S	Bend	trans	-69.9	-41	-175.2	23.6	-33.4	0	0	0	113.3	T117 R118 F119	P76-T117 WeakPolarHBondContact CD-OG1 3.16Å; P76-R118 WeakPolarHBondContact CG-O 3.29Å; P76-F119 WeakPolarHBondContact CG-O 3.42Å
77	K	89.1	Confident	93.6	Very high	154 Å²	154	29.4 Å²	29.4	67%	0.67	16%	0.155	S	C	*	.	S	Bend	trans	-96.5	-43.2	-179.1	-58.2	179.3	-178.7	167.4	0	114.9	H75 C120	H75-K77 PolarHBondContact ND1-N 3.1Å; K77-C120 WeakPolarHBondContact CD-O 3.05Å; K77-C120 VanDerWaalsContact CE-O 3.28Å; K77-C120 WeakPolarHBondContact CE-O 3.4Å; K77-C120 PolarHBondContact NZ-O 3.2Å
78	N	91.1	Very high	93.5	Very high	75 Å²	75	28.3 Å²	28.3	40%	0.401	15%	0.149	S	C	.	.			trans	-85.5	122	-179.6	-168.7	-11.9	0	0	0	111	H75 A80 T81	H75-N78 HydrophobicContact CB-CB 4.31Å; H75-N78 WeakPolarHBondContact CB-O 3.42Å; H75-N78 PolarHBondContact CE1-N 3.1Å; H75-N78 PolarHBondContact ND1-N 3.09Å; N78-A80 VanDerWaalsContact C-N 3.32Å; N78-A80 PolarHBondContact O-N 2.96Å; N78-A80 PolarHBondContact OD1-N 2.73Å; N78-T81 PolarHBondContact ND2-OG1 2.76Å; N78-T81 VanDerWaalsContact ND2-OG1 3.07Å
79	L	91.1	Very high	93.5	Very high	83 Å²	83	28.3 Å²	28.3	44%	0.435	15%	0.149	S	C	.	.	S	Bend	trans	-71.3	-27.5	178.9	-178.4	64.7	0	0	0	113	D336	L79-D336 HydrophobicContact CD1-CB 3.82Å; L79-D336 HydrophobicContact CD2-CB 3.87Å
80	A	91.5	Very high	93.5	Very high	18 Å²	18	28.8 Å²	28.8	15%	0.149	15%	0.151	C	C	.	.	S	Bend	trans	-85.2	-20.4	-171.4	0	0	0	0	0	113.6	N78 N95 L96 T97	N78-A80 VanDerWaalsContact C-N 3.32Å; N78-A80 PolarHBondContact O-N 2.96Å; N78-A80 PolarHBondContact OD1-N 2.73Å; A80-N95 CarbonylContact O-C 3.49Å; A80-L96 WeakPolarHBondContact O-CB 3.46Å; A80-L96 WeakPolarHBondContact O-CG 3.38Å; A80-L96 PolarHBondContact O-N 2.96Å; A80-T97 HydrophobicContact CB-CG2 3.86Å
81	T	92.8	Very high	93.5	Very high	19 Å²	19	26.9 Å²	26.9	12%	0.117	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	128.6	-171	-53.3	0	0	0	0	111.7	H75 N78 I93 W94 M138	H75-T81 HydrophobicContact CB-CG2 4.49Å; H75-T81 WeakPolarHBondContact CB-O 3.1Å; H75-T81 PolarHBondContact N-O 3.03Å; N78-T81 PolarHBondContact ND2-OG1 2.76Å; N78-T81 VanDerWaalsContact ND2-OG1 3.07Å; T81-I93 HydrophobicContact CG2-CG2 3.64Å; T81-W94 WeakPolarHBondContact CA-O 3.27Å; T81-M138 HydrophobicContact CG2-CE 4.08Å
82	V	94.6	Very high	93.5	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.018	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	142.2	179.4	176.8	0	0	0	0	109.9	L72 W94 L96 M341	L72-V82 HydrophobicContact CD2-CG1 4.32Å; V82-W94 HydrophobicContact CB-CB 4.5Å; V82-W94 PolarHBondContact N-O 3.27Å; V82-W94 VanDerWaalsContact N-O 3.08Å; V82-W94 PolarHBondContact O-N 3.36Å; V82-L96 HydrophobicContact CG2-CD1 3.69Å; V82-L96 HydrophobicContact CG2-CD2 3.99Å; V82-L96 HydrophobicContact CG2-CG 3.78Å; V82-M341 HydrophobicContact CB-SD 4.29Å; V82-M341 HydrophobicContact CG1-CE 4.08Å; V82-M341 HydrophobicContact CG1-SD 3.94Å; V82-M341 HydrophobicContact CG2-CE 3.75Å; V82-M341 HydrophobicContact CG2-SD 3.55Å; V82-M341 VanDerWaalsContact CG2-SD 3.55Å
83	L	95.3	Very high	93.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	145	175.9	-57.7	172.5	0	0	0	109.7	L72 A73 R92 I93 I115 T117 F124 M138	L72-L83 WeakPolarHBondContact CA-O 3.3Å; L72-L83 WeakPolarHBondContact CD2-O 3.47Å; A73-L83 HydrophobicContact CB-CB 4.28Å; A73-L83 PolarHBondContact N-O 3.33Å; A73-L83 PolarHBondContact O-N 2.91Å; L83-R92 WeakPolarHBondContact CA-O 3.21Å; L83-I93 HydrophobicContact CD2-CB 3.99Å; L83-I93 HydrophobicContact CD2-CD1 3.72Å; L83-I93 HydrophobicContact CD2-CG1 3.44Å; L83-I93 VanDerWaalsContact CD2-CG1 3.44Å; L83-I93 HydrophobicContact CD2-CG2 3.9Å; L83-I115 HydrophobicContact CB-CG2 4.04Å; L83-I115 HydrophobicContact CD1-CG2 3.88Å; L83-T117 HydrophobicContact CD1-CG2 3.42Å; L83-T117 VanDerWaalsContact CD1-CG2 3.42Å; L83-T117 HydrophobicContact CG-CG2 4.37Å; L83-F124 HydrophobicContact CD1-CB 3.61Å; L83-F124 HydrophobicContact CD1-CD1 4.32Å; L83-F124 HydrophobicContact CD1-CD2 3.93Å; L83-F124 HydrophobicContact CD1-CG 3.71Å; L83-M138 HydrophobicContact CD1-CE 4.19Å; L83-M138 HydrophobicContact CD1-SD 4.07Å; L83-M138 HydrophobicContact CD2-CE 4.26Å; L83-M138 HydrophobicContact CD2-SD 4.17Å; L83-M138 HydrophobicContact CG-CE 4.35Å
84	S	96.2	Very high	93.4	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	137.7	176.1	58	0	0	0	0	110.6	H65 C71 V91 R92 W94	H65-S84 PolarHBondContact CE1-OG 2.91Å; H65-S84 WeakPolarHBondContact NE2-CB 3.49Å; H65-S84 PolarHBondContact NE2-OG 3.4Å; C71-S84 WeakPolarHBondContact O-CA 3.38Å; S84-V91 CarbonylContact O-C 3.56Å; S84-V91 WeakPolarHBondContact O-CA 3.42Å; S84-R92 PolarHBondContact N-O 2.93Å; S84-R92 PolarHBondContact O-N 3.24Å; S84-R92 PolarHBondContact OG-O 2.81Å; S84-W94 PolarHBondContact OG-NE1 2.84Å
85	G	95.8	Very high	93.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	131.8	175.2	0	0	0	0	0	110.5	N70 C71 I115	N70-G85 PolarHBondContact N-O 3.13Å; C71-G85 PolarHBondContact N-O 2.89Å; C71-G85 PolarHBondContact O-N 3.42Å; G85-I115 VanDerWaalsContact CA-CD1 3.47Å
86	A	95.6	Very high	93.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	169.3	176.8	0	0	0	0	0	111.9	H65 G68 D88 G89 E90 V112	H65-A86 HydrophobicContact CB-CB 4.22Å; H65-A86 WeakPolarHBondContact ND1-CB 3.19Å; G68-A86 CarbonylContact O-C 3.51Å; G68-A86 VanDerWaalsContact O-CA 3.28Å; G68-A86 WeakPolarHBondContact O-CA 3.01Å; A86-D88 VanDerWaalsContact C-N 3.25Å; A86-D88 WeakPolarHBondContact CB-OD1 3.4Å; A86-D88 PolarHBondContact O-N 2.77Å; A86-G89 PolarHBondContact O-N 2.92Å; A86-E90 PolarHBondContact N-O 3.14Å; A86-V112 WeakPolarHBondContact O-CG2 3.36Å; A86-V112 PolarHBondContact O-N 3.47Å
87	C	94.1	Very high	93.3	Very high	14 Å²	14	28.9 Å²	28.9	10%	0.095	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-20.1	177.3	-65.7	0	0	0	0	113	D67 G68 G89 F111	D67-C87 HydrophobicContact CB-CB 4.21Å; D67-C87 WeakPolarHBondContact OD2-CB 3.38Å; G68-C87 PolarHBondContact O-N 2.72Å; G68-C87 PolarHBondContact O-SG 2.83Å; C87-G89 PolarHBondContact O-N 3.07Å; C87-F111 HydrophobicContact CB-CD1 3.92Å; C87-F111 HydrophobicContact CB-CD2 4.43Å; C87-F111 HydrophobicContact CB-CE1 3.87Å; C87-F111 HydrophobicContact CB-CE2 4.42Å; C87-F111 HydrophobicContact CB-CG 4.18Å; C87-F111 HydrophobicContact CB-CZ 4.13Å; C87-F111 WeakPolarHBondContact O-CA 3.39Å; C87-F111 WeakPolarHBondContact O-CD1 3.33Å
88	D	92.4	Very high	93.3	Very high	39 Å²	39	27.6 Å²	27.6	21%	0.209	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-0.9	177.1	59.7	3.7	0	0	0	114.4	R66 D67 A86 E90 Q106	R66-D88 WeakPolarHBondContact CB-OD2 3.48Å; D67-D88 HydrophobicContact CB-CB 3.97Å; A86-D88 VanDerWaalsContact C-N 3.25Å; A86-D88 WeakPolarHBondContact CB-OD1 3.4Å; A86-D88 PolarHBondContact O-N 2.77Å; D88-E90 VanDerWaalsContact C-N 3.33Å; D88-E90 VanDerWaalsContact OD1-CB 3.3Å; D88-E90 WeakPolarHBondContact OD1-CB 3.44Å; D88-E90 PolarHBondContact OD1-N 2.93Å; D88-Q106 PolarHBondContact O-NE2 2.71Å; D88-Q106 VanDerWaalsContact O-NE2 3.1Å
89	G	92.8	Very high	93.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	88	-3.9	-176.1	0	0	0	0	0	114.4	A86 C87 A107 H108 G110	A86-G89 PolarHBondContact O-N 2.92Å; C87-G89 PolarHBondContact O-N 3.07Å; G89-A107 PolarHBondContact O-N 2.86Å; G89-H108 WeakPolarHBondContact CA-O 3.44Å; G89-H108 PolarHBondContact O-N 2.86Å; G89-G110 WeakPolarHBondContact CA-O 3.34Å; G89-G110 PolarHBondContact N-O 3.46Å
90	E	94.7	Very high	93.2	Very high	10 Å²	10	30 Å²	30	5%	0.047	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	133.3	175.1	-69.1	-172.1	-173.9	0	0	110.7	R66 A86 D88 R92 T104	R66-E90 IonicContact CZ-OE1 3.74Å; R66-E90 IonicContact NE-OE1 3.53Å; R66-E90 IonicContact NH1-OE1 3.95Å; A86-E90 PolarHBondContact N-O 3.14Å; D88-E90 VanDerWaalsContact C-N 3.33Å; D88-E90 VanDerWaalsContact OD1-CB 3.3Å; D88-E90 WeakPolarHBondContact OD1-CB 3.44Å; D88-E90 PolarHBondContact OD1-N 2.93Å; E90-R92 IonicContact OE2-CZ 3.45Å; E90-R92 IonicContact OE2-NE 3.21Å; E90-R92 PolarHBondContact OE2-NE 3.21Å; E90-R92 IonicContact OE2-NH2 2.8Å; E90-R92 PolarHBondContact OE2-NH2 3.1Å; E90-T104 HydrophobicContact CG-CG2 4.45Å
91	V	95.4	Very high	93.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.8	168.4	178.6	0	0	0	0	108.9	S84 I105 A107 V112 I115 F124 T126	S84-V91 CarbonylContact O-C 3.56Å; S84-V91 WeakPolarHBondContact O-CA 3.42Å; V91-I105 PolarHBondContact N-O 2.87Å; V91-I105 PolarHBondContact O-N 3.06Å; V91-A107 HydrophobicContact CB-CB 4.35Å; V91-A107 HydrophobicContact CG2-CB 3.7Å; V91-V112 HydrophobicContact CG2-CG1 4.1Å; V91-V112 HydrophobicContact CG2-CG2 3.9Å; V91-I115 HydrophobicContact CG1-CD1 3.86Å; V91-I115 HydrophobicContact CG2-CD1 4.01Å; V91-F124 HydrophobicContact CG1-CE2 3.95Å; V91-F124 HydrophobicContact CG1-CZ 4.47Å; V91-T126 HydrophobicContact CG1-CG2 4.49Å; V91-T126 HydrophobicContact CG2-CG2 3.95Å
92	R	94.4	Very high	93.1	Very high	29 Å²	29	34.7 Å²	34.7	11%	0.109	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	140.5	-179.1	-67.5	-174.6	-179.7	-150	5	112.2	G64 L83 S84 E90 W94 R103 T104	G64-R92 PolarHBondContact O-NH1 2.97Å; G64-R92 PolarHBondContact O-NH2 2.9Å; L83-R92 WeakPolarHBondContact CA-O 3.21Å; S84-R92 PolarHBondContact N-O 2.93Å; S84-R92 PolarHBondContact O-N 3.24Å; S84-R92 PolarHBondContact OG-O 2.81Å; E90-R92 IonicContact OE2-CZ 3.45Å; E90-R92 IonicContact OE2-NE 3.21Å; E90-R92 PolarHBondContact OE2-NE 3.21Å; E90-R92 IonicContact OE2-NH2 2.8Å; E90-R92 PolarHBondContact OE2-NH2 3.1Å; R92-W94 HydrophobicContact CB-CZ2 4.14Å; R92-R103 WeakPolarHBondContact CA-O 3.36Å; R92-T104 HydrophobicContact CG-CG2 3.97Å
93	I	94.4	Very high	92.8	Very high	4 Å²	4	36 Å²	36	2%	0.021	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	121.1	175.1	-44.8	-162.8	0	0	0	108.6	T81 L83 I102 R103 I105 F124	T81-I93 HydrophobicContact CG2-CG2 3.64Å; L83-I93 HydrophobicContact CD2-CB 3.99Å; L83-I93 HydrophobicContact CD2-CD1 3.72Å; L83-I93 HydrophobicContact CD2-CG1 3.44Å; L83-I93 VanDerWaalsContact CD2-CG1 3.44Å; L83-I93 HydrophobicContact CD2-CG2 3.9Å; I93-I102 HydrophobicContact CG2-CD1 4.37Å; I93-I102 PolarHBondContact O-N 2.68Å; I93-R103 HydrophobicContact CB-CB 4.32Å; I93-R103 HydrophobicContact CD1-CB 4.47Å; I93-R103 HydrophobicContact CG1-CB 4.23Å; I93-R103 PolarHBondContact N-O 3.26Å; I93-R103 PolarHBondContact O-N 3.26Å; I93-I105 HydrophobicContact CD1-CD1 4.4Å; I93-F124 HydrophobicContact CD1-CE1 3.98Å; I93-F124 HydrophobicContact CD1-CZ 4.33Å
94	W	94.3	Very high	92.6	Very high	3 Å²	3	39 Å²	39	1%	0.011	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	143.3	-175.5	-60.3	91.3	0	0	0	111.6	L62 D63 T81 V82 S84 R92 C101 I349	L62-W94 HydrophobicContact CB-CD2 4.19Å; L62-W94 HydrophobicContact CB-CE3 3.83Å; L62-W94 HydrophobicContact CB-CH2 4.14Å; L62-W94 HydrophobicContact CB-CZ2 4.48Å; L62-W94 HydrophobicContact CB-CZ3 3.8Å; L62-W94 HydrophobicContact CD1-CB 4.23Å; L62-W94 HydrophobicContact CD1-CD2 4.13Å; L62-W94 HydrophobicContact CD1-CE3 4.2Å; L62-W94 HydrophobicContact CD1-CG 4.14Å; L62-W94 HydrophobicContact CD2-CE3 4.12Å; L62-W94 HydrophobicContact CG-CE3 4.27Å; D63-W94 WeakPolarHBondContact O-CH2 3.36Å; T81-W94 WeakPolarHBondContact CA-O 3.27Å; V82-W94 HydrophobicContact CB-CB 4.5Å; V82-W94 PolarHBondContact N-O 3.27Å; V82-W94 VanDerWaalsContact N-O 3.08Å; V82-W94 PolarHBondContact O-N 3.36Å; S84-W94 PolarHBondContact OG-NE1 2.84Å; R92-W94 HydrophobicContact CB-CZ2 4.14Å; W94-C101 HydrophobicContact CD2-CB 4.45Å; W94-C101 HydrophobicContact CE3-CB 3.9Å; W94-C101 HydrophobicContact CH2-CB 3.92Å; W94-C101 HydrophobicContact CZ2-CB 4.46Å; W94-C101 HydrophobicContact CZ3-CB 3.61Å; W94-I349 HydrophobicContact CZ2-CD1 4.35Å
95	N	93.2	Very high	92.5	Very high	24 Å²	24	39.1 Å²	39.1	13%	0.128	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	112	163.2	-169.8	-15.6	0	0	0	109.5	A80 T97 Q98 R99 N100 I102	A80-N95 CarbonylContact O-C 3.49Å; N95-T97 VanDerWaalsContact C-N 3.26Å; N95-T97 VanDerWaalsContact CG-OG1 3.31Å; N95-T97 PolarHBondContact ND2-OG1 3.17Å; N95-T97 PolarHBondContact O-N 2.99Å; N95-T97 PolarHBondContact OD1-N 2.84Å; N95-T97 PolarHBondContact OD1-OG1 2.89Å; N95-Q98 HydrophobicContact CB-CB 4.45Å; N95-R99 VanDerWaalsContact O-CA 3.22Å; N95-R99 WeakPolarHBondContact O-CA 3.3Å; N95-R99 PolarHBondContact O-N 2.77Å; N95-N100 PolarHBondContact N-O 3.02Å; N95-I102 HydrophobicContact CB-CD1 3.77Å; N95-I102 HydrophobicContact CB-CG1 3.81Å
96	L	90.6	Very high	92.3	Very high	27 Å²	27	44.4 Å²	44.4	14%	0.141	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-26.1	179.2	-64.5	-177.4	0	0	0	113.5	L62 A80 V82 T334 M341	L62-L96 HydrophobicContact CD1-CD2 4.07Å; A80-L96 WeakPolarHBondContact O-CB 3.46Å; A80-L96 WeakPolarHBondContact O-CG 3.38Å; A80-L96 PolarHBondContact O-N 2.96Å; V82-L96 HydrophobicContact CG2-CD1 3.69Å; V82-L96 HydrophobicContact CG2-CD2 3.99Å; V82-L96 HydrophobicContact CG2-CG 3.78Å; L96-T334 HydrophobicContact CD1-CG2 4.21Å; L96-M341 HydrophobicContact CD1-SD 3.94Å; L96-M341 HydrophobicContact CD2-SD 3.88Å; L96-M341 HydrophobicContact CG-SD 4.49Å
97	T	89.7	Confident	92.1	Very high	104 Å²	104	44.5 Å²	44.5	64%	0.638	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-48.2	-178.8	61	0	0	0	0	111.3	A80 N95	A80-T97 HydrophobicContact CB-CG2 3.86Å; N95-T97 VanDerWaalsContact C-N 3.26Å; N95-T97 VanDerWaalsContact CG-OG1 3.31Å; N95-T97 PolarHBondContact ND2-OG1 3.17Å; N95-T97 PolarHBondContact O-N 2.99Å; N95-T97 PolarHBondContact OD1-N 2.84Å; N95-T97 PolarHBondContact OD1-OG1 2.89Å
98	Q	88.9	Confident	92.1	Very high	128 Å²	128	44 Å²	44	60%	0.598	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-17.6	178.6	-66.1	175.2	-10.1	0	0	112.9	N95 N100	N95-Q98 HydrophobicContact CB-CB 4.45Å; Q98-N100 PolarHBondContact O-N 2.86Å; Q98-N100 PolarHBondContact O-OD1 3.12Å
99	R	89.8	Confident	92	Very high	112 Å²	112	51.2 Å²	51.2	42%	0.423	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.2	28.7	-177.2	-52.4	175.8	-174.3	-178.1	1	114.1	L62 N95	L62-R99 HydrophobicContact CD2-CB 3.81Å; L62-R99 WeakPolarHBondContact CD2-O 3.02Å; N95-R99 VanDerWaalsContact O-CA 3.22Å; N95-R99 WeakPolarHBondContact O-CA 3.3Å; N95-R99 PolarHBondContact O-N 2.77Å
100	N	90.4	Very high	91.8	Very high	97 Å²	97	52.2 Å²	52.2	52%	0.519	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	152.9	-179.5	-66.6	-12	0	0	0	110.4	N95 Q98 I102	N95-N100 PolarHBondContact N-O 3.02Å; Q98-N100 PolarHBondContact O-N 2.86Å; Q98-N100 PolarHBondContact O-OD1 3.12Å; N100-I102 PolarHBondContact O-N 2.56Å
101	C	91.3	Very high	91.8	Very high	41 Å²	41	56 Å²	56	28%	0.277	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	123.4	166.2	-168.1	0	0	0	0	107.9	W94 R103	W94-C101 HydrophobicContact CD2-CB 4.45Å; W94-C101 HydrophobicContact CE3-CB 3.9Å; W94-C101 HydrophobicContact CH2-CB 3.92Å; W94-C101 HydrophobicContact CZ2-CB 4.46Å; W94-C101 HydrophobicContact CZ3-CB 3.61Å; C101-R103 PolarHBondContact SG-O 3.05Å
102	I	90.4	Very high	91.7	Very high	94 Å²	94	56 Å²	56	48%	0.482	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-45.8	175.3	-48.1	175.1	0	0	0	109.2	I93 N95 N100	I93-I102 HydrophobicContact CG2-CD1 4.37Å; I93-I102 PolarHBondContact O-N 2.68Å; N95-I102 HydrophobicContact CB-CD1 3.77Å; N95-I102 HydrophobicContact CB-CG1 3.81Å; N100-I102 PolarHBondContact O-N 2.56Å
103	R	88.9	Confident	91.7	Very high	30 Å²	30	59.3 Å²	59.3	11%	0.113	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	144.4	-173.5	-62.2	-162.4	-68.5	149.9	-5.9	111.6	R92 I93 C101 K137 M138 D139 E147	R92-R103 WeakPolarHBondContact CA-O 3.36Å; I93-R103 HydrophobicContact CB-CB 4.32Å; I93-R103 HydrophobicContact CD1-CB 4.47Å; I93-R103 HydrophobicContact CG1-CB 4.23Å; I93-R103 PolarHBondContact N-O 3.26Å; I93-R103 PolarHBondContact O-N 3.26Å; C101-R103 PolarHBondContact SG-O 3.05Å; R103-K137 PolarHBondContact NH2-O 3.21Å; R103-M138 PolarHBondContact NH2-O 3.32Å; R103-D139 VanDerWaalsContact CZ-O 3.27Å; R103-D139 PolarHBondContact NH1-O 2.73Å; R103-D139 VanDerWaalsContact NH1-O 3.08Å; R103-D139 PolarHBondContact NH2-O 3.18Å; R103-D139 VanDerWaalsContact NH2-O 3.14Å; R103-E147 IonicContact CZ-OE1 3.62Å; R103-E147 IonicContact NH1-OE1 3.8Å; R103-E147 PolarHBondContact NH1-OE1 2.96Å
104	T	92.3	Very high	91.6	Very high	62 Å²	62	59.4 Å²	59.4	38%	0.38	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	123.1	173.9	-57.3	0	0	0	0	107.7	E90 R92	E90-T104 HydrophobicContact CG-CG2 4.45Å; R92-T104 HydrophobicContact CG-CG2 3.97Å
105	I	92.5	Very high	91.7	Very high	4 Å²	4	59.9 Å²	59.9	2%	0.021	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	128.2	-176.1	-63.5	156.5	0	0	0	107.7	V91 I93 A107 F124 W136 E147	V91-I105 PolarHBondContact N-O 2.87Å; V91-I105 PolarHBondContact O-N 3.06Å; I93-I105 HydrophobicContact CD1-CD1 4.4Å; I105-A107 HydrophobicContact CG2-CB 4.47Å; I105-A107 PolarHBondContact O-N 2.97Å; I105-A107 VanDerWaalsContact O-N 3.16Å; I105-F124 HydrophobicContact CD1-CE1 4.35Å; I105-F124 HydrophobicContact CD1-CZ 3.71Å; I105-W136 HydrophobicContact CG2-CD2 4.14Å; I105-W136 HydrophobicContact CG2-CE3 3.93Å; I105-W136 HydrophobicContact CG2-CH2 3.69Å; I105-W136 HydrophobicContact CG2-CZ2 3.92Å; I105-W136 HydrophobicContact CG2-CZ3 3.69Å; I105-E147 WeakPolarHBondContact CG1-OE2 3.29Å
106	Q	92.8	Very high	91.8	Very high	111 Å²	111	59.2 Å²	59.2	52%	0.519	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	93.2	168	-171.2	67.8	32.6	0	0	108.4	D88 H108	D88-Q106 PolarHBondContact O-NE2 2.71Å; D88-Q106 VanDerWaalsContact O-NE2 3.1Å; Q106-H108 PolarHBondContact NE2-O 3.12Å
107	A	91.4	Very high	92	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.008	29%	0.294	C	S	.	.			trans	-82.9	-40.3	-172.3	0	0	0	0	0	112.1	G89 V91 I105 T126 K134 W136	G89-A107 PolarHBondContact O-N 2.86Å; V91-A107 HydrophobicContact CB-CB 4.35Å; V91-A107 HydrophobicContact CG2-CB 3.7Å; I105-A107 HydrophobicContact CG2-CB 4.47Å; I105-A107 PolarHBondContact O-N 2.97Å; I105-A107 VanDerWaalsContact O-N 3.16Å; A107-T126 HydrophobicContact CB-CG2 4.43Å; A107-K134 VanDerWaalsContact O-CD 3.25Å; A107-K134 WeakPolarHBondContact O-CD 3.23Å; A107-K134 WeakPolarHBondContact O-CE 3.37Å; A107-K134 PolarHBondContact O-NZ 3.16Å; A107-W136 HydrophobicContact CB-CZ2 4.05Å
108	H	93.3	Very high	92.1	Very high	4 Å²	4	56 Å²	56	2%	0.019	27%	0.272	C	S	.	.			trans	-137.6	161.2	-173.8	-62.6	-78.2	0	0	0	110.8	G89 Q106 G110 T126 D130 T132	G89-H108 WeakPolarHBondContact CA-O 3.44Å; G89-H108 PolarHBondContact O-N 2.86Å; Q106-H108 PolarHBondContact NE2-O 3.12Å; H108-G110 VanDerWaalsContact C-N 3.31Å; H108-T126 WeakPolarHBondContact NE2-CB 3.4Å; H108-T126 PolarHBondContact NE2-OG1 2.9Å; H108-D130 IonicContact CE1-OD1 2.98Å; H108-D130 IonicContact CE1-OD2 2.66Å; H108-D130 IonicContact CG-OD1 3.51Å; H108-D130 IonicContact CG-OD2 3.57Å; H108-D130 IonicContact ND1-OD1 2.73Å; H108-D130 PolarHBondContact ND1-OD1 3.41Å; H108-D130 IonicContact ND1-OD2 3.44Å; H108-D130 PolarHBondContact ND1-OD2 2.82Å; H108-T132 PolarHBondContact CE1-OG1 3.07Å; H108-T132 VanDerWaalsContact CE1-OG1 3.22Å; H108-T132 PolarHBondContact ND1-OG1 2.92Å
109	E	89.8	Confident	92.1	Very high	191 Å²	191	52.8 Å²	52.8	89%	0.893	26%	0.256	S	S	*	.	S	Bend	trans	-81.7	-12.6	173	-66.8	-172.6	166.5	0	0	112.9
110	G	90.1	Very high	92	Very high	20 Å²	20	48.8 Å²	48.8	21%	0.206	25%	0.245	C	C	.	.	S	Bend	trans	-135.5	-157.4	179.3	0	0	0	0	0	112.2	G89 H108 V112	G89-G110 WeakPolarHBondContact CA-O 3.34Å; G89-G110 PolarHBondContact N-O 3.46Å; H108-G110 VanDerWaalsContact C-N 3.31Å; G110-V112 PolarHBondContact O-N 3.2Å
111	F	93.1	Very high	91.9	Very high	89 Å²	89	44.5 Å²	44.5	39%	0.39	22%	0.223	S	C	.	.			trans	-63.8	131.2	-167.7	-69.4	15.6	0	0	0	111.6	C87 R113 G128 D129	C87-F111 HydrophobicContact CB-CD1 3.92Å; C87-F111 HydrophobicContact CB-CD2 4.43Å; C87-F111 HydrophobicContact CB-CE1 3.87Å; C87-F111 HydrophobicContact CB-CE2 4.42Å; C87-F111 HydrophobicContact CB-CG 4.18Å; C87-F111 HydrophobicContact CB-CZ 4.13Å; C87-F111 WeakPolarHBondContact O-CA 3.39Å; C87-F111 WeakPolarHBondContact O-CD1 3.33Å; F111-R113 PolarHBondContact O-N 2.93Å; F111-G128 WeakPolarHBondContact O-CA 3.42Å; F111-D129 PolarHBondContact O-N 3.42Å
112	V	95.2	Very high	91.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	103.5	167.2	-168.6	0	0	0	0	108.3	N70 C71 A86 V91 G110 I115 V127	N70-V112 PolarHBondContact ND2-O 2.98Å; C71-V112 PolarHBondContact SG-O 2.9Å; A86-V112 WeakPolarHBondContact O-CG2 3.36Å; A86-V112 PolarHBondContact O-N 3.47Å; V91-V112 HydrophobicContact CG2-CG1 4.1Å; V91-V112 HydrophobicContact CG2-CG2 3.9Å; G110-V112 PolarHBondContact O-N 3.2Å; V112-I115 HydrophobicContact CG1-CD1 4.04Å; V112-I115 HydrophobicContact CG1-CG1 3.73Å; V112-V127 CarbonylContact C-O 3.48Å
113	R	93.3	Very high	92	Very high	99 Å²	99	42 Å²	42	37%	0.374	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	-35.8	-177.2	-66.9	-63.9	-177.6	144	-0	112.8	F111 V127 D129	F111-R113 PolarHBondContact O-N 2.93Å; R113-V127 PolarHBondContact N-O 3.06Å; R113-D129 VanDerWaalsContact CG-OD1 3.31Å; R113-D129 WeakPolarHBondContact CG-OD1 3.41Å; R113-D129 IonicContact CZ-OD1 3.56Å; R113-D129 IonicContact CZ-OD2 2.96Å; R113-D129 IonicContact NE-OD1 2.97Å; R113-D129 PolarHBondContact NE-OD1 3.05Å; R113-D129 IonicContact NE-OD2 3.32Å; R113-D129 IonicContact NH2-OD1 3.97Å; R113-D129 PolarHBondContact NH2-OD1 3.26Å; R113-D129 IonicContact NH2-OD2 2.71Å; R113-D129 PolarHBondContact NH2-OD2 3.47Å
114	G	92.9	Very high	92.3	Very high	7 Å²	7	40.5 Å²	40.5	7%	0.072	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	144.8	-177.5	0	0	0	0	0	112.5	V127	G114-V127 PolarHBondContact N-O 3.38Å; G114-V127 PolarHBondContact O-N 3.36Å
115	I	95.8	Very high	92.4	Very high	12 Å²	12	37.7 Å²	37.7	6%	0.062	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	136.8	170.6	-63.5	173.1	0	0	0	107.5	C71 A73 L83 G85 V91 V112 F124 F125 T126	C71-I115 VanDerWaalsContact SG-CG1 3.59Å; A73-I115 HydrophobicContact CB-CB 4.21Å; A73-I115 HydrophobicContact CB-CG2 3.71Å; L83-I115 HydrophobicContact CB-CG2 4.04Å; L83-I115 HydrophobicContact CD1-CG2 3.88Å; G85-I115 VanDerWaalsContact CA-CD1 3.47Å; V91-I115 HydrophobicContact CG1-CD1 3.86Å; V91-I115 HydrophobicContact CG2-CD1 4.01Å; V112-I115 HydrophobicContact CG1-CD1 4.04Å; V112-I115 HydrophobicContact CG1-CG1 3.73Å; I115-F124 HydrophobicContact CG2-CD2 4.45Å; I115-F125 WeakPolarHBondContact CA-O 3.41Å; I115-T126 HydrophobicContact CG1-CG2 4.28Å
116	C	94.8	Very high	92.5	Very high	11 Å²	11	37.5 Å²	37.5	7%	0.074	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	144.1	169.2	-166	0	0	0	0	111.2	F124 F125 I162 H164	C116-F124 CarbonylContact O-C 3.25Å; C116-F124 WeakPolarHBondContact O-CA 3.48Å; C116-F124 WeakPolarHBondContact O-CB 3.18Å; C116-F125 PolarHBondContact N-O 2.89Å; C116-F125 PolarHBondContact O-N 3.28Å; C116-I162 HydrophobicContact CB-CG1 4.49Å; C116-I162 HydrophobicContact CB-CG2 4.08Å; C116-H164 HydrophobicContact CB-CB 4.48Å; C116-H164 WeakPolarHBondContact SG-CB 3.43Å; C116-H164 PolarHBondContact SG-N 3.23Å
117	T	94.7	Very high	92.6	Very high	17 Å²	17	32.2 Å²	32.2	10%	0.104	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	141.2	174.6	46.2	0	0	0	0	109.8	A73 K74 P76 L83 F124 M138	A73-T117 HydrophobicContact CB-CG2 4.42Å; K74-T117 WeakPolarHBondContact O-CG2 3.37Å; K74-T117 PolarHBondContact O-OG1 2.9Å; P76-T117 WeakPolarHBondContact CD-OG1 3.16Å; L83-T117 HydrophobicContact CD1-CG2 3.42Å; L83-T117 VanDerWaalsContact CD1-CG2 3.42Å; L83-T117 HydrophobicContact CG-CG2 4.37Å; T117-F124 HydrophobicContact CG2-CB 4.37Å; T117-M138 HydrophobicContact CG2-CE 4.31Å
118	R	93.6	Very high	92.7	Very high	45 Å²	45	32.2 Å²	32.2	17%	0.17	16%	0.162	C	C	.	.			trans	-65.4	142.6	172	-177.9	178.2	175.2	134.9	19.5	110.3	P76 C120 G121 S123 E183	P76-R118 WeakPolarHBondContact CG-O 3.29Å; R118-C120 WeakPolarHBondContact CD-SG 3.37Å; R118-C120 PolarHBondContact NE-SG 2.98Å; R118-C120 PolarHBondContact O-N 3.17Å; R118-G121 WeakPolarHBondContact O-CA 3.34Å; R118-G121 PolarHBondContact O-N 2.48Å; R118-S123 WeakPolarHBondContact CB-O 3.27Å; R118-S123 VanDerWaalsContact CD-OG 3.29Å; R118-S123 WeakPolarHBondContact CD-OG 3.49Å; R118-S123 PolarHBondContact N-O 2.66Å; R118-E183 VanDerWaalsContact CD-OE1 3.28Å; R118-E183 WeakPolarHBondContact CD-OE1 3.4Å; R118-E183 IonicContact CZ-OE1 3.52Å; R118-E183 IonicContact CZ-OE2 3.33Å; R118-E183 IonicContact NE-OE1 2.68Å; R118-E183 PolarHBondContact NE-OE1 2.82Å; R118-E183 IonicContact NE-OE2 3.67Å; R118-E183 IonicContact NH1-OE1 3.85Å; R118-E183 PolarHBondContact NH1-OE1 2.98Å; R118-E183 IonicContact NH1-OE2 3.2Å; R118-E183 PolarHBondContact NH1-OE2 3.24Å; R118-E183 IonicContact NH2-OE1 3.46Å; R118-E183 IonicContact NH2-OE2 2.71Å; R118-E183 PolarHBondContact NH2-OE2 2.97Å
119	F	88.3	Confident	92.6	Very high	62 Å²	62	34.4 Å²	34.4	27%	0.272	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50	-36.1	179.9	70.9	-82.5	0	0	0	114.7	P76 H164 W166 K167 E168 A169	P76-F119 WeakPolarHBondContact CG-O 3.42Å; F119-H164 AromaticContact CD1-CE1 3.5Å; F119-H164 AromaticContact CD1-ND1 3.94Å; F119-W166 WeakPolarHBondContact CB-O 3.18Å; F119-K167 WeakPolarHBondContact CE2-O 3.45Å; F119-E168 WeakPolarHBondContact CD1-O 3.3Å; F119-E168 WeakPolarHBondContact CE1-O 3.3Å; F119-A169 HydrophobicContact CE1-CB 4.5Å
120	C	87.9	Confident	92.6	Very high	28 Å²	28	27.6 Å²	27.6	19%	0.189	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-19.7	-179.9	67.5	0	0	0	0	113.3	K77 R118 T122	K77-C120 WeakPolarHBondContact CD-O 3.05Å; K77-C120 VanDerWaalsContact CE-O 3.28Å; K77-C120 WeakPolarHBondContact CE-O 3.4Å; K77-C120 PolarHBondContact NZ-O 3.2Å; R118-C120 WeakPolarHBondContact CD-SG 3.37Å; R118-C120 PolarHBondContact NE-SG 2.98Å; R118-C120 PolarHBondContact O-N 3.17Å; C120-T122 PolarHBondContact SG-OG1 3.11Å
121	G	87.3	Confident	92.7	Very high	6 Å²	6	31 Å²	31	6%	0.062	15%	0.153	C	C	.	.	S	Bend	trans	88.2	4.3	179.3	0	0	0	0	0	116.1	H75 R118 M138	H75-G121 VanDerWaalsContact CE1-CA 3.48Å; H75-G121 WeakPolarHBondContact CE1-CA 3.38Å; H75-G121 PolarHBondContact NE2-O 3.15Å; H75-G121 VanDerWaalsContact NE2-O 3.15Å; R118-G121 WeakPolarHBondContact O-CA 3.34Å; R118-G121 PolarHBondContact O-N 2.48Å; G121-M138 WeakPolarHBondContact O-CG 3.29Å
122	T	90.9	Very high	92.7	Very high	79 Å²	79	27.3 Å²	27.3	49%	0.485	14%	0.138	S	C	.	.	S	Bend	trans	-85	-24.7	-176	59.3	0	0	0	0	113.7	C120 M138	C120-T122 PolarHBondContact SG-OG1 3.11Å; T122-M138 WeakPolarHBondContact O-CB 3.28Å; T122-M138 PolarHBondContact O-N 3.49Å
123	S	92.9	Very high	92.7	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.021	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	166.1	-179.2	63.6	0	0	0	0	111.5	R118 Q135 W136	R118-S123 WeakPolarHBondContact CB-O 3.27Å; R118-S123 VanDerWaalsContact CD-OG 3.29Å; R118-S123 WeakPolarHBondContact CD-OG 3.49Å; R118-S123 PolarHBondContact N-O 2.66Å; S123-Q135 PolarHBondContact OG-NE2 2.68Å; S123-W136 CarbonylContact C-O 3.56Å; S123-W136 WeakPolarHBondContact CA-O 3.39Å; S123-W136 WeakPolarHBondContact CB-O 3.4Å
124	F	95.1	Very high	92.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	158.2	172.8	67.5	-81.6	0	0	0	110.5	L83 V91 I93 I105 I115 C116 T117 T126 Q135 W136 M138	L83-F124 HydrophobicContact CD1-CB 3.61Å; L83-F124 HydrophobicContact CD1-CD1 4.32Å; L83-F124 HydrophobicContact CD1-CD2 3.93Å; L83-F124 HydrophobicContact CD1-CG 3.71Å; V91-F124 HydrophobicContact CG1-CE2 3.95Å; V91-F124 HydrophobicContact CG1-CZ 4.47Å; I93-F124 HydrophobicContact CD1-CE1 3.98Å; I93-F124 HydrophobicContact CD1-CZ 4.33Å; I105-F124 HydrophobicContact CD1-CE1 4.35Å; I105-F124 HydrophobicContact CD1-CZ 3.71Å; I115-F124 HydrophobicContact CG2-CD2 4.45Å; C116-F124 CarbonylContact O-C 3.25Å; C116-F124 WeakPolarHBondContact O-CA 3.48Å; C116-F124 WeakPolarHBondContact O-CB 3.18Å; T117-F124 HydrophobicContact CG2-CB 4.37Å; F124-T126 HydrophobicContact CD2-CG2 3.75Å; F124-T126 HydrophobicContact CE2-CG2 3.56Å; F124-Q135 WeakPolarHBondContact O-CA 3.46Å; F124-W136 HydrophobicContact CD1-CB 3.75Å; F124-W136 HydrophobicContact CD2-CB 4.18Å; F124-W136 HydrophobicContact CE1-CB 3.29Å; F124-W136 HydrophobicContact CE1-CG 4.22Å; F124-W136 HydrophobicContact CE2-CB 3.71Å; F124-W136 AromaticContact CE2-CD1 3.63Å; F124-W136 AromaticContact CE2-CG 3.83Å; F124-W136 HydrophobicContact CE2-CG 3.83Å; F124-W136 HydrophobicContact CG-CB 4.22Å; F124-W136 HydrophobicContact CZ-CB 3.26Å; F124-W136 AromaticContact CZ-CD1 3.99Å; F124-W136 AromaticContact CZ-CG 3.7Å; F124-W136 HydrophobicContact CZ-CG 3.7Å; F124-W136 PolarHBondContact N-O 2.82Å; F124-W136 PolarHBondContact O-N 3.29Å; F124-M138 HydrophobicContact CB-SD 3.93Å; F124-M138 HydrophobicContact CD1-CG 4.01Å; F124-M138 HydrophobicContact CD1-SD 3.21Å; F124-M138 WeakPolarHBondContact CD1-SD 3.28Å; F124-M138 HydrophobicContact CE1-SD 3.94Å; F124-M138 HydrophobicContact CG-SD 3.89Å
125	F	95.1	Very high	92.8	Very high	3 Å²	3	25.3 Å²	25.3	1%	0.013	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	139.1	179.7	-64.1	-87.3	0	0	0	109.8	I115 C116 V133 K134 Q135 I162 H164 F171 E183	I115-F125 WeakPolarHBondContact CA-O 3.41Å; C116-F125 PolarHBondContact N-O 2.89Å; C116-F125 PolarHBondContact O-N 3.28Å; F125-V133 HydrophobicContact CD1-CG1 4.31Å; F125-K134 CarbonylContact C-O 3.6Å; F125-K134 WeakPolarHBondContact CA-O 3.35Å; F125-Q135 HydrophobicContact CD1-CB 3.8Å; F125-Q135 HydrophobicContact CD1-CG 3.99Å; F125-Q135 HydrophobicContact CE1-CB 3.54Å; F125-Q135 HydrophobicContact CE1-CG 3.46Å; F125-Q135 VanDerWaalsContact CE1-CG 3.46Å; F125-Q135 HydrophobicContact CE2-CG 4.5Å; F125-Q135 HydrophobicContact CZ-CB 4.33Å; F125-Q135 HydrophobicContact CZ-CG 3.74Å; F125-I162 HydrophobicContact CB-CD1 3.58Å; F125-I162 HydrophobicContact CG-CD1 4.3Å; F125-H164 AromaticContact CD2-CD2 3.93Å; F125-H164 AromaticContact CE2-CD2 3.64Å; F125-H164 AromaticContact CE2-NE2 3.9Å; F125-F171 HydrophobicContact CE1-CD1 4.37Å; F125-F171 HydrophobicContact CE1-CE1 4.05Å; F125-F171 HydrophobicContact CE1-CZ 4.46Å; F125-F171 HydrophobicContact CZ-CD1 4.26Å; F125-F171 HydrophobicContact CZ-CE1 4.29Å; F125-E183 HydrophobicContact CE2-CG 4.45Å; F125-E183 HydrophobicContact CZ-CG 3.8Å
126	T	95.3	Very high	92.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	145.7	175.2	64.9	0	0	0	0	109.3	V91 A107 H108 I115 F124 V133 K134 W136	V91-T126 HydrophobicContact CG1-CG2 4.49Å; V91-T126 HydrophobicContact CG2-CG2 3.95Å; A107-T126 HydrophobicContact CB-CG2 4.43Å; H108-T126 WeakPolarHBondContact NE2-CB 3.4Å; H108-T126 PolarHBondContact NE2-OG1 2.9Å; I115-T126 HydrophobicContact CG1-CG2 4.28Å; F124-T126 HydrophobicContact CD2-CG2 3.75Å; F124-T126 HydrophobicContact CE2-CG2 3.56Å; T126-V133 WeakPolarHBondContact O-CA 3.36Å; T126-K134 PolarHBondContact N-O 3.46Å; T126-K134 PolarHBondContact O-N 3.21Å; T126-W136 PolarHBondContact OG1-NE1 2.54Å; T126-W136 VanDerWaalsContact OG1-NE1 3.09Å
127	V	95	Very high	92.5	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	132.1	179.3	172.6	0	0	0	0	109.1	V112 R113 G114 V133 Y159 I162	V112-V127 CarbonylContact C-O 3.48Å; R113-V127 PolarHBondContact N-O 3.06Å; G114-V127 PolarHBondContact N-O 3.38Å; G114-V127 PolarHBondContact O-N 3.36Å; V127-V133 HydrophobicContact CG2-CB 4.41Å; V127-V133 HydrophobicContact CG2-CG1 4.06Å; V127-V133 HydrophobicContact CG2-CG2 4.03Å; V127-Y159 HydrophobicContact CG1-CD2 4.43Å; V127-Y159 HydrophobicContact CG1-CG 4.25Å; V127-Y159 WeakPolarHBondContact CG1-O 3.43Å; V127-I162 HydrophobicContact CB-CG2 4.39Å; V127-I162 HydrophobicContact CG2-CB 3.71Å; V127-I162 HydrophobicContact CG2-CD1 3.68Å; V127-I162 HydrophobicContact CG2-CG1 4.28Å; V127-I162 HydrophobicContact CG2-CG2 3.83Å
128	G	92.6	Very high	92.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	174.2	-177.2	0	0	0	0	0	115.5	F111 D130 K131 T132	F111-G128 WeakPolarHBondContact O-CA 3.42Å; G128-D130 PolarHBondContact O-N 2.86Å; G128-K131 PolarHBondContact O-N 2.99Å; G128-T132 PolarHBondContact N-O 2.96Å
129	D	90.4	Very high	91.6	Very high	50 Å²	50	32.9 Å²	32.9	27%	0.267	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-16	177.3	-79.4	0.8	0	0	0	113.3	F111 R113 K131	F111-D129 PolarHBondContact O-N 3.42Å; R113-D129 VanDerWaalsContact CG-OD1 3.31Å; R113-D129 WeakPolarHBondContact CG-OD1 3.41Å; R113-D129 IonicContact CZ-OD1 3.56Å; R113-D129 IonicContact CZ-OD2 2.96Å; R113-D129 IonicContact NE-OD1 2.97Å; R113-D129 PolarHBondContact NE-OD1 3.05Å; R113-D129 IonicContact NE-OD2 3.32Å; R113-D129 IonicContact NH2-OD1 3.97Å; R113-D129 PolarHBondContact NH2-OD1 3.26Å; R113-D129 IonicContact NH2-OD2 2.71Å; R113-D129 PolarHBondContact NH2-OD2 3.47Å; D129-K131 PolarHBondContact O-N 2.85Å; D129-K131 VanDerWaalsContact O-N 3.09Å
130	D	91.2	Very high	90.9	Very high	48 Å²	48	31.9 Å²	31.9	26%	0.257	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	5.6	173	66.5	4.3	0	0	0	113.8	H108 G128 T132	H108-D130 IonicContact CE1-OD1 2.98Å; H108-D130 IonicContact CE1-OD2 2.66Å; H108-D130 IonicContact CG-OD1 3.51Å; H108-D130 IonicContact CG-OD2 3.57Å; H108-D130 IonicContact ND1-OD1 2.73Å; H108-D130 PolarHBondContact ND1-OD1 3.41Å; H108-D130 IonicContact ND1-OD2 3.44Å; H108-D130 PolarHBondContact ND1-OD2 2.82Å; G128-D130 PolarHBondContact O-N 2.86Å; D130-T132 PolarHBondContact O-N 2.93Å; D130-T132 WeakPolarHBondContact OD1-CB 3.41Å; D130-T132 PolarHBondContact OD1-N 3.24Å; D130-T132 PolarHBondContact OD1-OG1 3.5Å; D130-T132 PolarHBondContact OD2-OG1 3.39Å; D130-T132 VanDerWaalsContact OD2-OG1 3.07Å
131	K	92	Very high	90.2	Very high	92 Å²	92	33.3 Å²	33.3	40%	0.4	18%	0.183	S	C	.	.	S	Bend	trans	63.8	17.7	-178.9	-48.5	175.5	-177.7	179.2	0	113.3	G128 D129 G155 V158	G128-K131 PolarHBondContact O-N 2.99Å; D129-K131 PolarHBondContact O-N 2.85Å; D129-K131 VanDerWaalsContact O-N 3.09Å; K131-G155 WeakPolarHBondContact O-CA 3.42Å; K131-G155 PolarHBondContact O-N 2.8Å; K131-V158 HydrophobicContact CG-CG2 3.81Å
132	T	93.4	Very high	89.3	Confident	11 Å²	11	34.8 Å²	34.8	7%	0.067	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	145.9	178.3	71.3	0	0	0	0	112	H108 G128 D130 K134 T152 I153 L154	H108-T132 PolarHBondContact CE1-OG1 3.07Å; H108-T132 VanDerWaalsContact CE1-OG1 3.22Å; H108-T132 PolarHBondContact ND1-OG1 2.92Å; G128-T132 PolarHBondContact N-O 2.96Å; D130-T132 PolarHBondContact O-N 2.93Å; D130-T132 WeakPolarHBondContact OD1-CB 3.41Å; D130-T132 PolarHBondContact OD1-N 3.24Å; D130-T132 PolarHBondContact OD1-OG1 3.5Å; D130-T132 PolarHBondContact OD2-OG1 3.39Å; D130-T132 VanDerWaalsContact OD2-OG1 3.07Å; T132-K134 WeakPolarHBondContact OG1-CE 3.36Å; T132-T152 HydrophobicContact CG2-CG2 4.37Å; T132-I153 CarbonylContact C-O 3.55Å; T132-I153 WeakPolarHBondContact CA-O 3.39Å; T132-L154 HydrophobicContact CG2-CD2 3.83Å; T132-L154 HydrophobicContact CG2-CG 4.38Å
133	V	94.7	Very high	88.1	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.012	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	119.3	162.4	-174.1	0	0	0	0	106.7	F125 T126 V127 T152 I153 Y159 I162 F171 T173	F125-V133 HydrophobicContact CD1-CG1 4.31Å; T126-V133 WeakPolarHBondContact O-CA 3.36Å; V127-V133 HydrophobicContact CG2-CB 4.41Å; V127-V133 HydrophobicContact CG2-CG1 4.06Å; V127-V133 HydrophobicContact CG2-CG2 4.03Å; V133-T152 WeakPolarHBondContact O-CA 3.4Å; V133-I153 HydrophobicContact CB-CB 4.21Å; V133-I153 PolarHBondContact N-O 3.46Å; V133-I153 PolarHBondContact O-N 2.96Å; V133-Y159 HydrophobicContact CG2-CD2 3.73Å; V133-Y159 HydrophobicContact CG2-CE2 3.65Å; V133-Y159 HydrophobicContact CG2-CG 4.49Å; V133-I162 HydrophobicContact CG1-CD1 3.95Å; V133-F171 HydrophobicContact CG1-CE2 4.23Å; V133-T173 HydrophobicContact CG2-CG2 4.12Å
134	K	94.3	Very high	86.7	Confident	41 Å²	41	46.5 Å²	46.5	18%	0.178	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	134	179.4	-66.9	-178.8	-175.1	178.2	0	110.4	A107 F125 T126 T132 W136 P149 T152	A107-K134 VanDerWaalsContact O-CD 3.25Å; A107-K134 WeakPolarHBondContact O-CD 3.23Å; A107-K134 WeakPolarHBondContact O-CE 3.37Å; A107-K134 PolarHBondContact O-NZ 3.16Å; F125-K134 CarbonylContact C-O 3.6Å; F125-K134 WeakPolarHBondContact CA-O 3.35Å; T126-K134 PolarHBondContact N-O 3.46Å; T126-K134 PolarHBondContact O-N 3.21Å; T132-K134 WeakPolarHBondContact OG1-CE 3.36Å; K134-W136 HydrophobicContact CB-CZ2 4.19Å; K134-W136 HydrophobicContact CD-CZ2 3.79Å; K134-P149 HydrophobicContact CB-CB 4.15Å; K134-P149 HydrophobicContact CD-CB 4.44Å; K134-P149 HydrophobicContact CD-CG 4.4Å; K134-P149 HydrophobicContact CG-CB 4.39Å; K134-T152 HydrophobicContact CG-CG2 4.05Å
135	Q	94.1	Very high	85.7	Confident	21 Å²	21	52.9 Å²	52.9	10%	0.098	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	129.9	173.4	-172.8	178.4	-3.8	0	0	109.8	S123 F124 F125 P149 L150 H151	S123-Q135 PolarHBondContact OG-NE2 2.68Å; F124-Q135 WeakPolarHBondContact O-CA 3.46Å; F125-Q135 HydrophobicContact CD1-CB 3.8Å; F125-Q135 HydrophobicContact CD1-CG 3.99Å; F125-Q135 HydrophobicContact CE1-CB 3.54Å; F125-Q135 HydrophobicContact CE1-CG 3.46Å; F125-Q135 VanDerWaalsContact CE1-CG 3.46Å; F125-Q135 HydrophobicContact CE2-CG 4.5Å; F125-Q135 HydrophobicContact CZ-CB 4.33Å; F125-Q135 HydrophobicContact CZ-CG 3.74Å; Q135-P149 CarbonylContact O-C 3.33Å; Q135-P149 WeakPolarHBondContact O-CA 3.43Å; Q135-L150 HydrophobicContact CG-CB 4.46Å; Q135-L150 HydrophobicContact CG-CD1 4.45Å; Q135-L150 PolarHBondContact O-N 2.91Å; Q135-H151 HydrophobicContact CB-CB 4.15Å; Q135-H151 PolarHBondContact N-O 3.02Å
136	W	93.2	Very high	84.6	Confident	11 Å²	11	60.8 Å²	60.8	4%	0.042	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	147.5	-177.1	-60	94.2	0	0	0	110.6	I105 A107 S123 F124 T126 K134 P149	I105-W136 HydrophobicContact CG2-CD2 4.14Å; I105-W136 HydrophobicContact CG2-CE3 3.93Å; I105-W136 HydrophobicContact CG2-CH2 3.69Å; I105-W136 HydrophobicContact CG2-CZ2 3.92Å; I105-W136 HydrophobicContact CG2-CZ3 3.69Å; A107-W136 HydrophobicContact CB-CZ2 4.05Å; S123-W136 CarbonylContact C-O 3.56Å; S123-W136 WeakPolarHBondContact CA-O 3.39Å; S123-W136 WeakPolarHBondContact CB-O 3.4Å; F124-W136 HydrophobicContact CD1-CB 3.75Å; F124-W136 HydrophobicContact CD2-CB 4.18Å; F124-W136 HydrophobicContact CE1-CB 3.29Å; F124-W136 HydrophobicContact CE1-CG 4.22Å; F124-W136 HydrophobicContact CE2-CB 3.71Å; F124-W136 AromaticContact CE2-CD1 3.63Å; F124-W136 AromaticContact CE2-CG 3.83Å; F124-W136 HydrophobicContact CE2-CG 3.83Å; F124-W136 HydrophobicContact CG-CB 4.22Å; F124-W136 HydrophobicContact CZ-CB 3.26Å; F124-W136 AromaticContact CZ-CD1 3.99Å; F124-W136 AromaticContact CZ-CG 3.7Å; F124-W136 HydrophobicContact CZ-CG 3.7Å; F124-W136 PolarHBondContact N-O 2.82Å; F124-W136 PolarHBondContact O-N 3.29Å; T126-W136 PolarHBondContact OG1-NE1 2.54Å; T126-W136 VanDerWaalsContact OG1-NE1 3.09Å; K134-W136 HydrophobicContact CB-CZ2 4.19Å; K134-W136 HydrophobicContact CD-CZ2 3.79Å; W136-P149 HydrophobicContact CD2-CB 4.29Å; W136-P149 HydrophobicContact CE3-CB 4.26Å; W136-P149 HydrophobicContact CH2-CB 4.03Å; W136-P149 HydrophobicContact CH2-CG 4.27Å; W136-P149 HydrophobicContact CZ2-CB 4.04Å; W136-P149 HydrophobicContact CZ3-CB 4.14Å
137	K	91.4	Very high	83.7	Confident	111 Å²	111	64.1 Å²	64.1	48%	0.483	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	140.1	173.2	-161.8	179.8	178.1	-173.3	0	110.4	R103 D139 L150	R103-K137 PolarHBondContact NH2-O 3.21Å; K137-D139 HydrophobicContact CD-CB 4.32Å; K137-D139 WeakPolarHBondContact CE-OD2 3.28Å; K137-D139 HydrophobicContact CG-CB 4.38Å; K137-L150 HydrophobicContact CB-CD1 4.09Å; K137-L150 HydrophobicContact CB-CG 4.5Å
138	M	86.9	Confident	83.1	Confident	21 Å²	21	71.2 Å²	71.2	10%	0.103	38%	0.375	C	S	.	.	S	Bend	trans	-76.2	-23.5	177.9	-73.1	-67.2	-87.3	0	0	113.4	H75 T81 L83 R103 T117 G121 T122 F124	H75-M138 HydrophobicContact CB-CE 4.45Å; H75-M138 WeakPolarHBondContact CD2-CE 3.08Å; T81-M138 HydrophobicContact CG2-CE 4.08Å; L83-M138 HydrophobicContact CD1-CE 4.19Å; L83-M138 HydrophobicContact CD1-SD 4.07Å; L83-M138 HydrophobicContact CD2-CE 4.26Å; L83-M138 HydrophobicContact CD2-SD 4.17Å; L83-M138 HydrophobicContact CG-CE 4.35Å; R103-M138 PolarHBondContact NH2-O 3.32Å; T117-M138 HydrophobicContact CG2-CE 4.31Å; G121-M138 WeakPolarHBondContact O-CG 3.29Å; T122-M138 WeakPolarHBondContact O-CB 3.28Å; T122-M138 PolarHBondContact O-N 3.49Å; F124-M138 HydrophobicContact CB-SD 3.93Å; F124-M138 HydrophobicContact CD1-CG 4.01Å; F124-M138 HydrophobicContact CD1-SD 3.21Å; F124-M138 WeakPolarHBondContact CD1-SD 3.28Å; F124-M138 HydrophobicContact CE1-SD 3.94Å; F124-M138 HydrophobicContact CG-SD 3.89Å
139	D	82.8	Confident	82.9	Confident	101 Å²	101	73.2 Å²	73.2	54%	0.54	39%	0.388	S	S	.	.	S	Bend	trans	-78	147.8	169.7	-57.3	-41	0	0	0	110.3	R103 K137	R103-D139 VanDerWaalsContact CZ-O 3.27Å; R103-D139 PolarHBondContact NH1-O 2.73Å; R103-D139 VanDerWaalsContact NH1-O 3.08Å; R103-D139 PolarHBondContact NH2-O 3.18Å; R103-D139 VanDerWaalsContact NH2-O 3.14Å; K137-D139 HydrophobicContact CD-CB 4.32Å; K137-D139 WeakPolarHBondContact CE-OD2 3.28Å; K137-D139 HydrophobicContact CG-CB 4.38Å
140	G	72.8	Confident	82.7	Confident	42 Å²	42	76 Å²	76	43%	0.433	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-61.3	154.6	172.3	0	0	0	0	0	112.1
141	P	74	Confident	82.6	Confident	58 Å²	58	76.1 Å²	76.1	38%	0.377	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-59.3	156.8	169.2	30.2	-38.4	0	0	0	110.2	E145 E147	P141-E145 HydrophobicContact CB-CB 4.1Å; P141-E147 HydrophobicContact CB-CG 4.14Å; P141-E147 WeakPolarHBondContact CD-OE1 3.32Å; P141-E147 HydrophobicContact CG-CG 3.58Å
142	G	68.4	Low	82.6	Confident	37 Å²	37	74.5 Å²	74.5	38%	0.381	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-58.3	155.9	165.7	0	0	0	0	0	110.4	G144 E145	G142-G144 PolarHBondContact O-N 3.4Å; G142-E145 PolarHBondContact N-OE2 3.19Å; G142-E145 VanDerWaalsContact N-OE2 3.12Å; G142-E145 PolarHBondContact O-N 2.8Å; G142-E145 VanDerWaalsContact O-N 3.15Å
143	Y	64.9	Low	82.5	Confident	248 Å²	248	74.3 Å²	74.3	97%	0.973	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	113.7	177.9	-173.1	-89.3	0	0	0	110.2
144	G	62.9	Low	82.3	Confident	80 Å²	80	80.9 Å²	80.9	83%	0.825	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.9	4.6	178.2	0	0	0	0	0	116.3	G142	G142-G144 PolarHBondContact O-N 3.4Å
145	E	74.6	Confident	81.9	Confident	134 Å²	134	79.6 Å²	79.6	63%	0.626	43%	0.431	S	S	*	.			trans	-90.7	138.6	171.8	-67.9	175.2	164.3	0	0	111.2	P141 G142	P141-E145 HydrophobicContact CB-CB 4.1Å; G142-E145 PolarHBondContact N-OE2 3.19Å; G142-E145 VanDerWaalsContact N-OE2 3.12Å; G142-E145 PolarHBondContact O-N 2.8Å; G142-E145 VanDerWaalsContact O-N 3.15Å
146	E	71.3	Confident	81.5	Confident	168 Å²	168	88 Å²	88	79%	0.785	47%	0.467	S	S	*	.			trans	-71	140.5	170.8	-65.3	-171.4	168.6	0	0	110.2	E148	E146-E148 PolarHBondContact O-N 2.75Å
147	E	76.2	Confident	81.3	Confident	70 Å²	70	89.5 Å²	89.5	33%	0.327	48%	0.477	S	S	.	.			trans	-77.8	94.4	179.2	-75	-170.5	137.7	0	0	110.3	R103 I105 P141	R103-E147 IonicContact CZ-OE1 3.62Å; R103-E147 IonicContact NH1-OE1 3.8Å; R103-E147 PolarHBondContact NH1-OE1 2.96Å; I105-E147 WeakPolarHBondContact CG1-OE2 3.29Å; P141-E147 HydrophobicContact CB-CG 4.14Å; P141-E147 WeakPolarHBondContact CD-OE1 3.32Å; P141-E147 HydrophobicContact CG-CG 3.58Å
148	E	82.6	Confident	81.2	Confident	150 Å²	150	86.9 Å²	86.9	70%	0.701	47%	0.47	S	S	*	.			trans	-96.9	146.1	171.5	-65.2	-172.3	161.4	0	0	111.9	E146	E146-E148 PolarHBondContact O-N 2.75Å
149	P	88.2	Confident	81.5	Confident	41 Å²	41	86.2 Å²	86.2	27%	0.266	47%	0.467	S	S	.	.			trans	-67.6	137.4	172.4	28.8	-33.5	0	0	0	110.3	K134 Q135 W136 H151 T152	K134-P149 HydrophobicContact CB-CB 4.15Å; K134-P149 HydrophobicContact CD-CB 4.44Å; K134-P149 HydrophobicContact CD-CG 4.4Å; K134-P149 HydrophobicContact CG-CB 4.39Å; Q135-P149 CarbonylContact O-C 3.33Å; Q135-P149 WeakPolarHBondContact O-CA 3.43Å; W136-P149 HydrophobicContact CD2-CB 4.29Å; W136-P149 HydrophobicContact CE3-CB 4.26Å; W136-P149 HydrophobicContact CH2-CB 4.03Å; W136-P149 HydrophobicContact CH2-CG 4.27Å; W136-P149 HydrophobicContact CZ2-CB 4.04Å; W136-P149 HydrophobicContact CZ3-CB 4.14Å; P149-H151 VanDerWaalsContact C-N 3.27Å; P149-H151 PolarHBondContact O-N 2.84Å; P149-T152 VanDerWaalsContact CG-OG1 3.31Å; P149-T152 WeakPolarHBondContact CG-OG1 3.45Å
150	L	87.6	Confident	81.9	Confident	109 Å²	109	83.2 Å²	83.2	57%	0.571	45%	0.452	S	S	*	.	S	Bend	trans	-59.9	-40.3	176.1	-69.3	173.9	0	0	0	111.9	Q135 K137	Q135-L150 HydrophobicContact CG-CB 4.46Å; Q135-L150 HydrophobicContact CG-CD1 4.45Å; Q135-L150 PolarHBondContact O-N 2.91Å; K137-L150 HydrophobicContact CB-CD1 4.09Å; K137-L150 HydrophobicContact CB-CG 4.5Å
151	H	88.4	Confident	82.8	Confident	51 Å²	51	81.6 Å²	81.6	24%	0.236	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	137.9	-179.8	-171.9	-115.9	0	0	0	109.3	Q135 P149 I153 T186	Q135-H151 HydrophobicContact CB-CB 4.15Å; Q135-H151 PolarHBondContact N-O 3.02Å; P149-H151 VanDerWaalsContact C-N 3.27Å; P149-H151 PolarHBondContact O-N 2.84Å; H151-I153 WeakPolarHBondContact CE1-CG1 3.5Å; H151-I153 WeakPolarHBondContact ND1-CG1 3.28Å; H151-T186 WeakPolarHBondContact NE2-CG2 3.42Å
152	T	92.6	Very high	83.9	Confident	58 Å²	58	79 Å²	79	36%	0.356	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	119.9	176.7	-60.4	0	0	0	0	108.9	T132 V133 K134 P149	T132-T152 HydrophobicContact CG2-CG2 4.37Å; V133-T152 WeakPolarHBondContact O-CA 3.4Å; K134-T152 HydrophobicContact CG-CG2 4.05Å; P149-T152 VanDerWaalsContact CG-OG1 3.31Å; P149-T152 WeakPolarHBondContact CG-OG1 3.45Å
153	I	91.6	Very high	85.2	Confident	6 Å²	6	78.1 Å²	78.1	3%	0.031	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	122.8	176.1	-57.2	167.9	0	0	0	107.9	T132 V133 H151 F171 W181	T132-I153 CarbonylContact C-O 3.55Å; T132-I153 WeakPolarHBondContact CA-O 3.39Å; V133-I153 HydrophobicContact CB-CB 4.21Å; V133-I153 PolarHBondContact N-O 3.46Å; V133-I153 PolarHBondContact O-N 2.96Å; H151-I153 WeakPolarHBondContact CE1-CG1 3.5Å; H151-I153 WeakPolarHBondContact ND1-CG1 3.28Å; I153-F171 HydrophobicContact CD1-CZ 3.83Å; I153-W181 HydrophobicContact CD1-CE3 4.16Å; I153-W181 HydrophobicContact CD1-CZ3 4.49Å; I153-W181 HydrophobicContact CG2-CE3 4.31Å; I153-W181 HydrophobicContact CG2-CH2 3.81Å; I153-W181 HydrophobicContact CG2-CZ3 3.61Å
154	L	90.4	Very high	86.6	Confident	140 Å²	140	66.6 Å²	66.6	73%	0.733	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	115.3	175.5	-78.9	145.2	0	0	0	109.8	T132	T132-L154 HydrophobicContact CG2-CD2 3.83Å; T132-L154 HydrophobicContact CG2-CG 4.38Å
155	G	85.1	Confident	88.2	Confident	15 Å²	15	62.9 Å²	62.9	16%	0.155	32%	0.321	C	S	.	.			trans	-85.5	154.3	173.6	0	0	0	0	0	112.7	K131 Y159	K131-G155 WeakPolarHBondContact O-CA 3.42Å; K131-G155 PolarHBondContact O-N 2.8Å; G155-Y159 VanDerWaalsContact CA-OH 3.27Å; G155-Y159 WeakPolarHBondContact CA-OH 3.23Å
156	K	86	Confident	89	Confident	197 Å²	197	62.2 Å²	62.2	86%	0.857	31%	0.313	S	S	*	.	S	Bend	trans	-74.2	-36.1	170.9	-64	-179.8	-177.9	176.3	0	111.5
157	T	88.5	Confident	90	Very high	42 Å²	42	61 Å²	61	26%	0.258	31%	0.305	S	S	.	.	S	Bend	trans	-112.6	162.4	-177.7	55.3	0	0	0	0	111.2	Q176	T157-Q176 HydrophobicContact CG2-CB 4.43Å
158	V	90.1	Very high	90.8	Very high	57 Å²	57	61.8 Å²	61.8	35%	0.345	31%	0.309	S	S	.	.			trans	-68.9	137	170.6	-179.2	0	0	0	0	109	K131 G175	K131-V158 HydrophobicContact CG-CG2 3.81Å; V158-G175 WeakPolarHBondContact O-CA 3.38Å
159	Y	91.6	Very high	91.3	Very high	6 Å²	6	56 Å²	56	2%	0.024	29%	0.287	C	S	.	.			trans	-98.6	133.7	173.2	-59.6	-70.7	0	0	0	109.5	V127 V133 G155 T173 C174 W181	V127-Y159 HydrophobicContact CG1-CD2 4.43Å; V127-Y159 HydrophobicContact CG1-CG 4.25Å; V127-Y159 WeakPolarHBondContact CG1-O 3.43Å; V133-Y159 HydrophobicContact CG2-CD2 3.73Å; V133-Y159 HydrophobicContact CG2-CE2 3.65Å; V133-Y159 HydrophobicContact CG2-CG 4.49Å; G155-Y159 VanDerWaalsContact CA-OH 3.27Å; G155-Y159 WeakPolarHBondContact CA-OH 3.23Å; Y159-T173 WeakPolarHBondContact CE1-OG1 3.46Å; Y159-C174 CarbonylContact C-O 3.55Å; Y159-C174 WeakPolarHBondContact CA-O 3.36Å; Y159-C174 WeakPolarHBondContact CB-O 3.27Å; Y159-W181 HydrophobicContact CE1-CZ2 4.5Å; Y159-W181 WeakPolarHBondContact OH-CZ2 3.27Å
160	T	91.9	Very high	91.6	Very high	39 Å²	39	54.8 Å²	54.8	24%	0.239	28%	0.278	C	S	.	.			trans	-99.3	-18.2	-176	52.6	0	0	0	0	113.1	C174 I199	T160-C174 PolarHBondContact N-O 3.46Å; T160-C174 PolarHBondContact OG1-O 3.32Å; T160-C174 PolarHBondContact OG1-SG 2.86Å; T160-I199 WeakPolarHBondContact CB-O 3.46Å; T160-I199 PolarHBondContact OG1-O 2.81Å
161	G	92.5	Very high	91.9	Very high	8 Å²	8	49.6 Å²	49.6	8%	0.082	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	161.2	-177.4	0	0	0	0	0	113	C174	G161-C174 WeakPolarHBondContact O-CB 3.26Å; G161-C174 PolarHBondContact O-N 2.88Å
162	I	95.6	Very high	92.2	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.015	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	147.8	178.4	-171.7	163.7	0	0	0	110.1	C116 F125 V127 V133 F171 A172 T173 K203	C116-I162 HydrophobicContact CB-CG1 4.49Å; C116-I162 HydrophobicContact CB-CG2 4.08Å; F125-I162 HydrophobicContact CB-CD1 3.58Å; F125-I162 HydrophobicContact CG-CD1 4.3Å; V127-I162 HydrophobicContact CB-CG2 4.39Å; V127-I162 HydrophobicContact CG2-CB 3.71Å; V127-I162 HydrophobicContact CG2-CD1 3.68Å; V127-I162 HydrophobicContact CG2-CG1 4.28Å; V127-I162 HydrophobicContact CG2-CG2 3.83Å; V133-I162 HydrophobicContact CG1-CD1 3.95Å; I162-F171 HydrophobicContact CD1-CD2 3.81Å; I162-F171 HydrophobicContact CD1-CE2 4.21Å; I162-F171 HydrophobicContact CG1-CD2 4.23Å; I162-A172 WeakPolarHBondContact CA-O 3.3Å; I162-T173 HydrophobicContact CD1-CG2 4.09Å; I162-T173 HydrophobicContact CG1-CG2 4.21Å; I162-K203 PolarHBondContact O-NZ 2.68Å
163	D	96.1	Very high	92.3	Very high	19 Å²	19	44.4 Å²	44.4	10%	0.102	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	154.7	166.5	-153	43.6	0	0	0	111.4	F171 A172 V202 K203 F204	D163-F171 WeakPolarHBondContact O-CA 3.5Å; D163-F171 WeakPolarHBondContact O-CB 3.43Å; D163-A172 PolarHBondContact N-O 3.24Å; D163-A172 PolarHBondContact O-N 2.9Å; D163-V202 WeakPolarHBondContact CB-O 3.45Å; D163-K203 IonicContact OD1-NZ 2.68Å; D163-K203 PolarHBondContact OD1-NZ 3.32Å; D163-K203 WeakPolarHBondContact OD2-CA 3.22Å; D163-F204 HydrophobicContact CB-CD2 4Å; D163-F204 WeakPolarHBondContact O-CE2 3.38Å; D163-F204 PolarHBondContact OD2-N 2.92Å
164	H	95.3	Very high	92.3	Very high	6 Å²	6	44.1 Å²	44.1	3%	0.028	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	143.4	-176.2	-161.2	-66.3	0	0	0	110.4	C116 F119 F125 E168 V170 E183 F204	C116-H164 HydrophobicContact CB-CB 4.48Å; C116-H164 WeakPolarHBondContact SG-CB 3.43Å; C116-H164 PolarHBondContact SG-N 3.23Å; F119-H164 AromaticContact CD1-CE1 3.5Å; F119-H164 AromaticContact CD1-ND1 3.94Å; F125-H164 AromaticContact CD2-CD2 3.93Å; F125-H164 AromaticContact CE2-CD2 3.64Å; F125-H164 AromaticContact CE2-NE2 3.9Å; H164-E168 PolarHBondContact CE1-O 2.95Å; H164-V170 PolarHBondContact CE1-O 2.84Å; H164-V170 PolarHBondContact ND1-O 2.84Å; H164-E183 IonicContact CE1-OE1 3.87Å; H164-E183 IonicContact NE2-OE1 3.05Å; H164-E183 PolarHBondContact NE2-OE1 2.82Å; H164-E183 VanDerWaalsContact NE2-OE1 3.12Å; H164-F204 VanDerWaalsContact C-CD2 3.42Å; H164-F204 WeakPolarHBondContact O-CD2 3.42Å
165	H	95.2	Very high	92.2	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.009	19%	0.189	C	C	.	.			trans	-65.2	144.9	172.6	-171.4	-109.3	0	0	0	110.7	K167 E168 V170 F204 T209	H165-K167 VanDerWaalsContact C-N 3.35Å; H165-K167 PolarHBondContact ND1-N 2.98Å; H165-K167 PolarHBondContact O-N 2.89Å; H165-E168 WeakPolarHBondContact ND1-CB 3.5Å; H165-E168 PolarHBondContact ND1-N 2.88Å; H165-V170 HydrophobicContact CB-CB 4.2Å; H165-V170 WeakPolarHBondContact CB-O 3.04Å; H165-V170 PolarHBondContact N-O 3.06Å; H165-F204 HydrophobicContact CB-CZ 4.44Å; H165-T209 PolarHBondContact CD2-O 2.87Å; H165-T209 PolarHBondContact CE1-OG1 2.85Å; H165-T209 VanDerWaalsContact CE1-OG1 3.28Å; H165-T209 WeakPolarHBondContact NE2-CB 3.45Å; H165-T209 PolarHBondContact NE2-O 2.98Å; H165-T209 VanDerWaalsContact NE2-O 3.08Å; H165-T209 PolarHBondContact NE2-OG1 3.45Å
166	W	91.9	Very high	92.4	Very high	119 Å²	119	41.4 Å²	41.4	45%	0.451	20%	0.202	S	C	.	.	S	Bend	trans	-78.4	-14.9	-171.8	-72.5	81.5	0	0	0	114.6	F119 P206 T209	F119-W166 WeakPolarHBondContact CB-O 3.18Å; W166-P206 HydrophobicContact CD2-CB 4.01Å; W166-P206 HydrophobicContact CG-CB 4.43Å; W166-P206 HydrophobicContact CH2-CB 4.37Å; W166-P206 HydrophobicContact CZ2-CB 3.84Å; W166-T209 HydrophobicContact CB-CG2 4.01Å
167	K	92.6	Very high	92.6	Very high	142 Å²	142	34.7 Å²	34.7	62%	0.617	17%	0.174	S	C	*	.	S	Bend	trans	-128.1	-31.8	-175.1	-69.7	177.3	-177.1	172.1	0	115.2	F119 H165 T209	F119-K167 WeakPolarHBondContact CE2-O 3.45Å; H165-K167 VanDerWaalsContact C-N 3.35Å; H165-K167 PolarHBondContact ND1-N 2.98Å; H165-K167 PolarHBondContact O-N 2.89Å; K167-T209 HydrophobicContact CD-CG2 3.96Å; K167-T209 HydrophobicContact CG-CG2 4.14Å
168	E	93.1	Very high	92.7	Very high	88 Å²	88	32.7 Å²	32.7	41%	0.411	16%	0.162	S	C	.	.	S	Bend	trans	-113.2	160.3	-171.6	-62.1	177.6	176	0	0	109.4	F119 H164 H165 V170	F119-E168 WeakPolarHBondContact CD1-O 3.3Å; F119-E168 WeakPolarHBondContact CE1-O 3.3Å; H164-E168 PolarHBondContact CE1-O 2.95Å; H165-E168 WeakPolarHBondContact ND1-CB 3.5Å; H165-E168 PolarHBondContact ND1-N 2.88Å; E168-V170 HydrophobicContact CB-CG2 4.24Å; E168-V170 PolarHBondContact O-N 2.81Å
169	A	92.8	Very high	92.8	Very high	28 Å²	28	30.4 Å²	30.4	23%	0.231	15%	0.147	C	C	.	.	S	Bend	trans	-74.6	45.3	177.4	0	0	0	0	0	112.6	F119 E183	F119-A169 HydrophobicContact CE1-CB 4.5Å; A169-E183 HydrophobicContact CB-CG 4.31Å; A169-E183 VanDerWaalsContact CB-OE2 3.27Å; A169-E183 WeakPolarHBondContact CB-OE2 3.41Å; A169-E183 WeakPolarHBondContact O-CG 3.26Å; A169-E183 PolarHBondContact O-N 2.8Å
170	V	94.3	Very high	92.9	Very high	16 Å²	16	30.3 Å²	30.3	10%	0.097	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	138.1	-175.8	177.2	0	0	0	0	108.5	H164 H165 E168 I180 W181 M226	H164-V170 PolarHBondContact CE1-O 2.84Å; H164-V170 PolarHBondContact ND1-O 2.84Å; H165-V170 HydrophobicContact CB-CB 4.2Å; H165-V170 WeakPolarHBondContact CB-O 3.04Å; H165-V170 PolarHBondContact N-O 3.06Å; E168-V170 HydrophobicContact CB-CG2 4.24Å; E168-V170 PolarHBondContact O-N 2.81Å; V170-I180 HydrophobicContact CG1-CG2 3.77Å; V170-W181 VanDerWaalsContact CA-O 3.29Å; V170-W181 WeakPolarHBondContact CA-O 3.29Å; V170-W181 WeakPolarHBondContact CG1-O 3.47Å; V170-M226 HydrophobicContact CG1-CE 3.61Å
171	F	94.8	Very high	93	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	155.5	174.2	65.7	-88	0	0	0	110.7	F125 V133 I153 I162 D163 T173 W181 E183	F125-F171 HydrophobicContact CE1-CD1 4.37Å; F125-F171 HydrophobicContact CE1-CE1 4.05Å; F125-F171 HydrophobicContact CE1-CZ 4.46Å; F125-F171 HydrophobicContact CZ-CD1 4.26Å; F125-F171 HydrophobicContact CZ-CE1 4.29Å; V133-F171 HydrophobicContact CG1-CE2 4.23Å; I153-F171 HydrophobicContact CD1-CZ 3.83Å; I162-F171 HydrophobicContact CD1-CD2 3.81Å; I162-F171 HydrophobicContact CD1-CE2 4.21Å; I162-F171 HydrophobicContact CG1-CD2 4.23Å; D163-F171 WeakPolarHBondContact O-CA 3.5Å; D163-F171 WeakPolarHBondContact O-CB 3.43Å; F171-T173 HydrophobicContact CD2-CG2 3.86Å; F171-T173 HydrophobicContact CE2-CG2 3.71Å; F171-W181 HydrophobicContact CD1-CB 3.95Å; F171-W181 HydrophobicContact CD2-CB 3.9Å; F171-W181 AromaticContact CD2-CD1 3.97Å; F171-W181 HydrophobicContact CD2-CG 4.13Å; F171-W181 HydrophobicContact CE1-CB 3.5Å; F171-W181 HydrophobicContact CE1-CG 4.38Å; F171-W181 HydrophobicContact CE2-CB 3.46Å; F171-W181 VanDerWaalsContact CE2-CB 3.46Å; F171-W181 AromaticContact CE2-CD1 3.59Å; F171-W181 HydrophobicContact CE2-CD2 4.3Å; F171-W181 AromaticContact CE2-CG 3.49Å; F171-W181 HydrophobicContact CE2-CG 3.49Å; F171-W181 VanDerWaalsContact CE2-CG 3.49Å; F171-W181 HydrophobicContact CG-CB 4.13Å; F171-W181 HydrophobicContact CZ-CB 3.24Å; F171-W181 HydrophobicContact CZ-CD2 4.32Å; F171-W181 AromaticContact CZ-CG 3.64Å; F171-W181 HydrophobicContact CZ-CG 3.64Å; F171-W181 PolarHBondContact N-O 3.48Å; F171-W181 PolarHBondContact O-N 2.85Å; F171-E183 HydrophobicContact CD1-CG 4.07Å; F171-E183 HydrophobicContact CE1-CG 4.21Å
172	A	94.5	Very high	93	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	131.3	178.3	0	0	0	0	0	109	I162 D163 D179 V202 F204	I162-A172 WeakPolarHBondContact CA-O 3.3Å; D163-A172 PolarHBondContact N-O 3.24Å; D163-A172 PolarHBondContact O-N 2.9Å; A172-D179 CarbonylContact C-O 3.51Å; A172-D179 WeakPolarHBondContact CA-O 3.44Å; A172-V202 HydrophobicContact CB-CG1 3.86Å; A172-F204 HydrophobicContact CB-CE2 3.53Å; A172-F204 HydrophobicContact CB-CZ 3.63Å
173	T	94.3	Very high	92.6	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	156.7	170.7	66.6	0	0	0	0	110.2	V133 Y159 I162 F171 V178 D179 W181	V133-T173 HydrophobicContact CG2-CG2 4.12Å; Y159-T173 WeakPolarHBondContact CE1-OG1 3.46Å; I162-T173 HydrophobicContact CD1-CG2 4.09Å; I162-T173 HydrophobicContact CG1-CG2 4.21Å; F171-T173 HydrophobicContact CD2-CG2 3.86Å; F171-T173 HydrophobicContact CE2-CG2 3.71Å; T173-V178 WeakPolarHBondContact O-CA 3.45Å; T173-D179 PolarHBondContact N-O 3.47Å; T173-D179 PolarHBondContact O-N 2.92Å; T173-D179 VanDerWaalsContact O-N 3.07Å; T173-W181 PolarHBondContact OG1-NE1 3.37Å
174	C	91.7	Very high	92.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	133.2	-174.6	-177.6	0	0	0	0	108.1	Y159 T160 G161 I199 V202	Y159-C174 CarbonylContact C-O 3.55Å; Y159-C174 WeakPolarHBondContact CA-O 3.36Å; Y159-C174 WeakPolarHBondContact CB-O 3.27Å; T160-C174 PolarHBondContact N-O 3.46Å; T160-C174 PolarHBondContact OG1-O 3.32Å; T160-C174 PolarHBondContact OG1-SG 2.86Å; G161-C174 WeakPolarHBondContact O-CB 3.26Å; G161-C174 PolarHBondContact O-N 2.88Å; C174-I199 WeakPolarHBondContact SG-CB 3.5Å; C174-I199 WeakPolarHBondContact SG-CG2 3.41Å; C174-I199 PolarHBondContact SG-O 3.45Å; C174-V202 HydrophobicContact CB-CB 4.19Å; C174-V202 HydrophobicContact CB-CG2 3.55Å
175	G	88.5	Confident	91.9	Very high	4 Å²	4	44.8 Å²	44.8	4%	0.041	20%	0.204	C	C	.	.	S	Bend	trans	-159.7	-117.2	173.6	0	0	0	0	0	109.2	V158 Q177 I199	V158-G175 WeakPolarHBondContact O-CA 3.38Å; G175-Q177 VanDerWaalsContact C-N 3.29Å; G175-Q177 PolarHBondContact N-O 3.35Å; G175-Q177 VanDerWaalsContact N-O 3.1Å; G175-I199 PolarHBondContact O-N 2.66Å
176	Q	88.6	Confident	91.5	Very high	93 Å²	93	48.8 Å²	48.8	44%	0.435	23%	0.229	S	C	.	.	S	Bend	trans	-70.3	-31.2	167.6	-169.4	171.2	21.5	0	0	111.9	T157 D197	T157-Q176 HydrophobicContact CG2-CB 4.43Å; Q176-D197 PolarHBondContact NE2-OD1 2.74Å
177	Q	90	Very high	91.4	Very high	57 Å²	57	48.7 Å²	48.7	27%	0.266	24%	0.237	S	C	.	.	S	Bend	trans	-132.9	169	178.2	65.9	-173.1	4.5	0	0	110.5	G175 D179 S191 T193	G175-Q177 VanDerWaalsContact C-N 3.29Å; G175-Q177 PolarHBondContact N-O 3.35Å; G175-Q177 VanDerWaalsContact N-O 3.1Å; Q177-D179 VanDerWaalsContact CD-OD1 3.32Å; Q177-D179 WeakPolarHBondContact CG-OD1 3.15Å; Q177-D179 PolarHBondContact NE2-OD1 3.2Å; Q177-D179 PolarHBondContact NE2-OD2 2.94Å; Q177-S191 PolarHBondContact NE2-OG 3.4Å; Q177-T193 HydrophobicContact CB-CG2 3.55Å; Q177-T193 HydrophobicContact CG-CG2 4.44Å
178	V	91.9	Very high	91.3	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	115	169.1	176.1	0	0	0	0	108	T173 M192 I199 V202 L212 Y224	T173-V178 WeakPolarHBondContact O-CA 3.45Å; V178-M192 HydrophobicContact CB-CE 4.44Å; V178-M192 HydrophobicContact CG1-CE 3.96Å; V178-M192 PolarHBondContact N-O 3.09Å; V178-M192 PolarHBondContact O-N 3.12Å; V178-I199 HydrophobicContact CG2-CD1 3.56Å; V178-I199 HydrophobicContact CG2-CG2 4.44Å; V178-V202 HydrophobicContact CG1-CG2 4.47Å; V178-V202 HydrophobicContact CG2-CG2 3.9Å; V178-L212 HydrophobicContact CG1-CD1 3.79Å; V178-Y224 HydrophobicContact CB-CE1 4.35Å; V178-Y224 HydrophobicContact CG2-CE1 4.27Å; V178-Y224 HydrophobicContact CG2-CE2 4.01Å; V178-Y224 WeakPolarHBondContact CG2-OH 3.37Å
179	D	92.5	Very high	91.1	Very high	8 Å²	8	43.8 Å²	43.8	4%	0.043	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	131.5	177.5	-70.2	-39	0	0	0	109.9	A172 T173 Q177 W181 P188 S191	A172-D179 CarbonylContact C-O 3.51Å; A172-D179 WeakPolarHBondContact CA-O 3.44Å; T173-D179 PolarHBondContact N-O 3.47Å; T173-D179 PolarHBondContact O-N 2.92Å; T173-D179 VanDerWaalsContact O-N 3.07Å; Q177-D179 VanDerWaalsContact CD-OD1 3.32Å; Q177-D179 WeakPolarHBondContact CG-OD1 3.15Å; Q177-D179 PolarHBondContact NE2-OD1 3.2Å; Q177-D179 PolarHBondContact NE2-OD2 2.94Å; D179-W181 HydrophobicContact CB-CZ2 4.05Å; D179-W181 VanDerWaalsContact CB-NE1 3.27Å; D179-W181 VanDerWaalsContact O-CD1 3.27Å; D179-W181 PolarHBondContact O-NE1 2.93Å; D179-P188 HydrophobicContact CB-CB 4.12Å; D179-S191 WeakPolarHBondContact OD1-CA 3.1Å; D179-S191 WeakPolarHBondContact OD1-CB 3.23Å; D179-S191 PolarHBondContact OD1-OG 3.27Å
180	I	93.6	Very high	90.9	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.021	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	130.3	176.1	-69.3	159.8	0	0	0	108.4	V170 P188 I189 C190 M192 M226	V170-I180 HydrophobicContact CG1-CG2 3.77Å; I180-P188 CarbonylContact O-C 3.59Å; I180-P188 WeakPolarHBondContact O-CA 3.45Å; I180-I189 HydrophobicContact CG2-CB 4.25Å; I180-I189 HydrophobicContact CG2-CD1 4.11Å; I180-I189 HydrophobicContact CG2-CG1 4.48Å; I180-I189 PolarHBondContact O-N 2.99Å; I180-C190 HydrophobicContact CB-CB 4.29Å; I180-C190 HydrophobicContact CD1-CB 4.04Å; I180-C190 PolarHBondContact N-O 3.44Å; I180-M192 HydrophobicContact CD1-CE 3.42Å; I180-M192 VanDerWaalsContact CD1-CE 3.42Å; I180-M192 HydrophobicContact CD1-SD 4.26Å; I180-M192 HydrophobicContact CG1-CE 4.1Å; I180-M226 HydrophobicContact CB-CE 4.12Å; I180-M226 HydrophobicContact CB-SD 4.45Å; I180-M226 HydrophobicContact CD1-CE 3.64Å; I180-M226 HydrophobicContact CD1-SD 3.18Å; I180-M226 WeakPolarHBondContact CD1-SD 3.44Å; I180-M226 HydrophobicContact CG1-CE 3.78Å; I180-M226 HydrophobicContact CG1-SD 3.48Å; I180-M226 WeakPolarHBondContact CG1-SD 3.42Å; I180-M226 HydrophobicContact CG2-CE 3.24Å; I180-M226 HydrophobicContact CG2-SD 4.16Å
181	W	93.4	Very high	90.6	Very high	9 Å²	9	45.7 Å²	45.7	3%	0.034	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	142	-175.2	-57.8	82.6	0	0	0	111.1	I153 Y159 V170 F171 T173 D179 T186 N187 P188	I153-W181 HydrophobicContact CD1-CE3 4.16Å; I153-W181 HydrophobicContact CD1-CZ3 4.49Å; I153-W181 HydrophobicContact CG2-CE3 4.31Å; I153-W181 HydrophobicContact CG2-CH2 3.81Å; I153-W181 HydrophobicContact CG2-CZ3 3.61Å; Y159-W181 HydrophobicContact CE1-CZ2 4.5Å; Y159-W181 WeakPolarHBondContact OH-CZ2 3.27Å; V170-W181 VanDerWaalsContact CA-O 3.29Å; V170-W181 WeakPolarHBondContact CA-O 3.29Å; V170-W181 WeakPolarHBondContact CG1-O 3.47Å; F171-W181 HydrophobicContact CD1-CB 3.95Å; F171-W181 HydrophobicContact CD2-CB 3.9Å; F171-W181 AromaticContact CD2-CD1 3.97Å; F171-W181 HydrophobicContact CD2-CG 4.13Å; F171-W181 HydrophobicContact CE1-CB 3.5Å; F171-W181 HydrophobicContact CE1-CG 4.38Å; F171-W181 HydrophobicContact CE2-CB 3.46Å; F171-W181 VanDerWaalsContact CE2-CB 3.46Å; F171-W181 AromaticContact CE2-CD1 3.59Å; F171-W181 HydrophobicContact CE2-CD2 4.3Å; F171-W181 AromaticContact CE2-CG 3.49Å; F171-W181 HydrophobicContact CE2-CG 3.49Å; F171-W181 VanDerWaalsContact CE2-CG 3.49Å; F171-W181 HydrophobicContact CG-CB 4.13Å; F171-W181 HydrophobicContact CZ-CB 3.24Å; F171-W181 HydrophobicContact CZ-CD2 4.32Å; F171-W181 AromaticContact CZ-CG 3.64Å; F171-W181 HydrophobicContact CZ-CG 3.64Å; F171-W181 PolarHBondContact N-O 3.48Å; F171-W181 PolarHBondContact O-N 2.85Å; T173-W181 PolarHBondContact OG1-NE1 3.37Å; D179-W181 HydrophobicContact CB-CZ2 4.05Å; D179-W181 VanDerWaalsContact CB-NE1 3.27Å; D179-W181 VanDerWaalsContact O-CD1 3.27Å; D179-W181 PolarHBondContact O-NE1 2.93Å; W181-T186 WeakPolarHBondContact CZ3-O 3.38Å; W181-N187 VanDerWaalsContact CZ3-C 3.5Å; W181-P188 HydrophobicContact CD2-CB 4.06Å; W181-P188 HydrophobicContact CE3-CB 4.18Å; W181-P188 HydrophobicContact CH2-CB 4.11Å; W181-P188 HydrophobicContact CH2-CG 4.1Å; W181-P188 HydrophobicContact CZ2-CB 3.97Å; W181-P188 HydrophobicContact CZ2-CG 4.24Å; W181-P188 HydrophobicContact CZ3-CB 4.21Å; W181-P188 HydrophobicContact CZ3-CG 4.4Å; W181-P188 VanDerWaalsContact CZ3-N 3.33Å
182	D	92.3	Very high	90.2	Very high	37 Å²	37	45.8 Å²	45.8	20%	0.198	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	141.3	159.4	-166.6	-3.3	0	0	0	107.2	Q184 R185 I189	D182-Q184 PolarHBondContact O-N 3.2Å; D182-R185 HydrophobicContact CB-CB 4.2Å; D182-R185 HydrophobicContact CB-CG 4.03Å; D182-R185 PolarHBondContact O-N 3.08Å; D182-R185 VanDerWaalsContact O-N 3.13Å; D182-I189 HydrophobicContact CB-CD1 3.75Å; D182-I189 HydrophobicContact CB-CG1 4.03Å
183	E	87.6	Confident	89.7	Confident	18 Å²	18	50 Å²	50	8%	0.084	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-27	-179.3	-65.9	173.4	151.7	0	0	113.5	R118 F125 H164 A169 F171 R185	R118-E183 VanDerWaalsContact CD-OE1 3.28Å; R118-E183 WeakPolarHBondContact CD-OE1 3.4Å; R118-E183 IonicContact CZ-OE1 3.52Å; R118-E183 IonicContact CZ-OE2 3.33Å; R118-E183 IonicContact NE-OE1 2.68Å; R118-E183 PolarHBondContact NE-OE1 2.82Å; R118-E183 IonicContact NE-OE2 3.67Å; R118-E183 IonicContact NH1-OE1 3.85Å; R118-E183 PolarHBondContact NH1-OE1 2.98Å; R118-E183 IonicContact NH1-OE2 3.2Å; R118-E183 PolarHBondContact NH1-OE2 3.24Å; R118-E183 IonicContact NH2-OE1 3.46Å; R118-E183 IonicContact NH2-OE2 2.71Å; R118-E183 PolarHBondContact NH2-OE2 2.97Å; F125-E183 HydrophobicContact CE2-CG 4.45Å; F125-E183 HydrophobicContact CZ-CG 3.8Å; H164-E183 IonicContact CE1-OE1 3.87Å; H164-E183 IonicContact NE2-OE1 3.05Å; H164-E183 PolarHBondContact NE2-OE1 2.82Å; H164-E183 VanDerWaalsContact NE2-OE1 3.12Å; A169-E183 HydrophobicContact CB-CG 4.31Å; A169-E183 VanDerWaalsContact CB-OE2 3.27Å; A169-E183 WeakPolarHBondContact CB-OE2 3.41Å; A169-E183 WeakPolarHBondContact O-CG 3.26Å; A169-E183 PolarHBondContact O-N 2.8Å; F171-E183 HydrophobicContact CD1-CG 4.07Å; F171-E183 HydrophobicContact CE1-CG 4.21Å; E183-R185 VanDerWaalsContact C-N 3.31Å
184	Q	88	Confident	88.7	Confident	176 Å²	176	53.5 Å²	53.5	82%	0.822	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-14.8	179.4	-61.1	-166	-15.2	0	0	113	D182	D182-Q184 PolarHBondContact O-N 3.2Å
185	R	88.9	Confident	87.8	Confident	140 Å²	140	57.1 Å²	57.1	53%	0.528	31%	0.311	S	S	.	.			trans	-104.8	140.8	-173	-64.6	-176	178.9	-170.3	-0.7	110.9	D182 E183	D182-R185 HydrophobicContact CB-CB 4.2Å; D182-R185 HydrophobicContact CB-CG 4.03Å; D182-R185 PolarHBondContact O-N 3.08Å; D182-R185 VanDerWaalsContact O-N 3.13Å; E183-R185 VanDerWaalsContact C-N 3.31Å
186	T	86.8	Confident	86.8	Confident	86 Å²	86	58.9 Å²	58.9	53%	0.528	32%	0.318	S	S	.	.	S	Bend	trans	-86.3	-11.7	172.8	50.6	0	0	0	0	113.4	H151 W181	H151-T186 WeakPolarHBondContact NE2-CG2 3.42Å; W181-T186 WeakPolarHBondContact CZ3-O 3.38Å
187	N	88.4	Confident	85.5	Confident	117 Å²	117	60.2 Å²	60.2	63%	0.626	33%	0.328	S	S	*	.	S	Bend	trans	-113.2	147.8	176.1	-69.1	-45.9	0	0	0	109.8	W181	W181-N187 VanDerWaalsContact CZ3-C 3.5Å
188	P	90.4	Very high	85.4	Confident	44 Å²	44	59.7 Å²	59.7	29%	0.286	33%	0.33	S	S	.	.			trans	-66.4	144.5	178.3	28.4	-32.5	0	0	0	110.4	D179 I180 W181	D179-P188 HydrophobicContact CB-CB 4.12Å; I180-P188 CarbonylContact O-C 3.59Å; I180-P188 WeakPolarHBondContact O-CA 3.45Å; W181-P188 HydrophobicContact CD2-CB 4.06Å; W181-P188 HydrophobicContact CE3-CB 4.18Å; W181-P188 HydrophobicContact CH2-CB 4.11Å; W181-P188 HydrophobicContact CH2-CG 4.1Å; W181-P188 HydrophobicContact CZ2-CB 3.97Å; W181-P188 HydrophobicContact CZ2-CG 4.24Å; W181-P188 HydrophobicContact CZ3-CB 4.21Å; W181-P188 HydrophobicContact CZ3-CG 4.4Å; W181-P188 VanDerWaalsContact CZ3-N 3.33Å
189	I	89.8	Confident	85.4	Confident	83 Å²	83	60.1 Å²	60.1	43%	0.426	33%	0.332	S	S	.	.	S	Bend	trans	-67.8	-44.5	172.7	-50.5	176.7	0	0	0	109.6	I180 D182	I180-I189 HydrophobicContact CG2-CB 4.25Å; I180-I189 HydrophobicContact CG2-CD1 4.11Å; I180-I189 HydrophobicContact CG2-CG1 4.48Å; I180-I189 PolarHBondContact O-N 2.99Å; D182-I189 HydrophobicContact CB-CD1 3.75Å; D182-I189 HydrophobicContact CB-CG1 4.03Å
190	C	87.9	Confident	85.2	Confident	30 Å²	30	61.7 Å²	61.7	20%	0.203	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	138.4	-174.9	-175.2	0	0	0	0	109.8	I180	I180-C190 HydrophobicContact CB-CB 4.29Å; I180-C190 HydrophobicContact CD1-CB 4.04Å; I180-C190 PolarHBondContact N-O 3.44Å
191	S	89.2	Confident	85.2	Confident	53 Å²	53	62.1 Å²	62.1	37%	0.371	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	115.9	175	-66.6	0	0	0	0	108.6	Q177 D179	Q177-S191 PolarHBondContact NE2-OG 3.4Å; D179-S191 WeakPolarHBondContact OD1-CA 3.1Å; D179-S191 WeakPolarHBondContact OD1-CB 3.23Å; D179-S191 PolarHBondContact OD1-OG 3.27Å
192	M	86.8	Confident	85.3	Confident	2 Å²	2	61.7 Å²	61.7	1%	0.01	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	118.3	-176.9	-63.4	-179.1	-67.8	0	0	110.3	V178 I180 L212 Y224	V178-M192 HydrophobicContact CB-CE 4.44Å; V178-M192 HydrophobicContact CG1-CE 3.96Å; V178-M192 PolarHBondContact N-O 3.09Å; V178-M192 PolarHBondContact O-N 3.12Å; I180-M192 HydrophobicContact CD1-CE 3.42Å; I180-M192 VanDerWaalsContact CD1-CE 3.42Å; I180-M192 HydrophobicContact CD1-SD 4.26Å; I180-M192 HydrophobicContact CG1-CE 4.1Å; M192-L212 HydrophobicContact CE-CD1 4.34Å; M192-L212 HydrophobicContact CE-CD2 4.48Å; M192-Y224 HydrophobicContact CB-CD1 3.9Å; M192-Y224 HydrophobicContact CB-CE1 3.87Å; M192-Y224 HydrophobicContact CE-CD1 3.48Å; M192-Y224 VanDerWaalsContact CE-CD1 3.48Å; M192-Y224 HydrophobicContact CE-CE1 4.27Å; M192-Y224 HydrophobicContact CE-CG 3.76Å; M192-Y224 HydrophobicContact CG-CD1 4.35Å; M192-Y224 HydrophobicContact SD-CD1 3.55Å; M192-Y224 VanDerWaalsContact SD-CD1 3.55Å; M192-Y224 HydrophobicContact SD-CE1 4.46Å; M192-Y224 HydrophobicContact SD-CG 4.16Å
193	T	83.3	Confident	85.5	Confident	88 Å²	88	62.4 Å²	62.4	54%	0.54	35%	0.347	S	S	.	.			trans	-118.4	146.7	179.9	54.5	0	0	0	0	111.6	Q177	Q177-T193 HydrophobicContact CB-CG2 3.55Å; Q177-T193 HydrophobicContact CG-CG2 4.44Å
194	W	72.8	Confident	85.9	Confident	74 Å²	74	61.8 Å²	61.8	28%	0.28	34%	0.344	S	S	.	.			trans	-127	13.3	172.5	-144.9	-54.5	0	0	0	111.8	F196 V222 P231 K234	W194-F196 HydrophobicContact CB-CD2 3.92Å; W194-F196 HydrophobicContact CB-CE2 3.66Å; W194-F196 AromaticContact CG-CE2 3.98Å; W194-F196 HydrophobicContact CG-CE2 3.98Å; W194-V222 HydrophobicContact CE3-CG1 3.5Å; W194-V222 VanDerWaalsContact CE3-CG1 3.5Å; W194-V222 HydrophobicContact CZ3-CG1 3.8Å; W194-P231 HydrophobicContact CD2-CB 4.42Å; W194-P231 HydrophobicContact CD2-CG 3.76Å; W194-P231 HydrophobicContact CE3-CB 3.24Å; W194-P231 HydrophobicContact CE3-CG 2.97Å; W194-P231 HydrophobicContact CH2-CB 4.11Å; W194-P231 HydrophobicContact CH2-CG 3.75Å; W194-P231 WeakPolarHBondContact CH2-O 3.49Å; W194-P231 HydrophobicContact CZ2-CG 4.42Å; W194-P231 VanDerWaalsContact CZ3-C 3.46Å; W194-P231 HydrophobicContact CZ3-CB 3.09Å; W194-P231 HydrophobicContact CZ3-CG 3.04Å; W194-K234 HydrophobicContact CD2-CD 4.41Å
195	G	72.4	Confident	86.3	Confident	77 Å²	77	53.4 Å²	53.4	79%	0.794	31%	0.305	S	S	*	.	S	Bend	trans	79.9	26.2	179.2	0	0	0	0	0	115.3
196	F	67.3	Low	86.5	Confident	41 Å²	41	48.1 Å²	48.1	18%	0.18	29%	0.289	C	S	.	.			trans	-107.1	155.9	173	-52	-59.9	0	0	0	110.6	W194 A216 D218 N220 K234	W194-F196 HydrophobicContact CB-CD2 3.92Å; W194-F196 HydrophobicContact CB-CE2 3.66Å; W194-F196 AromaticContact CG-CE2 3.98Å; W194-F196 HydrophobicContact CG-CE2 3.98Å; F196-A216 HydrophobicContact CD2-CB 4.48Å; F196-D218 HydrophobicContact CD1-CB 4.16Å; F196-D218 VanDerWaalsContact CD1-OD2 3.25Å; F196-D218 WeakPolarHBondContact CD1-OD2 3.43Å; F196-N220 WeakPolarHBondContact CE1-ND2 3.14Å; F196-N220 HydrophobicContact CE2-CB 4.47Å; F196-N220 WeakPolarHBondContact CZ-ND2 3.34Å; F196-K234 HydrophobicContact CZ-CD 4.3Å
197	D	62.4	Low	86.9	Confident	120 Å²	120	46.7 Å²	46.7	64%	0.642	28%	0.28	S	S	*	.	S	Bend	trans	-93.2	-20.3	-170.8	-137.4	10.6	0	0	0	113.6	Q176	Q176-D197 PolarHBondContact NE2-OD1 2.74Å
198	S	87.1	Confident	87.2	Confident	46 Å²	46	45.4 Å²	45.4	32%	0.322	27%	0.271	S	S	.	.			trans	-154.8	134	174.8	58.9	0	0	0	0	114.5	S217	S198-S217 PolarHBondContact O-N 2.84Å; S198-S217 VanDerWaalsContact OG-CB 3.26Å; S198-S217 WeakPolarHBondContact OG-CB 3.28Å
199	I	91.9	Very high	87.3	Confident	9 Å²	9	43.6 Å²	43.6	5%	0.046	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	133.3	173.4	-52.6	178.3	0	0	0	106.6	T160 C174 G175 V178 V202 C215	T160-I199 WeakPolarHBondContact CB-O 3.46Å; T160-I199 PolarHBondContact OG1-O 2.81Å; C174-I199 WeakPolarHBondContact SG-CB 3.5Å; C174-I199 WeakPolarHBondContact SG-CG2 3.41Å; C174-I199 PolarHBondContact SG-O 3.45Å; G175-I199 PolarHBondContact O-N 2.66Å; V178-I199 HydrophobicContact CG2-CD1 3.56Å; V178-I199 HydrophobicContact CG2-CG2 4.44Å; I199-V202 HydrophobicContact CG2-CG2 4.47Å; I199-C215 CarbonylContact C-O 3.46Å; I199-C215 WeakPolarHBondContact CA-O 3.48Å; I199-C215 WeakPolarHBondContact CG2-O 3.48Å
200	S	89.9	Confident	87.5	Confident	41 Å²	41	42.8 Å²	42.8	29%	0.287	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-38.7	-173.1	55.6	0	0	0	0	113	C215 T241 N242	S200-C215 PolarHBondContact N-O 2.83Å; S200-C215 WeakPolarHBondContact OG-CB 3.4Å; S200-C215 PolarHBondContact OG-O 3.33Å; S200-C215 VanDerWaalsContact OG-O 3.07Å; S200-T241 PolarHBondContact OG-O 3.09Å; S200-N242 PolarHBondContact OG-O 2.73Å
201	S	92.8	Very high	87.8	Confident	14 Å²	14	42.3 Å²	42.3	10%	0.098	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	150.6	-177.6	62.3	0	0	0	0	112.1	S214 C215 N242 T243	S201-S214 CarbonylContact O-C 3.57Å; S201-S214 WeakPolarHBondContact O-CA 3.14Å; S201-S214 WeakPolarHBondContact O-CB 3.12Å; S201-C215 PolarHBondContact O-N 3.05Å; S201-C215 WeakPolarHBondContact OG-CB 3.35Å; S201-C215 PolarHBondContact OG-SG 3.45Å; S201-N242 PolarHBondContact OG-O 3.5Å; S201-T243 WeakPolarHBondContact OG-CA 3.45Å
202	V	94.8	Very high	88.1	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	138.7	173.3	169.9	0	0	0	0	108.9	D163 A172 C174 V178 I199 L212 G213	D163-V202 WeakPolarHBondContact CB-O 3.45Å; A172-V202 HydrophobicContact CB-CG1 3.86Å; C174-V202 HydrophobicContact CB-CB 4.19Å; C174-V202 HydrophobicContact CB-CG2 3.55Å; V178-V202 HydrophobicContact CG1-CG2 4.47Å; V178-V202 HydrophobicContact CG2-CG2 3.9Å; I199-V202 HydrophobicContact CG2-CG2 4.47Å; V202-L212 HydrophobicContact CG1-CD1 4.16Å; V202-G213 WeakPolarHBondContact CA-O 3.48Å
203	K	96.4	Very high	88.4	Confident	52 Å²	52	39.8 Å²	39.8	23%	0.226	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	130.7	173	-70.6	-71	156.5	-107.8	0	112	I162 D163 L212 G213 I244 W246	I162-K203 PolarHBondContact O-NZ 2.68Å; D163-K203 IonicContact OD1-NZ 2.68Å; D163-K203 PolarHBondContact OD1-NZ 3.32Å; D163-K203 WeakPolarHBondContact OD2-CA 3.22Å; K203-L212 WeakPolarHBondContact O-CA 3.18Å; K203-G213 PolarHBondContact N-O 2.68Å; K203-G213 PolarHBondContact O-N 2.68Å; K203-I244 VanDerWaalsContact CG-O 3.29Å; K203-I244 WeakPolarHBondContact CG-O 3.41Å; K203-W246 PolarHBondContact O-NE1 3.48Å
204	F	96.4	Very high	88.9	Confident	4 Å²	4	35.6 Å²	35.6	2%	0.018	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	146.6	168.7	-79.4	-76.1	0	0	0	111.1	D163 H164 H165 A172 T209 L212 M226 W246	D163-F204 HydrophobicContact CB-CD2 4Å; D163-F204 WeakPolarHBondContact O-CE2 3.38Å; D163-F204 PolarHBondContact OD2-N 2.92Å; H164-F204 VanDerWaalsContact C-CD2 3.42Å; H164-F204 WeakPolarHBondContact O-CD2 3.42Å; H165-F204 HydrophobicContact CB-CZ 4.44Å; A172-F204 HydrophobicContact CB-CE2 3.53Å; A172-F204 HydrophobicContact CB-CZ 3.63Å; F204-T209 WeakPolarHBondContact CD1-O 3.36Å; F204-L212 HydrophobicContact CD1-CB 4.02Å; F204-L212 HydrophobicContact CE1-CB 4.18Å; F204-L212 HydrophobicContact CE1-CD2 4.06Å; F204-M226 HydrophobicContact CE1-CG 4.11Å; F204-M226 HydrophobicContact CE1-SD 3.92Å; F204-M226 HydrophobicContact CZ-SD 4.2Å; F204-W246 VanDerWaalsContact O-CD1 3.29Å
205	N	96.4	Very high	89.9	Confident	0 Å²	0	32 Å²	32	0%	0	19%	0.191	C	C	.	.			trans	-75.7	125.3	170.6	-177.3	-14.2	0	0	0	109.9	V207 E208 T209 L211 W246 A251	N205-V207 VanDerWaalsContact C-N 3.33Å; N205-V207 PolarHBondContact O-N 2.89Å; N205-V207 PolarHBondContact OD1-N 3.42Å; N205-E208 WeakPolarHBondContact CB-O 3.33Å; N205-E208 PolarHBondContact OD1-N 2.92Å; N205-T209 WeakPolarHBondContact O-CA 3.35Å; N205-L211 HydrophobicContact CB-CB 4.09Å; N205-L211 WeakPolarHBondContact CB-O 3.36Å; N205-L211 PolarHBondContact N-O 3.2Å; N205-W246 HydrophobicContact CB-CD2 3.82Å; N205-W246 HydrophobicContact CB-CE3 4.16Å; N205-W246 HydrophobicContact CB-CG 4.02Å; N205-A251 PolarHBondContact ND2-O 3.4Å
206	P	93.4	Very high	90.9	Very high	30 Å²	30	28.4 Å²	28.4	20%	0.195	15%	0.153	C	C	.	.	S	Bend	trans	-68.4	-28.1	179.7	26.7	-35.6	0	0	0	114.2	W166 W246 P248	W166-P206 HydrophobicContact CD2-CB 4.01Å; W166-P206 HydrophobicContact CG-CB 4.43Å; W166-P206 HydrophobicContact CH2-CB 4.37Å; W166-P206 HydrophobicContact CZ2-CB 3.84Å; P206-W246 HydrophobicContact CG-CB 4.4Å; P206-P248 HydrophobicContact CG-CB 4.15Å
207	V	95.3	Very high	91.9	Very high	56 Å²	56	28.5 Å²	28.5	34%	0.339	16%	0.159	S	C	.	.	S	Bend	trans	-90.6	-58.2	-176.7	-174.5	0	0	0	0	110.4	N205 T209 P248 A251	N205-V207 VanDerWaalsContact C-N 3.33Å; N205-V207 PolarHBondContact O-N 2.89Å; N205-V207 PolarHBondContact OD1-N 3.42Å; V207-T209 PolarHBondContact O-N 2.83Å; V207-P248 WeakPolarHBondContact CG2-O 3.46Å; V207-A251 HydrophobicContact CB-CB 3.69Å; V207-A251 HydrophobicContact CG1-CB 3.72Å; V207-A251 HydrophobicContact CG2-CB 4.42Å
208	E	94.9	Very high	93.1	Very high	90 Å²	90	26.3 Å²	26.3	42%	0.421	15%	0.147	S	C	.	.	S	Bend	trans	-96.7	84.9	176.6	-74.8	-66.4	157.2	0	0	109.8	N205 F210 L211 R227 A251	N205-E208 WeakPolarHBondContact CB-O 3.33Å; N205-E208 PolarHBondContact OD1-N 2.92Å; E208-F210 VanDerWaalsContact C-N 3.26Å; E208-F210 PolarHBondContact O-N 3.35Å; E208-F210 VanDerWaalsContact O-N 3.1Å; E208-L211 HydrophobicContact CB-CD1 3.91Å; E208-L211 HydrophobicContact CB-CG 4.37Å; E208-L211 PolarHBondContact O-N 3.43Å; E208-R227 IonicContact OE2-NH2 3.51Å; E208-A251 HydrophobicContact CB-CB 4.35Å; E208-A251 HydrophobicContact CG-CB 3.7Å
209	T	93.3	Very high	93.3	Very high	6 Å²	6	29.2 Å²	29.2	4%	0.037	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-27.2	-160.2	63	0	0	0	0	114.8	H165 W166 K167 F204 N205 V207 L211	H165-T209 PolarHBondContact CD2-O 2.87Å; H165-T209 PolarHBondContact CE1-OG1 2.85Å; H165-T209 VanDerWaalsContact CE1-OG1 3.28Å; H165-T209 WeakPolarHBondContact NE2-CB 3.45Å; H165-T209 PolarHBondContact NE2-O 2.98Å; H165-T209 VanDerWaalsContact NE2-O 3.08Å; H165-T209 PolarHBondContact NE2-OG1 3.45Å; W166-T209 HydrophobicContact CB-CG2 4.01Å; K167-T209 HydrophobicContact CD-CG2 3.96Å; K167-T209 HydrophobicContact CG-CG2 4.14Å; F204-T209 WeakPolarHBondContact CD1-O 3.36Å; N205-T209 WeakPolarHBondContact O-CA 3.35Å; V207-T209 PolarHBondContact O-N 2.83Å; T209-L211 VanDerWaalsContact C-N 3.25Å; T209-L211 PolarHBondContact O-N 2.71Å
210	F	93.4	Very high	93.3	Very high	66 Å²	66	29 Å²	29	29%	0.289	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-6.2	177.4	-61.8	-69.8	0	0	0	114.5	E208 M226 R227	E208-F210 VanDerWaalsContact C-N 3.26Å; E208-F210 PolarHBondContact O-N 3.35Å; E208-F210 VanDerWaalsContact O-N 3.1Å; F210-M226 HydrophobicContact CB-CB 4.2Å; F210-M226 HydrophobicContact CD1-CB 4.12Å; F210-M226 WeakPolarHBondContact O-CB 3.46Å; F210-M226 WeakPolarHBondContact O-CG 3.49Å; F210-M226 PolarHBondContact O-N 3Å; F210-R227 HydrophobicContact CB-CG 4.33Å; F210-R227 HydrophobicContact CG-CG 4.35Å
211	L	94.6	Very high	93.5	Very high	20 Å²	20	27.1 Å²	27.1	11%	0.105	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	137.8	175.8	-67.6	175.1	0	0	0	110.7	N205 E208 T209 D225 L232 M268	N205-L211 HydrophobicContact CB-CB 4.09Å; N205-L211 WeakPolarHBondContact CB-O 3.36Å; N205-L211 PolarHBondContact N-O 3.2Å; E208-L211 HydrophobicContact CB-CD1 3.91Å; E208-L211 HydrophobicContact CB-CG 4.37Å; E208-L211 PolarHBondContact O-N 3.43Å; T209-L211 VanDerWaalsContact C-N 3.25Å; T209-L211 PolarHBondContact O-N 2.71Å; L211-D225 HydrophobicContact CD2-CB 3.98Å; L211-L232 HydrophobicContact CD2-CD1 3.91Å; L211-M268 HydrophobicContact CD1-CE 3.81Å; L211-M268 HydrophobicContact CD1-SD 3.66Å; L211-M268 HydrophobicContact CD2-CE 3.67Å; L211-M268 HydrophobicContact CG-CE 4.34Å
212	L	94.1	Very high	93.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	151.1	171.7	61	132.1	0	0	0	111.1	V178 M192 V202 K203 F204 Y224 M226	V178-L212 HydrophobicContact CG1-CD1 3.79Å; M192-L212 HydrophobicContact CE-CD1 4.34Å; M192-L212 HydrophobicContact CE-CD2 4.48Å; V202-L212 HydrophobicContact CG1-CD1 4.16Å; K203-L212 WeakPolarHBondContact O-CA 3.18Å; F204-L212 HydrophobicContact CD1-CB 4.02Å; F204-L212 HydrophobicContact CE1-CB 4.18Å; F204-L212 HydrophobicContact CE1-CD2 4.06Å; L212-Y224 HydrophobicContact CD1-CD2 3.41Å; L212-Y224 VanDerWaalsContact CD1-CD2 3.41Å; L212-Y224 HydrophobicContact CD1-CE2 4.18Å; L212-Y224 HydrophobicContact CD1-CG 3.78Å; L212-Y224 HydrophobicContact CG-CD2 3.88Å; L212-Y224 HydrophobicContact CG-CG 4.11Å; L212-Y224 PolarHBondContact N-O 3.16Å; L212-Y224 PolarHBondContact O-N 3.47Å; L212-M226 HydrophobicContact CD2-CG 3.7Å; L212-M226 HydrophobicContact CD2-SD 3.5Å; L212-M226 WeakPolarHBondContact CD2-SD 3.48Å
213	G	94.3	Very high	93.5	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.01	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	139.4	171.7	0	0	0	0	0	109.8	V202 K203 V222	V202-G213 WeakPolarHBondContact CA-O 3.48Å; K203-G213 PolarHBondContact N-O 2.68Å; K203-G213 PolarHBondContact O-N 2.68Å; G213-V222 CarbonylContact C-O 3.51Å; G213-V222 WeakPolarHBondContact CA-O 3.35Å
214	S	94	Very high	93.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	152	170.5	85.3	0	0	0	0	111.9	S201 I221 V222 Y224	S201-S214 CarbonylContact O-C 3.57Å; S201-S214 WeakPolarHBondContact O-CA 3.14Å; S201-S214 WeakPolarHBondContact O-CB 3.12Å; S214-I221 WeakPolarHBondContact O-CA 3.32Å; S214-V222 PolarHBondContact N-O 3.09Å; S214-V222 PolarHBondContact O-N 3Å; S214-Y224 WeakPolarHBondContact OG-CE2 3.42Å; S214-Y224 PolarHBondContact OG-OH 2.77Å
215	C	93.5	Very high	93.2	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	127.7	169	-67.8	0	0	0	0	109.3	I199 S200 S201 T241 I244	I199-C215 CarbonylContact C-O 3.46Å; I199-C215 WeakPolarHBondContact CA-O 3.48Å; I199-C215 WeakPolarHBondContact CG2-O 3.48Å; S200-C215 PolarHBondContact N-O 2.83Å; S200-C215 WeakPolarHBondContact OG-CB 3.4Å; S200-C215 PolarHBondContact OG-O 3.33Å; S200-C215 VanDerWaalsContact OG-O 3.07Å; S201-C215 PolarHBondContact O-N 3.05Å; S201-C215 WeakPolarHBondContact OG-CB 3.35Å; S201-C215 PolarHBondContact OG-SG 3.45Å; C215-T241 WeakPolarHBondContact CB-O 3.47Å; C215-T241 PolarHBondContact SG-OG1 2.89Å; C215-I244 WeakPolarHBondContact SG-CD1 3.41Å; C215-I244 WeakPolarHBondContact SG-CG1 3.35Å
216	A	92.2	Very high	92.9	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.008	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	150.4	170.2	0	0	0	0	0	111.3	F196 D218 R219 N220	F196-A216 HydrophobicContact CD2-CB 4.48Å; A216-D218 PolarHBondContact O-N 3.19Å; A216-R219 PolarHBondContact O-N 3.09Å; A216-N220 HydrophobicContact CB-CB 4.01Å; A216-N220 PolarHBondContact N-O 3.25Å
217	S	88.3	Confident	92.7	Very high	42 Å²	42	32.8 Å²	32.8	29%	0.294	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-29.5	173	-167.1	0	0	0	0	111.8	S198 R219 R240	S198-S217 PolarHBondContact O-N 2.84Å; S198-S217 VanDerWaalsContact OG-CB 3.26Å; S198-S217 WeakPolarHBondContact OG-CB 3.28Å; S217-R219 PolarHBondContact O-N 3.28Å; S217-R240 WeakPolarHBondContact O-CB 3.26Å
218	D	87.6	Confident	92.4	Very high	74 Å²	74	34.5 Å²	34.5	40%	0.396	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	26.2	179.7	-64.5	-23.5	0	0	0	114.5	F196 A216 N220	F196-D218 HydrophobicContact CD1-CB 4.16Å; F196-D218 VanDerWaalsContact CD1-OD2 3.25Å; F196-D218 WeakPolarHBondContact CD1-OD2 3.43Å; A216-D218 PolarHBondContact O-N 3.19Å; D218-N220 PolarHBondContact O-N 3.22Å; D218-N220 PolarHBondContact O-ND2 3.12Å; D218-N220 PolarHBondContact O-OD1 2.83Å
219	R	91.8	Very high	91.7	Very high	108 Å²	108	33.9 Å²	33.9	41%	0.408	17%	0.169	S	C	.	.	S	Bend	trans	67.3	15.3	178.5	-40.5	170.4	-74.8	176.5	-0.5	115.3	A216 S217 L237 D238 R240	A216-R219 PolarHBondContact O-N 3.09Å; S217-R219 PolarHBondContact O-N 3.28Å; R219-L237 WeakPolarHBondContact CB-O 3.49Å; R219-L237 WeakPolarHBondContact CD-O 3.34Å; R219-L237 PolarHBondContact O-N 3.21Å; R219-D238 WeakPolarHBondContact CD-O 3.31Å; R219-D238 PolarHBondContact NH1-O 3.28Å; R219-D238 VanDerWaalsContact NH1-O 3.1Å; R219-R240 HydrophobicContact CG-CB 4.26Å
220	N	92.1	Very high	91.3	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.027	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	134.5	-177.2	-54.4	-39.4	0	0	0	110.3	F196 A216 D218 V222 V235 I236	F196-N220 WeakPolarHBondContact CE1-ND2 3.14Å; F196-N220 HydrophobicContact CE2-CB 4.47Å; F196-N220 WeakPolarHBondContact CZ-ND2 3.34Å; A216-N220 HydrophobicContact CB-CB 4.01Å; A216-N220 PolarHBondContact N-O 3.25Å; D218-N220 PolarHBondContact O-N 3.22Å; D218-N220 PolarHBondContact O-ND2 3.12Å; D218-N220 PolarHBondContact O-OD1 2.83Å; N220-V222 HydrophobicContact CB-CG2 4.35Å; N220-V235 CarbonylContact C-O 3.25Å; N220-V235 VanDerWaalsContact CA-O 3.25Å; N220-V235 WeakPolarHBondContact CA-O 3.44Å; N220-I236 VanDerWaalsContact OD1-CG1 3.29Å; N220-I236 WeakPolarHBondContact OD1-CG1 3.44Å; N220-I236 WeakPolarHBondContact OD1-CG2 3.26Å
221	I	94.1	Very high	91.1	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	124.6	160.6	-62.4	164.9	0	0	0	106.7	S214 K234 V235 L237 T241 I244 F254 A256 F266	S214-I221 WeakPolarHBondContact O-CA 3.32Å; I221-K234 CarbonylContact O-C 3.58Å; I221-K234 VanDerWaalsContact O-CA 3.23Å; I221-K234 WeakPolarHBondContact O-CA 3.49Å; I221-V235 HydrophobicContact CB-CB 4.39Å; I221-V235 PolarHBondContact N-O 2.97Å; I221-V235 PolarHBondContact O-N 2.8Å; I221-L237 HydrophobicContact CD1-CD1 3.91Å; I221-L237 HydrophobicContact CD1-CG 4.47Å; I221-T241 HydrophobicContact CD1-CG2 4.01Å; I221-T241 HydrophobicContact CG1-CG2 3.98Å; I221-I244 HydrophobicContact CB-CD1 4.36Å; I221-I244 HydrophobicContact CG1-CD1 4.2Å; I221-I244 HydrophobicContact CG2-CD1 3.52Å; I221-F254 HydrophobicContact CD1-CE2 4.39Å; I221-F254 HydrophobicContact CG2-CE2 4.05Å; I221-F254 HydrophobicContact CG2-CZ 4.15Å; I221-A256 HydrophobicContact CD1-CB 3.75Å; I221-F266 HydrophobicContact CD1-CD2 4.29Å; I221-F266 HydrophobicContact CD1-CE2 3.9Å
222	V	93.8	Very high	90.8	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.006	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	136	179.8	-173.3	0	0	0	0	109.5	W194 G213 S214 N220 Y224 P231 K234	W194-V222 HydrophobicContact CE3-CG1 3.5Å; W194-V222 VanDerWaalsContact CE3-CG1 3.5Å; W194-V222 HydrophobicContact CZ3-CG1 3.8Å; G213-V222 CarbonylContact C-O 3.51Å; G213-V222 WeakPolarHBondContact CA-O 3.35Å; S214-V222 PolarHBondContact N-O 3.09Å; S214-V222 PolarHBondContact O-N 3Å; N220-V222 HydrophobicContact CB-CG2 4.35Å; V222-Y224 HydrophobicContact CB-CE2 3.81Å; V222-Y224 HydrophobicContact CG1-CD1 4.47Å; V222-Y224 HydrophobicContact CG1-CD2 4.31Å; V222-Y224 HydrophobicContact CG1-CE1 3.87Å; V222-Y224 HydrophobicContact CG1-CE2 3.64Å; V222-P231 HydrophobicContact CG1-CB 4.34Å; V222-K234 HydrophobicContact CG2-CB 4.04Å
223	L	94.4	Very high	90.6	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.016	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	141.1	175	-60.9	174.7	0	0	0	109.6	L232 K233 W246 F254 M268 L271	L223-L232 HydrophobicContact CB-CB 4.41Å; L223-L232 WeakPolarHBondContact O-CB 3.28Å; L223-L232 PolarHBondContact O-N 2.67Å; L223-K233 PolarHBondContact N-O 3.23Å; L223-W246 HydrophobicContact CD2-CH2 3.87Å; L223-W246 HydrophobicContact CD2-CZ2 3.91Å; L223-F254 HydrophobicContact CD2-CE1 4.16Å; L223-F254 HydrophobicContact CD2-CZ 4.38Å; L223-M268 HydrophobicContact CD1-CB 4.41Å; L223-M268 HydrophobicContact CD1-CE 4.2Å; L223-M268 HydrophobicContact CD1-CG 3.41Å; L223-M268 VanDerWaalsContact CD1-CG 3.41Å; L223-L271 HydrophobicContact CD1-CD1 3.83Å
224	Y	93	Very high	90.4	Very high	3 Å²	3	41.3 Å²	41.3	1%	0.012	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	152.7	176.9	-39.6	-111.1	0	0	0	110.2	V178 M192 L212 S214 V222 P231	V178-Y224 HydrophobicContact CB-CE1 4.35Å; V178-Y224 HydrophobicContact CG2-CE1 4.27Å; V178-Y224 HydrophobicContact CG2-CE2 4.01Å; V178-Y224 WeakPolarHBondContact CG2-OH 3.37Å; M192-Y224 HydrophobicContact CB-CD1 3.9Å; M192-Y224 HydrophobicContact CB-CE1 3.87Å; M192-Y224 HydrophobicContact CE-CD1 3.48Å; M192-Y224 VanDerWaalsContact CE-CD1 3.48Å; M192-Y224 HydrophobicContact CE-CE1 4.27Å; M192-Y224 HydrophobicContact CE-CG 3.76Å; M192-Y224 HydrophobicContact CG-CD1 4.35Å; M192-Y224 HydrophobicContact SD-CD1 3.55Å; M192-Y224 VanDerWaalsContact SD-CD1 3.55Å; M192-Y224 HydrophobicContact SD-CE1 4.46Å; M192-Y224 HydrophobicContact SD-CG 4.16Å; L212-Y224 HydrophobicContact CD1-CD2 3.41Å; L212-Y224 VanDerWaalsContact CD1-CD2 3.41Å; L212-Y224 HydrophobicContact CD1-CE2 4.18Å; L212-Y224 HydrophobicContact CD1-CG 3.78Å; L212-Y224 HydrophobicContact CG-CD2 3.88Å; L212-Y224 HydrophobicContact CG-CG 4.11Å; L212-Y224 PolarHBondContact N-O 3.16Å; L212-Y224 PolarHBondContact O-N 3.47Å; S214-Y224 WeakPolarHBondContact OG-CE2 3.42Å; S214-Y224 PolarHBondContact OG-OH 2.77Å; V222-Y224 HydrophobicContact CB-CE2 3.81Å; V222-Y224 HydrophobicContact CG1-CD1 4.47Å; V222-Y224 HydrophobicContact CG1-CD2 4.31Å; V222-Y224 HydrophobicContact CG1-CE1 3.87Å; V222-Y224 HydrophobicContact CG1-CE2 3.64Å; Y224-P231 HydrophobicContact CD1-CB 3.35Å; Y224-P231 HydrophobicContact CE1-CB 3.55Å; Y224-P231 HydrophobicContact CG-CB 4.3Å
225	D	92.7	Very high	90.4	Very high	19 Å²	19	41.4 Å²	41.4	10%	0.102	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	122.9	167.9	-174.5	-5.4	0	0	0	107.7	L211 R227 Q228 L232	L211-D225 HydrophobicContact CD2-CB 3.98Å; D225-R227 PolarHBondContact O-N 2.92Å; D225-R227 VanDerWaalsContact O-N 3.09Å; D225-R227 WeakPolarHBondContact OD1-CB 3.3Å; D225-R227 VanDerWaalsContact OD1-CG 3.31Å; D225-R227 WeakPolarHBondContact OD1-CG 3.23Å; D225-R227 PolarHBondContact OD1-N 2.96Å; D225-R227 VanDerWaalsContact OD1-N 3.1Å; D225-R227 IonicContact OD1-NE 3.96Å; D225-R227 PolarHBondContact OD1-NE 2.95Å; D225-R227 IonicContact OD2-NE 2.68Å; D225-Q228 PolarHBondContact O-N 2.88Å; D225-L232 HydrophobicContact CB-CD1 3.76Å; D225-L232 HydrophobicContact CB-CD2 4.29Å; D225-L232 HydrophobicContact CB-CG 3.95Å
226	M	89.8	Confident	90.4	Very high	43 Å²	43	43 Å²	43	21%	0.212	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-24.2	178.7	-65.2	-73	-60.1	0	0	113.2	V170 I180 F204 F210 L212 Q228	V170-M226 HydrophobicContact CG1-CE 3.61Å; I180-M226 HydrophobicContact CB-CE 4.12Å; I180-M226 HydrophobicContact CB-SD 4.45Å; I180-M226 HydrophobicContact CD1-CE 3.64Å; I180-M226 HydrophobicContact CD1-SD 3.18Å; I180-M226 WeakPolarHBondContact CD1-SD 3.44Å; I180-M226 HydrophobicContact CG1-CE 3.78Å; I180-M226 HydrophobicContact CG1-SD 3.48Å; I180-M226 WeakPolarHBondContact CG1-SD 3.42Å; I180-M226 HydrophobicContact CG2-CE 3.24Å; I180-M226 HydrophobicContact CG2-SD 4.16Å; F204-M226 HydrophobicContact CE1-CG 4.11Å; F204-M226 HydrophobicContact CE1-SD 3.92Å; F204-M226 HydrophobicContact CZ-SD 4.2Å; F210-M226 HydrophobicContact CB-CB 4.2Å; F210-M226 HydrophobicContact CD1-CB 4.12Å; F210-M226 WeakPolarHBondContact O-CB 3.46Å; F210-M226 WeakPolarHBondContact O-CG 3.49Å; F210-M226 PolarHBondContact O-N 3Å; L212-M226 HydrophobicContact CD2-CG 3.7Å; L212-M226 HydrophobicContact CD2-SD 3.5Å; L212-M226 WeakPolarHBondContact CD2-SD 3.48Å; M226-Q228 VanDerWaalsContact C-N 3.26Å; M226-Q228 PolarHBondContact O-N 3.22Å
227	R	90.4	Very high	90.5	Very high	149 Å²	149	42.9 Å²	42.9	56%	0.562	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-21.3	179.7	-58.7	168.1	-122.8	-163.4	-7.4	112.2	E208 F210 D225	E208-R227 IonicContact OE2-NH2 3.51Å; F210-R227 HydrophobicContact CB-CG 4.33Å; F210-R227 HydrophobicContact CG-CG 4.35Å; D225-R227 PolarHBondContact O-N 2.92Å; D225-R227 VanDerWaalsContact O-N 3.09Å; D225-R227 WeakPolarHBondContact OD1-CB 3.3Å; D225-R227 VanDerWaalsContact OD1-CG 3.31Å; D225-R227 WeakPolarHBondContact OD1-CG 3.23Å; D225-R227 PolarHBondContact OD1-N 2.96Å; D225-R227 VanDerWaalsContact OD1-N 3.1Å; D225-R227 IonicContact OD1-NE 3.96Å; D225-R227 PolarHBondContact OD1-NE 2.95Å; D225-R227 IonicContact OD2-NE 2.68Å
228	Q	87.9	Confident	90.7	Very high	92 Å²	92	43.8 Å²	43.8	43%	0.43	22%	0.221	S	C	.	.	S	Bend	trans	-114	136.6	-180	-62	-175.4	0.1	0	0	109.2	D225 M226 T230	D225-Q228 PolarHBondContact O-N 2.88Å; M226-Q228 VanDerWaalsContact C-N 3.26Å; M226-Q228 PolarHBondContact O-N 3.22Å; Q228-T230 PolarHBondContact O-N 3.07Å
229	A	81.3	Confident	91	Very high	77 Å²	77	44.4 Å²	44.4	64%	0.636	22%	0.223	S	C	*	.	S	Bend	trans	-72.6	-16	174.2	0	0	0	0	0	112.3
230	T	85	Confident	91.1	Very high	89 Å²	89	44.3 Å²	44.3	55%	0.546	22%	0.222	S	C	.	.	S	Bend	trans	-96.4	139.6	177.2	53.5	0	0	0	0	111	Q228	Q228-T230 PolarHBondContact O-N 3.07Å
231	P	87.4	Confident	91.2	Very high	23 Å²	23	44.1 Å²	44.1	15%	0.149	22%	0.221	C	C	.	.			trans	-69.5	149.7	176.2	36.3	-42.1	0	0	0	110.7	W194 V222 Y224	W194-P231 HydrophobicContact CD2-CB 4.42Å; W194-P231 HydrophobicContact CD2-CG 3.76Å; W194-P231 HydrophobicContact CE3-CB 3.24Å; W194-P231 HydrophobicContact CE3-CG 2.97Å; W194-P231 HydrophobicContact CH2-CB 4.11Å; W194-P231 HydrophobicContact CH2-CG 3.75Å; W194-P231 WeakPolarHBondContact CH2-O 3.49Å; W194-P231 HydrophobicContact CZ2-CG 4.42Å; W194-P231 VanDerWaalsContact CZ3-C 3.46Å; W194-P231 HydrophobicContact CZ3-CB 3.09Å; W194-P231 HydrophobicContact CZ3-CG 3.04Å; V222-P231 HydrophobicContact CG1-CB 4.34Å; Y224-P231 HydrophobicContact CD1-CB 3.35Å; Y224-P231 HydrophobicContact CE1-CB 3.55Å; Y224-P231 HydrophobicContact CG-CB 4.3Å
232	L	89.2	Confident	91.3	Very high	43 Å²	43	45.1 Å²	45.1	23%	0.225	23%	0.227	C	C	.	.			trans	-82.8	-61.8	-165.3	-78.9	177.7	0	0	0	114.1	L211 L223 D225 M268 K445	L211-L232 HydrophobicContact CD2-CD1 3.91Å; L223-L232 HydrophobicContact CB-CB 4.41Å; L223-L232 WeakPolarHBondContact O-CB 3.28Å; L223-L232 PolarHBondContact O-N 2.67Å; D225-L232 HydrophobicContact CB-CD1 3.76Å; D225-L232 HydrophobicContact CB-CD2 4.29Å; D225-L232 HydrophobicContact CB-CG 3.95Å; L232-M268 HydrophobicContact CD1-CE 3.66Å; L232-K445 VanDerWaalsContact O-OXT 3.09Å
233	K	90.1	Very high	91.3	Very high	62 Å²	62	46.2 Å²	46.2	27%	0.27	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	154	-173.3	-68.3	-174.8	-177.5	171.6	0	109.5	L223 R269 L271	L223-K233 PolarHBondContact N-O 3.23Å; K233-R269 PolarHBondContact NZ-O 2.97Å; K233-L271 HydrophobicContact CB-CD1 3.99Å; K233-L271 HydrophobicContact CD-CD1 3.92Å
234	K	90.9	Very high	91.4	Very high	33 Å²	33	46.3 Å²	46.3	14%	0.143	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	146.3	169.8	66.2	174.4	-178.2	-175.4	0	113.3	W194 F196 I221 V222 V443 V444	W194-K234 HydrophobicContact CD2-CD 4.41Å; F196-K234 HydrophobicContact CZ-CD 4.3Å; I221-K234 CarbonylContact O-C 3.58Å; I221-K234 VanDerWaalsContact O-CA 3.23Å; I221-K234 WeakPolarHBondContact O-CA 3.49Å; V222-K234 HydrophobicContact CG2-CB 4.04Å; K234-V443 WeakPolarHBondContact O-CA 3.34Å; K234-V444 HydrophobicContact CD-CB 4.14Å; K234-V444 HydrophobicContact CD-CG2 4.38Å; K234-V444 HydrophobicContact CG-CB 3.61Å; K234-V444 HydrophobicContact CG-CG1 4.46Å; K234-V444 HydrophobicContact CG-CG2 4.19Å; K234-V444 PolarHBondContact N-O 3.32Å; K234-V444 PolarHBondContact O-N 3.1Å
235	V	93.1	Very high	91.6	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	129.3	174.8	-173.4	0	0	0	0	108.5	N220 I221 L237 L271 I440 V443	N220-V235 CarbonylContact C-O 3.25Å; N220-V235 VanDerWaalsContact CA-O 3.25Å; N220-V235 WeakPolarHBondContact CA-O 3.44Å; I221-V235 HydrophobicContact CB-CB 4.39Å; I221-V235 PolarHBondContact N-O 2.97Å; I221-V235 PolarHBondContact O-N 2.8Å; V235-L237 HydrophobicContact CG1-CD2 3.86Å; V235-L271 HydrophobicContact CG2-CB 3.53Å; V235-L271 HydrophobicContact CG2-CD1 3.58Å; V235-L271 HydrophobicContact CG2-CD2 3.86Å; V235-L271 HydrophobicContact CG2-CG 3.82Å; V235-I440 HydrophobicContact CG1-CG2 4.25Å; V235-V443 HydrophobicContact CG1-CG2 4.29Å; V235-V443 HydrophobicContact CG2-CG2 4.41Å
236	I	93.6	Very high	91.9	Very high	33 Å²	33	46.3 Å²	46.3	17%	0.169	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	118.2	177.8	-47.2	-169.5	0	0	0	107.8	N220 V441 A442	N220-I236 VanDerWaalsContact OD1-CG1 3.29Å; N220-I236 WeakPolarHBondContact OD1-CG1 3.44Å; N220-I236 WeakPolarHBondContact OD1-CG2 3.26Å; I236-V441 HydrophobicContact CB-CB 4.31Å; I236-V441 HydrophobicContact CG2-CB 4.1Å; I236-V441 HydrophobicContact CG2-CG1 4.5Å; I236-V441 PolarHBondContact O-N 3.32Å; I236-A442 HydrophobicContact CD1-CB 4.33Å; I236-A442 HydrophobicContact CG1-CB 4.46Å; I236-A442 PolarHBondContact N-O 3.39Å; I236-A442 PolarHBondContact O-N 2.89Å
237	L	93.4	Very high	92.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	169.7	176	-58.3	-173.5	0	0	0	111.9	R219 I221 V235 T241 N258 Y264 F266 H439 I440	R219-L237 WeakPolarHBondContact CB-O 3.49Å; R219-L237 WeakPolarHBondContact CD-O 3.34Å; R219-L237 PolarHBondContact O-N 3.21Å; I221-L237 HydrophobicContact CD1-CD1 3.91Å; I221-L237 HydrophobicContact CD1-CG 4.47Å; V235-L237 HydrophobicContact CG1-CD2 3.86Å; L237-T241 HydrophobicContact CD1-CG2 3.54Å; L237-N258 WeakPolarHBondContact CD1-ND2 3.34Å; L237-Y264 HydrophobicContact CD1-CD2 4.19Å; L237-F266 HydrophobicContact CD1-CE2 4.48Å; L237-F266 HydrophobicContact CD2-CZ 3.97Å; L237-H439 WeakPolarHBondContact CA-O 3.4Å; L237-I440 HydrophobicContact CD2-CG1 3.85Å
238	D	92.4	Very high	92.4	Very high	61 Å²	61	39 Å²	39	33%	0.326	21%	0.21	S	C	.	.	S	Bend	trans	-62.1	-41.6	176.6	-77.2	-14.5	0	0	0	112.9	R219 H439 V441	R219-D238 WeakPolarHBondContact CD-O 3.31Å; R219-D238 PolarHBondContact NH1-O 3.28Å; R219-D238 VanDerWaalsContact NH1-O 3.1Å; D238-H439 PolarHBondContact N-O 3.43Å; D238-H439 VanDerWaalsContact N-O 3.1Å; D238-H439 WeakPolarHBondContact OD2-CA 3.33Å; D238-H439 IonicContact OD2-CG 2.68Å; D238-H439 IonicContact OD2-ND1 3.54Å; D238-H439 PolarHBondContact OD2-ND1 2.82Å; D238-V441 WeakPolarHBondContact OD1-CG2 3.42Å
239	M	93.9	Very high	92.8	Very high	87 Å²	87	40.6 Å²	40.6	43%	0.429	22%	0.219	S	C	.	.	S	Bend	trans	-129.6	162.4	-175.3	-66	-63.4	-69.7	0	0	110.8	N258 E259 D260	M239-N258 VanDerWaalsContact CB-OD1 3.27Å; M239-N258 WeakPolarHBondContact CB-OD1 3.39Å; M239-N258 PolarHBondContact O-ND2 3.47Å; M239-N258 PolarHBondContact O-OD1 3.34Å; M239-E259 HydrophobicContact CB-CB 4.49Å; M239-D260 HydrophobicContact CB-CB 4.09Å; M239-D260 HydrophobicContact CG-CB 4.02Å
240	R	93.8	Very high	93.4	Very high	105 Å²	105	41 Å²	41	40%	0.396	21%	0.207	S	C	.	.			trans	-71.9	142.8	-172.2	76.3	178.2	-177.6	172.3	-0.5	112.7	S217 R219 N258 E259	S217-R240 WeakPolarHBondContact O-CB 3.26Å; R219-R240 HydrophobicContact CG-CB 4.26Å; R240-N258 PolarHBondContact O-OD1 3.24Å; R240-E259 HydrophobicContact CG-CB 4.37Å; R240-E259 VanDerWaalsContact CG-CD 3.44Å; R240-E259 HydrophobicContact CG-CG 3.62Å; R240-E259 VanDerWaalsContact CG-OE2 3.3Å; R240-E259 WeakPolarHBondContact CG-OE2 3.31Å; R240-E259 IonicContact CZ-OE1 3.65Å; R240-E259 IonicContact CZ-OE2 3.52Å; R240-E259 IonicContact NE-OE1 3.9Å; R240-E259 PolarHBondContact NE-OE1 2.68Å; R240-E259 IonicContact NE-OE2 3.05Å; R240-E259 PolarHBondContact NE-OE2 2.74Å; R240-E259 VanDerWaalsContact NE-OE2 3.09Å; R240-E259 IonicContact NH2-OE1 2.8Å; R240-E259 PolarHBondContact NH2-OE1 3.35Å; R240-E259 PolarHBondContact O-N 2.84Å
241	T	95.2	Very high	93.8	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	127.5	174.2	48.8	0	0	0	0	109.9	S200 C215 I221 L237 A256 A257 N258	S200-T241 PolarHBondContact OG-O 3.09Å; C215-T241 WeakPolarHBondContact CB-O 3.47Å; C215-T241 PolarHBondContact SG-OG1 2.89Å; I221-T241 HydrophobicContact CD1-CG2 4.01Å; I221-T241 HydrophobicContact CG1-CG2 3.98Å; L237-T241 HydrophobicContact CD1-CG2 3.54Å; T241-A256 HydrophobicContact CG2-CB 4.21Å; T241-A257 CarbonylContact C-O 3.48Å; T241-A257 VanDerWaalsContact CA-O 3.26Å; T241-A257 WeakPolarHBondContact CA-O 3.25Å; T241-N258 HydrophobicContact CG2-CB 4.24Å
242	N	95.1	Very high	94.2	Very high	22 Å²	22	39.6 Å²	39.6	12%	0.118	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	-54.1	-178.5	-68.1	-34.5	0	0	0	110.3	S200 S201 A257 V285	S200-N242 PolarHBondContact OG-O 2.73Å; S201-N242 PolarHBondContact OG-O 3.5Å; N242-A257 PolarHBondContact N-O 2.85Å; N242-V285 PolarHBondContact ND2-O 3Å
243	T	95.7	Very high	94.5	Very high	25 Å²	25	38.3 Å²	38.3	15%	0.153	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	157	-179.6	67.8	0	0	0	0	113.2	S201 A256 A257 L286 D287 V288	S201-T243 WeakPolarHBondContact OG-CA 3.45Å; T243-A256 WeakPolarHBondContact O-CA 3.37Å; T243-A257 PolarHBondContact O-N 2.88Å; T243-L286 VanDerWaalsContact CG2-O 3.26Å; T243-L286 WeakPolarHBondContact CG2-O 3.44Å; T243-L286 PolarHBondContact OG1-O 2.94Å; T243-D287 WeakPolarHBondContact OG1-CA 3.44Å; T243-D287 PolarHBondContact OG1-OD1 2.97Å; T243-V288 PolarHBondContact OG1-N 3.27Å
244	I	96.1	Very high	94.9	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.021	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	149.5	168.7	-74.3	154.8	0	0	0	108.2	K203 C215 I221 F254 T255 A256	K203-I244 VanDerWaalsContact CG-O 3.29Å; K203-I244 WeakPolarHBondContact CG-O 3.41Å; C215-I244 WeakPolarHBondContact SG-CD1 3.41Å; C215-I244 WeakPolarHBondContact SG-CG1 3.35Å; I221-I244 HydrophobicContact CB-CD1 4.36Å; I221-I244 HydrophobicContact CG1-CD1 4.2Å; I221-I244 HydrophobicContact CG2-CD1 3.52Å; I244-F254 HydrophobicContact CG1-CD2 4.35Å; I244-F254 HydrophobicContact CG2-CB 4.06Å; I244-F254 HydrophobicContact CG2-CD2 3.68Å; I244-F254 HydrophobicContact CG2-CE2 4.48Å; I244-F254 HydrophobicContact CG2-CG 4.15Å; I244-T255 WeakPolarHBondContact CA-O 3.31Å; I244-A256 HydrophobicContact CG1-CB 4.04Å
245	C	97.2	Very high	95.2	Very high	14 Å²	14	33.8 Å²	33.8	10%	0.095	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	132.9	165.3	-168.9	0	0	0	0	109.7	F254 T255 V288 Y290	C245-F254 CarbonylContact O-C 3.48Å; C245-F254 WeakPolarHBondContact O-CA 3.43Å; C245-F254 WeakPolarHBondContact O-CB 3.42Å; C245-T255 PolarHBondContact N-O 3.27Å; C245-T255 PolarHBondContact O-N 3.45Å; C245-V288 HydrophobicContact CB-CB 4.38Å; C245-V288 HydrophobicContact CB-CG1 3.97Å; C245-V288 WeakPolarHBondContact CB-O 3.44Å; C245-Y290 HydrophobicContact CB-CD2 3.98Å; C245-Y290 HydrophobicContact CB-CE2 4.48Å; C245-Y290 WeakPolarHBondContact O-CE2 3.39Å; C245-Y290 PolarHBondContact SG-N 3.5Å
246	W	97.6	Very high	95.3	Very high	8 Å²	8	33.8 Å²	33.8	3%	0.03	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	148	176	-66.9	94.8	0	0	0	111.2	K203 F204 N205 P206 L223 P248 F254 M268 Y290	K203-W246 PolarHBondContact O-NE1 3.48Å; F204-W246 VanDerWaalsContact O-CD1 3.29Å; N205-W246 HydrophobicContact CB-CD2 3.82Å; N205-W246 HydrophobicContact CB-CE3 4.16Å; N205-W246 HydrophobicContact CB-CG 4.02Å; P206-W246 HydrophobicContact CG-CB 4.4Å; L223-W246 HydrophobicContact CD2-CH2 3.87Å; L223-W246 HydrophobicContact CD2-CZ2 3.91Å; W246-P248 WeakPolarHBondContact O-CD 3.43Å; W246-F254 HydrophobicContact CD2-CB 3.91Å; W246-F254 HydrophobicContact CE3-CB 3.75Å; W246-F254 HydrophobicContact CE3-CD1 4.16Å; W246-F254 HydrophobicContact CE3-CG 4.37Å; W246-F254 HydrophobicContact CG-CB 4.33Å; W246-F254 AromaticContact CH2-CD1 3.91Å; W246-F254 HydrophobicContact CH2-CD1 3.91Å; W246-F254 HydrophobicContact CH2-CE1 4.44Å; W246-F254 HydrophobicContact CZ3-CB 4.2Å; W246-F254 AromaticContact CZ3-CD1 3.71Å; W246-F254 HydrophobicContact CZ3-CD1 3.71Å; W246-F254 HydrophobicContact CZ3-CG 4.35Å; W246-M268 HydrophobicContact CH2-CG 4.27Å; W246-M268 HydrophobicContact CZ3-CB 4.45Å; W246-Y290 WeakPolarHBondContact O-CD2 3.21Å
247	N	97.1	Very high	95.5	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	16%	0.16	C	C	.	.			trans	-71.5	123.2	170.6	-173.9	-15.1	0	0	0	109.4	M249 E250 I253 Y290 G294	N247-M249 PolarHBondContact O-N 2.99Å; N247-M249 PolarHBondContact OD1-N 2.84Å; N247-E250 HydrophobicContact CB-CB 4.2Å; N247-E250 PolarHBondContact ND2-OE2 2.79Å; N247-I253 HydrophobicContact CB-CB 4.18Å; N247-I253 HydrophobicContact CB-CG2 4.45Å; N247-I253 WeakPolarHBondContact CB-O 3.41Å; N247-I253 PolarHBondContact N-O 2.9Å; N247-Y290 HydrophobicContact CB-CD1 4.15Å; N247-Y290 HydrophobicContact CB-CE1 3.78Å; N247-G294 PolarHBondContact ND2-O 3.15Å; N247-G294 WeakPolarHBondContact OD1-CA 3.42Å
248	P	95.1	Very high	95.6	Very high	38 Å²	38	32.2 Å²	32.2	25%	0.247	16%	0.16	C	C	.	.	S	Bend	trans	-69.3	-14.9	-179.1	27.4	-35.2	0	0	0	115.1	P206 V207 W246 Y290 S291	P206-P248 HydrophobicContact CG-CB 4.15Å; V207-P248 WeakPolarHBondContact CG2-O 3.46Å; W246-P248 WeakPolarHBondContact O-CD 3.43Å; P248-Y290 VanDerWaalsContact CD-CB 3.46Å; P248-S291 WeakPolarHBondContact CG-O 3.47Å
249	M	95.1	Very high	95.8	Very high	126 Å²	126	31.3 Å²	31.3	62%	0.621	15%	0.154	S	C	*	.	S	Bend	trans	-104.7	-32.4	177.8	-68.9	-64.8	-165.5	0	0	112.9	N247 T293	N247-M249 PolarHBondContact O-N 2.99Å; N247-M249 PolarHBondContact OD1-N 2.84Å; M249-T293 WeakPolarHBondContact CG-O 3.36Å
250	E	94.9	Very high	95.7	Very high	84 Å²	84	28.3 Å²	28.3	39%	0.393	14%	0.139	S	C	.	.			trans	-112.6	102.3	-177.2	-63.3	173.1	154.4	0	0	110	N247 F252 I253	N247-E250 HydrophobicContact CB-CB 4.2Å; N247-E250 PolarHBondContact ND2-OE2 2.79Å; E250-F252 VanDerWaalsContact C-N 3.26Å; E250-F252 PolarHBondContact O-N 2.89Å; E250-F252 VanDerWaalsContact O-N 3.1Å; E250-I253 HydrophobicContact CB-CB 4.25Å; E250-I253 HydrophobicContact CB-CG1 4.17Å; E250-I253 PolarHBondContact O-N 3.39Å; E250-I253 VanDerWaalsContact O-N 3.16Å; E250-I253 VanDerWaalsContact OE2-CD1 3.26Å; E250-I253 WeakPolarHBondContact OE2-CD1 3.49Å
251	A	93.8	Very high	95.8	Very high	16 Å²	16	28 Å²	28	13%	0.132	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-35.8	-171	0	0	0	0	0	115	N205 V207 E208	N205-A251 PolarHBondContact ND2-O 3.4Å; V207-A251 HydrophobicContact CB-CB 3.69Å; V207-A251 HydrophobicContact CG1-CB 3.72Å; V207-A251 HydrophobicContact CG2-CB 4.42Å; E208-A251 HydrophobicContact CB-CB 4.35Å; E208-A251 HydrophobicContact CG-CB 3.7Å
252	F	94.7	Very high	95.8	Very high	67 Å²	67	28.9 Å²	28.9	29%	0.294	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-1.6	-172.4	49.1	-93.2	0	0	0	113.2	E250 D267 M268	E250-F252 VanDerWaalsContact C-N 3.26Å; E250-F252 PolarHBondContact O-N 2.89Å; E250-F252 VanDerWaalsContact O-N 3.1Å; F252-D267 WeakPolarHBondContact O-CA 3.48Å; F252-M268 HydrophobicContact CB-CB 4.35Å; F252-M268 WeakPolarHBondContact O-CB 3.39Å; F252-M268 PolarHBondContact O-N 3.11Å
253	I	96.6	Very high	95.9	Very high	17 Å²	17	27.8 Å²	27.8	9%	0.087	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	131.8	179.9	-57	-158	0	0	0	110.3	N247 E250 T265 F266	N247-I253 HydrophobicContact CB-CB 4.18Å; N247-I253 HydrophobicContact CB-CG2 4.45Å; N247-I253 WeakPolarHBondContact CB-O 3.41Å; N247-I253 PolarHBondContact N-O 2.9Å; E250-I253 HydrophobicContact CB-CB 4.25Å; E250-I253 HydrophobicContact CB-CG1 4.17Å; E250-I253 PolarHBondContact O-N 3.39Å; E250-I253 VanDerWaalsContact O-N 3.16Å; E250-I253 VanDerWaalsContact OE2-CD1 3.26Å; E250-I253 WeakPolarHBondContact OE2-CD1 3.49Å; I253-T265 HydrophobicContact CG2-CG2 3.38Å; I253-F266 WeakPolarHBondContact CA-O 3.32Å
254	F	97	Very high	95.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	156.2	169.7	66.7	-89.9	0	0	0	110.7	I221 L223 I244 C245 W246 T265 F266 M268 L271	I221-F254 HydrophobicContact CD1-CE2 4.39Å; I221-F254 HydrophobicContact CG2-CE2 4.05Å; I221-F254 HydrophobicContact CG2-CZ 4.15Å; L223-F254 HydrophobicContact CD2-CE1 4.16Å; L223-F254 HydrophobicContact CD2-CZ 4.38Å; I244-F254 HydrophobicContact CG1-CD2 4.35Å; I244-F254 HydrophobicContact CG2-CB 4.06Å; I244-F254 HydrophobicContact CG2-CD2 3.68Å; I244-F254 HydrophobicContact CG2-CE2 4.48Å; I244-F254 HydrophobicContact CG2-CG 4.15Å; C245-F254 CarbonylContact O-C 3.48Å; C245-F254 WeakPolarHBondContact O-CA 3.43Å; C245-F254 WeakPolarHBondContact O-CB 3.42Å; W246-F254 HydrophobicContact CD2-CB 3.91Å; W246-F254 HydrophobicContact CE3-CB 3.75Å; W246-F254 HydrophobicContact CE3-CD1 4.16Å; W246-F254 HydrophobicContact CE3-CG 4.37Å; W246-F254 HydrophobicContact CG-CB 4.33Å; W246-F254 AromaticContact CH2-CD1 3.91Å; W246-F254 HydrophobicContact CH2-CD1 3.91Å; W246-F254 HydrophobicContact CH2-CE1 4.44Å; W246-F254 HydrophobicContact CZ3-CB 4.2Å; W246-F254 AromaticContact CZ3-CD1 3.71Å; W246-F254 HydrophobicContact CZ3-CD1 3.71Å; W246-F254 HydrophobicContact CZ3-CG 4.35Å; F254-T265 CarbonylContact O-C 3.6Å; F254-T265 WeakPolarHBondContact O-CA 3.48Å; F254-F266 HydrophobicContact CD1-CB 4.3Å; F254-F266 HydrophobicContact CD2-CB 4.36Å; F254-F266 HydrophobicContact CE1-CB 3.77Å; F254-F266 HydrophobicContact CE2-CB 3.85Å; F254-F266 AromaticContact CE2-CD2 3.81Å; F254-F266 HydrophobicContact CE2-CD2 3.81Å; F254-F266 HydrophobicContact CE2-CG 4.2Å; F254-F266 HydrophobicContact CZ-CB 3.53Å; F254-F266 HydrophobicContact CZ-CD2 4.1Å; F254-F266 HydrophobicContact CZ-CG 4.06Å; F254-F266 PolarHBondContact N-O 3.36Å; F254-F266 VanDerWaalsContact N-O 3.13Å; F254-F266 PolarHBondContact O-N 2.77Å; F254-M268 HydrophobicContact CE1-CB 4.43Å; F254-L271 HydrophobicContact CE1-CD2 4.17Å; F254-L271 HydrophobicContact CZ-CD2 4.06Å
255	T	97.5	Very high	95.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	131.4	174.5	-65.5	0	0	0	0	110	I244 C245 L263 Y264 T265 V288 Y290 F297	I244-T255 WeakPolarHBondContact CA-O 3.31Å; C245-T255 PolarHBondContact N-O 3.27Å; C245-T255 PolarHBondContact O-N 3.45Å; T255-L263 HydrophobicContact CG2-CB 3.86Å; T255-L263 HydrophobicContact CG2-CD2 4.12Å; T255-Y264 CarbonylContact C-O 3.56Å; T255-Y264 VanDerWaalsContact CA-O 3.3Å; T255-Y264 WeakPolarHBondContact CA-O 3.42Å; T255-T265 PolarHBondContact OG1-OG1 3.42Å; T255-V288 HydrophobicContact CG2-CG1 4.28Å; T255-Y290 PolarHBondContact OG1-OH 3.13Å; T255-F297 HydrophobicContact CG2-CE2 4.37Å; T255-F297 HydrophobicContact CG2-CZ 4.35Å
256	A	96.7	Very high	95.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	132.7	176.5	0	0	0	0	0	111	I221 T241 T243 I244 L263 Y264	I221-A256 HydrophobicContact CD1-CB 3.75Å; T241-A256 HydrophobicContact CG2-CB 4.21Å; T243-A256 WeakPolarHBondContact O-CA 3.37Å; I244-A256 HydrophobicContact CG1-CB 4.04Å; A256-L263 VanDerWaalsContact O-CA 3.3Å; A256-L263 WeakPolarHBondContact O-CA 3.33Å; A256-Y264 PolarHBondContact N-O 3.11Å; A256-Y264 PolarHBondContact O-N 3.47Å
257	A	97.1	Very high	95.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	122.3	171.4	0	0	0	0	0	109.5	T241 N242 T243 V285 V288	T241-A257 CarbonylContact C-O 3.48Å; T241-A257 VanDerWaalsContact CA-O 3.26Å; T241-A257 WeakPolarHBondContact CA-O 3.25Å; N242-A257 PolarHBondContact N-O 2.85Å; T243-A257 PolarHBondContact O-N 2.88Å; A257-V285 HydrophobicContact CB-CB 4.11Å; A257-V285 HydrophobicContact CB-CG1 3.82Å; A257-V288 HydrophobicContact CB-CG2 3.59Å
258	N	95.9	Very high	95.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	153.9	-176.1	-164	-32.2	0	0	0	111.3	L237 M239 R240 T241 D260 N262 Y264 V285	L237-N258 WeakPolarHBondContact CD1-ND2 3.34Å; M239-N258 VanDerWaalsContact CB-OD1 3.27Å; M239-N258 WeakPolarHBondContact CB-OD1 3.39Å; M239-N258 PolarHBondContact O-ND2 3.47Å; M239-N258 PolarHBondContact O-OD1 3.34Å; R240-N258 PolarHBondContact O-OD1 3.24Å; T241-N258 HydrophobicContact CG2-CB 4.24Å; N258-D260 VanDerWaalsContact CB-OD1 3.3Å; N258-D260 WeakPolarHBondContact CB-OD1 3.46Å; N258-D260 PolarHBondContact O-N 3.14Å; N258-D260 PolarHBondContact OD1-N 2.97Å; N258-N262 PolarHBondContact N-O 3.19Å; N258-Y264 HydrophobicContact CB-CD2 3.99Å; N258-Y264 HydrophobicContact CB-CE2 3.81Å; N258-V285 PolarHBondContact O-N 3.49Å; N258-V285 VanDerWaalsContact O-N 3.12Å
259	E	95.3	Very high	95.4	Very high	43 Å²	43	34.9 Å²	34.9	20%	0.201	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-17.2	174.7	-72.6	-153.2	147.4	0	0	114.8	M239 R240 Y261 A284	M239-E259 HydrophobicContact CB-CB 4.49Å; R240-E259 HydrophobicContact CG-CB 4.37Å; R240-E259 VanDerWaalsContact CG-CD 3.44Å; R240-E259 HydrophobicContact CG-CG 3.62Å; R240-E259 VanDerWaalsContact CG-OE2 3.3Å; R240-E259 WeakPolarHBondContact CG-OE2 3.31Å; R240-E259 IonicContact CZ-OE1 3.65Å; R240-E259 IonicContact CZ-OE2 3.52Å; R240-E259 IonicContact NE-OE1 3.9Å; R240-E259 PolarHBondContact NE-OE1 2.68Å; R240-E259 IonicContact NE-OE2 3.05Å; R240-E259 PolarHBondContact NE-OE2 2.74Å; R240-E259 VanDerWaalsContact NE-OE2 3.09Å; R240-E259 IonicContact NH2-OE1 2.8Å; R240-E259 PolarHBondContact NH2-OE1 3.35Å; R240-E259 PolarHBondContact O-N 2.84Å; E259-Y261 WeakPolarHBondContact O-CD1 3.35Å; E259-Y261 WeakPolarHBondContact O-CE1 3.43Å; E259-Y261 PolarHBondContact O-N 2.73Å; E259-A284 HydrophobicContact CB-CB 4.23Å; E259-A284 HydrophobicContact CG-CB 4.08Å
260	D	93.4	Very high	95.3	Very high	24 Å²	24	31.3 Å²	31.3	13%	0.128	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	16.1	174.4	70.5	0.6	0	0	0	114.7	M239 N258 N262 Y264	M239-D260 HydrophobicContact CB-CB 4.09Å; M239-D260 HydrophobicContact CG-CB 4.02Å; N258-D260 VanDerWaalsContact CB-OD1 3.3Å; N258-D260 WeakPolarHBondContact CB-OD1 3.46Å; N258-D260 PolarHBondContact O-N 3.14Å; N258-D260 PolarHBondContact OD1-N 2.97Å; D260-N262 PolarHBondContact O-N 2.64Å; D260-N262 PolarHBondContact O-ND2 3.01Å; D260-N262 WeakPolarHBondContact OD1-CB 3.47Å; D260-N262 PolarHBondContact OD1-N 2.77Å; D260-Y264 VanDerWaalsContact OD2-CE2 3.23Å; D260-Y264 WeakPolarHBondContact OD2-CE2 3.4Å; D260-Y264 VanDerWaalsContact OD2-CZ 3.23Å; D260-Y264 PolarHBondContact OD2-OH 3.07Å
261	Y	94.4	Very high	95.1	Very high	98 Å²	98	27.5 Å²	27.5	38%	0.384	13%	0.131	S	C	.	.	S	Bend	trans	71.8	-2.2	-180	-33.2	-38.4	0	0	0	113.9	E259 H281 S283 Q407	E259-Y261 WeakPolarHBondContact O-CD1 3.35Å; E259-Y261 WeakPolarHBondContact O-CE1 3.43Å; E259-Y261 PolarHBondContact O-N 2.73Å; Y261-H281 WeakPolarHBondContact O-CB 3.21Å; Y261-S283 VanDerWaalsContact CD1-CA 3.41Å; Y261-S283 WeakPolarHBondContact CD1-O 3.4Å; Y261-Q407 VanDerWaalsContact CE2-NE2 3.28Å
262	N	95.5	Very high	94.9	Very high	19 Å²	19	31 Å²	31	10%	0.102	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	166.2	-177.6	-56.8	-43.4	0	0	0	111.1	N258 D260 Y264 V277 H278	N258-N262 PolarHBondContact N-O 3.19Å; D260-N262 PolarHBondContact O-N 2.64Å; D260-N262 PolarHBondContact O-ND2 3.01Å; D260-N262 WeakPolarHBondContact OD1-CB 3.47Å; D260-N262 PolarHBondContact OD1-N 2.77Å; N262-Y264 HydrophobicContact CB-CE2 4.12Å; N262-Y264 PolarHBondContact ND2-OH 2.94Å; N262-V277 HydrophobicContact CB-CG1 4.12Å; N262-H278 WeakPolarHBondContact CA-O 3.45Å
263	L	96.8	Very high	94.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	143	166.4	-54.3	88.7	0	0	0	110.2	T255 A256 V277 H278 V285 V288 F297 F309	T255-L263 HydrophobicContact CG2-CB 3.86Å; T255-L263 HydrophobicContact CG2-CD2 4.12Å; A256-L263 VanDerWaalsContact O-CA 3.3Å; A256-L263 WeakPolarHBondContact O-CA 3.33Å; L263-V277 WeakPolarHBondContact O-CA 3.19Å; L263-H278 HydrophobicContact CB-CB 4.09Å; L263-H278 HydrophobicContact CD1-CB 4.35Å; L263-H278 PolarHBondContact N-O 3.45Å; L263-H278 PolarHBondContact O-N 2.84Å; L263-V285 HydrophobicContact CD1-CG1 4.2Å; L263-V285 HydrophobicContact CD1-CG2 3.91Å; L263-V285 HydrophobicContact CD2-CG1 4.03Å; L263-V285 HydrophobicContact CG-CG1 4.05Å; L263-V285 HydrophobicContact CG-CG2 4.24Å; L263-V288 HydrophobicContact CD2-CB 4.48Å; L263-V288 HydrophobicContact CD2-CG1 4.44Å; L263-V288 HydrophobicContact CD2-CG2 3.2Å; L263-V288 HydrophobicContact CG-CG2 4.41Å; L263-F297 HydrophobicContact CD2-CD2 4.4Å; L263-F297 HydrophobicContact CD2-CE2 3.8Å; L263-F309 HydrophobicContact CD1-CE2 4.13Å; L263-F309 HydrophobicContact CD1-CZ 4.45Å
264	Y	96.8	Very high	94.6	Very high	1 Å²	1	29.8 Å²	29.8	0%	0.004	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	114.9	-176.3	-63	-76.7	0	0	0	109.9	L237 T255 A256 N258 D260 N262 F266 P274 V277 H439	L237-Y264 HydrophobicContact CD1-CD2 4.19Å; T255-Y264 CarbonylContact C-O 3.56Å; T255-Y264 VanDerWaalsContact CA-O 3.3Å; T255-Y264 WeakPolarHBondContact CA-O 3.42Å; A256-Y264 PolarHBondContact N-O 3.11Å; A256-Y264 PolarHBondContact O-N 3.47Å; N258-Y264 HydrophobicContact CB-CD2 3.99Å; N258-Y264 HydrophobicContact CB-CE2 3.81Å; D260-Y264 VanDerWaalsContact OD2-CE2 3.23Å; D260-Y264 WeakPolarHBondContact OD2-CE2 3.4Å; D260-Y264 VanDerWaalsContact OD2-CZ 3.23Å; D260-Y264 PolarHBondContact OD2-OH 3.07Å; N262-Y264 HydrophobicContact CB-CE2 4.12Å; N262-Y264 PolarHBondContact ND2-OH 2.94Å; Y264-F266 HydrophobicContact CG-CE2 4.28Å; Y264-F266 HydrophobicContact CG-CZ 4.5Å; Y264-P274 HydrophobicContact CD1-CB 4.27Å; Y264-P274 HydrophobicContact CD1-CG 4.25Å; Y264-V277 HydrophobicContact CD1-CB 4.42Å; Y264-V277 HydrophobicContact CD1-CG1 4.07Å; Y264-V277 HydrophobicContact CD1-CG2 3.83Å; Y264-V277 HydrophobicContact CE1-CB 4.3Å; Y264-V277 HydrophobicContact CE1-CG1 3.6Å; Y264-V277 HydrophobicContact CE1-CG2 3.79Å; Y264-H439 HydrophobicContact CE1-CB 3.96Å; Y264-H439 AromaticContact CE1-CD2 3.99Å; Y264-H439 AromaticContact CZ-CD2 3.99Å; Y264-H439 AromaticContact CZ-CG 3.98Å; Y264-H439 WeakPolarHBondContact OH-CB 3.39Å; Y264-H439 PolarHBondContact OH-CD2 3.35Å
265	T	96.6	Very high	94.4	Very high	1 Å²	1	33 Å²	33	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	120.4	170.1	-56.3	0	0	0	0	108.6	I253 F254 T255 P274 V275 M276 H278	I253-T265 HydrophobicContact CG2-CG2 3.38Å; F254-T265 CarbonylContact O-C 3.6Å; F254-T265 WeakPolarHBondContact O-CA 3.48Å; T255-T265 PolarHBondContact OG1-OG1 3.42Å; T265-P274 CarbonylContact O-C 3.57Å; T265-P274 WeakPolarHBondContact O-CA 3.18Å; T265-V275 PolarHBondContact O-N 3Å; T265-M276 PolarHBondContact N-O 2.93Å; T265-M276 PolarHBondContact O-N 2.73Å; T265-H278 PolarHBondContact OG1-CD2 3.26Å; T265-H278 PolarHBondContact OG1-NE2 3.32Å
266	F	95.9	Very high	94.3	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	149.7	-178.9	-75.9	-73.9	0	0	0	111.5	I221 L237 I253 F254 Y264 L271 P274 I440	I221-F266 HydrophobicContact CD1-CD2 4.29Å; I221-F266 HydrophobicContact CD1-CE2 3.9Å; L237-F266 HydrophobicContact CD1-CE2 4.48Å; L237-F266 HydrophobicContact CD2-CZ 3.97Å; I253-F266 WeakPolarHBondContact CA-O 3.32Å; F254-F266 HydrophobicContact CD1-CB 4.3Å; F254-F266 HydrophobicContact CD2-CB 4.36Å; F254-F266 HydrophobicContact CE1-CB 3.77Å; F254-F266 HydrophobicContact CE2-CB 3.85Å; F254-F266 AromaticContact CE2-CD2 3.81Å; F254-F266 HydrophobicContact CE2-CD2 3.81Å; F254-F266 HydrophobicContact CE2-CG 4.2Å; F254-F266 HydrophobicContact CZ-CB 3.53Å; F254-F266 HydrophobicContact CZ-CD2 4.1Å; F254-F266 HydrophobicContact CZ-CG 4.06Å; F254-F266 PolarHBondContact N-O 3.36Å; F254-F266 VanDerWaalsContact N-O 3.13Å; F254-F266 PolarHBondContact O-N 2.77Å; Y264-F266 HydrophobicContact CG-CE2 4.28Å; Y264-F266 HydrophobicContact CG-CZ 4.5Å; F266-L271 HydrophobicContact CB-CD2 4.21Å; F266-L271 HydrophobicContact CD1-CD2 4.3Å; F266-L271 HydrophobicContact CG-CD2 4.42Å; F266-P274 HydrophobicContact CD1-CB 4.12Å; F266-P274 HydrophobicContact CE1-CB 3.82Å; F266-P274 HydrophobicContact CZ-CB 4.17Å; F266-I440 HydrophobicContact CE1-CD1 3.9Å; F266-I440 HydrophobicContact CE1-CG1 4.47Å; F266-I440 HydrophobicContact CZ-CD1 4.39Å; F266-I440 HydrophobicContact CZ-CG1 4.5Å
267	D	94.9	Very high	94.2	Very high	35 Å²	35	35.2 Å²	35.2	19%	0.187	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	121.8	158.2	-178.4	-14.1	0	0	0	107.6	F252 R269 A270 L271 V275	F252-D267 WeakPolarHBondContact O-CA 3.48Å; D267-R269 PolarHBondContact O-N 2.88Å; D267-R269 VanDerWaalsContact O-N 3.09Å; D267-R269 WeakPolarHBondContact OD1-CB 3.36Å; D267-R269 PolarHBondContact OD1-N 3.23Å; D267-A270 CarbonylContact O-C 3.57Å; D267-A270 VanDerWaalsContact O-C 3.25Å; D267-A270 PolarHBondContact O-N 2.78Å; D267-A270 VanDerWaalsContact O-N 3.08Å; D267-L271 WeakPolarHBondContact O-CD2 3.3Å; D267-V275 HydrophobicContact CB-CG2 3.95Å
268	M	92.7	Very high	94.2	Very high	30 Å²	30	35.2 Å²	35.2	15%	0.148	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-31.7	178.2	-171.2	-149.6	171.5	0	0	113	L211 L223 L232 W246 F252 F254	L211-M268 HydrophobicContact CD1-CE 3.81Å; L211-M268 HydrophobicContact CD1-SD 3.66Å; L211-M268 HydrophobicContact CD2-CE 3.67Å; L211-M268 HydrophobicContact CG-CE 4.34Å; L223-M268 HydrophobicContact CD1-CB 4.41Å; L223-M268 HydrophobicContact CD1-CE 4.2Å; L223-M268 HydrophobicContact CD1-CG 3.41Å; L223-M268 VanDerWaalsContact CD1-CG 3.41Å; L232-M268 HydrophobicContact CD1-CE 3.66Å; W246-M268 HydrophobicContact CH2-CG 4.27Å; W246-M268 HydrophobicContact CZ3-CB 4.45Å; F252-M268 HydrophobicContact CB-CB 4.35Å; F252-M268 WeakPolarHBondContact O-CB 3.39Å; F252-M268 PolarHBondContact O-N 3.11Å; F254-M268 HydrophobicContact CE1-CB 4.43Å
269	R	92.9	Very high	94.1	Very high	172 Å²	172	36 Å²	36	65%	0.649	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-38.5	-178.2	-61.6	169.4	178.2	173.5	-0.6	111.4	K233 D267	K233-R269 PolarHBondContact NZ-O 2.97Å; D267-R269 PolarHBondContact O-N 2.88Å; D267-R269 VanDerWaalsContact O-N 3.09Å; D267-R269 WeakPolarHBondContact OD1-CB 3.36Å; D267-R269 PolarHBondContact OD1-N 3.23Å
270	A	91.7	Very high	94	Very high	50 Å²	50	35.9 Å²	35.9	41%	0.413	18%	0.182	S	C	.	.	B	Isolated β-bridge	trans	-126	84.2	-173.5	0	0	0	0	0	111.2	D267	D267-A270 CarbonylContact O-C 3.57Å; D267-A270 VanDerWaalsContact O-C 3.25Å; D267-A270 PolarHBondContact O-N 2.78Å; D267-A270 VanDerWaalsContact O-N 3.08Å
271	L	90.9	Very high	94.1	Very high	4 Å²	4	35 Å²	35	2%	0.021	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-9.4	-173.9	-66.2	168.9	0	0	0	114.4	L223 K233 V235 F254 F266 D267 T273 V443	L223-L271 HydrophobicContact CD1-CD1 3.83Å; K233-L271 HydrophobicContact CB-CD1 3.99Å; K233-L271 HydrophobicContact CD-CD1 3.92Å; V235-L271 HydrophobicContact CG2-CB 3.53Å; V235-L271 HydrophobicContact CG2-CD1 3.58Å; V235-L271 HydrophobicContact CG2-CD2 3.86Å; V235-L271 HydrophobicContact CG2-CG 3.82Å; F254-L271 HydrophobicContact CE1-CD2 4.17Å; F254-L271 HydrophobicContact CZ-CD2 4.06Å; F266-L271 HydrophobicContact CB-CD2 4.21Å; F266-L271 HydrophobicContact CD1-CD2 4.3Å; F266-L271 HydrophobicContact CG-CD2 4.42Å; D267-L271 WeakPolarHBondContact O-CD2 3.3Å; L271-T273 PolarHBondContact O-N 3.46Å; L271-V443 HydrophobicContact CB-CG1 4.06Å; L271-V443 HydrophobicContact CB-CG2 4.17Å
272	D	90	Very high	94.1	Very high	91 Å²	91	30.6 Å²	30.6	49%	0.487	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-20.5	-178.6	-57.7	-31.8	0	0	0	112.8	I440 V443	D272-I440 VanDerWaalsContact O-CD1 3.25Å; D272-I440 WeakPolarHBondContact O-CD1 3.49Å; D272-V443 WeakPolarHBondContact OD1-CG2 3.4Å
273	T	90.6	Very high	94.2	Very high	55 Å²	55	31.1 Å²	31.1	34%	0.337	17%	0.166	S	C	.	.	S	Bend	trans	-141.4	133.9	177.6	51	0	0	0	0	110.5	L271 K437	L271-T273 PolarHBondContact O-N 3.46Å; T273-K437 HydrophobicContact CG2-CD 3.94Å; T273-K437 HydrophobicContact CG2-CG 3.56Å
274	P	93.7	Very high	94.1	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.019	17%	0.171	C	C	.	.			trans	-70	143.5	169.2	32.8	-30	0	0	0	109.2	Y264 T265 F266 M276 V277 K436	Y264-P274 HydrophobicContact CD1-CB 4.27Å; Y264-P274 HydrophobicContact CD1-CG 4.25Å; T265-P274 CarbonylContact O-C 3.57Å; T265-P274 WeakPolarHBondContact O-CA 3.18Å; F266-P274 HydrophobicContact CD1-CB 4.12Å; F266-P274 HydrophobicContact CE1-CB 3.82Å; F266-P274 HydrophobicContact CZ-CB 4.17Å; P274-M276 VanDerWaalsContact C-N 3.34Å; P274-V277 HydrophobicContact CB-CG2 4.46Å; P274-V277 HydrophobicContact CG-CG2 3.81Å; P274-K436 WeakPolarHBondContact CD-O 3.47Å; P274-K436 HydrophobicContact CG-CB 3.96Å; P274-K436 WeakPolarHBondContact CG-O 3.34Å
275	V	93.7	Very high	94.2	Very high	67 Å²	67	31.7 Å²	31.7	41%	0.406	17%	0.171	S	C	.	.	S	Bend	trans	-61.8	-46.8	173.6	178.7	0	0	0	0	109.5	T265 D267 K436	T265-V275 PolarHBondContact O-N 3Å; D267-V275 HydrophobicContact CB-CG2 3.95Å; V275-K436 PolarHBondContact O-NZ 3.47Å
276	M	94.6	Very high	94.2	Very high	41 Å²	41	33.5 Å²	33.5	20%	0.202	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	144.9	179.9	-165.2	63.9	63.2	0	0	110.8	T265 P274 D312	T265-M276 PolarHBondContact N-O 2.93Å; T265-M276 PolarHBondContact O-N 2.73Å; P274-M276 VanDerWaalsContact C-N 3.34Å; M276-D312 WeakPolarHBondContact CE-O 3.44Å
277	V	95.4	Very high	94.3	Very high	6 Å²	6	34.2 Å²	34.2	4%	0.036	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	119.4	168.9	-174.9	0	0	0	0	107.9	N262 L263 Y264 P274 M279 S314 K436	N262-V277 HydrophobicContact CB-CG1 4.12Å; L263-V277 WeakPolarHBondContact O-CA 3.19Å; Y264-V277 HydrophobicContact CD1-CB 4.42Å; Y264-V277 HydrophobicContact CD1-CG1 4.07Å; Y264-V277 HydrophobicContact CD1-CG2 3.83Å; Y264-V277 HydrophobicContact CE1-CB 4.3Å; Y264-V277 HydrophobicContact CE1-CG1 3.6Å; Y264-V277 HydrophobicContact CE1-CG2 3.79Å; P274-V277 HydrophobicContact CB-CG2 4.46Å; P274-V277 HydrophobicContact CG-CG2 3.81Å; V277-M279 HydrophobicContact CB-CE 4.06Å; V277-M279 HydrophobicContact CG1-CE 3.56Å; V277-M279 HydrophobicContact CG1-CG 4.01Å; V277-S314 WeakPolarHBondContact O-CA 3.42Å; V277-S314 WeakPolarHBondContact O-CB 3.29Å; V277-S314 PolarHBondContact O-OG 3.07Å; V277-K436 HydrophobicContact CG2-CB 4.5Å; V277-K436 HydrophobicContact CG2-CG 4.21Å
278	H	96.4	Very high	94.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	120.4	179.4	-54.7	-80.4	0	0	0	109.4	N262 L263 T265 F297 F309 V311 K313 S314	N262-H278 WeakPolarHBondContact CA-O 3.45Å; L263-H278 HydrophobicContact CB-CB 4.09Å; L263-H278 HydrophobicContact CD1-CB 4.35Å; L263-H278 PolarHBondContact N-O 3.45Å; L263-H278 PolarHBondContact O-N 2.84Å; T265-H278 PolarHBondContact OG1-CD2 3.26Å; T265-H278 PolarHBondContact OG1-NE2 3.32Å; H278-F297 HydrophobicContact CB-CZ 4.3Å; H278-F297 AromaticContact CD2-CE1 3.96Å; H278-F297 AromaticContact CD2-CZ 3.43Å; H278-F297 VanDerWaalsContact CD2-CZ 3.43Å; H278-F297 WeakPolarHBondContact CD2-CZ 3.26Å; H278-F297 AromaticContact CE1-CE1 3.66Å; H278-F297 AromaticContact CE1-CZ 3.67Å; H278-F297 AromaticContact CG-CZ 3.6Å; H278-F297 AromaticContact ND1-CZ 3.79Å; H278-F297 AromaticContact NE2-CE1 3.5Å; H278-F297 WeakPolarHBondContact NE2-CE1 3.3Å; H278-F297 AromaticContact NE2-CZ 3.47Å; H278-F297 WeakPolarHBondContact NE2-CZ 3.29Å; H278-F309 HydrophobicContact CB-CD1 3.89Å; H278-F309 HydrophobicContact CB-CE1 3.91Å; H278-F309 HydrophobicContact CB-CG 4.39Å; H278-F309 HydrophobicContact CB-CZ 4.43Å; H278-V311 PolarHBondContact CE1-O 2.77Å; H278-V311 VanDerWaalsContact CE1-O 3.26Å; H278-K313 PolarHBondContact CE1-O 2.86Å; H278-K313 PolarHBondContact ND1-O 2.95Å; H278-S314 CarbonylContact C-O 3.45Å; H278-S314 WeakPolarHBondContact CA-O 3.33Å
279	M	93.1	Very high	94.6	Very high	16 Å²	16	31.8 Å²	31.8	8%	0.079	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	123.5	-173.2	-56.3	-178.9	-179	0	0	107.9	V277 S314 R315 K411	V277-M279 HydrophobicContact CB-CE 4.06Å; V277-M279 HydrophobicContact CG1-CE 3.56Å; V277-M279 HydrophobicContact CG1-CG 4.01Å; M279-S314 PolarHBondContact N-O 3.03Å; M279-R315 WeakPolarHBondContact O-CD 3.39Å; M279-R315 PolarHBondContact O-NH1 2.79Å; M279-K411 PolarHBondContact SD-NZ 3.25Å
280	D	93.6	Very high	94.9	Very high	40 Å²	40	23.8 Å²	23.8	21%	0.214	14%	0.142	C	C	.	.			trans	-178.3	-17.8	164.9	-93.4	-20	0	0	0	112	R307 F309 R315 S316	D280-R307 PolarHBondContact O-NE 3.43Å; D280-R307 PolarHBondContact O-NH2 2.99Å; D280-F309 HydrophobicContact CB-CE1 4.27Å; D280-F309 HydrophobicContact CB-CZ 4.04Å; D280-R315 WeakPolarHBondContact OD1-CD 3.4Å; D280-R315 IonicContact OD1-CZ 2.56Å; D280-R315 IonicContact OD1-NE 3.82Å; D280-R315 IonicContact OD1-NH1 3.17Å; D280-R315 PolarHBondContact OD1-NH1 2.95Å; D280-S316 VanDerWaalsContact OD2-CB 3.3Å; D280-S316 WeakPolarHBondContact OD2-CB 3.29Å; D280-S316 PolarHBondContact OD2-N 3.5Å; D280-S316 PolarHBondContact OD2-OG 3.48Å
281	H	96.1	Very high	95.1	Very high	5 Å²	5	21.5 Å²	21.5	2%	0.023	12%	0.122	C	C	.	.			trans	-68	155.1	173.4	-63.2	-80.6	0	0	0	112.3	Y261 V285 S299 S301 R307 F309	Y261-H281 WeakPolarHBondContact O-CB 3.21Å; H281-V285 HydrophobicContact CB-CG2 4.18Å; H281-V285 VanDerWaalsContact CD2-CG2 3.49Å; H281-V285 WeakPolarHBondContact CD2-CG2 3.45Å; H281-S299 PolarHBondContact CE1-OG 2.87Å; H281-S299 WeakPolarHBondContact NE2-CB 3.42Å; H281-S299 PolarHBondContact NE2-OG 2.86Å; H281-S301 WeakPolarHBondContact ND1-CB 3.36Å; H281-R307 VanDerWaalsContact CA-NH1 3.34Å; H281-R307 PolarHBondContact ND1-NH1 2.97Å; H281-F309 AromaticContact NE2-CE2 3.88Å
282	V	95.3	Very high	95.3	Very high	6 Å²	6	23.1 Å²	23.1	4%	0.036	13%	0.133	C	C	.	.	S	Bend	trans	-104.6	-30.3	-178.6	-178.2	0	0	0	0	111.2	D303 I400 Q403 I404 Q407	V282-D303 HydrophobicContact CB-CB 4.13Å; V282-D303 PolarHBondContact N-OD2 3.34Å; V282-D303 VanDerWaalsContact N-OD2 3.11Å; V282-I400 HydrophobicContact CG2-CG2 3.89Å; V282-Q403 HydrophobicContact CG1-CB 3.29Å; V282-Q403 HydrophobicContact CG1-CG 4.15Å; V282-I404 HydrophobicContact CG2-CD1 4.07Å; V282-I404 HydrophobicContact CG2-CG1 3.41Å; V282-I404 VanDerWaalsContact CG2-CG1 3.41Å; V282-Q407 PolarHBondContact O-NE2 3.43Å
283	S	96	Very high	95.6	Very high	31 Å²	31	21.4 Å²	21.4	22%	0.217	13%	0.126	C	C	.	.	S	Bend	trans	-123.6	178.4	177.4	-162.6	0	0	0	0	110.6	Y261 V285 S301	Y261-S283 VanDerWaalsContact CD1-CA 3.41Å; Y261-S283 WeakPolarHBondContact CD1-O 3.4Å; S283-V285 PolarHBondContact O-N 3.17Å; S283-S301 PolarHBondContact O-OG 2.99Å
284	A	96.2	Very high	95.8	Very high	13 Å²	13	19.1 Å²	19.1	11%	0.107	11%	0.113	C	C	.	.			trans	-51.6	138.1	-177.1	0	0	0	0	0	111.4	E259 S301 F302	E259-A284 HydrophobicContact CB-CB 4.23Å; E259-A284 HydrophobicContact CG-CB 4.08Å; A284-S301 VanDerWaalsContact O-CA 3.31Å; A284-S301 WeakPolarHBondContact O-CA 3.32Å; A284-S301 WeakPolarHBondContact O-CB 3.34Å; A284-S301 PolarHBondContact O-OG 2.89Å; A284-F302 PolarHBondContact O-N 2.97Å
285	V	97.7	Very high	95.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	119.9	174.7	-170	0	0	0	0	107.7	N242 A257 N258 L263 H281 S283 V288 A300	N242-V285 PolarHBondContact ND2-O 3Å; A257-V285 HydrophobicContact CB-CB 4.11Å; A257-V285 HydrophobicContact CB-CG1 3.82Å; N258-V285 PolarHBondContact O-N 3.49Å; N258-V285 VanDerWaalsContact O-N 3.12Å; L263-V285 HydrophobicContact CD1-CG1 4.2Å; L263-V285 HydrophobicContact CD1-CG2 3.91Å; L263-V285 HydrophobicContact CD2-CG1 4.03Å; L263-V285 HydrophobicContact CG-CG1 4.05Å; L263-V285 HydrophobicContact CG-CG2 4.24Å; H281-V285 HydrophobicContact CB-CG2 4.18Å; H281-V285 VanDerWaalsContact CD2-CG2 3.49Å; H281-V285 WeakPolarHBondContact CD2-CG2 3.45Å; S283-V285 PolarHBondContact O-N 3.17Å; V285-V288 HydrophobicContact CG1-CG2 4.28Å; V285-A300 CarbonylContact C-O 3.57Å; V285-A300 WeakPolarHBondContact CA-O 3.12Å; V285-A300 VanDerWaalsContact CG1-O 3.28Å; V285-A300 WeakPolarHBondContact CG1-O 3.32Å
286	L	96.6	Very high	96	Very high	38 Å²	38	25.1 Å²	25.1	20%	0.199	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	-44.1	-173.3	-64.1	-174.4	0	0	0	112.1	T243 A300 F302 V328 I329	T243-L286 VanDerWaalsContact CG2-O 3.26Å; T243-L286 WeakPolarHBondContact CG2-O 3.44Å; T243-L286 PolarHBondContact OG1-O 2.94Å; L286-A300 PolarHBondContact N-O 3.09Å; L286-F302 HydrophobicContact CD1-CB 4.36Å; L286-F302 HydrophobicContact CD1-CD2 4.13Å; L286-F302 HydrophobicContact CG-CB 4.42Å; L286-V328 WeakPolarHBondContact CD1-O 3.31Å; L286-I329 HydrophobicContact CD1-CG1 4.43Å
287	D	97.4	Very high	96.2	Very high	16 Å²	16	23.2 Å²	23.2	9%	0.086	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	155.2	-176.8	-165	22.1	0	0	0	113.2	T243 S299 A300 I329 C330 V331	T243-D287 WeakPolarHBondContact OG1-CA 3.44Å; T243-D287 PolarHBondContact OG1-OD1 2.97Å; D287-S299 CarbonylContact O-C 3.54Å; D287-S299 WeakPolarHBondContact O-CA 3.24Å; D287-A300 HydrophobicContact CB-CB 4.42Å; D287-A300 PolarHBondContact N-O 2.66Å; D287-A300 PolarHBondContact O-N 3.41Å; D287-I329 WeakPolarHBondContact CB-O 3.39Å; D287-C330 WeakPolarHBondContact OD2-CA 3.43Å; D287-V331 HydrophobicContact CB-CG1 4.27Å; D287-V331 PolarHBondContact OD2-N 2.9Å; D287-V331 VanDerWaalsContact OD2-O 3.13Å
288	V	97.7	Very high	96.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	137.3	-178.4	173.9	0	0	0	0	109.8	T243 C245 T255 A257 L263 V285 F297 V298	T243-V288 PolarHBondContact OG1-N 3.27Å; C245-V288 HydrophobicContact CB-CB 4.38Å; C245-V288 HydrophobicContact CB-CG1 3.97Å; C245-V288 WeakPolarHBondContact CB-O 3.44Å; T255-V288 HydrophobicContact CG2-CG1 4.28Å; A257-V288 HydrophobicContact CB-CG2 3.59Å; L263-V288 HydrophobicContact CD2-CB 4.48Å; L263-V288 HydrophobicContact CD2-CG1 4.44Å; L263-V288 HydrophobicContact CD2-CG2 3.2Å; L263-V288 HydrophobicContact CG-CG2 4.41Å; V285-V288 HydrophobicContact CG1-CG2 4.28Å; V288-F297 HydrophobicContact CG1-CD2 4.13Å; V288-V298 VanDerWaalsContact CA-O 3.31Å; V288-V298 WeakPolarHBondContact CA-O 3.48Å
289	D	97.9	Very high	96.4	Very high	13 Å²	13	22.9 Å²	22.9	7%	0.07	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	133.4	172	-156.1	56	0	0	0	111.2	K74 F297 V298 V331 K332 W333	K74-D289 IonicContact NZ-OD2 2.88Å; D289-F297 CarbonylContact O-C 3.48Å; D289-F297 WeakPolarHBondContact O-CA 3.45Å; D289-F297 WeakPolarHBondContact O-CB 3.47Å; D289-V298 PolarHBondContact N-O 2.97Å; D289-V298 PolarHBondContact O-N 3.42Å; D289-V331 WeakPolarHBondContact CB-O 3.35Å; D289-K332 HydrophobicContact CB-CD 4.12Å; D289-K332 VanDerWaalsContact CG-CD 3.47Å; D289-K332 WeakPolarHBondContact OD1-CD 3.3Å; D289-K332 IonicContact OD1-NZ 3.89Å; D289-K332 PolarHBondContact OD1-NZ 2.76Å; D289-K332 WeakPolarHBondContact OD2-CA 3.23Å; D289-W333 PolarHBondContact OD2-N 2.78Å
290	Y	97.6	Very high	96.6	Very high	5 Å²	5	22.1 Å²	22.1	2%	0.02	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	144.3	174.9	-90.5	-96.9	0	0	0	111.6	C245 W246 N247 P248 T255 F297 V311	C245-Y290 HydrophobicContact CB-CD2 3.98Å; C245-Y290 HydrophobicContact CB-CE2 4.48Å; C245-Y290 WeakPolarHBondContact O-CE2 3.39Å; C245-Y290 PolarHBondContact SG-N 3.5Å; W246-Y290 WeakPolarHBondContact O-CD2 3.21Å; N247-Y290 HydrophobicContact CB-CD1 4.15Å; N247-Y290 HydrophobicContact CB-CE1 3.78Å; P248-Y290 VanDerWaalsContact CD-CB 3.46Å; T255-Y290 PolarHBondContact OG1-OH 3.13Å; Y290-F297 HydrophobicContact CD1-CB 4.1Å; Y290-F297 HydrophobicContact CD2-CB 4.24Å; Y290-F297 HydrophobicContact CE1-CB 4.38Å; Y290-F297 HydrophobicContact CE1-CD1 4.31Å; Y290-F297 HydrophobicContact CE2-CB 4.49Å; Y290-F297 HydrophobicContact CG-CB 4.05Å; Y290-V311 HydrophobicContact CD1-CG2 4.46Å; Y290-V311 HydrophobicContact CE1-CG2 3.65Å
291	S	96.8	Very high	96.8	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.007	11%	0.109	C	C	.	.			trans	-61.7	144.2	161.5	68	0	0	0	0	109.1	P248 T293 G294 E296	P248-S291 WeakPolarHBondContact CG-O 3.47Å; S291-T293 PolarHBondContact O-N 2.78Å; S291-T293 PolarHBondContact OG-OG1 3.01Å; S291-G294 PolarHBondContact O-N 3.05Å; S291-E296 VanDerWaalsContact CB-O 3.23Å; S291-E296 WeakPolarHBondContact CB-O 3.47Å; S291-E296 PolarHBondContact N-O 2.97Å; S291-E296 PolarHBondContact OG-N 2.91Å; S291-E296 PolarHBondContact OG-O 3.44Å
292	P	94.9	Very high	96.8	Very high	38 Å²	38	24.4 Å²	24.4	25%	0.247	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-20.9	174.2	-26.1	33.5	0	0	0	113.9	G294 T334 S335	P292-G294 VanDerWaalsContact C-N 3.31Å; P292-T334 WeakPolarHBondContact CG-O 3.45Å; P292-S335 WeakPolarHBondContact CG-O 3.42Å
293	T	95.9	Very high	96.8	Very high	56 Å²	56	24.7 Å²	24.7	34%	0.344	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-13.7	176.2	71.1	0	0	0	0	114.2	M249 S291 K295	M249-T293 WeakPolarHBondContact CG-O 3.36Å; S291-T293 PolarHBondContact O-N 2.78Å; S291-T293 PolarHBondContact OG-OG1 3.01Å; T293-K295 PolarHBondContact O-N 3.37Å
294	G	95.3	Very high	96.7	Very high	7 Å²	7	26.9 Å²	26.9	7%	0.072	13%	0.134	C	C	.	.	S	Bend	trans	72.6	-2.8	-177.8	0	0	0	0	0	116	N247 S291 P292 V311	N247-G294 PolarHBondContact ND2-O 3.15Å; N247-G294 WeakPolarHBondContact OD1-CA 3.42Å; S291-G294 PolarHBondContact O-N 3.05Å; P292-G294 VanDerWaalsContact C-N 3.31Å; G294-V311 WeakPolarHBondContact O-CG2 3.36Å
295	K	95.4	Very high	96.7	Very high	157 Å²	157	26.3 Å²	26.3	68%	0.683	13%	0.129	S	C	*	.	S	Bend	trans	-88.1	-26.3	-174.9	-64.6	-176.5	-179.9	-179.5	0	114.3	T293 V311	T293-K295 PolarHBondContact O-N 3.37Å; K295-V311 WeakPolarHBondContact O-CG2 3.44Å; K295-V311 PolarHBondContact O-N 2.92Å
296	E	97.1	Very high	96.7	Very high	39 Å²	39	26.3 Å²	26.3	18%	0.182	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	156.1	-179.1	-57.4	-173	146	0	0	109.6	S291 F309 R317 W333	S291-E296 VanDerWaalsContact CB-O 3.23Å; S291-E296 WeakPolarHBondContact CB-O 3.47Å; S291-E296 PolarHBondContact N-O 2.97Å; S291-E296 PolarHBondContact OG-N 2.91Å; S291-E296 PolarHBondContact OG-O 3.44Å; E296-F309 CarbonylContact C-O 3.57Å; E296-F309 VanDerWaalsContact CA-O 3.26Å; E296-F309 WeakPolarHBondContact CA-O 3.41Å; E296-R317 IonicContact OE1-CZ 2.86Å; E296-R317 IonicContact OE1-NE 3.99Å; E296-R317 IonicContact OE1-NH1 2.8Å; E296-R317 PolarHBondContact OE1-NH1 3.47Å; E296-R317 IonicContact OE2-CZ 2.68Å; E296-R317 IonicContact OE2-NH1 2.9Å; E296-R317 PolarHBondContact OE2-NH1 3.33Å; E296-R317 IonicContact OE2-NH2 3.88Å; E296-W333 HydrophobicContact CB-CH2 3.87Å; E296-W333 HydrophobicContact CB-CZ3 4.11Å
297	F	98	Very high	96.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	158.5	170.8	62.9	-92.4	0	0	0	110	T255 L263 H278 V288 D289 Y290 F309 V311	T255-F297 HydrophobicContact CG2-CE2 4.37Å; T255-F297 HydrophobicContact CG2-CZ 4.35Å; L263-F297 HydrophobicContact CD2-CD2 4.4Å; L263-F297 HydrophobicContact CD2-CE2 3.8Å; H278-F297 HydrophobicContact CB-CZ 4.3Å; H278-F297 AromaticContact CD2-CE1 3.96Å; H278-F297 AromaticContact CD2-CZ 3.43Å; H278-F297 VanDerWaalsContact CD2-CZ 3.43Å; H278-F297 WeakPolarHBondContact CD2-CZ 3.26Å; H278-F297 AromaticContact CE1-CE1 3.66Å; H278-F297 AromaticContact CE1-CZ 3.67Å; H278-F297 AromaticContact CG-CZ 3.6Å; H278-F297 AromaticContact ND1-CZ 3.79Å; H278-F297 AromaticContact NE2-CE1 3.5Å; H278-F297 WeakPolarHBondContact NE2-CE1 3.3Å; H278-F297 AromaticContact NE2-CZ 3.47Å; H278-F297 WeakPolarHBondContact NE2-CZ 3.29Å; V288-F297 HydrophobicContact CG1-CD2 4.13Å; D289-F297 CarbonylContact O-C 3.48Å; D289-F297 WeakPolarHBondContact O-CA 3.45Å; D289-F297 WeakPolarHBondContact O-CB 3.47Å; Y290-F297 HydrophobicContact CD1-CB 4.1Å; Y290-F297 HydrophobicContact CD2-CB 4.24Å; Y290-F297 HydrophobicContact CE1-CB 4.38Å; Y290-F297 HydrophobicContact CE1-CD1 4.31Å; Y290-F297 HydrophobicContact CE2-CB 4.49Å; Y290-F297 HydrophobicContact CG-CB 4.05Å; F297-F309 HydrophobicContact CD1-CB 4.35Å; F297-F309 HydrophobicContact CD2-CB 4.13Å; F297-F309 HydrophobicContact CD2-CD2 4.47Å; F297-F309 HydrophobicContact CE1-CB 3.74Å; F297-F309 HydrophobicContact CE2-CB 3.44Å; F297-F309 VanDerWaalsContact CE2-CB 3.44Å; F297-F309 AromaticContact CE2-CD2 3.67Å; F297-F309 HydrophobicContact CE2-CD2 3.67Å; F297-F309 AromaticContact CE2-CG 3.81Å; F297-F309 HydrophobicContact CE2-CG 3.81Å; F297-F309 HydrophobicContact CZ-CB 3.23Å; F297-F309 HydrophobicContact CZ-CD2 4.17Å; F297-F309 AromaticContact CZ-CG 3.83Å; F297-F309 HydrophobicContact CZ-CG 3.83Å; F297-F309 PolarHBondContact N-O 2.8Å; F297-F309 PolarHBondContact O-N 3.09Å; F297-V311 HydrophobicContact CD1-CG2 3.96Å; F297-V311 HydrophobicContact CE1-CG2 4.37Å
298	V	98.2	Very high	96.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	148.2	173.7	177.5	0	0	0	0	108.9	V288 D289 I306 R307 I308 V331 W333 I340	V288-V298 VanDerWaalsContact CA-O 3.31Å; V288-V298 WeakPolarHBondContact CA-O 3.48Å; D289-V298 PolarHBondContact N-O 2.97Å; D289-V298 PolarHBondContact O-N 3.42Å; V298-I306 HydrophobicContact CG1-CG2 3.29Å; V298-R307 WeakPolarHBondContact CA-O 3.46Å; V298-I308 HydrophobicContact CG2-CG1 3.97Å; V298-I308 HydrophobicContact CG2-CG2 4.47Å; V298-V331 HydrophobicContact CB-CG2 4.24Å; V298-V331 HydrophobicContact CG1-CB 4.36Å; V298-V331 HydrophobicContact CG1-CG1 4.09Å; V298-V331 HydrophobicContact CG1-CG2 3.39Å; V298-W333 HydrophobicContact CB-CE3 4.14Å; V298-W333 HydrophobicContact CB-CZ3 4.29Å; V298-W333 HydrophobicContact CG2-CD2 4.17Å; V298-W333 HydrophobicContact CG2-CE3 3.26Å; V298-W333 HydrophobicContact CG2-CH2 4.07Å; V298-W333 HydrophobicContact CG2-CZ3 3.2Å; V298-I340 HydrophobicContact CB-CG2 4.4Å; V298-I340 HydrophobicContact CG1-CG2 3.88Å; V298-I340 HydrophobicContact CG2-CD1 3.47Å; V298-I340 VanDerWaalsContact CG2-CD1 3.47Å; V298-I340 HydrophobicContact CG2-CG1 3.66Å; V298-I340 HydrophobicContact CG2-CG2 4.06Å
299	S	98.1	Very high	96.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	140.7	174.7	55.6	0	0	0	0	110.4	H281 D287 I306 R307 F309	H281-S299 PolarHBondContact CE1-OG 2.87Å; H281-S299 WeakPolarHBondContact NE2-CB 3.42Å; H281-S299 PolarHBondContact NE2-OG 2.86Å; D287-S299 CarbonylContact O-C 3.54Å; D287-S299 WeakPolarHBondContact O-CA 3.24Å; S299-I306 WeakPolarHBondContact O-CA 3.3Å; S299-R307 PolarHBondContact N-O 3.26Å; S299-R307 PolarHBondContact O-N 2.93Å; S299-R307 PolarHBondContact OG-O 3.19Å; S299-F309 VanDerWaalsContact OG-CE2 3.23Å; S299-F309 WeakPolarHBondContact OG-CE2 3.43Å
300	A	97.4	Very high	96.8	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	137.6	173.8	0	0	0	0	0	109.7	V285 L286 D287 V328 V331	V285-A300 CarbonylContact C-O 3.57Å; V285-A300 WeakPolarHBondContact CA-O 3.12Å; V285-A300 VanDerWaalsContact CG1-O 3.28Å; V285-A300 WeakPolarHBondContact CG1-O 3.32Å; L286-A300 PolarHBondContact N-O 3.09Å; D287-A300 HydrophobicContact CB-CB 4.42Å; D287-A300 PolarHBondContact N-O 2.66Å; D287-A300 PolarHBondContact O-N 3.41Å; A300-V328 HydrophobicContact CB-CB 3.95Å; A300-V328 HydrophobicContact CB-CG1 3.5Å; A300-V328 VanDerWaalsContact CB-CG1 3.5Å; A300-V331 HydrophobicContact CB-CB 3.88Å; A300-V331 HydrophobicContact CB-CG1 3.88Å
301	S	97.1	Very high	96.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	154.9	178.5	174.5	0	0	0	0	111.9	H281 S283 A284 D303 K304 S305 V328	H281-S301 WeakPolarHBondContact ND1-CB 3.36Å; S283-S301 PolarHBondContact O-OG 2.99Å; A284-S301 VanDerWaalsContact O-CA 3.31Å; A284-S301 WeakPolarHBondContact O-CA 3.32Å; A284-S301 WeakPolarHBondContact O-CB 3.34Å; A284-S301 PolarHBondContact O-OG 2.89Å; S301-D303 VanDerWaalsContact CB-OD1 3.32Å; S301-D303 WeakPolarHBondContact CB-OD1 3.1Å; S301-D303 PolarHBondContact O-N 3.25Å; S301-D303 VanDerWaalsContact O-N 3.15Å; S301-D303 PolarHBondContact OG-N 3.28Å; S301-D303 VanDerWaalsContact OG-N 3.11Å; S301-D303 PolarHBondContact OG-OD1 3.38Å; S301-K304 PolarHBondContact O-N 3.09Å; S301-S305 PolarHBondContact N-O 3Å; S301-V328 PolarHBondContact O-N 2.84Å
302	F	96.6	Very high	96.5	Very high	93 Å²	93	30.8 Å²	30.8	41%	0.408	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-14.3	167.9	-163.2	-97.8	0	0	0	112.6	A284 L286 K304 H327	A284-F302 PolarHBondContact O-N 2.97Å; L286-F302 HydrophobicContact CD1-CB 4.36Å; L286-F302 HydrophobicContact CD1-CD2 4.13Å; L286-F302 HydrophobicContact CG-CB 4.42Å; F302-K304 PolarHBondContact O-N 3.34Å; F302-K304 VanDerWaalsContact O-N 3.11Å; F302-H327 AromaticContact CD1-CE1 3.68Å; F302-H327 AromaticContact CD1-ND1 3.51Å; F302-H327 HydrophobicContact CD2-CB 3.92Å; F302-H327 AromaticContact CD2-CG 3.71Å; F302-H327 AromaticContact CD2-ND1 3.51Å; F302-H327 AromaticContact CE1-CE1 3.23Å; F302-H327 WeakPolarHBondContact CE1-CE1 3.22Å; F302-H327 AromaticContact CE1-ND1 3.49Å; F302-H327 WeakPolarHBondContact CE1-ND1 3.19Å; F302-H327 AromaticContact CE1-NE2 3.97Å; F302-H327 HydrophobicContact CE2-CB 4.03Å; F302-H327 AromaticContact CE2-CD2 3.86Å; F302-H327 AromaticContact CE2-CE1 3.8Å; F302-H327 AromaticContact CE2-CG 3.5Å; F302-H327 VanDerWaalsContact CE2-CG 3.5Å; F302-H327 AromaticContact CE2-ND1 3.48Å; F302-H327 WeakPolarHBondContact CE2-ND1 3.33Å; F302-H327 AromaticContact CG-ND1 3.54Å; F302-H327 AromaticContact CZ-CD2 3.89Å; F302-H327 AromaticContact CZ-CE1 3.3Å; F302-H327 WeakPolarHBondContact CZ-CE1 3.44Å; F302-H327 AromaticContact CZ-CG 3.82Å; F302-H327 AromaticContact CZ-ND1 3.47Å; F302-H327 WeakPolarHBondContact CZ-ND1 3.44Å; F302-H327 AromaticContact CZ-NE2 3.62Å; F302-H327 PolarHBondContact O-CE1 3.38Å; F302-H327 PolarHBondContact O-ND1 3.47Å
303	D	94.4	Very high	96.5	Very high	12 Å²	12	34.8 Å²	34.8	6%	0.064	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	12.1	175.5	75.9	1.5	0	0	0	114.7	V282 S301 S305 R307 I400	V282-D303 HydrophobicContact CB-CB 4.13Å; V282-D303 PolarHBondContact N-OD2 3.34Å; V282-D303 VanDerWaalsContact N-OD2 3.11Å; S301-D303 VanDerWaalsContact CB-OD1 3.32Å; S301-D303 WeakPolarHBondContact CB-OD1 3.1Å; S301-D303 PolarHBondContact O-N 3.25Å; S301-D303 VanDerWaalsContact O-N 3.15Å; S301-D303 PolarHBondContact OG-N 3.28Å; S301-D303 VanDerWaalsContact OG-N 3.11Å; S301-D303 PolarHBondContact OG-OD1 3.38Å; D303-S305 VanDerWaalsContact C-N 3.26Å; D303-S305 PolarHBondContact O-N 2.78Å; D303-S305 WeakPolarHBondContact OD1-CB 3.29Å; D303-S305 PolarHBondContact OD1-N 3.29Å; D303-S305 PolarHBondContact OD1-OG 2.97Å; D303-R307 IonicContact OD1-NH1 3.94Å; D303-R307 IonicContact OD2-CZ 3.53Å; D303-R307 IonicContact OD2-NH1 2.66Å; D303-R307 PolarHBondContact OD2-NH1 3.29Å; D303-R307 IonicContact OD2-NH2 3.09Å; D303-R307 PolarHBondContact OD2-NH2 2.91Å; D303-I400 WeakPolarHBondContact O-CD1 3.4Å
304	K	95.4	Very high	96.4	Very high	77 Å²	77	34 Å²	34	34%	0.335	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	26.4	177.9	-44.4	179.6	179.7	-170.8	0	113.1	S301 F302 M325 Q326	S301-K304 PolarHBondContact O-N 3.09Å; F302-K304 PolarHBondContact O-N 3.34Å; F302-K304 VanDerWaalsContact O-N 3.11Å; K304-M325 WeakPolarHBondContact O-CE 3.16Å; K304-Q326 WeakPolarHBondContact CA-O 3.34Å; K304-Q326 WeakPolarHBondContact CB-O 3.37Å
305	S	96.3	Very high	96.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	155.9	179.8	81	0	0	0	0	112.7	S301 D303 R307 Y320	S301-S305 PolarHBondContact N-O 3Å; D303-S305 VanDerWaalsContact C-N 3.26Å; D303-S305 PolarHBondContact O-N 2.78Å; D303-S305 WeakPolarHBondContact OD1-CB 3.29Å; D303-S305 PolarHBondContact OD1-N 3.29Å; D303-S305 PolarHBondContact OD1-OG 2.97Å; S305-R307 PolarHBondContact OG-NH1 2.92Å; S305-Y320 WeakPolarHBondContact CA-O 3.47Å
306	I	97.5	Very high	96.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	132.4	175	-60.2	156.6	0	0	0	106.7	V298 S299 V319 Y320 M325 V328 V331 I340 C342	V298-I306 HydrophobicContact CG1-CG2 3.29Å; S299-I306 WeakPolarHBondContact O-CA 3.3Å; I306-V319 CarbonylContact O-C 3.51Å; I306-V319 WeakPolarHBondContact O-CA 3.31Å; I306-Y320 PolarHBondContact N-O 3.32Å; I306-Y320 PolarHBondContact O-N 3Å; I306-M325 HydrophobicContact CD1-CE 4.03Å; I306-M325 HydrophobicContact CD1-SD 4.07Å; I306-M325 HydrophobicContact CG1-CE 4.17Å; I306-V328 HydrophobicContact CD1-CG1 4.44Å; I306-V328 HydrophobicContact CG1-CG1 4.03Å; I306-V328 HydrophobicContact CG1-CG2 4.2Å; I306-V331 HydrophobicContact CG2-CG2 4.35Å; I306-I340 HydrophobicContact CG2-CG2 4.47Å; I306-C342 HydrophobicContact CD1-CB 3.43Å; I306-C342 VanDerWaalsContact CD1-CB 3.43Å; I306-C342 WeakPolarHBondContact CD1-SG 3.49Å; I306-C342 HydrophobicContact CG1-CB 4.25Å
307	R	97.7	Very high	96.3	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.015	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	134.9	178.7	-64.9	-169.8	169.1	78.3	-8.3	110.3	D280 H281 V298 S299 D303 S305 F309 E318 V319	D280-R307 PolarHBondContact O-NE 3.43Å; D280-R307 PolarHBondContact O-NH2 2.99Å; H281-R307 VanDerWaalsContact CA-NH1 3.34Å; H281-R307 PolarHBondContact ND1-NH1 2.97Å; V298-R307 WeakPolarHBondContact CA-O 3.46Å; S299-R307 PolarHBondContact N-O 3.26Å; S299-R307 PolarHBondContact O-N 2.93Å; S299-R307 PolarHBondContact OG-O 3.19Å; D303-R307 IonicContact OD1-NH1 3.94Å; D303-R307 IonicContact OD2-CZ 3.53Å; D303-R307 IonicContact OD2-NH1 2.66Å; D303-R307 PolarHBondContact OD2-NH1 3.29Å; D303-R307 IonicContact OD2-NH2 3.09Å; D303-R307 PolarHBondContact OD2-NH2 2.91Å; S305-R307 PolarHBondContact OG-NH1 2.92Å; R307-F309 HydrophobicContact CB-CD2 4.13Å; R307-F309 HydrophobicContact CB-CE2 3.46Å; R307-F309 VanDerWaalsContact CB-CE2 3.46Å; R307-F309 HydrophobicContact CB-CZ 4.07Å; R307-E318 WeakPolarHBondContact CA-O 3.17Å; R307-V319 HydrophobicContact CG-CB 4.44Å; R307-V319 HydrophobicContact CG-CG1 4.11Å; R307-V319 HydrophobicContact CG-CG2 4Å
308	I	98	Very high	96.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	127.4	175.2	-51.3	174.7	0	0	0	108.1	V298 S316 R317 E318 Y320 W333 I340 A354	V298-I308 HydrophobicContact CG2-CG1 3.97Å; V298-I308 HydrophobicContact CG2-CG2 4.47Å; I308-S316 CarbonylContact O-C 3.59Å; I308-S316 WeakPolarHBondContact O-CA 3.19Å; I308-R317 PolarHBondContact O-N 2.95Å; I308-E318 HydrophobicContact CD1-CB 4.29Å; I308-E318 PolarHBondContact N-O 2.86Å; I308-Y320 HydrophobicContact CD1-CE2 3.85Å; I308-W333 HydrophobicContact CG2-CH2 3.92Å; I308-W333 HydrophobicContact CG2-CZ3 4.16Å; I308-I340 HydrophobicContact CD1-CD1 3.36Å; I308-I340 HydrophobicContact CG1-CD1 3.78Å; I308-A354 VanDerWaalsContact CD1-O 3.24Å; I308-A354 WeakPolarHBondContact CD1-O 3.17Å
309	F	97.8	Very high	96.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	132.5	-179.5	-70.2	-91.1	0	0	0	110.4	L263 H278 D280 H281 E296 F297 S299 R307	L263-F309 HydrophobicContact CD1-CE2 4.13Å; L263-F309 HydrophobicContact CD1-CZ 4.45Å; H278-F309 HydrophobicContact CB-CD1 3.89Å; H278-F309 HydrophobicContact CB-CE1 3.91Å; H278-F309 HydrophobicContact CB-CG 4.39Å; H278-F309 HydrophobicContact CB-CZ 4.43Å; D280-F309 HydrophobicContact CB-CE1 4.27Å; D280-F309 HydrophobicContact CB-CZ 4.04Å; H281-F309 AromaticContact NE2-CE2 3.88Å; E296-F309 CarbonylContact C-O 3.57Å; E296-F309 VanDerWaalsContact CA-O 3.26Å; E296-F309 WeakPolarHBondContact CA-O 3.41Å; F297-F309 HydrophobicContact CD1-CB 4.35Å; F297-F309 HydrophobicContact CD2-CB 4.13Å; F297-F309 HydrophobicContact CD2-CD2 4.47Å; F297-F309 HydrophobicContact CE1-CB 3.74Å; F297-F309 HydrophobicContact CE2-CB 3.44Å; F297-F309 VanDerWaalsContact CE2-CB 3.44Å; F297-F309 AromaticContact CE2-CD2 3.67Å; F297-F309 HydrophobicContact CE2-CD2 3.67Å; F297-F309 AromaticContact CE2-CG 3.81Å; F297-F309 HydrophobicContact CE2-CG 3.81Å; F297-F309 HydrophobicContact CZ-CB 3.23Å; F297-F309 HydrophobicContact CZ-CD2 4.17Å; F297-F309 AromaticContact CZ-CG 3.83Å; F297-F309 HydrophobicContact CZ-CG 3.83Å; F297-F309 PolarHBondContact N-O 2.8Å; F297-F309 PolarHBondContact O-N 3.09Å; S299-F309 VanDerWaalsContact OG-CE2 3.23Å; S299-F309 WeakPolarHBondContact OG-CE2 3.43Å; R307-F309 HydrophobicContact CB-CD2 4.13Å; R307-F309 HydrophobicContact CB-CE2 3.46Å; R307-F309 VanDerWaalsContact CB-CE2 3.46Å; R307-F309 HydrophobicContact CB-CZ 4.07Å
310	P	96.7	Very high	96.1	Very high	16 Å²	16	37.8 Å²	37.8	10%	0.104	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	139.6	159.7	-18.1	34.8	0	0	0	109.7	D312 K313 R317	P310-D312 PolarHBondContact O-N 2.8Å; P310-D312 VanDerWaalsContact O-N 3.16Å; P310-K313 HydrophobicContact CB-CB 4.23Å; P310-K313 HydrophobicContact CB-CD 4.31Å; P310-K313 HydrophobicContact CB-CG 4.27Å; P310-K313 HydrophobicContact CG-CB 4.4Å; P310-K313 HydrophobicContact CG-CD 4.13Å; P310-K313 PolarHBondContact O-N 2.97Å; P310-R317 HydrophobicContact CG-CB 4.17Å
311	V	94.9	Very high	96	Very high	13 Å²	13	40.3 Å²	40.3	8%	0.079	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-35	-176.8	176	0	0	0	0	112.2	H278 Y290 G294 K295 F297 K313	H278-V311 PolarHBondContact CE1-O 2.77Å; H278-V311 VanDerWaalsContact CE1-O 3.26Å; Y290-V311 HydrophobicContact CD1-CG2 4.46Å; Y290-V311 HydrophobicContact CE1-CG2 3.65Å; G294-V311 WeakPolarHBondContact O-CG2 3.36Å; K295-V311 WeakPolarHBondContact O-CG2 3.44Å; K295-V311 PolarHBondContact O-N 2.92Å; F297-V311 HydrophobicContact CD1-CG2 3.96Å; F297-V311 HydrophobicContact CE1-CG2 4.37Å; V311-K313 VanDerWaalsContact C-N 3.33Å; V311-K313 PolarHBondContact O-N 2.99Å
312	D	94.5	Very high	95.9	Very high	135 Å²	135	42.2 Å²	42.2	72%	0.722	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-4.9	-177.2	-53.4	-41.6	0	0	0	114.3	M276 P310	M276-D312 WeakPolarHBondContact CE-O 3.44Å; P310-D312 PolarHBondContact O-N 2.8Å; P310-D312 VanDerWaalsContact O-N 3.16Å
313	K	94.4	Very high	95.7	Very high	122 Å²	122	47.7 Å²	47.7	53%	0.53	23%	0.225	S	C	.	.			trans	-123	123.9	-171.5	-65.1	-174.9	-171.7	169.1	0	111.6	H278 P310 V311 R315	H278-K313 PolarHBondContact CE1-O 2.86Å; H278-K313 PolarHBondContact ND1-O 2.95Å; P310-K313 HydrophobicContact CB-CB 4.23Å; P310-K313 HydrophobicContact CB-CD 4.31Å; P310-K313 HydrophobicContact CB-CG 4.27Å; P310-K313 HydrophobicContact CG-CB 4.4Å; P310-K313 HydrophobicContact CG-CD 4.13Å; P310-K313 PolarHBondContact O-N 2.97Å; V311-K313 VanDerWaalsContact C-N 3.33Å; V311-K313 PolarHBondContact O-N 2.99Å; K313-R315 PolarHBondContact O-N 3.13Å; K313-R315 VanDerWaalsContact O-N 3.08Å
314	S	94.3	Very high	95.5	Very high	39 Å²	39	56.3 Å²	56.3	27%	0.273	26%	0.257	S	S	.	.	S	Bend	trans	-59.5	-20.4	174.1	178.7	0	0	0	0	114.9	V277 H278 M279	V277-S314 WeakPolarHBondContact O-CA 3.42Å; V277-S314 WeakPolarHBondContact O-CB 3.29Å; V277-S314 PolarHBondContact O-OG 3.07Å; H278-S314 CarbonylContact C-O 3.45Å; H278-S314 WeakPolarHBondContact CA-O 3.33Å; M279-S314 PolarHBondContact N-O 3.03Å
315	R	94.2	Very high	95.4	Very high	143 Å²	143	52.8 Å²	52.8	54%	0.54	24%	0.242	S	C	.	.	S	Bend	trans	-110.1	146	-176.4	-64.7	-67.8	-179.9	177	-5.3	111.1	M279 D280 K313	M279-R315 WeakPolarHBondContact O-CD 3.39Å; M279-R315 PolarHBondContact O-NH1 2.79Å; D280-R315 WeakPolarHBondContact OD1-CD 3.4Å; D280-R315 IonicContact OD1-CZ 2.56Å; D280-R315 IonicContact OD1-NE 3.82Å; D280-R315 IonicContact OD1-NH1 3.17Å; D280-R315 PolarHBondContact OD1-NH1 2.95Å; K313-R315 PolarHBondContact O-N 3.13Å; K313-R315 VanDerWaalsContact O-N 3.08Å
316	S	96.1	Very high	95.3	Very high	27 Å²	27	55.7 Å²	55.7	19%	0.189	26%	0.255	C	S	.	.			trans	-62	142.4	177.5	61.4	0	0	0	0	111.3	D280 I308	D280-S316 VanDerWaalsContact OD2-CB 3.3Å; D280-S316 WeakPolarHBondContact OD2-CB 3.29Å; D280-S316 PolarHBondContact OD2-N 3.5Å; D280-S316 PolarHBondContact OD2-OG 3.48Å; I308-S316 CarbonylContact O-C 3.59Å; I308-S316 WeakPolarHBondContact O-CA 3.19Å
317	R	94.7	Very high	95.2	Very high	70 Å²	70	57.7 Å²	57.7	26%	0.264	26%	0.264	S	S	.	.	S	Bend	trans	-80	-48.1	172.1	-176.1	-166	75.7	178.7	4.1	110.6	E296 I308 P310 A354 N355	E296-R317 IonicContact OE1-CZ 2.86Å; E296-R317 IonicContact OE1-NE 3.99Å; E296-R317 IonicContact OE1-NH1 2.8Å; E296-R317 PolarHBondContact OE1-NH1 3.47Å; E296-R317 IonicContact OE2-CZ 2.68Å; E296-R317 IonicContact OE2-NH1 2.9Å; E296-R317 PolarHBondContact OE2-NH1 3.33Å; E296-R317 IonicContact OE2-NH2 3.88Å; I308-R317 PolarHBondContact O-N 2.95Å; P310-R317 HydrophobicContact CG-CB 4.17Å; R317-A354 VanDerWaalsContact NH2-C 3.32Å; R317-A354 PolarHBondContact NH2-O 3.32Å; R317-N355 PolarHBondContact NH1-OD1 3.5Å; R317-N355 VanDerWaalsContact NH1-OD1 3.09Å; R317-N355 PolarHBondContact NH2-OD1 2.75Å
318	E	96.1	Very high	95.1	Very high	11 Å²	11	57.5 Å²	57.5	5%	0.051	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	152.4	179.7	-58.6	-157	124.8	0	0	110.8	R307 I308 Y320 A356 R394	R307-E318 WeakPolarHBondContact CA-O 3.17Å; I308-E318 HydrophobicContact CD1-CB 4.29Å; I308-E318 PolarHBondContact N-O 2.86Å; E318-Y320 HydrophobicContact CB-CE1 4.11Å; E318-Y320 PolarHBondContact OE2-OH 2.85Å; E318-A356 PolarHBondContact OE2-N 3.45Å; E318-R394 IonicContact OE1-CZ 2.74Å; E318-R394 IonicContact OE1-NH1 2.66Å; E318-R394 IonicContact OE1-NH2 3.1Å; E318-R394 PolarHBondContact OE1-NH2 2.65Å
319	V	96.6	Very high	95.1	Very high	23 Å²	23	59 Å²	59	14%	0.139	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	127.9	175.5	-175.3	0	0	0	0	107.3	I306 R307 L396	I306-V319 CarbonylContact O-C 3.51Å; I306-V319 WeakPolarHBondContact O-CA 3.31Å; R307-V319 HydrophobicContact CG-CB 4.44Å; R307-V319 HydrophobicContact CG-CG1 4.11Å; R307-V319 HydrophobicContact CG-CG2 4Å; V319-L396 HydrophobicContact CB-CD2 4.28Å; V319-L396 HydrophobicContact CG1-CD2 3.92Å
320	Y	97.4	Very high	94.9	Very high	9 Å²	9	59.2 Å²	59.2	4%	0.035	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	135.1	175.6	-60	-28	0	0	0	110.6	P57 S305 I306 I308 E318 I340 W352 K353 A354 A356	P57-Y320 HydrophobicContact CB-CD1 3.8Å; P57-Y320 HydrophobicContact CB-CD2 4.42Å; P57-Y320 HydrophobicContact CB-CE1 3.25Å; P57-Y320 HydrophobicContact CB-CE2 3.93Å; P57-Y320 HydrophobicContact CB-CG 4.36Å; P57-Y320 WeakPolarHBondContact CB-OH 3.22Å; P57-Y320 HydrophobicContact CG-CD1 3.68Å; P57-Y320 HydrophobicContact CG-CE1 3.51Å; P57-Y320 HydrophobicContact CG-CG 4.43Å; S305-Y320 WeakPolarHBondContact CA-O 3.47Å; I306-Y320 PolarHBondContact N-O 3.32Å; I306-Y320 PolarHBondContact O-N 3Å; I308-Y320 HydrophobicContact CD1-CE2 3.85Å; E318-Y320 HydrophobicContact CB-CE1 4.11Å; E318-Y320 PolarHBondContact OE2-OH 2.85Å; Y320-I340 HydrophobicContact CE2-CD1 4.24Å; Y320-W352 HydrophobicContact CD2-CB 3.92Å; Y320-W352 HydrophobicContact CD2-CD2 4.04Å; Y320-W352 AromaticContact CD2-CE3 3.94Å; Y320-W352 HydrophobicContact CD2-CE3 3.94Å; Y320-W352 HydrophobicContact CD2-CG 4.05Å; Y320-W352 HydrophobicContact CE2-CB 3.95Å; Y320-W352 HydrophobicContact CG-CD2 4.36Å; Y320-W352 AromaticContact CG-CE3 3.94Å; Y320-W352 HydrophobicContact CG-CE3 3.94Å; Y320-W352 HydrophobicContact CG-CZ3 4.24Å; Y320-K353 WeakPolarHBondContact CE2-O 3.34Å; Y320-K353 VanDerWaalsContact CZ-O 3.31Å; Y320-K353 PolarHBondContact OH-O 3.44Å; Y320-A354 PolarHBondContact OH-O 3.15Å; Y320-A356 HydrophobicContact CE1-CB 4.23Å; Y320-A356 PolarHBondContact OH-N 3.12Å
321	H	95.8	Very high	95	Very high	53 Å²	53	58.4 Å²	58.4	25%	0.245	27%	0.268	C	S	.	.			trans	-148.6	155.5	174.9	67.7	90.1	0	0	0	109.2	H395 P397	H321-H395 PolarHBondContact NE2-O 2.77Å; H321-P397 HydrophobicContact CB-CG 4.28Å; H321-P397 WeakPolarHBondContact ND1-CG 3.35Å
322	T	94.6	Very high	95.1	Very high	39 Å²	39	59 Å²	59	24%	0.239	27%	0.269	C	S	.	.			trans	-133.7	161.2	159.9	72.9	0	0	0	0	108.8	R324 M325 W352	T322-R324 PolarHBondContact O-N 3.03Å; T322-R324 PolarHBondContact OG1-N 2.93Å; T322-M325 WeakPolarHBondContact O-CB 3.17Å; T322-M325 PolarHBondContact O-N 3.31Å; T322-M325 WeakPolarHBondContact OG1-CB 3.39Å; T322-M325 PolarHBondContact OG1-N 3.31Å; T322-W352 HydrophobicContact CG2-CH2 3.39Å; T322-W352 HydrophobicContact CG2-CZ2 3.93Å; T322-W352 HydrophobicContact CG2-CZ3 4.42Å
323	K	92.4	Very high	95.2	Very high	209 Å²	209	52.7 Å²	52.7	91%	0.909	24%	0.235	S	C	*	.	S	Bend	trans	-64.5	-28.4	175.3	-171.3	175.7	178.4	-176.1	0	112.9
324	R	90.8	Very high	95.2	Very high	193 Å²	193	47.1 Å²	47.1	73%	0.728	21%	0.212	S	C	*	.	S	Bend	trans	-79	-34.7	178.5	-55.8	-172.2	-146.2	-176.6	5.5	111.1	T322 Q326 E346	T322-R324 PolarHBondContact O-N 3.03Å; T322-R324 PolarHBondContact OG1-N 2.93Å; R324-Q326 PolarHBondContact O-N 2.9Å; R324-Q326 VanDerWaalsContact O-N 3.13Å; R324-Q326 PolarHBondContact O-NE2 3.4Å; R324-E346 VanDerWaalsContact C-CD 3.48Å; R324-E346 VanDerWaalsContact O-OE1 3.06Å
325	M	93.5	Very high	95.1	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.01	22%	0.215	C	C	.	.			trans	-49.7	113.8	175.7	-148.4	155.9	76.2	0	0	112.5	K304 I306 T322 V328 E346 W352	K304-M325 WeakPolarHBondContact O-CE 3.16Å; I306-M325 HydrophobicContact CD1-CE 4.03Å; I306-M325 HydrophobicContact CD1-SD 4.07Å; I306-M325 HydrophobicContact CG1-CE 4.17Å; T322-M325 WeakPolarHBondContact O-CB 3.17Å; T322-M325 PolarHBondContact O-N 3.31Å; T322-M325 WeakPolarHBondContact OG1-CB 3.39Å; T322-M325 PolarHBondContact OG1-N 3.31Å; M325-V328 HydrophobicContact CE-CG2 3.79Å; M325-V328 HydrophobicContact CG-CG2 3.89Å; M325-V328 HydrophobicContact SD-CG2 3.94Å; M325-E346 WeakPolarHBondContact CA-OE1 3.39Å; M325-E346 PolarHBondContact N-OE1 3.44Å; M325-E346 VanDerWaalsContact N-OE1 3.13Å; M325-W352 HydrophobicContact CE-CZ2 4.49Å; M325-W352 HydrophobicContact SD-CZ2 3.89Å
326	Q	93.9	Very high	95	Very high	61 Å²	61	42.9 Å²	42.9	29%	0.285	20%	0.2	S	C	.	.			trans	-92.9	-157.6	168.2	-58	-47.9	-47.7	0	0	109.3	K304 R324 V328 S344 D345 E346	K304-Q326 WeakPolarHBondContact CA-O 3.34Å; K304-Q326 WeakPolarHBondContact CB-O 3.37Å; R324-Q326 PolarHBondContact O-N 2.9Å; R324-Q326 VanDerWaalsContact O-N 3.13Å; R324-Q326 PolarHBondContact O-NE2 3.4Å; Q326-V328 PolarHBondContact O-N 2.78Å; Q326-S344 PolarHBondContact N-OG 3.25Å; Q326-S344 PolarHBondContact O-OG 3.41Å; Q326-D345 HydrophobicContact CB-CB 4.38Å; Q326-E346 HydrophobicContact CB-CB 4.33Å; Q326-E346 HydrophobicContact CG-CB 3.99Å
327	H	94.9	Very high	94.9	Very high	42 Å²	42	43.5 Å²	43.5	19%	0.194	21%	0.205	C	C	.	.			trans	-54.3	131.4	-178.6	-55.2	-63.9	0	0	0	109.7	F302 S344 D345	F302-H327 AromaticContact CD1-CE1 3.68Å; F302-H327 AromaticContact CD1-ND1 3.51Å; F302-H327 HydrophobicContact CD2-CB 3.92Å; F302-H327 AromaticContact CD2-CG 3.71Å; F302-H327 AromaticContact CD2-ND1 3.51Å; F302-H327 AromaticContact CE1-CE1 3.23Å; F302-H327 WeakPolarHBondContact CE1-CE1 3.22Å; F302-H327 AromaticContact CE1-ND1 3.49Å; F302-H327 WeakPolarHBondContact CE1-ND1 3.19Å; F302-H327 AromaticContact CE1-NE2 3.97Å; F302-H327 HydrophobicContact CE2-CB 4.03Å; F302-H327 AromaticContact CE2-CD2 3.86Å; F302-H327 AromaticContact CE2-CE1 3.8Å; F302-H327 AromaticContact CE2-CG 3.5Å; F302-H327 VanDerWaalsContact CE2-CG 3.5Å; F302-H327 AromaticContact CE2-ND1 3.48Å; F302-H327 WeakPolarHBondContact CE2-ND1 3.33Å; F302-H327 AromaticContact CG-ND1 3.54Å; F302-H327 AromaticContact CZ-CD2 3.89Å; F302-H327 AromaticContact CZ-CE1 3.3Å; F302-H327 WeakPolarHBondContact CZ-CE1 3.44Å; F302-H327 AromaticContact CZ-CG 3.82Å; F302-H327 AromaticContact CZ-ND1 3.47Å; F302-H327 WeakPolarHBondContact CZ-ND1 3.44Å; F302-H327 AromaticContact CZ-NE2 3.62Å; F302-H327 PolarHBondContact O-CE1 3.38Å; F302-H327 PolarHBondContact O-ND1 3.47Å; H327-S344 VanDerWaalsContact O-CA 3.27Å; H327-S344 WeakPolarHBondContact O-CA 3.27Å; H327-S344 PolarHBondContact O-OG 2.52Å; H327-D345 HydrophobicContact CB-CB 4.16Å; H327-D345 IonicContact CD2-OD2 3.85Å; H327-D345 PolarHBondContact O-N 3.08Å
328	V	96.7	Very high	94.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	108.4	179.8	-172.2	0	0	0	0	106.9	L286 A300 S301 I306 M325 Q326 C342	L286-V328 WeakPolarHBondContact CD1-O 3.31Å; A300-V328 HydrophobicContact CB-CB 3.95Å; A300-V328 HydrophobicContact CB-CG1 3.5Å; A300-V328 VanDerWaalsContact CB-CG1 3.5Å; S301-V328 PolarHBondContact O-N 2.84Å; I306-V328 HydrophobicContact CD1-CG1 4.44Å; I306-V328 HydrophobicContact CG1-CG1 4.03Å; I306-V328 HydrophobicContact CG1-CG2 4.2Å; M325-V328 HydrophobicContact CE-CG2 3.79Å; M325-V328 HydrophobicContact CG-CG2 3.89Å; M325-V328 HydrophobicContact SD-CG2 3.94Å; Q326-V328 PolarHBondContact O-N 2.78Å; V328-C342 HydrophobicContact CG1-CB 3.77Å
329	I	96	Very high	94.9	Very high	32 Å²	32	47.5 Å²	47.5	16%	0.164	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-46.3	-170.4	-58.4	169.7	0	0	0	110	N70 L286 D287 G343 D345	N70-I329 WeakPolarHBondContact OD1-CG2 3.3Å; L286-I329 HydrophobicContact CD1-CG1 4.43Å; D287-I329 WeakPolarHBondContact CB-O 3.39Å; I329-G343 PolarHBondContact N-O 3.16Å; I329-D345 HydrophobicContact CD1-CB 4.09Å
330	C	95.6	Very high	94.9	Very high	4 Å²	4	46.4 Å²	46.4	3%	0.027	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	151	-176.7	56.9	0	0	0	0	112.1	L72 D287 C342 G343	L72-C330 VanDerWaalsContact CG-SG 3.6Å; D287-C330 WeakPolarHBondContact OD2-CA 3.43Å; C330-C342 WeakPolarHBondContact O-CA 3.47Å; C330-G343 PolarHBondContact N-O 2.99Å; C330-G343 PolarHBondContact O-N 3.07Å
331	V	97.4	Very high	94.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	139.4	179.4	72.8	0	0	0	0	111	D287 D289 V298 A300 I306 I340 M341 C342	D287-V331 HydrophobicContact CB-CG1 4.27Å; D287-V331 PolarHBondContact OD2-N 2.9Å; D287-V331 VanDerWaalsContact OD2-O 3.13Å; D289-V331 WeakPolarHBondContact CB-O 3.35Å; V298-V331 HydrophobicContact CB-CG2 4.24Å; V298-V331 HydrophobicContact CG1-CB 4.36Å; V298-V331 HydrophobicContact CG1-CG1 4.09Å; V298-V331 HydrophobicContact CG1-CG2 3.39Å; A300-V331 HydrophobicContact CB-CB 3.88Å; A300-V331 HydrophobicContact CB-CG1 3.88Å; I306-V331 HydrophobicContact CG2-CG2 4.35Å; V331-I340 HydrophobicContact CG2-CG2 3.64Å; V331-M341 CarbonylContact C-O 3.59Å; V331-M341 VanDerWaalsContact CA-O 3.32Å; V331-M341 WeakPolarHBondContact CA-O 3.39Å; V331-M341 VanDerWaalsContact CG2-O 3.3Å; V331-M341 WeakPolarHBondContact CG2-O 3.48Å; V331-C342 HydrophobicContact CG2-CB 4.36Å
332	K	97.1	Very high	94.9	Very high	25 Å²	25	43.6 Å²	43.6	11%	0.109	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	139.4	177.5	-67.8	-63.3	167.5	-144	0	111.9	L72 D289 M341	L72-K332 HydrophobicContact CB-CG 3.9Å; D289-K332 HydrophobicContact CB-CD 4.12Å; D289-K332 VanDerWaalsContact CG-CD 3.47Å; D289-K332 WeakPolarHBondContact OD1-CD 3.3Å; D289-K332 IonicContact OD1-NZ 3.89Å; D289-K332 PolarHBondContact OD1-NZ 2.76Å; D289-K332 WeakPolarHBondContact OD2-CA 3.23Å; K332-M341 HydrophobicContact CB-CE 4.12Å; K332-M341 PolarHBondContact N-O 3.16Å; K332-M341 PolarHBondContact O-N 3.44Å
333	W	96.5	Very high	94.9	Very high	3 Å²	3	41.7 Å²	41.7	1%	0.011	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	135.1	169.6	-146.2	-55.5	0	0	0	109.4	K74 D289 E296 V298 I308 S337 Y339 I340 A354	K74-W333 WeakPolarHBondContact CD-O 3.49Å; K74-W333 PolarHBondContact NZ-O 3.14Å; K74-W333 VanDerWaalsContact NZ-O 3.16Å; D289-W333 PolarHBondContact OD2-N 2.78Å; E296-W333 HydrophobicContact CB-CH2 3.87Å; E296-W333 HydrophobicContact CB-CZ3 4.11Å; V298-W333 HydrophobicContact CB-CE3 4.14Å; V298-W333 HydrophobicContact CB-CZ3 4.29Å; V298-W333 HydrophobicContact CG2-CD2 4.17Å; V298-W333 HydrophobicContact CG2-CE3 3.26Å; V298-W333 HydrophobicContact CG2-CH2 4.07Å; V298-W333 HydrophobicContact CG2-CZ3 3.2Å; I308-W333 HydrophobicContact CG2-CH2 3.92Å; I308-W333 HydrophobicContact CG2-CZ3 4.16Å; W333-S337 PolarHBondContact NE1-O 2.88Å; W333-Y339 PolarHBondContact NE1-O 2.68Å; W333-I340 HydrophobicContact CD2-CG1 4.29Å; W333-A354 HydrophobicContact CH2-CB 4.23Å; W333-A354 HydrophobicContact CZ2-CB 3.4Å; W333-A354 VanDerWaalsContact CZ2-CB 3.4Å
334	T	95.1	Very high	95	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.031	15%	0.149	C	C	.	.			trans	-64.4	150.4	171.1	54.2	0	0	0	0	111.4	L96 P292 D336 S337 Y339 M341	L96-T334 HydrophobicContact CD1-CG2 4.21Å; P292-T334 WeakPolarHBondContact CG-O 3.45Å; T334-D336 VanDerWaalsContact CB-OD1 3.29Å; T334-D336 WeakPolarHBondContact CB-OD1 3.23Å; T334-D336 PolarHBondContact O-N 3.05Å; T334-D336 VanDerWaalsContact O-N 3.09Å; T334-D336 PolarHBondContact OG1-OD1 3.08Å; T334-S337 PolarHBondContact O-N 3.48Å; T334-Y339 PolarHBondContact N-O 2.85Å; T334-Y339 WeakPolarHBondContact OG1-CA 3.45Å; T334-Y339 PolarHBondContact OG1-N 2.98Å; T334-Y339 PolarHBondContact OG1-O 2.95Å; T334-M341 HydrophobicContact CG2-CE 4.05Å; T334-M341 HydrophobicContact CG2-CG 4.35Å; T334-M341 HydrophobicContact CG2-SD 4.19Å
335	S	91.9	Very high	95.2	Very high	49 Å²	49	25.9 Å²	25.9	34%	0.343	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-15.5	-176.7	-54	0	0	0	0	113.9	P292 S337	P292-S335 WeakPolarHBondContact CG-O 3.42Å; S335-S337 VanDerWaalsContact C-N 3.34Å
336	D	92.1	Very high	95	Very high	44 Å²	44	27.7 Å²	27.7	24%	0.235	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	1.6	174.5	73.3	-16.4	0	0	0	114.2	L79 T334 K338	L79-D336 HydrophobicContact CD1-CB 3.82Å; L79-D336 HydrophobicContact CD2-CB 3.87Å; T334-D336 VanDerWaalsContact CB-OD1 3.29Å; T334-D336 WeakPolarHBondContact CB-OD1 3.23Å; T334-D336 PolarHBondContact O-N 3.05Å; T334-D336 VanDerWaalsContact O-N 3.09Å; T334-D336 PolarHBondContact OG1-OD1 3.08Å; D336-K338 PolarHBondContact O-N 3.12Å; D336-K338 VanDerWaalsContact O-N 3.13Å; D336-K338 PolarHBondContact OD1-N 3.16Å; D336-K338 VanDerWaalsContact OD1-N 3.07Å
337	S	94.2	Very high	95	Very high	40 Å²	40	28.3 Å²	28.3	28%	0.28	14%	0.144	S	C	.	.	S	Bend	trans	61.5	8.8	-176.6	74.2	0	0	0	0	116.4	W333 T334 S335	W333-S337 PolarHBondContact NE1-O 2.88Å; T334-S337 PolarHBondContact O-N 3.48Å; S335-S337 VanDerWaalsContact C-N 3.34Å
338	K	93.9	Very high	94.9	Very high	109 Å²	109	27.5 Å²	27.5	47%	0.474	14%	0.141	S	C	.	.	S	Bend	trans	-100.2	-23.2	-175	-70.7	176.8	-177.8	173.9	0	114.9	D336 A354	D336-K338 PolarHBondContact O-N 3.12Å; D336-K338 VanDerWaalsContact O-N 3.13Å; D336-K338 PolarHBondContact OD1-N 3.16Å; D336-K338 VanDerWaalsContact OD1-N 3.07Å; K338-A354 WeakPolarHBondContact O-CB 3.49Å; K338-A354 PolarHBondContact O-N 3.11Å
339	Y	95.7	Very high	94.8	Very high	56 Å²	56	27.5 Å²	27.5	22%	0.22	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	158.2	-175.9	-50.9	-82.4	0	0	0	111.9	L59 W333 T334 W352 K353 L360	L59-Y339 HydrophobicContact CD2-CD1 4.05Å; L59-Y339 HydrophobicContact CD2-CE1 3.69Å; W333-Y339 PolarHBondContact NE1-O 2.68Å; T334-Y339 PolarHBondContact N-O 2.85Å; T334-Y339 WeakPolarHBondContact OG1-CA 3.45Å; T334-Y339 PolarHBondContact OG1-N 2.98Å; T334-Y339 PolarHBondContact OG1-O 2.95Å; Y339-W352 CarbonylContact C-O 3.58Å; Y339-W352 WeakPolarHBondContact CA-O 3.25Å; Y339-W352 WeakPolarHBondContact CB-O 3.36Å; Y339-K353 HydrophobicContact CD1-CG 4.3Å; Y339-K353 HydrophobicContact CE1-CG 4.23Å; Y339-L360 HydrophobicContact CE1-CD2 3.99Å; Y339-L360 VanDerWaalsContact OH-CD2 3.26Å; Y339-L360 WeakPolarHBondContact OH-CD2 3.43Å
340	I	97.3	Very high	94.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	133.2	179.8	-60.3	157.7	0	0	0	106.6	V298 I306 I308 Y320 V331 W333 L351 W352 A354	V298-I340 HydrophobicContact CB-CG2 4.4Å; V298-I340 HydrophobicContact CG1-CG2 3.88Å; V298-I340 HydrophobicContact CG2-CD1 3.47Å; V298-I340 VanDerWaalsContact CG2-CD1 3.47Å; V298-I340 HydrophobicContact CG2-CG1 3.66Å; V298-I340 HydrophobicContact CG2-CG2 4.06Å; I306-I340 HydrophobicContact CG2-CG2 4.47Å; I308-I340 HydrophobicContact CD1-CD1 3.36Å; I308-I340 HydrophobicContact CG1-CD1 3.78Å; Y320-I340 HydrophobicContact CE2-CD1 4.24Å; V331-I340 HydrophobicContact CG2-CG2 3.64Å; W333-I340 HydrophobicContact CD2-CG1 4.29Å; I340-L351 WeakPolarHBondContact O-CA 3.37Å; I340-W352 HydrophobicContact CB-CB 4.32Å; I340-W352 PolarHBondContact N-O 3.37Å; I340-W352 PolarHBondContact O-N 2.81Å; I340-A354 HydrophobicContact CD1-CB 4.17Å; I340-A354 HydrophobicContact CG1-CB 4.37Å
341	M	96.3	Very high	94.8	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.01	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	137.3	175.2	-62.8	175.1	-61.5	0	0	108.6	L72 V82 L96 V331 K332 T334 R350 L351	L72-M341 HydrophobicContact CD1-CB 4.44Å; V82-M341 HydrophobicContact CB-SD 4.29Å; V82-M341 HydrophobicContact CG1-CE 4.08Å; V82-M341 HydrophobicContact CG1-SD 3.94Å; V82-M341 HydrophobicContact CG2-CE 3.75Å; V82-M341 HydrophobicContact CG2-SD 3.55Å; V82-M341 VanDerWaalsContact CG2-SD 3.55Å; L96-M341 HydrophobicContact CD1-SD 3.94Å; L96-M341 HydrophobicContact CD2-SD 3.88Å; L96-M341 HydrophobicContact CG-SD 4.49Å; V331-M341 CarbonylContact C-O 3.59Å; V331-M341 VanDerWaalsContact CA-O 3.32Å; V331-M341 WeakPolarHBondContact CA-O 3.39Å; V331-M341 VanDerWaalsContact CG2-O 3.3Å; V331-M341 WeakPolarHBondContact CG2-O 3.48Å; K332-M341 HydrophobicContact CB-CE 4.12Å; K332-M341 PolarHBondContact N-O 3.16Å; K332-M341 PolarHBondContact O-N 3.44Å; T334-M341 HydrophobicContact CG2-CE 4.05Å; T334-M341 HydrophobicContact CG2-CG 4.35Å; T334-M341 HydrophobicContact CG2-SD 4.19Å; M341-R350 CarbonylContact C-O 3.54Å; M341-R350 VanDerWaalsContact CA-O 3.29Å; M341-R350 WeakPolarHBondContact CA-O 3.37Å; M341-L351 HydrophobicContact CG-CD1 3.48Å; M341-L351 VanDerWaalsContact CG-CD1 3.48Å; M341-L351 HydrophobicContact SD-CD1 4.34Å
342	C	96.6	Very high	94.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	136.5	174.1	66.4	0	0	0	0	110.7	I306 V328 C330 V331 I349 R350 W352	I306-C342 HydrophobicContact CD1-CB 3.43Å; I306-C342 VanDerWaalsContact CD1-CB 3.43Å; I306-C342 WeakPolarHBondContact CD1-SG 3.49Å; I306-C342 HydrophobicContact CG1-CB 4.25Å; V328-C342 HydrophobicContact CG1-CB 3.77Å; C330-C342 WeakPolarHBondContact O-CA 3.47Å; V331-C342 HydrophobicContact CG2-CB 4.36Å; C342-I349 CarbonylContact O-C 3.53Å; C342-I349 VanDerWaalsContact O-CA 3.25Å; C342-I349 WeakPolarHBondContact O-CA 3.23Å; C342-R350 PolarHBondContact N-O 3.42Å; C342-R350 PolarHBondContact O-N 2.94Å; C342-W352 PolarHBondContact SG-NE1 2.57Å
343	G	95.6	Very high	94.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	128.5	166.3	0	0	0	0	0	108.8	I329 C330	I329-G343 PolarHBondContact N-O 3.16Å; C330-G343 PolarHBondContact N-O 2.99Å; C330-G343 PolarHBondContact O-N 3.07Å
344	S	94.7	Very high	94.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	159.4	176.3	-170.1	0	0	0	0	110.4	V69 Q326 H327 E346 M347 N348	V69-S344 PolarHBondContact N-O 2.9Å; V69-S344 VanDerWaalsContact N-O 3.11Å; Q326-S344 PolarHBondContact N-OG 3.25Å; Q326-S344 PolarHBondContact O-OG 3.41Å; H327-S344 VanDerWaalsContact O-CA 3.27Å; H327-S344 WeakPolarHBondContact O-CA 3.27Å; H327-S344 PolarHBondContact O-OG 2.52Å; S344-E346 PolarHBondContact O-N 3.37Å; S344-M347 PolarHBondContact O-N 2.83Å; S344-N348 PolarHBondContact N-O 3.25Å
345	D	93.4	Very high	94.8	Very high	70 Å²	70	29.8 Å²	29.8	37%	0.374	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-22.7	174	-161.6	38.3	0	0	0	113	G68 Q326 H327 I329 M347	G68-D345 VanDerWaalsContact CA-O 3.32Å; G68-D345 WeakPolarHBondContact CA-O 3.34Å; Q326-D345 HydrophobicContact CB-CB 4.38Å; H327-D345 HydrophobicContact CB-CB 4.16Å; H327-D345 IonicContact CD2-OD2 3.85Å; H327-D345 PolarHBondContact O-N 3.08Å; I329-D345 HydrophobicContact CD1-CB 4.09Å; D345-M347 PolarHBondContact O-N 3.01Å
346	E	90.4	Very high	95	Very high	39 Å²	39	27.6 Å²	27.6	18%	0.182	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	30.1	173.2	64	170.2	149.8	0	0	114.1	R324 M325 Q326 S344 N348 R350	R324-E346 VanDerWaalsContact C-CD 3.48Å; R324-E346 VanDerWaalsContact O-OE1 3.06Å; M325-E346 WeakPolarHBondContact CA-OE1 3.39Å; M325-E346 PolarHBondContact N-OE1 3.44Å; M325-E346 VanDerWaalsContact N-OE1 3.13Å; Q326-E346 HydrophobicContact CB-CB 4.33Å; Q326-E346 HydrophobicContact CG-CB 3.99Å; S344-E346 PolarHBondContact O-N 3.37Å; E346-N348 HydrophobicContact CG-CB 4.4Å; E346-N348 PolarHBondContact O-N 3.07Å; E346-N348 PolarHBondContact O-ND2 3.47Å; E346-R350 IonicContact OE1-CZ 2.94Å; E346-R350 IonicContact OE1-NH1 2.54Å; E346-R350 PolarHBondContact OE1-NH1 2.73Å; E346-R350 IonicContact OE1-NH2 2.69Å; E346-R350 PolarHBondContact OE1-NH2 2.84Å; E346-R350 IonicContact OE2-CZ 3.84Å; E346-R350 IonicContact OE2-NH1 3.94Å; E346-R350 IonicContact OE2-NH2 2.89Å; E346-R350 PolarHBondContact OE2-NH2 3.28Å
347	M	92.9	Very high	95.1	Very high	75 Å²	75	27.3 Å²	27.3	37%	0.369	14%	0.138	S	C	.	.	S	Bend	trans	68.3	-11.2	171.9	-45.5	155.1	-179.7	0	0	115.1	H65 R66 D67 V69 S344 D345	H65-M347 HydrophobicContact CB-CB 4.28Å; H65-M347 WeakPolarHBondContact CB-O 3.35Å; H65-M347 WeakPolarHBondContact O-CB 3.38Å; R66-M347 WeakPolarHBondContact O-CE 3.38Å; D67-M347 WeakPolarHBondContact O-CA 3.43Å; D67-M347 WeakPolarHBondContact O-CB 3.17Å; D67-M347 WeakPolarHBondContact O-CG 3.44Å; V69-M347 WeakPolarHBondContact CG2-O 3.48Å; S344-M347 PolarHBondContact O-N 2.83Å; D345-M347 PolarHBondContact O-N 3.01Å
348	N	93.5	Very high	95.1	Very high	24 Å²	24	27.7 Å²	27.7	13%	0.128	14%	0.136	C	C	.	.			trans	-94.9	140.8	-173.2	-82.9	-85.8	0	0	0	112.3	S61 D63 S344 E346	S61-N348 PolarHBondContact OG-OD1 3.26Å; S61-N348 VanDerWaalsContact OG-OD1 3.09Å; D63-N348 WeakPolarHBondContact CB-OD1 3.27Å; D63-N348 PolarHBondContact OD1-OD1 3.03Å; S344-N348 PolarHBondContact N-O 3.25Å; E346-N348 HydrophobicContact CG-CB 4.4Å; E346-N348 PolarHBondContact O-N 3.07Å; E346-N348 PolarHBondContact O-ND2 3.47Å
349	I	95.3	Very high	95	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	127.1	166.6	-53.2	162.6	0	0	0	107.8	S61 L62 V69 L72 W94 C342	S61-I349 CarbonylContact C-O 3.58Å; S61-I349 WeakPolarHBondContact CA-O 2.93Å; L62-I349 HydrophobicContact CB-CB 4.2Å; L62-I349 HydrophobicContact CD1-CB 4.45Å; L62-I349 HydrophobicContact CD1-CG2 4.3Å; L62-I349 PolarHBondContact N-O 3.42Å; L62-I349 PolarHBondContact O-N 3.43Å; L62-I349 VanDerWaalsContact O-N 3.17Å; V69-I349 HydrophobicContact CG1-CG1 4.18Å; V69-I349 HydrophobicContact CG2-CG1 3.94Å; L72-I349 HydrophobicContact CD1-CG2 4.43Å; L72-I349 HydrophobicContact CD2-CD1 3.98Å; L72-I349 HydrophobicContact CD2-CG1 4.31Å; L72-I349 HydrophobicContact CD2-CG2 4.3Å; W94-I349 HydrophobicContact CZ2-CD1 4.35Å; C342-I349 CarbonylContact O-C 3.53Å; C342-I349 VanDerWaalsContact O-CA 3.25Å; C342-I349 WeakPolarHBondContact O-CA 3.23Å
350	R	95.7	Very high	94.7	Very high	11 Å²	11	29.7 Å²	29.7	4%	0.042	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	141.9	177	-66.7	-178.1	178.5	77.9	-1.9	112.2	F58 M341 C342 E346	F58-R350 HydrophobicContact CE2-CB 4.13Å; F58-R350 HydrophobicContact CE2-CG 3.92Å; M341-R350 CarbonylContact C-O 3.54Å; M341-R350 VanDerWaalsContact CA-O 3.29Å; M341-R350 WeakPolarHBondContact CA-O 3.37Å; C342-R350 PolarHBondContact N-O 3.42Å; C342-R350 PolarHBondContact O-N 2.94Å; E346-R350 IonicContact OE1-CZ 2.94Å; E346-R350 IonicContact OE1-NH1 2.54Å; E346-R350 PolarHBondContact OE1-NH1 2.73Å; E346-R350 IonicContact OE1-NH2 2.69Å; E346-R350 PolarHBondContact OE1-NH2 2.84Å; E346-R350 IonicContact OE2-CZ 3.84Å; E346-R350 IonicContact OE2-NH1 3.94Å; E346-R350 IonicContact OE2-NH2 2.89Å; E346-R350 PolarHBondContact OE2-NH2 3.28Å
351	L	95.8	Very high	94.4	Very high	13 Å²	13	32.9 Å²	32.9	7%	0.068	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	126.8	175.1	-170.3	74.7	0	0	0	109.8	L59 A60 I340 M341	L59-L351 HydrophobicContact CB-CD2 4.37Å; L59-L351 HydrophobicContact CB-CG 4.47Å; L59-L351 WeakPolarHBondContact CB-O 3.27Å; L59-L351 HydrophobicContact CD2-CD2 3.48Å; L59-L351 VanDerWaalsContact CD2-CD2 3.48Å; L59-L351 HydrophobicContact CD2-CG 4.26Å; L59-L351 HydrophobicContact CG-CD2 4.26Å; L59-L351 PolarHBondContact N-O 3.19Å; A60-L351 PolarHBondContact N-O 2.7Å; A60-L351 PolarHBondContact O-N 3.22Å; I340-L351 WeakPolarHBondContact O-CA 3.37Å; M341-L351 HydrophobicContact CG-CD1 3.48Å; M341-L351 VanDerWaalsContact CG-CD1 3.48Å; M341-L351 HydrophobicContact SD-CD1 4.34Å
352	W	97	Very high	94.2	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.015	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	150.1	-179	-55.2	88.3	0	0	0	109.8	P57 F58 Y320 T322 M325 Y339 I340 C342	P57-W352 HydrophobicContact CB-CE3 4.07Å; P57-W352 HydrophobicContact CG-CE3 4.17Å; P57-W352 HydrophobicContact CG-CZ3 4.19Å; P57-W352 CarbonylContact O-C 3.58Å; P57-W352 WeakPolarHBondContact O-CA 3.31Å; F58-W352 HydrophobicContact CB-CE3 3.88Å; F58-W352 HydrophobicContact CB-CH2 4.35Å; F58-W352 HydrophobicContact CB-CZ3 3.66Å; F58-W352 HydrophobicContact CD2-CD2 4.38Å; F58-W352 HydrophobicContact CD2-CE3 4.26Å; F58-W352 HydrophobicContact CD2-CH2 4.14Å; F58-W352 HydrophobicContact CD2-CZ2 4.2Å; F58-W352 HydrophobicContact CD2-CZ3 4.15Å; F58-W352 HydrophobicContact CG-CZ3 4.38Å; Y320-W352 HydrophobicContact CD2-CB 3.92Å; Y320-W352 HydrophobicContact CD2-CD2 4.04Å; Y320-W352 AromaticContact CD2-CE3 3.94Å; Y320-W352 HydrophobicContact CD2-CE3 3.94Å; Y320-W352 HydrophobicContact CD2-CG 4.05Å; Y320-W352 HydrophobicContact CE2-CB 3.95Å; Y320-W352 HydrophobicContact CG-CD2 4.36Å; Y320-W352 AromaticContact CG-CE3 3.94Å; Y320-W352 HydrophobicContact CG-CE3 3.94Å; Y320-W352 HydrophobicContact CG-CZ3 4.24Å; T322-W352 HydrophobicContact CG2-CH2 3.39Å; T322-W352 HydrophobicContact CG2-CZ2 3.93Å; T322-W352 HydrophobicContact CG2-CZ3 4.42Å; M325-W352 HydrophobicContact CE-CZ2 4.49Å; M325-W352 HydrophobicContact SD-CZ2 3.89Å; Y339-W352 CarbonylContact C-O 3.58Å; Y339-W352 WeakPolarHBondContact CA-O 3.25Å; Y339-W352 WeakPolarHBondContact CB-O 3.36Å; I340-W352 HydrophobicContact CB-CB 4.32Å; I340-W352 PolarHBondContact N-O 3.37Å; I340-W352 PolarHBondContact O-N 2.81Å; C342-W352 PolarHBondContact SG-NE1 2.57Å
353	K	97.1	Very high	94.1	Very high	29 Å²	29	42.3 Å²	42.3	13%	0.126	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	137.8	164.8	-61.6	179.6	-177.5	179.4	0	109.2	P57 Y320 Y339 N355 E358 L360	P57-K353 PolarHBondContact O-N 3.18Å; Y320-K353 WeakPolarHBondContact CE2-O 3.34Å; Y320-K353 VanDerWaalsContact CZ-O 3.31Å; Y320-K353 PolarHBondContact OH-O 3.44Å; Y339-K353 HydrophobicContact CD1-CG 4.3Å; Y339-K353 HydrophobicContact CE1-CG 4.23Å; K353-N355 WeakPolarHBondContact CB-O 3.41Å; K353-E358 PolarHBondContact NZ-O 3.35Å; K353-L360 HydrophobicContact CD-CD2 4.44Å
354	A	96.2	Very high	94.2	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.008	26%	0.261	C	S	.	.	S	Bend	trans	-59.3	-53.9	168.1	0	0	0	0	0	109.7	I308 R317 Y320 W333 K338 I340	I308-A354 VanDerWaalsContact CD1-O 3.24Å; I308-A354 WeakPolarHBondContact CD1-O 3.17Å; R317-A354 VanDerWaalsContact NH2-C 3.32Å; R317-A354 PolarHBondContact NH2-O 3.32Å; Y320-A354 PolarHBondContact OH-O 3.15Å; W333-A354 HydrophobicContact CH2-CB 4.23Å; W333-A354 HydrophobicContact CZ2-CB 3.4Å; W333-A354 VanDerWaalsContact CZ2-CB 3.4Å; K338-A354 WeakPolarHBondContact O-CB 3.49Å; K338-A354 PolarHBondContact O-N 3.11Å; I340-A354 HydrophobicContact CD1-CB 4.17Å; I340-A354 HydrophobicContact CG1-CB 4.37Å
355	N	95.6	Very high	94.3	Very high	60 Å²	60	51.1 Å²	51.1	32%	0.321	30%	0.295	S	S	.	.	S	Bend	trans	-94.4	107.5	173.9	-63.1	-33.6	0	0	0	110.4	R317 K353 S357 E358	R317-N355 PolarHBondContact NH1-OD1 3.5Å; R317-N355 VanDerWaalsContact NH1-OD1 3.09Å; R317-N355 PolarHBondContact NH2-OD1 2.75Å; K353-N355 WeakPolarHBondContact CB-O 3.41Å; N355-S357 VanDerWaalsContact C-N 3.26Å; N355-S357 PolarHBondContact O-N 2.97Å; N355-S357 VanDerWaalsContact O-N 3.16Å; N355-E358 HydrophobicContact CB-CB 3.75Å; N355-E358 WeakPolarHBondContact CB-OE2 3.48Å; N355-E358 PolarHBondContact ND2-OE2 2.85Å; N355-E358 WeakPolarHBondContact O-CB 3.4Å; N355-E358 PolarHBondContact O-N 3.4Å; N355-E358 VanDerWaalsContact O-N 3.12Å
356	A	95.3	Very high	94.4	Very high	2 Å²	2	58.2 Å²	58.2	2%	0.017	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-35.6	-174.1	0	0	0	0	0	115	A55 K56 P57 E318 Y320	A55-A356 HydrophobicContact CB-CB 3.89Å; K56-A356 CarbonylContact C-O 3.57Å; K56-A356 PolarHBondContact N-O 3.05Å; P57-A356 HydrophobicContact CB-CB 3.79Å; P57-A356 HydrophobicContact CG-CB 4.27Å; E318-A356 PolarHBondContact OE2-N 3.45Å; Y320-A356 HydrophobicContact CE1-CB 4.23Å; Y320-A356 PolarHBondContact OH-N 3.12Å
357	S	94.7	Very high	94.7	Very high	39 Å²	39	60 Å²	60	27%	0.273	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-3.5	-175.9	63.4	0	0	0	0	114	F54 N355 K359	F54-S357 WeakPolarHBondContact O-CA 3.25Å; N355-S357 VanDerWaalsContact C-N 3.26Å; N355-S357 PolarHBondContact O-N 2.97Å; N355-S357 VanDerWaalsContact O-N 3.16Å; S357-K359 PolarHBondContact O-N 3.45Å
358	E	93.4	Very high	94.8	Very high	47 Å²	47	62.4 Å²	62.4	22%	0.22	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-71.9	127.9	-174.7	-176.7	152.8	-142.3	0	0	111.7	K353 N355 K371	K353-E358 PolarHBondContact NZ-O 3.35Å; N355-E358 HydrophobicContact CB-CB 3.75Å; N355-E358 WeakPolarHBondContact CB-OE2 3.48Å; N355-E358 PolarHBondContact ND2-OE2 2.85Å; N355-E358 WeakPolarHBondContact O-CB 3.4Å; N355-E358 PolarHBondContact O-N 3.4Å; N355-E358 VanDerWaalsContact O-N 3.12Å; E358-K371 IonicContact OE1-NZ 3.23Å; E358-K371 PolarHBondContact OE1-NZ 2.82Å
359	K	91.9	Very high	95	Very high	128 Å²	128	64 Å²	64	56%	0.557	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-72.5	138.3	174.6	-173.3	176.9	173.9	-172.1	0	109.3	S357 L363 E367	S357-K359 PolarHBondContact O-N 3.45Å; K359-L363 HydrophobicContact CB-CD2 4.34Å; K359-L363 HydrophobicContact CD-CD2 3.98Å; K359-L363 HydrophobicContact CG-CD2 4.48Å; K359-E367 IonicContact NZ-OE1 3.19Å; K359-E367 PolarHBondContact NZ-OE1 3.14Å
360	L	90.3	Very high	95	Very high	79 Å²	79	66.2 Å²	66.2	41%	0.414	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-81.8	149.4	175.2	-60.3	178.9	0	0	0	110.2	L59 Y339 K353	L59-L360 HydrophobicContact CD1-CD1 3.74Å; Y339-L360 HydrophobicContact CE1-CD2 3.99Å; Y339-L360 VanDerWaalsContact OH-CD2 3.26Å; Y339-L360 WeakPolarHBondContact OH-CD2 3.43Å; K353-L360 HydrophobicContact CD-CD2 4.44Å
361	G	89.9	Confident	94.9	Very high	67 Å²	67	69.2 Å²	69.2	69%	0.691	38%	0.382	S	S	*	.	S	Bend	trans	93.9	-174.9	179.4	0	0	0	0	0	114.2
362	V	93.4	Very high	95	Very high	148 Å²	148	72.2 Å²	72.2	90%	0.897	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-80	132	-179.4	-176.6	0	0	0	0	109.4
363	L	94.9	Very high	95	Very high	52 Å²	52	76.3 Å²	76.3	27%	0.272	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-93.1	141.1	174.9	-64.6	175.4	0	0	0	110.1	K359 E367 K371	K359-L363 HydrophobicContact CB-CD2 4.34Å; K359-L363 HydrophobicContact CD-CD2 3.98Å; K359-L363 HydrophobicContact CG-CD2 4.48Å; L363-E367 HydrophobicContact CB-CB 4.42Å; L363-E367 HydrophobicContact CD2-CB 4.45Å; L363-K371 HydrophobicContact CD1-CD 4.24Å
364	T	97	Very high	94.9	Very high	82 Å²	82	77.6 Å²	77.6	50%	0.503	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-67	155.9	169.7	61.1	0	0	0	0	110.5	R366 E367 K368	T364-R366 PolarHBondContact O-N 3.27Å; T364-E367 PolarHBondContact N-OE2 3Å; T364-E367 PolarHBondContact O-N 2.83Å; T364-E367 VanDerWaalsContact O-N 3.11Å; T364-E367 WeakPolarHBondContact OG1-CB 3.28Å; T364-E367 VanDerWaalsContact OG1-CG 3.23Å; T364-E367 WeakPolarHBondContact OG1-CG 3.34Å; T364-E367 PolarHBondContact OG1-N 3.46Å; T364-E367 PolarHBondContact OG1-OE2 3.38Å; T364-K368 PolarHBondContact O-N 2.71Å
365	S	96.6	Very high	94.9	Very high	104 Å²	104	81.8 Å²	81.8	73%	0.727	44%	0.442	S	S	*	.	H	α-helix	trans	-55	-40.1	179.3	-179.4	0	0	0	0	112.4	K368 A369	S365-K368 PolarHBondContact O-N 2.92Å; S365-A369 WeakPolarHBondContact O-CB 3.31Å; S365-A369 PolarHBondContact O-N 3.28Å
366	R	96.3	Very high	95	Very high	219 Å²	219	85.3 Å²	85.3	83%	0.826	45%	0.454	S	S	*	.	H	α-helix	trans	-65.4	-43.4	177.1	-173.6	177.7	179.1	177.8	-0.3	112.6	T364 A370	T364-R366 PolarHBondContact O-N 3.27Å; R366-A370 WeakPolarHBondContact O-CB 3.39Å; R366-A370 PolarHBondContact O-N 3.41Å
367	E	95.4	Very high	95	Very high	76 Å²	76	85.5 Å²	85.5	36%	0.355	46%	0.455	S	S	.	.	H	α-helix	trans	-65.4	-41.7	176.1	-74.3	172.1	134.1	0	0	111.5	K359 L363 T364 A370 K371	K359-E367 IonicContact NZ-OE1 3.19Å; K359-E367 PolarHBondContact NZ-OE1 3.14Å; L363-E367 HydrophobicContact CB-CB 4.42Å; L363-E367 HydrophobicContact CD2-CB 4.45Å; T364-E367 PolarHBondContact N-OE2 3Å; T364-E367 PolarHBondContact O-N 2.83Å; T364-E367 VanDerWaalsContact O-N 3.11Å; T364-E367 WeakPolarHBondContact OG1-CB 3.28Å; T364-E367 VanDerWaalsContact OG1-CG 3.23Å; T364-E367 WeakPolarHBondContact OG1-CG 3.34Å; T364-E367 PolarHBondContact OG1-N 3.46Å; T364-E367 PolarHBondContact OG1-OE2 3.38Å; E367-A370 PolarHBondContact O-N 3.32Å; E367-K371 PolarHBondContact O-N 2.66Å
368	K	95.5	Very high	95.1	Very high	125 Å²	125	85.8 Å²	85.8	54%	0.543	45%	0.451	S	S	.	.	H	α-helix	trans	-60.7	-50.7	176.6	-173.7	-179.3	177.8	-176.6	0	111.1	T364 S365 A370 K371 D372	T364-K368 PolarHBondContact O-N 2.71Å; S365-K368 PolarHBondContact O-N 2.92Å; K368-A370 VanDerWaalsContact C-N 3.28Å; K368-A370 PolarHBondContact O-N 2.71Å; K368-K371 WeakPolarHBondContact O-CB 3.48Å; K368-K371 PolarHBondContact O-N 2.95Å; K368-K371 VanDerWaalsContact O-N 3.09Å; K368-D372 VanDerWaalsContact O-CG 3.32Å; K368-D372 PolarHBondContact O-N 3.02Å
369	A	96.9	Very high	95.2	Very high	57 Å²	57	87.4 Å²	87.4	47%	0.471	46%	0.459	S	S	.	.	H	α-helix	trans	-59.2	-38.5	176.7	0	0	0	0	0	112.4	S365 Y373	S365-A369 WeakPolarHBondContact O-CB 3.31Å; S365-A369 PolarHBondContact O-N 3.28Å; A369-Y373 VanDerWaalsContact O-CB 3.22Å; A369-Y373 WeakPolarHBondContact O-CB 3.33Å; A369-Y373 PolarHBondContact O-N 3.29Å
370	A	96.1	Very high	95.5	Very high	47 Å²	47	87.2 Å²	87.2	39%	0.388	46%	0.458	S	S	.	.	H	α-helix	trans	-66.1	-40.1	175.1	0	0	0	0	0	112.5	R366 E367 K368 N374	R366-A370 WeakPolarHBondContact O-CB 3.39Å; R366-A370 PolarHBondContact O-N 3.41Å; E367-A370 PolarHBondContact O-N 3.32Å; K368-A370 VanDerWaalsContact C-N 3.28Å; K368-A370 PolarHBondContact O-N 2.71Å; A370-N374 VanDerWaalsContact O-CB 3.31Å; A370-N374 WeakPolarHBondContact O-CB 3.47Å; A370-N374 PolarHBondContact O-N 2.82Å; A370-N374 PolarHBondContact O-ND2 2.83Å; A370-N374 VanDerWaalsContact O-ND2 3.15Å
371	K	94.4	Very high	95.8	Very high	75 Å²	75	83.7 Å²	83.7	33%	0.326	44%	0.439	S	S	.	.	H	α-helix	trans	-62.9	-48.1	175.2	-173.9	-175.3	176.9	-170.6	0	111	E358 L363 E367 K368 N374 Q375	E358-K371 IonicContact OE1-NZ 3.23Å; E358-K371 PolarHBondContact OE1-NZ 2.82Å; L363-K371 HydrophobicContact CD1-CD 4.24Å; E367-K371 PolarHBondContact O-N 2.66Å; K368-K371 WeakPolarHBondContact O-CB 3.48Å; K368-K371 PolarHBondContact O-N 2.95Å; K368-K371 VanDerWaalsContact O-N 3.09Å; K371-N374 PolarHBondContact O-N 3.02Å; K371-Q375 WeakPolarHBondContact O-CB 3.48Å; K371-Q375 PolarHBondContact O-N 3.48Å
372	D	96.2	Very high	96	Very high	76 Å²	76	84.8 Å²	84.8	41%	0.406	43%	0.426	S	S	.	.	H	α-helix	trans	-64	-43.3	-179.3	-64.6	-16.5	0	0	0	111.1	K368 Q375 K376	K368-D372 VanDerWaalsContact O-CG 3.32Å; K368-D372 PolarHBondContact O-N 3.02Å; D372-Q375 PolarHBondContact O-N 2.93Å; D372-K376 WeakPolarHBondContact O-CG 3.46Å; D372-K376 PolarHBondContact O-N 3.16Å
373	Y	96.9	Very high	96.1	Very high	90 Å²	90	84.1 Å²	84.1	35%	0.353	41%	0.413	S	S	.	.	H	α-helix	trans	-59.5	-47.7	174	176.6	-114.3	0	0	0	111.9	R43 A369 Q375 K376 L377	R43-Y373 PolarHBondContact NH1-OH 3.43Å; A369-Y373 VanDerWaalsContact O-CB 3.22Å; A369-Y373 WeakPolarHBondContact O-CB 3.33Å; A369-Y373 PolarHBondContact O-N 3.29Å; Y373-Q375 VanDerWaalsContact C-N 3.32Å; Y373-Q375 PolarHBondContact O-N 2.8Å; Y373-K376 PolarHBondContact O-N 2.95Å; Y373-L377 HydrophobicContact CD1-CD1 3.64Å; Y373-L377 HydrophobicContact CD2-CD1 4.2Å; Y373-L377 HydrophobicContact CE1-CD1 3.21Å; Y373-L377 HydrophobicContact CE1-CG 4.44Å; Y373-L377 HydrophobicContact CE2-CD1 3.82Å; Y373-L377 HydrophobicContact CE2-CG 4.28Å; Y373-L377 HydrophobicContact CG-CD1 4.12Å; Y373-L377 WeakPolarHBondContact O-CB 3.14Å; Y373-L377 PolarHBondContact O-N 3.27Å
374	N	96.6	Very high	96.2	Very high	55 Å²	55	87 Å²	87	29%	0.294	42%	0.421	S	S	.	.	H	α-helix	trans	-62.6	-38.4	177	-74.5	-24	0	0	0	111.9	A47 A370 K371 L377 K378	A47-N374 HydrophobicContact CB-CB 3.91Å; A370-N374 VanDerWaalsContact O-CB 3.31Å; A370-N374 WeakPolarHBondContact O-CB 3.47Å; A370-N374 PolarHBondContact O-N 2.82Å; A370-N374 PolarHBondContact O-ND2 2.83Å; A370-N374 VanDerWaalsContact O-ND2 3.15Å; K371-N374 PolarHBondContact O-N 3.02Å; N374-L377 PolarHBondContact O-N 2.69Å; N374-K378 VanDerWaalsContact O-CG 3.3Å; N374-K378 WeakPolarHBondContact O-CG 3.4Å; N374-K378 PolarHBondContact O-N 2.94Å
375	Q	95.1	Very high	96.2	Very high	90 Å²	90	87.8 Å²	87.8	42%	0.421	43%	0.427	S	S	.	.	H	α-helix	trans	-64.3	-45.7	176.6	-177.5	168	-12	0	0	111.6	K371 D372 Y373 L377 K378 E379	K371-Q375 WeakPolarHBondContact O-CB 3.48Å; K371-Q375 PolarHBondContact O-N 3.48Å; D372-Q375 PolarHBondContact O-N 2.93Å; Y373-Q375 VanDerWaalsContact C-N 3.32Å; Y373-Q375 PolarHBondContact O-N 2.8Å; Q375-L377 VanDerWaalsContact C-N 3.34Å; Q375-L377 PolarHBondContact O-N 2.85Å; Q375-K378 WeakPolarHBondContact O-CB 3.3Å; Q375-K378 PolarHBondContact O-N 3.25Å; Q375-K378 VanDerWaalsContact O-N 3.17Å; Q375-E379 WeakPolarHBondContact O-CG 3.45Å; Q375-E379 PolarHBondContact O-N 3.11Å
376	K	97.6	Very high	96.2	Very high	134 Å²	134	87.5 Å²	87.5	58%	0.583	41%	0.414	S	S	*	.	H	α-helix	trans	-62.5	-39.9	176.4	-72.9	-73.8	160.7	-151.4	0	112.8	D372 Y373 E379 K380	D372-K376 WeakPolarHBondContact O-CG 3.46Å; D372-K376 PolarHBondContact O-N 3.16Å; Y373-K376 PolarHBondContact O-N 2.95Å; K376-E379 IonicContact NZ-OE2 2.8Å; K376-E379 PolarHBondContact NZ-OE2 3.4Å; K376-E379 PolarHBondContact O-N 3.27Å; K376-K380 WeakPolarHBondContact O-CB 3.26Å; K376-K380 PolarHBondContact O-N 3.5Å
377	L	96.6	Very high	96.2	Very high	6 Å²	6	77.2 Å²	77.2	3%	0.031	38%	0.376	C	S	.	.	H	α-helix	trans	-59.8	-45.5	172	-89.5	159.4	0	0	0	112.3	E40 R43 A44 Y373 N374 Q375 E379 K380 F381	E40-L377 HydrophobicContact CB-CD2 3.65Å; E40-L377 HydrophobicContact CG-CD2 4.07Å; E40-L377 WeakPolarHBondContact O-CD2 3.25Å; R43-L377 HydrophobicContact CB-CD1 4.02Å; A44-L377 HydrophobicContact CB-CB 4.05Å; A44-L377 HydrophobicContact CB-CD2 4.31Å; Y373-L377 HydrophobicContact CD1-CD1 3.64Å; Y373-L377 HydrophobicContact CD2-CD1 4.2Å; Y373-L377 HydrophobicContact CE1-CD1 3.21Å; Y373-L377 HydrophobicContact CE1-CG 4.44Å; Y373-L377 HydrophobicContact CE2-CD1 3.82Å; Y373-L377 HydrophobicContact CE2-CG 4.28Å; Y373-L377 HydrophobicContact CG-CD1 4.12Å; Y373-L377 WeakPolarHBondContact O-CB 3.14Å; Y373-L377 PolarHBondContact O-N 3.27Å; N374-L377 PolarHBondContact O-N 2.69Å; Q375-L377 VanDerWaalsContact C-N 3.34Å; Q375-L377 PolarHBondContact O-N 2.85Å; L377-E379 VanDerWaalsContact C-N 3.34Å; L377-E379 PolarHBondContact O-N 3.26Å; L377-K380 PolarHBondContact O-N 3.48Å; L377-F381 HydrophobicContact CD2-CD2 4.13Å; L377-F381 HydrophobicContact CD2-CE2 3.86Å; L377-F381 WeakPolarHBondContact O-CD2 3.4Å; L377-F381 PolarHBondContact O-N 3.15Å
378	K	95.9	Very high	96.2	Very high	45 Å²	45	77.2 Å²	77.2	20%	0.196	38%	0.375	C	S	.	.	H	α-helix	trans	-61.5	-42.4	176.6	-72	-172.9	-54.2	179.3	0	111.9	A47 T48 E51 N374 Q375 F381 Q382	A47-K378 HydrophobicContact CB-CD 4.4Å; A47-K378 HydrophobicContact CB-CG 4.31Å; T48-K378 HydrophobicContact CG2-CD 3.82Å; T48-K378 HydrophobicContact CG2-CG 3.76Å; E51-K378 IonicContact OE1-NZ 2.8Å; E51-K378 PolarHBondContact OE1-NZ 2.91Å; E51-K378 IonicContact OE2-NZ 3.87Å; E51-K378 PolarHBondContact OE2-NZ 3.02Å; N374-K378 VanDerWaalsContact O-CG 3.3Å; N374-K378 WeakPolarHBondContact O-CG 3.4Å; N374-K378 PolarHBondContact O-N 2.94Å; Q375-K378 WeakPolarHBondContact O-CB 3.3Å; Q375-K378 PolarHBondContact O-N 3.25Å; Q375-K378 VanDerWaalsContact O-N 3.17Å; K378-F381 PolarHBondContact O-N 2.85Å; K378-Q382 VanDerWaalsContact O-CA 3.29Å; K378-Q382 WeakPolarHBondContact O-CA 3.48Å; K378-Q382 VanDerWaalsContact O-CB 3.29Å; K378-Q382 WeakPolarHBondContact O-CB 3.34Å; K378-Q382 PolarHBondContact O-N 3.12Å
379	E	95.6	Very high	96.3	Very high	80 Å²	80	79.2 Å²	79.2	37%	0.374	38%	0.379	S	S	.	.	H	α-helix	trans	-60.6	-48.1	175.3	-71.7	168.3	-169.7	0	0	111	Q375 K376 L377 F381 Q382	Q375-E379 WeakPolarHBondContact O-CG 3.45Å; Q375-E379 PolarHBondContact O-N 3.11Å; K376-E379 IonicContact NZ-OE2 2.8Å; K376-E379 PolarHBondContact NZ-OE2 3.4Å; K376-E379 PolarHBondContact O-N 3.27Å; L377-E379 VanDerWaalsContact C-N 3.34Å; L377-E379 PolarHBondContact O-N 3.26Å; E379-F381 PolarHBondContact O-N 3Å; E379-Q382 VanDerWaalsContact O-CG 3.3Å; E379-Q382 WeakPolarHBondContact O-CG 3.23Å; E379-Q382 PolarHBondContact O-N 3.42Å
380	K	97.3	Very high	96.3	Very high	124 Å²	124	78.2 Å²	78.2	54%	0.539	37%	0.365	S	S	.	.	H	α-helix	trans	-58.4	-44.8	178.4	-176.1	177.3	179.4	-178.2	0	112.5	E40 K376 L377	E40-K380 IonicContact OE1-NZ 3.54Å; E40-K380 IonicContact OE2-NZ 3.03Å; E40-K380 PolarHBondContact OE2-NZ 3.33Å; K376-K380 WeakPolarHBondContact O-CB 3.26Å; K376-K380 PolarHBondContact O-N 3.5Å; L377-K380 PolarHBondContact O-N 3.48Å
381	F	97.1	Very high	96.2	Very high	6 Å²	6	77.7 Å²	77.7	3%	0.026	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	13.7	-175.5	-65.7	-81.5	0	0	0	114.2	V37 E40 Y41 A44 L377 K378 E379 H383 Y384 I387	V37-F381 HydrophobicContact CG1-CE1 4.27Å; V37-F381 HydrophobicContact CG1-CZ 4.28Å; E40-F381 HydrophobicContact CB-CE2 3.76Å; E40-F381 HydrophobicContact CB-CZ 3.95Å; Y41-F381 AromaticContact CD2-CD1 3.94Å; Y41-F381 HydrophobicContact CD2-CD1 3.94Å; Y41-F381 HydrophobicContact CD2-CE1 4.41Å; Y41-F381 HydrophobicContact CD2-CG 4.43Å; A44-F381 HydrophobicContact CB-CB 4.08Å; A44-F381 HydrophobicContact CB-CD2 3.83Å; A44-F381 HydrophobicContact CB-CG 4.23Å; L377-F381 HydrophobicContact CD2-CD2 4.13Å; L377-F381 HydrophobicContact CD2-CE2 3.86Å; L377-F381 WeakPolarHBondContact O-CD2 3.4Å; L377-F381 PolarHBondContact O-N 3.15Å; K378-F381 PolarHBondContact O-N 2.85Å; E379-F381 PolarHBondContact O-N 3Å; F381-H383 PolarHBondContact O-N 2.81Å; F381-H383 VanDerWaalsContact O-N 3.07Å; F381-Y384 HydrophobicContact CB-CD2 4.12Å; F381-Y384 AromaticContact CD1-CD2 3.82Å; F381-Y384 HydrophobicContact CD1-CD2 3.82Å; F381-Y384 AromaticContact CD1-CE2 3.55Å; F381-Y384 HydrophobicContact CD1-CE2 3.55Å; F381-Y384 HydrophobicContact CE1-CE2 4.23Å; F381-Y384 HydrophobicContact CG-CD2 4.47Å; F381-Y384 PolarHBondContact O-N 2.79Å; F381-Y384 VanDerWaalsContact O-N 3.14Å; F381-I387 HydrophobicContact CB-CD1 3.59Å
382	Q	95.1	Very high	96.1	Very high	89 Å²	89	82.7 Å²	82.7	42%	0.416	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-26.7	-171.7	70	-177.6	-10.1	0	0	114.7	K378 E379 K388	K378-Q382 VanDerWaalsContact O-CA 3.29Å; K378-Q382 WeakPolarHBondContact O-CA 3.48Å; K378-Q382 VanDerWaalsContact O-CB 3.29Å; K378-Q382 WeakPolarHBondContact O-CB 3.34Å; K378-Q382 PolarHBondContact O-N 3.12Å; E379-Q382 VanDerWaalsContact O-CG 3.3Å; E379-Q382 WeakPolarHBondContact O-CG 3.23Å; E379-Q382 PolarHBondContact O-N 3.42Å; Q382-K388 WeakPolarHBondContact O-CB 3.47Å
383	H	95.9	Very high	95.9	Very high	134 Å²	134	85.3 Å²	85.3	62%	0.62	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-13.8	-175.5	-62.6	-73.9	0	0	0	113.4	F381	F381-H383 PolarHBondContact O-N 2.81Å; F381-H383 VanDerWaalsContact O-N 3.07Å
384	Y	96.7	Very high	95.7	Very high	113 Å²	113	84 Å²	84	44%	0.443	38%	0.382	S	S	.	.	S	Bend	trans	-66	135.5	-178.6	-80.9	-104.8	0	0	0	111.1	Y41 F381 H386 I387 K388	Y41-Y384 HydrophobicContact CD2-CD1 4.14Å; Y41-Y384 HydrophobicContact CD2-CE1 4.49Å; Y41-Y384 HydrophobicContact CD2-CG 4.36Å; Y41-Y384 AromaticContact CE2-CD1 3.71Å; Y41-Y384 HydrophobicContact CE2-CD1 3.71Å; Y41-Y384 HydrophobicContact CE2-CE1 4.44Å; Y41-Y384 AromaticContact CE2-CG 3.94Å; Y41-Y384 HydrophobicContact CE2-CG 3.94Å; F381-Y384 HydrophobicContact CB-CD2 4.12Å; F381-Y384 AromaticContact CD1-CD2 3.82Å; F381-Y384 HydrophobicContact CD1-CD2 3.82Å; F381-Y384 AromaticContact CD1-CE2 3.55Å; F381-Y384 HydrophobicContact CD1-CE2 3.55Å; F381-Y384 HydrophobicContact CE1-CE2 4.23Å; F381-Y384 HydrophobicContact CG-CD2 4.47Å; F381-Y384 PolarHBondContact O-N 2.79Å; F381-Y384 VanDerWaalsContact O-N 3.14Å; Y384-H386 PolarHBondContact O-N 3.34Å; Y384-I387 PolarHBondContact O-N 2.91Å; Y384-K388 WeakPolarHBondContact O-CB 3.4Å; Y384-K388 PolarHBondContact O-N 2.77Å
385	P	96.4	Very high	95.5	Very high	98 Å²	98	88.7 Å²	88.7	64%	0.636	40%	0.401	S	S	*	.	H	α-helix	trans	-55.3	-45.4	-170.2	-28.4	34.5	0	0	0	114.6	R389	P385-R389 WeakPolarHBondContact O-CB 3.22Å; P385-R389 PolarHBondContact O-N 2.79Å
386	H	96.5	Very high	95.5	Very high	98 Å²	98	86.2 Å²	86.2	45%	0.454	39%	0.391	S	S	.	.	H	α-helix	trans	-66.4	-46.6	-178.9	-66.5	-67.9	0	0	0	112.3	L45 Y384 R389 I390	L45-H386 HydrophobicContact CD1-CB 4.35Å; Y384-H386 PolarHBondContact O-N 3.34Å; H386-R389 PolarHBondContact O-N 3.1Å; H386-I390 WeakPolarHBondContact O-CD1 3.38Å; H386-I390 VanDerWaalsContact O-CG1 3.25Å; H386-I390 WeakPolarHBondContact O-CG1 3.39Å; H386-I390 PolarHBondContact O-N 3.42Å; H386-I390 VanDerWaalsContact O-N 3.07Å
387	I	96.7	Very high	95.4	Very high	3 Å²	3	81.5 Å²	81.5	2%	0.015	37%	0.374	C	S	.	.	H	α-helix	trans	-63.2	-49.8	177.6	-74.1	169.1	0	0	0	110.1	Y41 A44 L45 T48 F381 Y384 R389 I390 A391	Y41-I387 HydrophobicContact CD2-CD1 3.94Å; Y41-I387 HydrophobicContact CE2-CD1 3.67Å; Y41-I387 HydrophobicContact CE2-CG1 4.34Å; A44-I387 HydrophobicContact CB-CD1 3.91Å; L45-I387 HydrophobicContact CB-CG1 4.33Å; L45-I387 HydrophobicContact CD1-CG1 3.97Å; T48-I387 HydrophobicContact CG2-CB 4.48Å; T48-I387 HydrophobicContact CG2-CG1 4.41Å; T48-I387 HydrophobicContact CG2-CG2 3.69Å; F381-I387 HydrophobicContact CB-CD1 3.59Å; Y384-I387 PolarHBondContact O-N 2.91Å; I387-R389 VanDerWaalsContact C-N 3.33Å; I387-R389 PolarHBondContact O-N 2.89Å; I387-I390 PolarHBondContact O-N 2.99Å; I387-A391 VanDerWaalsContact O-CB 3.23Å; I387-A391 WeakPolarHBondContact O-CB 3.46Å; I387-A391 PolarHBondContact O-N 2.9Å
388	K	96	Very high	95.2	Very high	76 Å²	76	90 Å²	90	33%	0.33	41%	0.411	S	S	.	.	H	α-helix	trans	-58.5	-42.7	178.9	-172.6	177.8	178.5	-178	0	112.1	Q382 Y384 R392	Q382-K388 WeakPolarHBondContact O-CB 3.47Å; Y384-K388 WeakPolarHBondContact O-CB 3.4Å; Y384-K388 PolarHBondContact O-N 2.77Å; K388-R392 VanDerWaalsContact CE-NH1 3.35Å; K388-R392 WeakPolarHBondContact O-CB 3.49Å; K388-R392 VanDerWaalsContact O-CG 3.26Å; K388-R392 WeakPolarHBondContact O-CG 3.35Å; K388-R392 PolarHBondContact O-N 3.22Å
389	R	96.4	Very high	95.1	Very high	168 Å²	168	91.4 Å²	91.4	63%	0.634	43%	0.426	S	S	*	.	H	α-helix	trans	-63.9	-48.5	177.8	-175.2	178.6	68.4	177.2	2.6	111.3	P385 H386 I387 R392 H393	P385-R389 WeakPolarHBondContact O-CB 3.22Å; P385-R389 PolarHBondContact O-N 2.79Å; H386-R389 PolarHBondContact O-N 3.1Å; I387-R389 VanDerWaalsContact C-N 3.33Å; I387-R389 PolarHBondContact O-N 2.89Å; R389-R392 PolarHBondContact O-N 2.82Å; R389-H393 WeakPolarHBondContact O-CB 3.46Å; R389-H393 PolarHBondContact O-N 2.82Å
390	I	96.4	Very high	95	Very high	35 Å²	35	87.9 Å²	87.9	18%	0.179	41%	0.41	C	S	.	.	H	α-helix	trans	-65.2	-42.8	179.7	-66	165.6	0	0	0	110.7	L45 K49 R52 H386 I387 R392 H393	L45-I390 HydrophobicContact CD1-CD1 3.71Å; K49-I390 HydrophobicContact CG-CD1 4.14Å; K49-I390 HydrophobicContact CG-CG2 4.46Å; R52-I390 HydrophobicContact CG-CG2 3.79Å; H386-I390 WeakPolarHBondContact O-CD1 3.38Å; H386-I390 VanDerWaalsContact O-CG1 3.25Å; H386-I390 WeakPolarHBondContact O-CG1 3.39Å; H386-I390 PolarHBondContact O-N 3.42Å; H386-I390 VanDerWaalsContact O-N 3.07Å; I387-I390 PolarHBondContact O-N 2.99Å; I390-R392 VanDerWaalsContact C-N 3.33Å; I390-R392 PolarHBondContact O-N 2.93Å; I390-H393 PolarHBondContact O-N 3.04Å
391	A	94.1	Very high	94.9	Very high	36 Å²	36	87.9 Å²	87.9	30%	0.298	41%	0.407	S	S	.	.	H	α-helix	trans	-67.4	-29.8	179.7	0	0	0	0	0	113.4	R52 I387	R52-A391 VanDerWaalsContact CZ-O 3.22Å; R52-A391 PolarHBondContact NH1-O 3.38Å; R52-A391 PolarHBondContact NH2-O 3.11Å; I387-A391 VanDerWaalsContact O-CB 3.23Å; I387-A391 WeakPolarHBondContact O-CB 3.46Å; I387-A391 PolarHBondContact O-N 2.9Å
392	R	92.1	Very high	94.8	Very high	181 Å²	181	89.9 Å²	89.9	68%	0.683	42%	0.422	S	S	*	.	H	α-helix	trans	-87.1	-24.1	177.2	-72.9	178.7	177.3	-164.3	-6.8	113.8	K388 R389 I390 R394	K388-R392 VanDerWaalsContact CE-NH1 3.35Å; K388-R392 WeakPolarHBondContact O-CB 3.49Å; K388-R392 VanDerWaalsContact O-CG 3.26Å; K388-R392 WeakPolarHBondContact O-CG 3.35Å; K388-R392 PolarHBondContact O-N 3.22Å; R389-R392 PolarHBondContact O-N 2.82Å; I390-R392 VanDerWaalsContact C-N 3.33Å; I390-R392 PolarHBondContact O-N 2.93Å; R392-R394 PolarHBondContact O-N 3.02Å
393	H	93.4	Very high	94.8	Very high	131 Å²	131	89.6 Å²	89.6	61%	0.606	42%	0.421	S	S	*	.			trans	-64.1	122.5	-176.7	-176	-92.7	0	0	0	111	R52 R389 I390	R52-H393 PolarHBondContact NH1-O 3.33Å; R389-H393 WeakPolarHBondContact O-CB 3.46Å; R389-H393 PolarHBondContact O-N 2.82Å; I390-H393 PolarHBondContact O-N 3.04Å
394	R	92.3	Very high	94.7	Very high	63 Å²	63	85.3 Å²	85.3	24%	0.238	40%	0.402	C	S	.	.			trans	-133.4	139.9	171.9	-64.9	-62.1	-178.5	-171.4	3.6	108.4	R52 E318 R392	R52-R394 VanDerWaalsContact CZ-CZ 3.42Å; R52-R394 VanDerWaalsContact CZ-NH2 3.31Å; R52-R394 VanDerWaalsContact NH1-NE 3.19Å; R52-R394 VanDerWaalsContact NH1-NH1 3.18Å; R52-R394 VanDerWaalsContact NH1-NH2 3.11Å; E318-R394 IonicContact OE1-CZ 2.74Å; E318-R394 IonicContact OE1-NH1 2.66Å; E318-R394 IonicContact OE1-NH2 3.1Å; E318-R394 PolarHBondContact OE1-NH2 2.65Å; R392-R394 PolarHBondContact O-N 3.02Å
395	H	92.8	Very high	94.6	Very high	152 Å²	152	84.2 Å²	84.2	70%	0.704	40%	0.401	S	S	*	.			trans	-79.1	120.5	171.2	-174.9	72.5	0	0	0	108.4	H321	H321-H395 PolarHBondContact NE2-O 2.77Å
396	L	94.4	Very high	94.5	Very high	39 Å²	39	83.9 Å²	83.9	20%	0.204	39%	0.391	C	S	.	.			trans	-111.1	149.7	176.8	-66.2	174.1	0	0	0	109.6	V319 I404	V319-L396 HydrophobicContact CB-CD2 4.28Å; V319-L396 HydrophobicContact CG1-CD2 3.92Å; L396-I404 HydrophobicContact CD1-CD1 3.8Å
397	P	95.1	Very high	94.4	Very high	34 Å²	34	82 Å²	82	22%	0.221	38%	0.382	C	S	.	.			trans	-56.5	147.8	169.9	-21.5	33.6	0	0	0	111.2	H321 S399 I400 Y401	H321-P397 HydrophobicContact CB-CG 4.28Å; H321-P397 WeakPolarHBondContact ND1-CG 3.35Å; P397-S399 VanDerWaalsContact C-N 3.25Å; P397-S399 PolarHBondContact O-N 3.05Å; P397-I400 HydrophobicContact CB-CG1 4.32Å; P397-I400 HydrophobicContact CG-CD1 3.93Å; P397-I400 HydrophobicContact CG-CG1 4.28Å; P397-I400 PolarHBondContact O-N 2.79Å; P397-Y401 WeakPolarHBondContact O-CB 3.05Å; P397-Y401 PolarHBondContact O-N 3.4Å
398	K	94.2	Very high	94.2	Very high	185 Å²	185	89.3 Å²	89.3	80%	0.804	41%	0.409	S	S	*	.	H	α-helix	trans	-56.9	-38.4	-178.9	-172.6	179.3	178.8	-176.5	0	112.6	Y401 S402	K398-Y401 PolarHBondContact O-N 3.5Å; K398-S402 WeakPolarHBondContact O-CB 3.4Å; K398-S402 PolarHBondContact O-N 3.27Å
399	S	92.9	Very high	94.2	Very high	75 Å²	75	91.1 Å²	91.1	52%	0.524	42%	0.422	S	S	.	.	H	α-helix	trans	-59.4	-53.9	177.3	49.2	0	0	0	0	111.8	P397 Y401 S402 Q403	P397-S399 VanDerWaalsContact C-N 3.25Å; P397-S399 PolarHBondContact O-N 3.05Å; S399-Y401 VanDerWaalsContact C-N 3.33Å; S399-Y401 PolarHBondContact O-N 3.42Å; S399-S402 PolarHBondContact O-N 3.35Å; S399-Q403 WeakPolarHBondContact O-CG 3.38Å; S399-Q403 PolarHBondContact O-N 3.01Å; S399-Q403 VanDerWaalsContact O-N 3.08Å
400	I	94.3	Very high	94.1	Very high	5 Å²	5	88 Å²	88	3%	0.026	42%	0.415	C	S	.	.	H	α-helix	trans	-60.8	-44.4	178.2	-59.2	-173.9	0	0	0	110	V282 D303 P397 S402 Q403 I404	V282-I400 HydrophobicContact CG2-CG2 3.89Å; D303-I400 WeakPolarHBondContact O-CD1 3.4Å; P397-I400 HydrophobicContact CB-CG1 4.32Å; P397-I400 HydrophobicContact CG-CD1 3.93Å; P397-I400 HydrophobicContact CG-CG1 4.28Å; P397-I400 PolarHBondContact O-N 2.79Å; I400-S402 PolarHBondContact O-N 3.16Å; I400-Q403 PolarHBondContact O-N 3.17Å; I400-I404 HydrophobicContact CG2-CD1 3.77Å; I400-I404 HydrophobicContact CG2-CG1 4.36Å; I400-I404 VanDerWaalsContact O-CG1 3.22Å; I400-I404 WeakPolarHBondContact O-CG1 3.4Å; I400-I404 PolarHBondContact O-N 3.15Å
401	Y	94.3	Very high	93.9	Very high	125 Å²	125	90.9 Å²	90.9	49%	0.49	43%	0.427	S	S	.	.	H	α-helix	trans	-62.4	-44.6	-179.6	-175.4	-97.4	0	0	0	112.9	P397 K398 S399 I404 Q405	P397-Y401 WeakPolarHBondContact O-CB 3.05Å; P397-Y401 PolarHBondContact O-N 3.4Å; K398-Y401 PolarHBondContact O-N 3.5Å; S399-Y401 VanDerWaalsContact C-N 3.33Å; S399-Y401 PolarHBondContact O-N 3.42Å; Y401-I404 PolarHBondContact O-N 3.09Å; Y401-Q405 HydrophobicContact CE1-CG 4.23Å; Y401-Q405 VanDerWaalsContact CZ-NE2 3.33Å; Y401-Q405 WeakPolarHBondContact O-CG 3.4Å; Y401-Q405 PolarHBondContact O-N 3.19Å; Y401-Q405 VanDerWaalsContact O-N 3.16Å; Y401-Q405 PolarHBondContact OH-NE2 3.38Å; Y401-Q405 VanDerWaalsContact OH-NE2 3.09Å
402	S	95.4	Very high	93.9	Very high	48 Å²	48	94.3 Å²	94.3	34%	0.336	44%	0.436	S	S	.	.	H	α-helix	trans	-61	-48.9	176.8	-165.8	0	0	0	0	111.2	K398 S399 I400 I404 Q405 E406	K398-S402 WeakPolarHBondContact O-CB 3.4Å; K398-S402 PolarHBondContact O-N 3.27Å; S399-S402 PolarHBondContact O-N 3.35Å; I400-S402 PolarHBondContact O-N 3.16Å; S402-I404 VanDerWaalsContact C-N 3.33Å; S402-I404 PolarHBondContact O-N 3.07Å; S402-Q405 WeakPolarHBondContact O-CB 3.4Å; S402-Q405 PolarHBondContact O-N 3.12Å; S402-E406 PolarHBondContact O-N 3.5Å; S402-E406 PolarHBondContact OG-OE1 3.33Å
403	Q	94.8	Very high	94.1	Very high	83 Å²	83	88.3 Å²	88.3	39%	0.388	43%	0.426	S	S	.	.	H	α-helix	trans	-64.6	-36.1	-179.1	-70	174.5	-21.7	0	0	112.2	V282 S399 I400 Q405 E406 Q407	V282-Q403 HydrophobicContact CG1-CB 3.29Å; V282-Q403 HydrophobicContact CG1-CG 4.15Å; S399-Q403 WeakPolarHBondContact O-CG 3.38Å; S399-Q403 PolarHBondContact O-N 3.01Å; S399-Q403 VanDerWaalsContact O-N 3.08Å; I400-Q403 PolarHBondContact O-N 3.17Å; Q403-Q405 VanDerWaalsContact C-N 3.31Å; Q403-Q405 PolarHBondContact O-N 3.05Å; Q403-E406 PolarHBondContact O-N 2.93Å; Q403-Q407 WeakPolarHBondContact O-CB 3.5Å; Q403-Q407 VanDerWaalsContact O-CG 3.3Å; Q403-Q407 WeakPolarHBondContact O-CG 3.45Å; Q403-Q407 PolarHBondContact O-N 3.37Å
404	I	94.4	Very high	94	Very high	43 Å²	43	90.6 Å²	90.6	22%	0.221	43%	0.429	C	S	.	.	H	α-helix	trans	-60.4	-42	172.1	-71.9	168.3	0	0	0	111	V282 L396 I400 Y401 S402 R408	V282-I404 HydrophobicContact CG2-CD1 4.07Å; V282-I404 HydrophobicContact CG2-CG1 3.41Å; V282-I404 VanDerWaalsContact CG2-CG1 3.41Å; L396-I404 HydrophobicContact CD1-CD1 3.8Å; I400-I404 HydrophobicContact CG2-CD1 3.77Å; I400-I404 HydrophobicContact CG2-CG1 4.36Å; I400-I404 VanDerWaalsContact O-CG1 3.22Å; I400-I404 WeakPolarHBondContact O-CG1 3.4Å; I400-I404 PolarHBondContact O-N 3.15Å; Y401-I404 PolarHBondContact O-N 3.09Å; S402-I404 VanDerWaalsContact C-N 3.33Å; S402-I404 PolarHBondContact O-N 3.07Å; I404-R408 WeakPolarHBondContact O-CB 3.48Å; I404-R408 PolarHBondContact O-N 3.08Å
405	Q	94.3	Very high	94	Very high	90 Å²	90	95.7 Å²	95.7	42%	0.421	45%	0.448	S	S	.	.	H	α-helix	trans	-65.1	-46.4	178.1	-70.7	-174.1	-28.4	0	0	111.1	Y401 S402 Q403 R408 I409	Y401-Q405 HydrophobicContact CE1-CG 4.23Å; Y401-Q405 VanDerWaalsContact CZ-NE2 3.33Å; Y401-Q405 WeakPolarHBondContact O-CG 3.4Å; Y401-Q405 PolarHBondContact O-N 3.19Å; Y401-Q405 VanDerWaalsContact O-N 3.16Å; Y401-Q405 PolarHBondContact OH-NE2 3.38Å; Y401-Q405 VanDerWaalsContact OH-NE2 3.09Å; S402-Q405 WeakPolarHBondContact O-CB 3.4Å; S402-Q405 PolarHBondContact O-N 3.12Å; Q403-Q405 VanDerWaalsContact C-N 3.31Å; Q403-Q405 PolarHBondContact O-N 3.05Å; Q405-R408 PolarHBondContact O-N 3.43Å; Q405-I409 VanDerWaalsContact O-CG1 3.31Å; Q405-I409 WeakPolarHBondContact O-CG1 3.37Å; Q405-I409 PolarHBondContact O-N 3.25Å
406	E	94.9	Very high	94.1	Very high	92 Å²	92	96.2 Å²	96.2	43%	0.43	44%	0.444	S	S	.	.	H	α-helix	trans	-58.7	-48.9	175.8	-72.2	166.3	-149.2	0	0	111.6	S402 Q403 R408 I409 M410	S402-E406 PolarHBondContact O-N 3.5Å; S402-E406 PolarHBondContact OG-OE1 3.33Å; Q403-E406 PolarHBondContact O-N 2.93Å; E406-R408 VanDerWaalsContact C-N 3.3Å; E406-R408 PolarHBondContact O-N 2.93Å; E406-I409 PolarHBondContact O-N 3.23Å; E406-I409 VanDerWaalsContact O-N 3.16Å; E406-M410 VanDerWaalsContact O-CG 3.32Å; E406-M410 WeakPolarHBondContact O-CG 3.49Å; E406-M410 PolarHBondContact O-N 3.47Å
407	Q	92.7	Very high	94	Very high	57 Å²	57	102.2 Å²	102.2	27%	0.266	47%	0.469	S	S	.	.	H	α-helix	trans	-60.7	-38	177.2	-76	-176.7	-7.2	0	0	112.5	Y261 V282 Q403 M410 K411	Y261-Q407 VanDerWaalsContact CE2-NE2 3.28Å; V282-Q407 PolarHBondContact O-NE2 3.43Å; Q403-Q407 WeakPolarHBondContact O-CB 3.5Å; Q403-Q407 VanDerWaalsContact O-CG 3.3Å; Q403-Q407 WeakPolarHBondContact O-CG 3.45Å; Q403-Q407 PolarHBondContact O-N 3.37Å; Q407-M410 PolarHBondContact O-N 2.79Å; Q407-K411 VanDerWaalsContact O-CB 3.28Å; Q407-K411 WeakPolarHBondContact O-CB 2.96Å; Q407-K411 PolarHBondContact O-N 3.35Å
408	R	93.8	Very high	93.8	Very high	158 Å²	158	103.8 Å²	103.8	60%	0.596	47%	0.473	S	S	*	.	H	α-helix	trans	-63.3	-46.9	174.8	-175.5	-179.1	-68.7	175.3	-0.3	111	I404 Q405 E406 M410 K411 E412	I404-R408 WeakPolarHBondContact O-CB 3.48Å; I404-R408 PolarHBondContact O-N 3.08Å; Q405-R408 PolarHBondContact O-N 3.43Å; E406-R408 VanDerWaalsContact C-N 3.3Å; E406-R408 PolarHBondContact O-N 2.93Å; R408-M410 PolarHBondContact O-N 2.86Å; R408-K411 PolarHBondContact O-N 3.47Å; R408-E412 WeakPolarHBondContact CG-OE1 3.44Å; R408-E412 WeakPolarHBondContact O-CB 3.32Å; R408-E412 WeakPolarHBondContact O-CG 3.29Å; R408-E412 PolarHBondContact O-N 3.5Å
409	I	96.2	Very high	93.6	Very high	114 Å²	114	97.7 Å²	97.7	59%	0.585	45%	0.451	S	S	*	.	H	α-helix	trans	-60.4	-46.4	177.6	-66.5	163.6	0	0	0	110.2	Q405 E406 K411 E412 A413	Q405-I409 VanDerWaalsContact O-CG1 3.31Å; Q405-I409 WeakPolarHBondContact O-CG1 3.37Å; Q405-I409 PolarHBondContact O-N 3.25Å; E406-I409 PolarHBondContact O-N 3.23Å; E406-I409 VanDerWaalsContact O-N 3.16Å; I409-K411 PolarHBondContact O-N 3.03Å; I409-E412 PolarHBondContact O-N 3.03Å; I409-A413 WeakPolarHBondContact O-CB 3.15Å; I409-A413 PolarHBondContact O-N 3.33Å
410	M	94.2	Very high	93.6	Very high	101 Å²	101	97.6 Å²	97.6	50%	0.498	45%	0.445	S	S	.	.	H	α-helix	trans	-60.9	-43	177	-68.8	-176.6	-168.4	0	0	112.1	E406 Q407 R408 A413 R414	E406-M410 VanDerWaalsContact O-CG 3.32Å; E406-M410 WeakPolarHBondContact O-CG 3.49Å; E406-M410 PolarHBondContact O-N 3.47Å; Q407-M410 PolarHBondContact O-N 2.79Å; R408-M410 PolarHBondContact O-N 2.86Å; M410-A413 PolarHBondContact O-N 2.97Å; M410-R414 WeakPolarHBondContact O-CG 3.47Å; M410-R414 PolarHBondContact O-N 3.4Å
411	K	91.1	Very high	93.5	Very high	97 Å²	97	104.4 Å²	104.4	42%	0.422	47%	0.47	S	S	.	.	H	α-helix	trans	-67.7	-40.9	179.6	-165.9	168.6	-175.5	170	0	111.7	M279 Q407 R408 I409 R414 R415	M279-K411 PolarHBondContact SD-NZ 3.25Å; Q407-K411 VanDerWaalsContact O-CB 3.28Å; Q407-K411 WeakPolarHBondContact O-CB 2.96Å; Q407-K411 PolarHBondContact O-N 3.35Å; R408-K411 PolarHBondContact O-N 3.47Å; I409-K411 PolarHBondContact O-N 3.03Å; K411-R414 PolarHBondContact O-N 3.39Å; K411-R415 WeakPolarHBondContact O-CB 3.34Å; K411-R415 PolarHBondContact O-N 3.13Å
412	E	94.6	Very high	93.3	Very high	107 Å²	107	101.3 Å²	101.3	50%	0.5	46%	0.461	S	S	.	.	H	α-helix	trans	-65	-40.9	174	-74.8	178.2	-162.8	0	0	112.1	R408 I409 R415 R416	R408-E412 WeakPolarHBondContact CG-OE1 3.44Å; R408-E412 WeakPolarHBondContact O-CB 3.32Å; R408-E412 WeakPolarHBondContact O-CG 3.29Å; R408-E412 PolarHBondContact O-N 3.5Å; I409-E412 PolarHBondContact O-N 3.03Å; E412-R415 PolarHBondContact O-N 3.16Å; E412-R416 WeakPolarHBondContact O-CB 3.47Å; E412-R416 PolarHBondContact O-N 2.54Å
413	A	96.2	Very high	93.1	Very high	56 Å²	56	106.3 Å²	106.3	46%	0.463	48%	0.477	S	S	.	.	H	α-helix	trans	-62.9	-46	175.1	0	0	0	0	0	111.9	I409 M410 R416 K417	I409-A413 WeakPolarHBondContact O-CB 3.15Å; I409-A413 PolarHBondContact O-N 3.33Å; M410-A413 PolarHBondContact O-N 2.97Å; A413-R416 PolarHBondContact O-N 3.3Å; A413-K417 WeakPolarHBondContact O-CB 3.35Å; A413-K417 PolarHBondContact O-N 3.13Å
414	R	92.4	Very high	93	Very high	178 Å²	178	110.2 Å²	110.2	67%	0.672	50%	0.495	S	S	*	.	H	α-helix	trans	-60.7	-46	174.4	-73.2	-176.5	-158	171.7	6.8	111.6	M410 K411 R416 K417 E418	M410-R414 WeakPolarHBondContact O-CG 3.47Å; M410-R414 PolarHBondContact O-N 3.4Å; K411-R414 PolarHBondContact O-N 3.39Å; R414-R416 VanDerWaalsContact C-N 3.35Å; R414-R416 PolarHBondContact O-N 3.4Å; R414-K417 WeakPolarHBondContact O-CB 3.45Å; R414-K417 PolarHBondContact O-N 3.25Å; R414-E418 PolarHBondContact O-N 3.04Å
415	R	91.1	Very high	92.9	Very high	170 Å²	170	109.6 Å²	109.6	64%	0.642	50%	0.495	S	S	*	.	H	α-helix	trans	-60.9	-43.3	177.6	-173.4	178.4	-179.3	-176.4	1.6	111.6	K411 E412 K417 E418 V419	K411-R415 WeakPolarHBondContact O-CB 3.34Å; K411-R415 PolarHBondContact O-N 3.13Å; E412-R415 PolarHBondContact O-N 3.16Å; R415-K417 VanDerWaalsContact C-N 3.35Å; R415-E418 PolarHBondContact O-N 2.69Å; R415-V419 WeakPolarHBondContact O-CB 3.48Å; R415-V419 VanDerWaalsContact O-CG2 3.28Å; R415-V419 WeakPolarHBondContact O-CG2 3.44Å; R415-V419 PolarHBondContact O-N 2.84Å
416	R	94	Very high	92.8	Very high	163 Å²	163	113.6 Å²	113.6	62%	0.615	51%	0.511	S	S	*	.	H	α-helix	trans	-61.2	-43.7	175.5	-170.1	-175.7	-59.8	171.8	2.3	111.3	E412 A413 R414 V419 N420	E412-R416 WeakPolarHBondContact O-CB 3.47Å; E412-R416 PolarHBondContact O-N 2.54Å; A413-R416 PolarHBondContact O-N 3.3Å; R414-R416 VanDerWaalsContact C-N 3.35Å; R414-R416 PolarHBondContact O-N 3.4Å; R416-V419 PolarHBondContact O-N 2.87Å; R416-N420 WeakPolarHBondContact O-CB 3.38Å; R416-N420 PolarHBondContact O-N 3.17Å; R416-N420 PolarHBondContact O-OD1 2.81Å
417	K	94.1	Very high	92.3	Very high	166 Å²	166	115.8 Å²	115.8	72%	0.722	53%	0.533	S	S	*	.	H	α-helix	trans	-61.9	-44.1	176.6	-171.3	176.9	-178.6	178	0	111.9	A413 R414 R415 N420 R421	A413-K417 WeakPolarHBondContact O-CB 3.35Å; A413-K417 PolarHBondContact O-N 3.13Å; R414-K417 WeakPolarHBondContact O-CB 3.45Å; R414-K417 PolarHBondContact O-N 3.25Å; R415-K417 VanDerWaalsContact C-N 3.35Å; K417-N420 PolarHBondContact O-N 3.02Å; K417-R421 WeakPolarHBondContact O-CB 3.45Å; K417-R421 PolarHBondContact O-N 2.82Å
418	E	89.8	Confident	91.8	Very high	67 Å²	67	117 Å²	117	31%	0.313	56%	0.56	S	S	.	*	H	α-helix	trans	-62.2	-46.8	175.1	-75.5	-178	174.1	0	0	112.1	R414 R415 N420 R421 I422 K438	R414-E418 PolarHBondContact O-N 3.04Å; R415-E418 PolarHBondContact O-N 2.69Å; E418-N420 VanDerWaalsContact C-N 3.34Å; E418-N420 PolarHBondContact O-N 3.03Å; E418-R421 WeakPolarHBondContact O-CB 3.5Å; E418-R421 PolarHBondContact O-N 3.01Å; E418-I422 VanDerWaalsContact O-CG1 3.3Å; E418-I422 WeakPolarHBondContact O-CG1 3.11Å; E418-I422 PolarHBondContact O-N 2.93Å; E418-K438 IonicContact OE1-NZ 3.12Å; E418-K438 PolarHBondContact OE1-NZ 3.39Å; E418-K438 IonicContact OE2-NZ 3.96Å; E418-K438 PolarHBondContact OE2-NZ 3.42Å
419	V	91.1	Very high	91.5	Very high	57 Å²	57	112.8 Å²	112.8	35%	0.345	56%	0.555	S	S	.	*	H	α-helix	trans	-61.9	-43.1	178.5	170.1	0	0	0	0	110.9	R415 R416 I422 K423	R415-V419 WeakPolarHBondContact O-CB 3.48Å; R415-V419 VanDerWaalsContact O-CG2 3.28Å; R415-V419 WeakPolarHBondContact O-CG2 3.44Å; R415-V419 PolarHBondContact O-N 2.84Å; R416-V419 PolarHBondContact O-N 2.87Å; V419-I422 PolarHBondContact O-N 3.39Å; V419-K423 HydrophobicContact CG1-CD 4.15Å; V419-K423 WeakPolarHBondContact O-CG 3.44Å; V419-K423 PolarHBondContact O-N 3.09Å
420	N	93.1	Very high	91	Very high	73 Å²	73	108.8 Å²	108.8	39%	0.39	54%	0.536	S	S	.	.	H	α-helix	trans	-63.3	-42.9	175.4	-71.2	-4.4	0	0	0	111.1	R416 K417 E418 I422 K423 H424	R416-N420 WeakPolarHBondContact O-CB 3.38Å; R416-N420 PolarHBondContact O-N 3.17Å; R416-N420 PolarHBondContact O-OD1 2.81Å; K417-N420 PolarHBondContact O-N 3.02Å; E418-N420 VanDerWaalsContact C-N 3.34Å; E418-N420 PolarHBondContact O-N 3.03Å; N420-I422 VanDerWaalsContact C-N 3.33Å; N420-I422 PolarHBondContact O-N 3.43Å; N420-K423 PolarHBondContact O-N 2.73Å; N420-H424 PolarHBondContact O-CD2 3.26Å; N420-H424 PolarHBondContact O-N 2.89Å
421	R	92.1	Very high	90.5	Very high	148 Å²	148	108.8 Å²	108.8	56%	0.558	54%	0.543	S	S	*	.	H	α-helix	trans	-58.6	-45	175.4	-173.1	178.2	67.9	-168.6	0.9	111.5	K417 E418 H424 S425 V430	K417-R421 WeakPolarHBondContact O-CB 3.45Å; K417-R421 PolarHBondContact O-N 2.82Å; E418-R421 WeakPolarHBondContact O-CB 3.5Å; E418-R421 PolarHBondContact O-N 3.01Å; R421-H424 PolarHBondContact O-N 2.8Å; R421-S425 WeakPolarHBondContact O-CB 3.49Å; R421-S425 PolarHBondContact O-N 3.19Å; R421-S425 PolarHBondContact O-OG 3.36Å; R421-S425 VanDerWaalsContact O-OG 3.13Å; R421-V430 HydrophobicContact CG-CG2 4.41Å
422	I	89.1	Confident	90	Very high	59 Å²	59	111 Å²	111	30%	0.303	56%	0.558	S	S	.	*	H	α-helix	trans	-61.8	-47.5	177.6	-67.2	161.1	0	0	0	110.4	E418 V419 N420 H424 S425 V430 I432	E418-I422 VanDerWaalsContact O-CG1 3.3Å; E418-I422 WeakPolarHBondContact O-CG1 3.11Å; E418-I422 PolarHBondContact O-N 2.93Å; V419-I422 PolarHBondContact O-N 3.39Å; N420-I422 VanDerWaalsContact C-N 3.33Å; N420-I422 PolarHBondContact O-N 3.43Å; I422-H424 VanDerWaalsContact C-N 3.35Å; I422-H424 PolarHBondContact O-N 3.21Å; I422-S425 PolarHBondContact O-N 2.77Å; I422-S425 PolarHBondContact O-OG 3.17Å; I422-V430 HydrophobicContact CG1-CB 4.26Å; I422-V430 HydrophobicContact CG1-CG1 3.86Å; I422-I432 HydrophobicContact CD1-CG1 4.28Å
423	K	90.5	Very high	89.5	Confident	154 Å²	154	109 Å²	109	67%	0.67	55%	0.553	S	S	*	*	H	α-helix	trans	-62.6	-36.7	-178.9	-74.7	178.3	177.7	-174	0	113.9	V419 N420	V419-K423 HydrophobicContact CG1-CD 4.15Å; V419-K423 WeakPolarHBondContact O-CG 3.44Å; V419-K423 PolarHBondContact O-N 3.09Å; N420-K423 PolarHBondContact O-N 2.73Å
424	H	92.6	Very high	89	Confident	164 Å²	164	109.3 Å²	109.3	76%	0.759	55%	0.552	S	S	*	*	H	α-helix	trans	-96.2	-3	-177.4	-63.5	-63.7	0	0	0	113.8	N420 R421 I422	N420-H424 PolarHBondContact O-CD2 3.26Å; N420-H424 PolarHBondContact O-N 2.89Å; R421-H424 PolarHBondContact O-N 2.8Å; I422-H424 VanDerWaalsContact C-N 3.35Å; I422-H424 PolarHBondContact O-N 3.21Å
425	S	92.4	Very high	88.4	Confident	31 Å²	31	105.4 Å²	105.4	22%	0.217	54%	0.541	C	S	.	.	S	Bend	trans	-87.7	158.3	173.7	69.9	0	0	0	0	111.3	R421 I422 S429	R421-S425 WeakPolarHBondContact O-CB 3.49Å; R421-S425 PolarHBondContact O-N 3.19Å; R421-S425 PolarHBondContact O-OG 3.36Å; R421-S425 VanDerWaalsContact O-OG 3.13Å; I422-S425 PolarHBondContact O-N 2.77Å; I422-S425 PolarHBondContact O-OG 3.17Å; S425-S429 VanDerWaalsContact CB-OG 3.26Å; S425-S429 WeakPolarHBondContact CB-OG 3.45Å; S425-S429 PolarHBondContact OG-OG 3.17Å
426	K	91.9	Very high	88.1	Confident	174 Å²	174	101.4 Å²	101.4	76%	0.757	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-57.7	137.9	173.1	-67.9	-177.2	-179.4	-179.4	0	109.5	G428 S429	K426-G428 PolarHBondContact O-N 2.96Å; K426-S429 PolarHBondContact N-OG 3.39Å; K426-S429 VanDerWaalsContact O-CB 3.31Å; K426-S429 WeakPolarHBondContact O-CB 3.44Å; K426-S429 PolarHBondContact O-N 3.24Å; K426-S429 PolarHBondContact O-OG 3.23Å
427	P	85.6	Confident	87.7	Confident	138 Å²	138	98.7 Å²	98.7	90%	0.896	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	125.9	177.3	-27.5	34.8	0	0	0	111.3
428	G	82.1	Confident	87.3	Confident	81 Å²	81	94.2 Å²	94.2	84%	0.835	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.4	-9.6	179.3	0	0	0	0	0	116.6	K426	K426-G428 PolarHBondContact O-N 2.96Å
429	S	87.2	Confident	87	Confident	70 Å²	70	93 Å²	93	49%	0.49	50%	0.496	S	S	.	.	S	Bend	trans	-72.8	-28.2	-179.1	63.6	0	0	0	0	114.5	S425 K426	S425-S429 VanDerWaalsContact CB-OG 3.26Å; S425-S429 WeakPolarHBondContact CB-OG 3.45Å; S425-S429 PolarHBondContact OG-OG 3.17Å; K426-S429 PolarHBondContact N-OG 3.39Å; K426-S429 VanDerWaalsContact O-CB 3.31Å; K426-S429 WeakPolarHBondContact O-CB 3.44Å; K426-S429 PolarHBondContact O-N 3.24Å; K426-S429 PolarHBondContact O-OG 3.23Å
430	V	86	Confident	86.9	Confident	31 Å²	31	91.5 Å²	91.5	19%	0.188	49%	0.486	C	S	.	.	S	Bend	trans	-117.7	111.6	178.7	-178.5	0	0	0	0	109	R421 I422	R421-V430 HydrophobicContact CG-CG2 4.41Å; I422-V430 HydrophobicContact CG1-CB 4.26Å; I422-V430 HydrophobicContact CG1-CG1 3.86Å
431	P	83.1	Confident	86.5	Confident	100 Å²	100	92 Å²	92	65%	0.649	49%	0.491	S	S	*	.			trans	-71.9	140.9	-179.2	28.2	-33.5	0	0	0	111.5	V433	P431-V433 HydrophobicContact CB-CG2 4.49Å; P431-V433 HydrophobicContact CG-CG2 4.4Å; P431-V433 PolarHBondContact O-N 2.79Å
432	I	81.9	Confident	86.3	Confident	145 Å²	145	86.8 Å²	86.8	74%	0.744	48%	0.48	S	S	*	.			trans	-82.1	97.6	171.4	-59.6	172.1	0	0	0	107.6	I422	I422-I432 HydrophobicContact CD1-CG1 4.28Å
433	V	83.8	Confident	86.1	Confident	65 Å²	65	85.7 Å²	85.7	39%	0.394	48%	0.476	S	S	.	.			trans	-87.1	130.2	176.4	-173.4	0	0	0	0	109.4	P431 K437 K438	P431-V433 HydrophobicContact CB-CG2 4.49Å; P431-V433 HydrophobicContact CG-CG2 4.4Å; P431-V433 PolarHBondContact O-N 2.79Å; V433-K437 HydrophobicContact CG1-CB 3.62Å; V433-K438 HydrophobicContact CB-CG 4.11Å; V433-K438 HydrophobicContact CG1-CG 3.87Å; V433-K438 WeakPolarHBondContact O-CE 3.36Å
434	S	84.7	Confident	85.8	Confident	62 Å²	62	81.1 Å²	81.1	43%	0.434	46%	0.461	S	S	.	.			trans	-62.9	144.6	175	65.5	0	0	0	0	110.7	K436 K437 K438	S434-K436 PolarHBondContact O-N 2.97Å; S434-K437 PolarHBondContact O-N 2.67Å; S434-K438 WeakPolarHBondContact O-CG 3.18Å; S434-K438 PolarHBondContact O-N 3.41Å; S434-K438 VanDerWaalsContact O-N 3.15Å
435	E	80.9	Confident	85.1	Confident	95 Å²	95	82.2 Å²	82.2	44%	0.444	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-30.1	-179.5	-69	-169.7	162.7	0	0	112.8
436	K	83.9	Confident	84.7	Confident	87 Å²	87	84.8 Å²	84.8	38%	0.378	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-38.2	175.9	-63.5	-169.1	178.6	-173	0	113	P274 V275 V277 S434	P274-K436 WeakPolarHBondContact CD-O 3.47Å; P274-K436 HydrophobicContact CG-CB 3.96Å; P274-K436 WeakPolarHBondContact CG-O 3.34Å; V275-K436 PolarHBondContact O-NZ 3.47Å; V277-K436 HydrophobicContact CG2-CB 4.5Å; V277-K436 HydrophobicContact CG2-CG 4.21Å; S434-K436 PolarHBondContact O-N 2.97Å
437	K	85.8	Confident	84.3	Confident	106 Å²	106	80.1 Å²	80.1	46%	0.461	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-22.8	-179.9	-78.8	-172.7	174.1	-170.8	0	113.3	T273 V433 S434 H439 I440	T273-K437 HydrophobicContact CG2-CD 3.94Å; T273-K437 HydrophobicContact CG2-CG 3.56Å; V433-K437 HydrophobicContact CG1-CB 3.62Å; S434-K437 PolarHBondContact O-N 2.67Å; K437-H439 PolarHBondContact O-N 2.85Å; K437-H439 VanDerWaalsContact O-N 3.09Å; K437-I440 PolarHBondContact O-N 2.98Å
438	K	84.8	Confident	84.2	Confident	71 Å²	71	76.8 Å²	76.8	31%	0.309	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-29.8	-172.8	-78.3	-172.3	177.6	-166.4	0	114	E418 V433 S434	E418-K438 IonicContact OE1-NZ 3.12Å; E418-K438 PolarHBondContact OE1-NZ 3.39Å; E418-K438 IonicContact OE2-NZ 3.96Å; E418-K438 PolarHBondContact OE2-NZ 3.42Å; V433-K438 HydrophobicContact CB-CG 4.11Å; V433-K438 HydrophobicContact CG1-CG 3.87Å; V433-K438 WeakPolarHBondContact O-CE 3.36Å; S434-K438 WeakPolarHBondContact O-CG 3.18Å; S434-K438 PolarHBondContact O-N 3.41Å; S434-K438 VanDerWaalsContact O-N 3.15Å
439	H	85	Confident	84.4	Confident	41 Å²	41	76.6 Å²	76.6	19%	0.19	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-0.6	-172.6	-61	-57.7	0	0	0	114.6	L237 D238 Y264 K437	L237-H439 WeakPolarHBondContact CA-O 3.4Å; D238-H439 PolarHBondContact N-O 3.43Å; D238-H439 VanDerWaalsContact N-O 3.1Å; D238-H439 WeakPolarHBondContact OD2-CA 3.33Å; D238-H439 IonicContact OD2-CG 2.68Å; D238-H439 IonicContact OD2-ND1 3.54Å; D238-H439 PolarHBondContact OD2-ND1 2.82Å; Y264-H439 HydrophobicContact CE1-CB 3.96Å; Y264-H439 AromaticContact CE1-CD2 3.99Å; Y264-H439 AromaticContact CZ-CD2 3.99Å; Y264-H439 AromaticContact CZ-CG 3.98Å; Y264-H439 WeakPolarHBondContact OH-CB 3.39Å; Y264-H439 PolarHBondContact OH-CD2 3.35Å; K437-H439 PolarHBondContact O-N 2.85Å; K437-H439 VanDerWaalsContact O-N 3.09Å
440	I	87.4	Confident	84.2	Confident	26 Å²	26	77 Å²	77	13%	0.133	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	121	175.4	-61.5	169.2	0	0	0	107.9	V235 L237 F266 D272 K437 V443	V235-I440 HydrophobicContact CG1-CG2 4.25Å; L237-I440 HydrophobicContact CD2-CG1 3.85Å; F266-I440 HydrophobicContact CE1-CD1 3.9Å; F266-I440 HydrophobicContact CE1-CG1 4.47Å; F266-I440 HydrophobicContact CZ-CD1 4.39Å; F266-I440 HydrophobicContact CZ-CG1 4.5Å; D272-I440 VanDerWaalsContact O-CD1 3.25Å; D272-I440 WeakPolarHBondContact O-CD1 3.49Å; K437-I440 PolarHBondContact O-N 2.98Å; I440-V443 HydrophobicContact CG2-CG2 4.17Å
441	V	86.5	Confident	84.1	Confident	83 Å²	83	80.1 Å²	80.1	50%	0.503	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-50.8	177.8	179.6	0	0	0	0	110.1	I236 D238	I236-V441 HydrophobicContact CB-CB 4.31Å; I236-V441 HydrophobicContact CG2-CB 4.1Å; I236-V441 HydrophobicContact CG2-CG1 4.5Å; I236-V441 PolarHBondContact O-N 3.32Å; D238-V441 WeakPolarHBondContact OD1-CG2 3.42Å
442	A	86.7	Confident	84.1	Confident	39 Å²	39	78.6 Å²	78.6	32%	0.322	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	153.9	-179.2	0	0	0	0	0	112	I236	I236-A442 HydrophobicContact CD1-CB 4.33Å; I236-A442 HydrophobicContact CG1-CB 4.46Å; I236-A442 PolarHBondContact N-O 3.39Å; I236-A442 PolarHBondContact O-N 2.89Å
443	V	85.3	Confident	84.3	Confident	37 Å²	37	73.5 Å²	73.5	22%	0.224	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	124.3	168.1	179.4	0	0	0	0	107.4	K234 V235 L271 D272 I440	K234-V443 WeakPolarHBondContact O-CA 3.34Å; V235-V443 HydrophobicContact CG1-CG2 4.29Å; V235-V443 HydrophobicContact CG2-CG2 4.41Å; L271-V443 HydrophobicContact CB-CG1 4.06Å; L271-V443 HydrophobicContact CB-CG2 4.17Å; D272-V443 WeakPolarHBondContact OD1-CG2 3.4Å; I440-V443 HydrophobicContact CG2-CG2 4.17Å
444	V	84.4	Confident	84.4	Confident	57 Å²	57	74.3 Å²	74.3	35%	0.345	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	122.1	173.7	-177.1	0	0	0	0	107.3	K234	K234-V444 HydrophobicContact CD-CB 4.14Å; K234-V444 HydrophobicContact CD-CG2 4.38Å; K234-V444 HydrophobicContact CG-CB 3.61Å; K234-V444 HydrophobicContact CG-CG1 4.46Å; K234-V444 HydrophobicContact CG-CG2 4.19Å; K234-V444 PolarHBondContact N-O 3.32Å; K234-V444 PolarHBondContact O-N 3.1Å
445	K	77	Confident	84.3	Confident	187 Å²	187	75.4 Å²	75.4	81%	0.813	38%	0.375	S	S	*	.			trans	-86.2	0	-178.3	-70.8	-177.1	-178.7	175.6	0	111.9	L232	L232-K445 VanDerWaalsContact O-OXT 3.09Å

Retrieved 445 of 445 residues in 515.8 ms (Link to these results)

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