A0A087YNG5_POEFO Loading...

DDB1- and CUL4-associated factor 13

AlphaFold DB , UniProt , Accession A0A087YNG5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 445 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	68.9	Low	84.1	Confident	223 Å²	223	140.2 Å²	140.2	100%	1.099	71%	0.713	S	S	*	*				0	116.6	0	-169.1	-173.6	-70.4	0	0	107.8	V3	M1-V3 HydrophobicContact CG-CG2 4.13Å; M1-V3 HydrophobicContact SD-CG2 4.09Å
2	K	71.6	Confident	83.9	Confident	218 Å²	218	136.8 Å²	136.8	95%	0.948	70%	0.698	S	S	*	*			trans	-91.1	100.7	176.6	-70.6	-176.4	-178.6	179	0	108.2
3	V	82.1	Confident	83.8	Confident	117 Å²	117	134.5 Å²	134.5	71%	0.709	68%	0.676	S	S	*	*			trans	-88.9	121.6	175.4	-176.6	0	0	0	0	108	M1 V5	M1-V3 HydrophobicContact CG-CG2 4.13Å; M1-V3 HydrophobicContact SD-CG2 4.09Å; V3-V5 HydrophobicContact CG1-CG2 4.2Å
4	K	87.7	Confident	83.7	Confident	205 Å²	205	130.9 Å²	130.9	89%	0.891	66%	0.664	S	S	*	*			trans	-122.2	128.3	173.9	-172.4	176.6	-178.9	179.1	0	108.7
5	V	90.6	Very high	83.7	Confident	117 Å²	117	129.8 Å²	129.8	71%	0.709	65%	0.649	S	S	*	*			trans	-117.8	153.2	-179.5	-174.3	0	0	0	0	109	V3 S7	V3-V5 HydrophobicContact CG1-CG2 4.2Å; V5-S7 PolarHBondContact O-N 3.29Å; V5-S7 VanDerWaalsContact O-N 3.11Å
6	L	90.4	Very high	83.6	Confident	136 Å²	136	131.6 Å²	131.6	71%	0.712	66%	0.655	S	S	*	*			trans	-69	102.6	174.4	-171.7	87.4	0	0	0	109.9	R8	L6-R8 HydrophobicContact CD2-CG 4.29Å
7	S	89	Confident	83.7	Confident	112 Å²	112	128.1 Å²	128.1	78%	0.783	64%	0.642	S	S	*	*			trans	-94.2	126.7	168.1	58.5	0	0	0	0	109.7	V5	V5-S7 PolarHBondContact O-N 3.29Å; V5-S7 VanDerWaalsContact O-N 3.11Å
8	R	88.3	Confident	83.7	Confident	189 Å²	189	132.1 Å²	132.1	71%	0.713	66%	0.655	S	S	*	*			trans	-106.6	115.8	171.9	-64.4	-176	178.9	170.6	1.4	108.2	L6 Y13	L6-R8 HydrophobicContact CD2-CG 4.29Å; R8-Y13 HydrophobicContact CB-CE1 3.9Å
9	N	88.1	Confident	83.8	Confident	72 Å²	72	134.7 Å²	134.7	39%	0.385	67%	0.665	S	S	.	*			trans	-81.4	122.8	176.6	-173.2	9.2	0	0	0	109.5	D11 D12 Y13	N9-D11 PolarHBondContact ND2-OD2 2.79Å; N9-D11 VanDerWaalsContact ND2-OD2 3.17Å; N9-D11 PolarHBondContact O-N 2.58Å; N9-D11 VanDerWaalsContact O-N 3.15Å; N9-D11 PolarHBondContact OD1-N 2.69Å; N9-D11 PolarHBondContact OD1-OD2 3.2Å; N9-D12 WeakPolarHBondContact O-CB 3.37Å; N9-D12 PolarHBondContact O-N 2.89Å; N9-Y13 VanDerWaalsContact C-CE1 3.47Å; N9-Y13 VanDerWaalsContact O-CD1 3.23Å; N9-Y13 WeakPolarHBondContact O-CD1 3.38Å; N9-Y13 WeakPolarHBondContact O-CE1 3.35Å
10	P	84.9	Confident	83.9	Confident	62 Å²	62	131.4 Å²	131.4	40%	0.403	65%	0.649	S	S	.	*	G	3₁₀ helix	trans	-50.8	-33.7	175.7	18.6	-33.2	0	0	0	114.1	D12 Y13 V14	P10-D12 PolarHBondContact O-N 2.77Å; P10-D12 VanDerWaalsContact O-N 3.13Å; P10-Y13 VanDerWaalsContact CA-CZ 3.46Å; P10-Y13 PolarHBondContact O-N 3.04Å; P10-Y13 VanDerWaalsContact O-N 3.13Å; P10-V14 HydrophobicContact CB-CG2 4.1Å; P10-V14 VanDerWaalsContact O-CB 3.26Å; P10-V14 WeakPolarHBondContact O-CB 3.38Å; P10-V14 WeakPolarHBondContact O-CG2 3.26Å; P10-V14 PolarHBondContact O-N 3.05Å
11	D	83.3	Confident	83.9	Confident	91 Å²	91	132.5 Å²	132.5	49%	0.487	66%	0.656	S	S	.	*	G	3₁₀ helix	trans	-63	-21.3	179.6	-50.9	-28.3	0	0	0	112.9	N9	N9-D11 PolarHBondContact ND2-OD2 2.79Å; N9-D11 VanDerWaalsContact ND2-OD2 3.17Å; N9-D11 PolarHBondContact O-N 2.58Å; N9-D11 VanDerWaalsContact O-N 3.15Å; N9-D11 PolarHBondContact OD1-N 2.69Å; N9-D11 PolarHBondContact OD1-OD2 3.2Å
12	D	82.1	Confident	84.7	Confident	100 Å²	100	127.2 Å²	127.2	54%	0.535	63%	0.629	S	S	.	*	G	3₁₀ helix	trans	-76.6	-23.4	179.9	-65.9	-29.4	0	0	0	112.7	N9 P10 R23	N9-D12 WeakPolarHBondContact O-CB 3.37Å; N9-D12 PolarHBondContact O-N 2.89Å; P10-D12 PolarHBondContact O-N 2.77Å; P10-D12 VanDerWaalsContact O-N 3.13Å; D12-R23 WeakPolarHBondContact O-CD 3.43Å
13	Y	82.3	Confident	85.4	Confident	106 Å²	106	124.2 Å²	124.2	42%	0.416	61%	0.612	S	S	.	*	T	Hydrogen-bonded Turn	trans	-132.9	-16.8	-172.2	54.8	-94.5	0	0	0	115.7	R8 N9 P10	R8-Y13 HydrophobicContact CB-CE1 3.9Å; N9-Y13 VanDerWaalsContact C-CE1 3.47Å; N9-Y13 VanDerWaalsContact O-CD1 3.23Å; N9-Y13 WeakPolarHBondContact O-CD1 3.38Å; N9-Y13 WeakPolarHBondContact O-CE1 3.35Å; P10-Y13 VanDerWaalsContact CA-CZ 3.46Å; P10-Y13 PolarHBondContact O-N 3.04Å; P10-Y13 VanDerWaalsContact O-N 3.13Å
14	V	83.4	Confident	85.7	Confident	84 Å²	84	123.6 Å²	123.6	51%	0.509	61%	0.608	S	S	.	*	S	Bend	trans	-87.1	146.2	173.6	-177.1	0	0	0	0	109.1	P10	P10-V14 HydrophobicContact CB-CG2 4.1Å; P10-V14 VanDerWaalsContact O-CB 3.26Å; P10-V14 WeakPolarHBondContact O-CB 3.38Å; P10-V14 WeakPolarHBondContact O-CG2 3.26Å; P10-V14 PolarHBondContact O-N 3.05Å
15	R	83.3	Confident	85.8	Confident	115 Å²	115	119.5 Å²	119.5	43%	0.434	60%	0.603	S	S	.	*			trans	-82.8	133.8	175.6	-56.5	-179.1	-165.3	-168.8	15.6	108.9	D20	R15-D20 HydrophobicContact CB-CB 4.29Å; R15-D20 WeakPolarHBondContact CD-O 3.41Å; R15-D20 PolarHBondContact NH1-O 2.89Å
16	E	82.7	Confident	85.9	Confident	159 Å²	159	122.5 Å²	122.5	74%	0.743	60%	0.601	S	S	*	*	S	Bend	trans	-75.5	-40.8	174.9	-66.7	178	-171.9	0	0	110.8
17	T	84.9	Confident	86.1	Confident	72 Å²	72	119.8 Å²	119.8	44%	0.442	59%	0.587	S	S	.	*	S	Bend	trans	-123.8	161.8	177.7	76	0	0	0	0	112.6	H19 D20	T17-H19 PolarHBondContact O-N 3.02Å; T17-H19 PolarHBondContact OG1-N 3.2Å; T17-D20 WeakPolarHBondContact CB-OD2 3.48Å; T17-D20 PolarHBondContact N-OD2 3.06Å; T17-D20 PolarHBondContact O-N 3.05Å; T17-D20 PolarHBondContact OG1-N 3.04Å; T17-D20 PolarHBondContact OG1-OD1 2.82Å; T17-D20 PolarHBondContact OG1-OD2 2.89Å
18	K	83.5	Confident	86.4	Confident	200 Å²	200	122 Å²	122	87%	0.87	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-21.8	176	-68.6	-178.2	-178.5	176.1	0	113.1
19	H	85.4	Confident	86.7	Confident	182 Å²	182	116.9 Å²	116.9	84%	0.843	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-11.9	-179.6	-62.7	-59	0	0	0	113	T17	T17-H19 PolarHBondContact O-N 3.02Å; T17-H19 PolarHBondContact OG1-N 3.2Å
20	D	86.5	Confident	87	Confident	67 Å²	67	118.5 Å²	118.5	36%	0.358	58%	0.58	S	S	.	*	S	Bend	trans	-74.3	146.2	-179.8	-63.6	-37.8	0	0	0	112.6	R15 T17	R15-D20 HydrophobicContact CB-CB 4.29Å; R15-D20 WeakPolarHBondContact CD-O 3.41Å; R15-D20 PolarHBondContact NH1-O 2.89Å; T17-D20 WeakPolarHBondContact CB-OD2 3.48Å; T17-D20 PolarHBondContact N-OD2 3.06Å; T17-D20 PolarHBondContact O-N 3.05Å; T17-D20 PolarHBondContact OG1-N 3.04Å; T17-D20 PolarHBondContact OG1-OD1 2.82Å; T17-D20 PolarHBondContact OG1-OD2 2.89Å
21	I	84	Confident	87.5	Confident	155 Å²	155	120.4 Å²	120.4	80%	0.795	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-74.3	134.4	174.9	-58.4	171.3	0	0	0	108.6	R23	I21-R23 PolarHBondContact O-N 2.83Å
22	Q	85.2	Confident	88.1	Confident	112 Å²	112	121 Å²	121	52%	0.523	60%	0.598	S	S	.	*	P	Polyproline II helix	trans	-64.3	122.1	173.4	-159.5	162.6	-13.4	0	0	110.8	V24	Q22-V24 HydrophobicContact CG-CG2 4.35Å; Q22-V24 PolarHBondContact O-N 2.55Å
23	R	86	Confident	88.7	Confident	155 Å²	155	120 Å²	120	59%	0.585	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-72.9	121	169.1	-62.9	177.5	-176.7	175.7	5.7	108.4	D12 I21	D12-R23 WeakPolarHBondContact O-CD 3.43Å; I21-R23 PolarHBondContact O-N 2.83Å
24	V	88.3	Confident	89.3	Confident	105 Å²	105	118.5 Å²	118.5	64%	0.636	59%	0.593	S	S	*	*			trans	-117.2	96.4	177.8	-177.5	0	0	0	0	108	Q22	Q22-V24 HydrophobicContact CG-CG2 4.35Å; Q22-V24 PolarHBondContact O-N 2.55Å
25	P	90.1	Very high	89.8	Confident	119 Å²	119	121.6 Å²	121.6	77%	0.773	60%	0.6	S	S	*	*			trans	-65.7	139.5	176.4	27.3	-33.3	0	0	0	110
26	R	92	Very high	90.4	Very high	179 Å²	179	122.5 Å²	122.5	68%	0.675	61%	0.609	S	S	*	*			trans	-122.7	126.6	-178.7	-59.9	-178.6	73.3	-176.5	0.5	109.6	Y28	R26-Y28 HydrophobicContact CB-CE1 4.49Å; R26-Y28 HydrophobicContact CB-CE2 4.41Å
27	N	95.1	Very high	91	Very high	79 Å²	79	118.6 Å²	118.6	42%	0.422	60%	0.596	S	S	.	*			trans	-108.3	131.9	164.9	-173.4	-5.9	0	0	0	108.4	D29 L32 H33	N27-D29 PolarHBondContact ND2-OD2 3.49Å; N27-D29 PolarHBondContact OD1-N 3.41Å; N27-D29 PolarHBondContact OD1-OD2 3.02Å; N27-L32 HydrophobicContact CB-CD1 3.75Å; N27-L32 WeakPolarHBondContact ND2-CD1 3.32Å; N27-H33 PolarHBondContact O-NE2 3.43Å
28	Y	94.8	Very high	91.5	Very high	160 Å²	160	118.4 Å²	118.4	63%	0.627	60%	0.598	S	S	*	*			trans	-98	5	-176.8	-61.1	-72	0	0	0	113.7	R26 P30	R26-Y28 HydrophobicContact CB-CE1 4.49Å; R26-Y28 HydrophobicContact CB-CE2 4.41Å; Y28-P30 WeakPolarHBondContact O-CD 3.5Å
29	D	95.6	Very high	92.2	Very high	81 Å²	81	113.2 Å²	113.2	43%	0.433	57%	0.573	S	S	.	*			trans	-55.1	123.4	176.9	-70.6	-28.5	0	0	0	111.7	N27 S31 L32 H33	N27-D29 PolarHBondContact ND2-OD2 3.49Å; N27-D29 PolarHBondContact OD1-N 3.41Å; N27-D29 PolarHBondContact OD1-OD2 3.02Å; D29-S31 PolarHBondContact O-N 3.07Å; D29-S31 VanDerWaalsContact O-N 3.14Å; D29-L32 HydrophobicContact CB-CD1 4.23Å; D29-L32 HydrophobicContact CB-CG 4.28Å; D29-L32 PolarHBondContact O-N 3.04Å; D29-H33 PolarHBondContact O-CD2 2.86Å
30	P	94.6	Very high	92.7	Very high	105 Å²	105	106.7 Å²	106.7	68%	0.682	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-59.1	-27.9	-177.8	-27.5	35.4	0	0	0	114.1	Y28 L32 H33	Y28-P30 WeakPolarHBondContact O-CD 3.5Å; P30-L32 VanDerWaalsContact C-N 3.28Å; P30-L32 PolarHBondContact O-N 2.82Å; P30-H33 CarbonylContact O-C 3.45Å; P30-H33 VanDerWaalsContact O-C 3.25Å; P30-H33 PolarHBondContact O-N 3.47Å
31	S	95.5	Very high	93.2	Very high	103 Å²	103	105.7 Å²	105.7	72%	0.72	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-62.8	-32.7	176.8	57.4	0	0	0	0	113.1	D29 H33	D29-S31 PolarHBondContact O-N 3.07Å; D29-S31 VanDerWaalsContact O-N 3.14Å; S31-H33 VanDerWaalsContact C-N 3.25Å; S31-H33 PolarHBondContact O-N 3.33Å
32	L	95.3	Very high	93.9	Very high	102 Å²	102	101.5 Å²	101.5	53%	0.534	52%	0.516	S	S	.	.	G	3₁₀ helix	trans	-77.9	-13.8	175.4	-62.7	177.2	0	0	0	112.5	N27 D29 P30 P34	N27-L32 HydrophobicContact CB-CD1 3.75Å; N27-L32 WeakPolarHBondContact ND2-CD1 3.32Å; D29-L32 HydrophobicContact CB-CD1 4.23Å; D29-L32 HydrophobicContact CB-CG 4.28Å; D29-L32 PolarHBondContact O-N 3.04Å; P30-L32 VanDerWaalsContact C-N 3.28Å; P30-L32 PolarHBondContact O-N 2.82Å; L32-P34 VanDerWaalsContact C-CD 3.4Å; L32-P34 WeakPolarHBondContact O-CD 3.06Å
33	H	94.2	Very high	94.5	Very high	81 Å²	81	102 Å²	102	38%	0.375	51%	0.513	S	S	.	.	S	Bend	trans	-125	60.7	-173.9	-65.5	-66.1	0	0	0	111.6	N27 D29 P30 S31 R39	N27-H33 PolarHBondContact O-NE2 3.43Å; D29-H33 PolarHBondContact O-CD2 2.86Å; P30-H33 CarbonylContact O-C 3.45Å; P30-H33 VanDerWaalsContact O-C 3.25Å; P30-H33 PolarHBondContact O-N 3.47Å; S31-H33 VanDerWaalsContact C-N 3.25Å; S31-H33 PolarHBondContact O-N 3.33Å; H33-R39 VanDerWaalsContact C-NH2 3.26Å; H33-R39 PolarHBondContact O-NH2 2.65Å
34	P	94.4	Very high	95.1	Very high	73 Å²	73	94.7 Å²	94.7	47%	0.474	49%	0.485	S	S	.	.			trans	-63.2	163.1	179.2	28.8	-35.9	0	0	0	112.3	L32 R39	L32-P34 VanDerWaalsContact C-CD 3.4Å; L32-P34 WeakPolarHBondContact O-CD 3.06Å; P34-R39 PolarHBondContact O-NE 3.16Å; P34-R39 PolarHBondContact O-NH2 2.81Å
35	F	95.3	Very high	95.5	Very high	150 Å²	150	90.5 Å²	90.5	66%	0.658	46%	0.459	S	S	*	.			trans	58.6	46.1	177.7	-50.3	-74	0	0	0	114.8	V37 R39	F35-V37 PolarHBondContact O-N 3.47Å; F35-R39 WeakPolarHBondContact O-CB 3.07Å; F35-R39 VanDerWaalsContact O-CG 3.3Å; F35-R39 WeakPolarHBondContact O-CG 3.28Å; F35-R39 PolarHBondContact O-N 2.74Å; F35-R39 PolarHBondContact O-NE 3.4Å
36	E	94.3	Very high	95.9	Very high	133 Å²	133	88.9 Å²	88.9	62%	0.621	44%	0.444	S	S	*	.	H	α-helix	trans	-54.3	-51.8	177	61.7	174.5	-163.6	0	0	112	S38 R39 E40	E36-S38 PolarHBondContact O-N 3.47Å; E36-R39 PolarHBondContact O-N 3.06Å; E36-E40 WeakPolarHBondContact O-CG 3.21Å; E36-E40 PolarHBondContact O-N 3.19Å
37	V	95.6	Very high	96.1	Very high	78 Å²	78	81.1 Å²	81.1	47%	0.473	42%	0.418	S	S	.	.	H	α-helix	trans	-67.8	-43.6	-173.7	-176.8	0	0	0	0	110.9	F35 R39 E40 Y41 F381	F35-V37 PolarHBondContact O-N 3.47Å; V37-R39 PolarHBondContact O-N 3.04Å; V37-E40 PolarHBondContact O-N 2.86Å; V37-Y41 VanDerWaalsContact O-CB 3.3Å; V37-Y41 WeakPolarHBondContact O-CB 3.17Å; V37-Y41 PolarHBondContact O-N 3.5Å; V37-F381 HydrophobicContact CG1-CE1 4.24Å; V37-F381 HydrophobicContact CG1-CZ 4.18Å
38	S	96.6	Very high	96.2	Very high	68 Å²	68	77.4 Å²	77.4	48%	0.476	40%	0.398	S	S	.	.	H	α-helix	trans	-65.9	-38.1	179.5	-49.1	0	0	0	0	112.1	E36 Y41 T42	E36-S38 PolarHBondContact O-N 3.47Å; S38-Y41 PolarHBondContact O-N 2.84Å; S38-T42 WeakPolarHBondContact O-CG2 3.4Å; S38-T42 PolarHBondContact O-N 3.45Å; S38-T42 PolarHBondContact O-OG1 2.79Å
39	R	96.7	Very high	96.3	Very high	90 Å²	90	74.6 Å²	74.6	34%	0.34	39%	0.39	S	S	.	.	H	α-helix	trans	-67.3	-41	173.8	-74.5	-175.4	-65.4	161.9	3.8	111.6	H33 P34 F35 E36 V37 T42 R43	H33-R39 VanDerWaalsContact C-NH2 3.26Å; H33-R39 PolarHBondContact O-NH2 2.65Å; P34-R39 PolarHBondContact O-NE 3.16Å; P34-R39 PolarHBondContact O-NH2 2.81Å; F35-R39 WeakPolarHBondContact O-CB 3.07Å; F35-R39 VanDerWaalsContact O-CG 3.3Å; F35-R39 WeakPolarHBondContact O-CG 3.28Å; F35-R39 PolarHBondContact O-N 2.74Å; F35-R39 PolarHBondContact O-NE 3.4Å; E36-R39 PolarHBondContact O-N 3.06Å; V37-R39 PolarHBondContact O-N 3.04Å; R39-T42 WeakPolarHBondContact CA-OG1 3.43Å; R39-T42 PolarHBondContact O-OG1 3.14Å; R39-R43 WeakPolarHBondContact O-CB 3.41Å; R39-R43 WeakPolarHBondContact O-CD 3.22Å; R39-R43 WeakPolarHBondContact O-CG 3.36Å; R39-R43 PolarHBondContact O-N 2.91Å
40	E	96.8	Very high	96.3	Very high	46 Å²	46	75.2 Å²	75.2	22%	0.215	39%	0.392	C	S	.	.	H	α-helix	trans	-65.3	-41.7	174.5	-74	-170.2	161.7	0	0	112.4	E36 V37 R43 A44 L377 K380 F381	E36-E40 WeakPolarHBondContact O-CG 3.21Å; E36-E40 PolarHBondContact O-N 3.19Å; V37-E40 PolarHBondContact O-N 2.86Å; E40-R43 WeakPolarHBondContact O-CB 3.13Å; E40-R43 PolarHBondContact O-N 2.88Å; E40-A44 WeakPolarHBondContact O-CB 3.38Å; E40-A44 PolarHBondContact O-N 2.88Å; E40-L377 HydrophobicContact CB-CD2 3.79Å; E40-L377 HydrophobicContact CG-CD2 3.94Å; E40-K380 IonicContact OE2-NZ 2.92Å; E40-K380 PolarHBondContact OE2-NZ 3.46Å; E40-F381 HydrophobicContact CB-CE2 3.79Å; E40-F381 HydrophobicContact CB-CZ 4.06Å
41	Y	97.8	Very high	96.4	Very high	45 Å²	45	72.7 Å²	72.7	18%	0.176	37%	0.371	C	S	.	.	H	α-helix	trans	-60.2	-49.6	176.7	170.8	-104.8	0	0	0	111.6	V37 S38 R43 A44 L45 F381 H384 Q386 I387	V37-Y41 VanDerWaalsContact O-CB 3.3Å; V37-Y41 WeakPolarHBondContact O-CB 3.17Å; V37-Y41 PolarHBondContact O-N 3.5Å; S38-Y41 PolarHBondContact O-N 2.84Å; Y41-R43 VanDerWaalsContact C-N 3.3Å; Y41-R43 PolarHBondContact O-N 3.08Å; Y41-A44 WeakPolarHBondContact O-CB 3.1Å; Y41-A44 PolarHBondContact O-N 3.04Å; Y41-L45 HydrophobicContact CE1-CD2 4.38Å; Y41-L45 WeakPolarHBondContact O-CB 3.49Å; Y41-L45 PolarHBondContact O-N 3.25Å; Y41-F381 HydrophobicContact CD2-CD1 4.12Å; Y41-F381 HydrophobicContact CD2-CE1 4.46Å; Y41-H384 HydrophobicContact CE2-CB 4.38Å; Y41-H384 AromaticContact CE2-CD2 3.95Å; Y41-H384 AromaticContact CE2-CE1 3.56Å; Y41-H384 AromaticContact CE2-CG 3.66Å; Y41-H384 AromaticContact CE2-ND1 3.41Å; Y41-H384 WeakPolarHBondContact CE2-ND1 3.3Å; Y41-H384 AromaticContact CE2-NE2 3.9Å; Y41-H384 AromaticContact CZ-CE1 3.56Å; Y41-H384 AromaticContact CZ-ND1 3.76Å; Y41-H384 PolarHBondContact OH-CE1 3.11Å; Y41-H384 PolarHBondContact OH-ND1 2.88Å; Y41-Q386 PolarHBondContact OH-OE1 3.39Å; Y41-I387 HydrophobicContact CD2-CD1 3.88Å; Y41-I387 HydrophobicContact CE2-CD1 3.59Å; Y41-I387 HydrophobicContact CE2-CG1 4.13Å
42	T	97.7	Very high	96.3	Very high	67 Å²	67	70.5 Å²	70.5	41%	0.411	35%	0.347	S	S	.	.	H	α-helix	trans	-62.3	-38.1	177.8	49.2	0	0	0	0	111.9	S38 R39 L45 N46	S38-T42 WeakPolarHBondContact O-CG2 3.4Å; S38-T42 PolarHBondContact O-N 3.45Å; S38-T42 PolarHBondContact O-OG1 2.79Å; R39-T42 WeakPolarHBondContact CA-OG1 3.43Å; R39-T42 PolarHBondContact O-OG1 3.14Å; T42-L45 PolarHBondContact O-N 2.89Å; T42-N46 WeakPolarHBondContact O-CB 2.96Å; T42-N46 PolarHBondContact O-N 2.98Å; T42-N46 PolarHBondContact O-ND2 2.92Å
43	R	97.8	Very high	96.3	Very high	124 Å²	124	70.5 Å²	70.5	47%	0.468	35%	0.351	S	S	.	.	H	α-helix	trans	-63.1	-44.1	172.1	-72.8	168.9	179.2	-176.8	3.3	112.1	R39 E40 Y41 N46 A47 Y373 L377	R39-R43 WeakPolarHBondContact O-CB 3.41Å; R39-R43 WeakPolarHBondContact O-CD 3.22Å; R39-R43 WeakPolarHBondContact O-CG 3.36Å; R39-R43 PolarHBondContact O-N 2.91Å; E40-R43 WeakPolarHBondContact O-CB 3.13Å; E40-R43 PolarHBondContact O-N 2.88Å; Y41-R43 VanDerWaalsContact C-N 3.3Å; Y41-R43 PolarHBondContact O-N 3.08Å; R43-N46 PolarHBondContact O-N 3.05Å; R43-A47 VanDerWaalsContact O-CB 3.3Å; R43-A47 WeakPolarHBondContact O-CB 3.43Å; R43-A47 PolarHBondContact O-N 2.81Å; R43-Y373 PolarHBondContact NH1-OH 3.36Å; R43-L377 HydrophobicContact CB-CD1 3.65Å
44	A	97.9	Very high	96.4	Very high	0 Å²	0	72.5 Å²	72.5	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-62.7	-44.2	176.4	0	0	0	0	0	111.4	E40 Y41 A47 T48 L377 F381 I387	E40-A44 WeakPolarHBondContact O-CB 3.38Å; E40-A44 PolarHBondContact O-N 2.88Å; Y41-A44 WeakPolarHBondContact O-CB 3.1Å; Y41-A44 PolarHBondContact O-N 3.04Å; A44-A47 PolarHBondContact O-N 2.74Å; A44-T48 PolarHBondContact O-N 3.38Å; A44-T48 PolarHBondContact O-OG1 3.04Å; A44-L377 HydrophobicContact CB-CB 4.02Å; A44-F381 HydrophobicContact CB-CB 4.18Å; A44-F381 HydrophobicContact CB-CD2 3.78Å; A44-F381 HydrophobicContact CB-CG 4.27Å; A44-I387 HydrophobicContact CB-CD1 3.96Å
45	L	98	Very high	96.4	Very high	18 Å²	18	70.5 Å²	70.5	9%	0.094	35%	0.349	C	S	.	.	H	α-helix	trans	-61.5	-47.3	176.3	-177.3	64.5	0	0	0	111.2	Y41 T42 A47 T48 K49 I387 I390	Y41-L45 HydrophobicContact CE1-CD2 4.38Å; Y41-L45 WeakPolarHBondContact O-CB 3.49Å; Y41-L45 PolarHBondContact O-N 3.25Å; T42-L45 PolarHBondContact O-N 2.89Å; L45-A47 VanDerWaalsContact C-N 3.35Å; L45-A47 PolarHBondContact O-N 2.84Å; L45-T48 PolarHBondContact O-N 2.83Å; L45-T48 PolarHBondContact O-OG1 2.97Å; L45-K49 WeakPolarHBondContact O-CG 3.42Å; L45-K49 PolarHBondContact O-N 3.38Å; L45-I387 HydrophobicContact CB-CG1 4.42Å; L45-I387 HydrophobicContact CD1-CG1 4Å; L45-I390 HydrophobicContact CD1-CD1 3.71Å
46	N	97.8	Very high	96.4	Very high	85 Å²	85	70.4 Å²	70.4	46%	0.455	35%	0.348	S	S	.	.	H	α-helix	trans	-62.5	-42.5	176.3	-70.9	-14.4	0	0	0	111.3	T42 R43 T48 K49 L50	T42-N46 WeakPolarHBondContact O-CB 2.96Å; T42-N46 PolarHBondContact O-N 2.98Å; T42-N46 PolarHBondContact O-ND2 2.92Å; R43-N46 PolarHBondContact O-N 3.05Å; N46-T48 PolarHBondContact O-N 2.92Å; N46-K49 PolarHBondContact O-N 3.28Å; N46-L50 WeakPolarHBondContact O-CB 3.49Å; N46-L50 VanDerWaalsContact O-CG 3.28Å; N46-L50 WeakPolarHBondContact O-CG 3.45Å; N46-L50 PolarHBondContact O-N 3.3Å
47	A	97.3	Very high	96.5	Very high	15 Å²	15	65.4 Å²	65.4	12%	0.124	33%	0.327	C	S	.	.	H	α-helix	trans	-59.7	-44.2	175.8	0	0	0	0	0	112.2	R43 A44 L45 K49 L50 E51 K378	R43-A47 VanDerWaalsContact O-CB 3.3Å; R43-A47 WeakPolarHBondContact O-CB 3.43Å; R43-A47 PolarHBondContact O-N 2.81Å; A44-A47 PolarHBondContact O-N 2.74Å; L45-A47 VanDerWaalsContact C-N 3.35Å; L45-A47 PolarHBondContact O-N 2.84Å; A47-K49 PolarHBondContact O-N 3.45Å; A47-L50 PolarHBondContact O-N 3.32Å; A47-E51 WeakPolarHBondContact O-CB 3.11Å; A47-E51 PolarHBondContact O-N 3.43Å; A47-K378 HydrophobicContact CB-CD 4.47Å; A47-K378 HydrophobicContact CB-CG 4.3Å
48	T	96.9	Very high	96.6	Very high	2 Å²	2	66.2 Å²	66.2	1%	0.012	33%	0.325	C	S	.	.	H	α-helix	trans	-64.2	-38.9	175.5	56.6	0	0	0	0	113	A44 L45 N46 R52 K378 I387	A44-T48 PolarHBondContact O-N 3.38Å; A44-T48 PolarHBondContact O-OG1 3.04Å; L45-T48 PolarHBondContact O-N 2.83Å; L45-T48 PolarHBondContact O-OG1 2.97Å; N46-T48 PolarHBondContact O-N 2.92Å; T48-R52 WeakPolarHBondContact O-CG 3.41Å; T48-R52 PolarHBondContact O-N 3.18Å; T48-K378 HydrophobicContact CG2-CD 3.71Å; T48-K378 HydrophobicContact CG2-CG 3.71Å; T48-I387 HydrophobicContact CG2-CG2 3.66Å
49	K	96.9	Very high	96.4	Very high	101 Å²	101	65.8 Å²	65.8	44%	0.439	32%	0.317	S	S	.	.	H	α-helix	trans	-65.5	-47	175.9	-71.1	175.8	179.6	179.1	0	111.3	L45 N46 A47 E51 R52 V53 I390	L45-K49 WeakPolarHBondContact O-CG 3.42Å; L45-K49 PolarHBondContact O-N 3.38Å; N46-K49 PolarHBondContact O-N 3.28Å; A47-K49 PolarHBondContact O-N 3.45Å; K49-E51 VanDerWaalsContact C-N 3.33Å; K49-E51 PolarHBondContact O-N 2.93Å; K49-R52 PolarHBondContact O-N 2.63Å; K49-R52 VanDerWaalsContact O-N 3.1Å; K49-V53 WeakPolarHBondContact O-CG2 3.44Å; K49-V53 PolarHBondContact O-N 3.22Å; K49-I390 HydrophobicContact CG-CD1 4.2Å; K49-I390 HydrophobicContact CG-CG2 4.45Å
50	L	95.9	Very high	96.3	Very high	94 Å²	94	62.2 Å²	62.2	49%	0.492	31%	0.306	S	S	.	.	H	α-helix	trans	-61	-42.2	178.2	-70.6	175.2	0	0	0	111.5	N46 A47 R52 V53 F54	N46-L50 WeakPolarHBondContact O-CB 3.49Å; N46-L50 VanDerWaalsContact O-CG 3.28Å; N46-L50 WeakPolarHBondContact O-CG 3.45Å; N46-L50 PolarHBondContact O-N 3.3Å; A47-L50 PolarHBondContact O-N 3.32Å; L50-R52 VanDerWaalsContact C-N 3.27Å; L50-R52 PolarHBondContact O-N 2.57Å; L50-V53 PolarHBondContact O-N 3.29Å; L50-V53 VanDerWaalsContact O-N 3.16Å; L50-F54 HydrophobicContact CB-CD2 4.21Å; L50-F54 HydrophobicContact CB-CE2 4.28Å; L50-F54 HydrophobicContact CD2-CE2 3.99Å; L50-F54 WeakPolarHBondContact O-CB 3.41Å; L50-F54 WeakPolarHBondContact O-CD2 3.45Å; L50-F54 PolarHBondContact O-N 3.09Å
51	E	95.1	Very high	96.2	Very high	52 Å²	52	62.4 Å²	62.4	24%	0.243	31%	0.313	C	S	.	.	H	α-helix	trans	-58	-39.3	174.2	179.6	177.1	-146.5	0	0	112.1	A47 K49 A55 A357 K378	A47-E51 WeakPolarHBondContact O-CB 3.11Å; A47-E51 PolarHBondContact O-N 3.43Å; K49-E51 VanDerWaalsContact C-N 3.33Å; K49-E51 PolarHBondContact O-N 2.93Å; E51-A55 WeakPolarHBondContact O-CB 3.49Å; E51-A55 PolarHBondContact O-N 3.21Å; E51-A357 HydrophobicContact CB-CB 4.46Å; E51-A357 HydrophobicContact CG-CB 3.8Å; E51-K378 IonicContact OE1-NZ 2.65Å; E51-K378 PolarHBondContact OE1-NZ 3.06Å; E51-K378 WeakPolarHBondContact OE2-CD 3.39Å; E51-K378 IonicContact OE2-NZ 3.5Å; E51-K378 PolarHBondContact OE2-NZ 3.03Å
52	R	94.6	Very high	95.9	Very high	57 Å²	57	60.4 Å²	60.4	22%	0.215	31%	0.305	C	S	.	.	H	α-helix	trans	-69.4	-38.3	175.8	-64.3	-59.1	125.7	-146.4	5.5	112.6	T48 K49 L50 A55 E318 I390 R394	T48-R52 WeakPolarHBondContact O-CG 3.41Å; T48-R52 PolarHBondContact O-N 3.18Å; K49-R52 PolarHBondContact O-N 2.63Å; K49-R52 VanDerWaalsContact O-N 3.1Å; L50-R52 VanDerWaalsContact C-N 3.27Å; L50-R52 PolarHBondContact O-N 2.57Å; R52-A55 PolarHBondContact O-N 2.99Å; R52-E318 IonicContact CZ-OE1 3.52Å; R52-E318 IonicContact NH1-OE1 3.39Å; R52-E318 PolarHBondContact NH1-OE1 3.06Å; R52-E318 IonicContact NH2-OE1 3.54Å; R52-I390 HydrophobicContact CG-CG2 3.92Å; R52-R394 VanDerWaalsContact NH1-NH1 3.18Å
53	V	95.1	Very high	95.6	Very high	102 Å²	102	62.6 Å²	62.6	62%	0.618	31%	0.314	S	S	*	.	H	α-helix	trans	-67.5	-39.7	177.5	172.9	0	0	0	0	111.3	K49 L50	K49-V53 WeakPolarHBondContact O-CG2 3.44Å; K49-V53 PolarHBondContact O-N 3.22Å; L50-V53 PolarHBondContact O-N 3.29Å; L50-V53 VanDerWaalsContact O-N 3.16Å
54	F	95.5	Very high	94.9	Very high	122 Å²	122	58.3 Å²	58.3	54%	0.535	31%	0.309	S	S	.	.	H	α-helix	trans	-88	-0.5	-179.7	-66.6	-59.5	0	0	0	114	L50 K56 A357	L50-F54 HydrophobicContact CB-CD2 4.21Å; L50-F54 HydrophobicContact CB-CE2 4.28Å; L50-F54 HydrophobicContact CD2-CE2 3.99Å; L50-F54 WeakPolarHBondContact O-CB 3.41Å; L50-F54 WeakPolarHBondContact O-CD2 3.45Å; L50-F54 PolarHBondContact O-N 3.09Å; F54-K56 VanDerWaalsContact C-N 3.32Å; F54-K56 PolarHBondContact O-N 3.27Å; F54-A357 HydrophobicContact CB-CB 4.42Å; F54-A357 WeakPolarHBondContact O-CA 3.35Å
55	A	95.4	Very high	94.7	Very high	31 Å²	31	58.8 Å²	58.8	26%	0.256	31%	0.311	S	S	.	.			trans	-68	88.1	175.8	0	0	0	0	0	110.8	E51 R52 P57 A356	E51-A55 WeakPolarHBondContact O-CB 3.49Å; E51-A55 PolarHBondContact O-N 3.21Å; R52-A55 PolarHBondContact O-N 2.99Å; A55-P57 WeakPolarHBondContact O-CD 3.49Å; A55-A356 HydrophobicContact CB-CB 3.9Å
56	K	95.3	Very high	94.4	Very high	148 Å²	148	66.7 Å²	66.7	64%	0.643	34%	0.34	S	S	*	.			trans	-123	83.6	177.1	-64.8	-177.2	-177.5	-177.9	0	108	F54 A356	F54-K56 VanDerWaalsContact C-N 3.32Å; F54-K56 PolarHBondContact O-N 3.27Å; K56-A356 CarbonylContact C-O 3.57Å; K56-A356 PolarHBondContact N-O 3.14Å
57	P	96.3	Very high	94.2	Very high	28 Å²	28	65.1 Å²	65.1	18%	0.182	33%	0.331	C	S	.	.			trans	-78.4	-33.5	-170.3	29	-34.1	0	0	0	113.7	A55 L59 Y320 W352 K353 A356	A55-P57 WeakPolarHBondContact O-CD 3.49Å; P57-L59 PolarHBondContact O-N 3.22Å; P57-Y320 HydrophobicContact CB-CD1 3.7Å; P57-Y320 HydrophobicContact CB-CD2 4.33Å; P57-Y320 HydrophobicContact CB-CE1 3.26Å; P57-Y320 HydrophobicContact CB-CE2 3.91Å; P57-Y320 HydrophobicContact CB-CG 4.24Å; P57-Y320 HydrophobicContact CG-CD1 3.64Å; P57-Y320 HydrophobicContact CG-CE1 3.56Å; P57-Y320 HydrophobicContact CG-CG 4.37Å; P57-W352 HydrophobicContact CB-CE3 4.28Å; P57-W352 HydrophobicContact CG-CE3 4.43Å; P57-W352 CarbonylContact O-C 3.58Å; P57-W352 VanDerWaalsContact O-CA 3.27Å; P57-W352 WeakPolarHBondContact O-CA 3.14Å; P57-K353 PolarHBondContact O-N 3.02Å; P57-A356 HydrophobicContact CB-CB 3.81Å; P57-A356 HydrophobicContact CG-CB 4.29Å
58	F	96.4	Very high	94.1	Very high	96 Å²	96	64.4 Å²	64.4	42%	0.421	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	129.1	-179.1	180	-105	0	0	0	110.6	A60 R350 W352	F58-A60 WeakPolarHBondContact CE2-O 3.47Å; F58-R350 HydrophobicContact CE2-CB 4.23Å; F58-R350 HydrophobicContact CE2-CG 4.04Å; F58-W352 HydrophobicContact CB-CE3 3.93Å; F58-W352 HydrophobicContact CB-CZ3 3.79Å; F58-W352 HydrophobicContact CD2-CD2 4.49Å; F58-W352 HydrophobicContact CD2-CE3 4.22Å; F58-W352 HydrophobicContact CD2-CH2 4.21Å; F58-W352 HydrophobicContact CD2-CZ2 4.41Å; F58-W352 HydrophobicContact CD2-CZ3 4.07Å; F58-W352 HydrophobicContact CG-CZ3 4.41Å
59	L	93.9	Very high	94.1	Very high	59 Å²	59	64.3 Å²	64.3	31%	0.309	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	-58.1	179.9	-176.1	57.2	0	0	0	111.6	P57 Y339 L351 L360	P57-L59 PolarHBondContact O-N 3.22Å; L59-Y339 HydrophobicContact CD2-CD1 4.09Å; L59-Y339 HydrophobicContact CD2-CE1 3.63Å; L59-L351 HydrophobicContact CB-CD2 4.38Å; L59-L351 HydrophobicContact CB-CG 4.28Å; L59-L351 WeakPolarHBondContact CB-O 3.43Å; L59-L351 HydrophobicContact CD2-CD2 3.58Å; L59-L351 HydrophobicContact CD2-CG 4.11Å; L59-L351 HydrophobicContact CG-CD2 4.14Å; L59-L351 PolarHBondContact N-O 2.73Å; L59-L360 HydrophobicContact CD1-CD1 3.89Å
60	A	93.9	Very high	94	Very high	15 Å²	15	61.1 Å²	61.1	12%	0.124	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	160	-175.8	0	0	0	0	0	111.9	F58 L351	F58-A60 WeakPolarHBondContact CE2-O 3.47Å; A60-L351 PolarHBondContact N-O 3.47Å; A60-L351 PolarHBondContact O-N 2.93Å
61	S	93.9	Very high	93.9	Very high	50 Å²	50	57.2 Å²	57.2	35%	0.35	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	133.1	166.6	-155	0	0	0	0	107.7	N348 I349	S61-N348 PolarHBondContact OG-OD1 3.27Å; S61-I349 CarbonylContact C-O 3.38Å; S61-I349 WeakPolarHBondContact CA-O 3.45Å
62	L	93.4	Very high	94	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.01	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	109.8	169	-52.5	171.8	0	0	0	106.3	L82 W94 L96 H99 I349	L62-L82 HydrophobicContact CD1-CD2 4.4Å; L62-W94 HydrophobicContact CB-CD2 4.2Å; L62-W94 HydrophobicContact CB-CE3 3.81Å; L62-W94 HydrophobicContact CB-CH2 4.13Å; L62-W94 HydrophobicContact CB-CZ2 4.48Å; L62-W94 HydrophobicContact CB-CZ3 3.77Å; L62-W94 HydrophobicContact CD1-CB 4.24Å; L62-W94 HydrophobicContact CD1-CD2 4.12Å; L62-W94 HydrophobicContact CD1-CE3 4.19Å; L62-W94 HydrophobicContact CD1-CG 4.13Å; L62-W94 HydrophobicContact CD2-CE3 4.23Å; L62-W94 HydrophobicContact CG-CE3 4.3Å; L62-L96 HydrophobicContact CD1-CD2 3.97Å; L62-H99 HydrophobicContact CD2-CB 3.77Å; L62-I349 HydrophobicContact CB-CB 4.2Å; L62-I349 HydrophobicContact CD1-CB 4.44Å; L62-I349 HydrophobicContact CD1-CG2 4.3Å; L62-I349 PolarHBondContact N-O 3.3Å; L62-I349 PolarHBondContact O-N 3.49Å; L62-I349 VanDerWaalsContact O-N 3.16Å
63	D	89.6	Confident	94	Very high	113 Å²	113	52.7 Å²	52.7	60%	0.604	28%	0.276	S	S	*	.			trans	-106.3	145.1	-177.5	-166.7	7.9	0	0	0	109.8	W94	D63-W94 VanDerWaalsContact O-CH2 3.31Å; D63-W94 WeakPolarHBondContact O-CH2 3.45Å
64	G	83.6	Confident	94	Very high	35 Å²	35	51.2 Å²	51.2	36%	0.361	26%	0.261	S	S	.	.			trans	150.5	-8.9	176.9	0	0	0	0	0	116.3	K92	G64-K92 WeakPolarHBondContact O-CE 3.24Å; G64-K92 PolarHBondContact O-NZ 2.71Å
65	H	93.3	Very high	93.9	Very high	9 Å²	9	46.3 Å²	46.3	4%	0.042	24%	0.24	C	C	.	.			trans	-78.1	149.4	169.5	-74.3	-68.5	0	0	0	111.2	S84 K92 M347	H65-S84 PolarHBondContact CE1-OG 3.21Å; H65-S84 WeakPolarHBondContact NE2-CB 3.47Å; H65-S84 PolarHBondContact NE2-OG 2.75Å; H65-K92 VanDerWaalsContact ND1-CE 3.28Å; H65-K92 WeakPolarHBondContact ND1-CE 3.44Å; H65-M347 HydrophobicContact CB-CB 4.1Å; H65-M347 WeakPolarHBondContact CB-O 3.43Å; H65-M347 WeakPolarHBondContact O-CB 3.33Å
66	R	92.2	Very high	93.7	Very high	184 Å²	184	47.3 Å²	47.3	69%	0.694	24%	0.243	S	C	*	.	S	Bend	trans	-89.7	-26.6	178.5	-67.9	178.2	-176.1	178.3	4.6	113.2	D88 E90 M347	R66-D88 WeakPolarHBondContact CB-OD2 3.42Å; R66-E90 WeakPolarHBondContact CD-OE1 3.39Å; R66-E90 IonicContact CZ-OE1 3.42Å; R66-E90 IonicContact NE-OE1 3.84Å; R66-E90 PolarHBondContact NE-OE1 3.08Å; R66-E90 IonicContact NH1-OE1 2.66Å; R66-M347 WeakPolarHBondContact O-CE 3.46Å; R66-M347 VanDerWaalsContact O-SD 3.4Å
67	D	94.7	Very high	93.5	Very high	52 Å²	52	48.4 Å²	48.4	28%	0.278	24%	0.243	S	C	.	.	S	Bend	trans	-134.1	176.3	174.8	-162.6	13.5	0	0	0	111.8	S86 C87 D88 M347	D67-S86 PolarHBondContact O-OG 3.28Å; D67-C87 HydrophobicContact CB-CB 4.26Å; D67-C87 WeakPolarHBondContact OD2-CB 3.4Å; D67-D88 HydrophobicContact CB-CB 4.29Å; D67-D88 WeakPolarHBondContact CB-OD1 3.33Å; D67-D88 WeakPolarHBondContact CB-OD2 3.49Å; D67-D88 PolarHBondContact N-OD2 3.19Å; D67-D88 VanDerWaalsContact N-OD2 3.14Å; D67-M347 VanDerWaalsContact CA-CG 3.49Å; D67-M347 WeakPolarHBondContact O-CA 3.3Å; D67-M347 WeakPolarHBondContact O-CB 3.48Å; D67-M347 VanDerWaalsContact O-CG 3.29Å; D67-M347 WeakPolarHBondContact O-CG 3.47Å
68	G	94.2	Very high	93.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.246	C	C	.	.			trans	-54.7	142.7	-173.7	0	0	0	0	0	114.2	N70 S86 C87 D345	G68-N70 PolarHBondContact O-N 3.32Å; G68-S86 CarbonylContact O-C 3.52Å; G68-S86 WeakPolarHBondContact O-CA 3.35Å; G68-C87 PolarHBondContact O-N 2.86Å; G68-C87 PolarHBondContact O-SG 2.78Å; G68-D345 VanDerWaalsContact CA-O 3.28Å; G68-D345 WeakPolarHBondContact CA-O 3.3Å
69	V	96.3	Very high	93.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	107	179.9	-177.1	0	0	0	0	109.7	L72 S344 M347 I349	V69-L72 HydrophobicContact CG1-CD2 4.21Å; V69-L72 HydrophobicContact CG1-CG 4.37Å; V69-S344 PolarHBondContact N-O 3.48Å; V69-M347 VanDerWaalsContact CG2-O 3.28Å; V69-M347 WeakPolarHBondContact CG2-O 3.41Å; V69-I349 HydrophobicContact CG1-CG1 4.24Å; V69-I349 HydrophobicContact CG2-CG1 3.95Å
70	N	94.9	Very high	93	Very high	34 Å²	34	48.4 Å²	48.4	18%	0.182	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-36.7	-176.3	-173.9	49.7	0	0	0	113	G68 G85 V112	G68-N70 PolarHBondContact O-N 3.32Å; N70-G85 PolarHBondContact N-O 3.26Å; N70-V112 PolarHBondContact ND2-O 3.14Å
71	C	94.4	Very high	93	Very high	13 Å²	13	49 Å²	49	9%	0.088	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	149.6	-178.1	64.7	0	0	0	0	113.8	S84 G85 V112	C71-S84 WeakPolarHBondContact O-CA 3.4Å; C71-G85 PolarHBondContact N-O 2.97Å; C71-G85 PolarHBondContact O-N 3.34Å; C71-V112 PolarHBondContact SG-O 3.02Å
72	L	96.6	Very high	93.1	Very high	7 Å²	7	46.7 Å²	46.7	4%	0.037	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	136.4	175.6	-74.2	174.1	0	0	0	110.3	V69 L82 L83 C330 K332 L341 I349	V69-L72 HydrophobicContact CG1-CD2 4.21Å; V69-L72 HydrophobicContact CG1-CG 4.37Å; L72-L82 HydrophobicContact CD2-CD1 4.36Å; L72-L82 HydrophobicContact CD2-CD2 4.21Å; L72-L82 HydrophobicContact CD2-CG 4.39Å; L72-L83 WeakPolarHBondContact CA-O 3.4Å; L72-C330 VanDerWaalsContact CG-SG 3.59Å; L72-K332 HydrophobicContact CB-CG 3.9Å; L72-K332 WeakPolarHBondContact O-CE 3.27Å; L72-L341 HydrophobicContact CD1-CB 4.46Å; L72-I349 HydrophobicContact CD2-CD1 4.04Å; L72-I349 HydrophobicContact CD2-CG1 4.32Å; L72-I349 HydrophobicContact CD2-CG2 4.36Å
73	A	95.8	Very high	93.3	Very high	7 Å²	7	46.6 Å²	46.6	6%	0.058	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	128.1	174.8	0	0	0	0	0	110.5	L83 M115 V117	A73-L83 HydrophobicContact CB-CB 4.38Å; A73-L83 PolarHBondContact N-O 2.83Å; A73-L83 PolarHBondContact O-N 3.04Å; A73-M115 HydrophobicContact CB-CB 4.37Å; A73-M115 HydrophobicContact CB-CE 4.01Å; A73-M115 HydrophobicContact CB-CG 3.99Å; A73-V117 HydrophobicContact CB-CG2 4.31Å
74	K	94.6	Very high	93.6	Very high	71 Å²	71	41.2 Å²	41.2	31%	0.309	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	141.9	177.5	32.8	-176.7	-80.2	-174.2	0	109.3	K332 W333	K74-K332 HydrophobicContact CD-CB 4.31Å; K74-K332 HydrophobicContact CD-CD 4.4Å; K74-W333 WeakPolarHBondContact CD-O 3.25Å; K74-W333 PolarHBondContact NZ-O 2.75Å
75	H	94.2	Very high	94.2	Very high	19 Å²	19	39.6 Å²	39.6	9%	0.088	19%	0.191	C	C	.	.			trans	-72.1	134.9	174.9	-171.4	-59.1	0	0	0	110	R77 S78 T81 G121	H75-R77 PolarHBondContact ND1-N 2.83Å; H75-S78 PolarHBondContact CE1-N 3.43Å; H75-S78 PolarHBondContact ND1-N 2.73Å; H75-T81 WeakPolarHBondContact CB-O 3.14Å; H75-T81 PolarHBondContact N-O 2.94Å; H75-G121 VanDerWaalsContact CE1-CA 3.41Å; H75-G121 WeakPolarHBondContact CE1-CA 3.41Å; H75-G121 VanDerWaalsContact NE2-CA 3.27Å; H75-G121 WeakPolarHBondContact NE2-CA 3.13Å; H75-G121 PolarHBondContact NE2-O 2.81Å; H75-G121 VanDerWaalsContact NE2-O 3.1Å
76	P	90.4	Very high	94.3	Very high	51 Å²	51	39.1 Å²	39.1	33%	0.331	19%	0.189	S	C	.	.	S	Bend	trans	-72.1	-35.5	-174.7	24	-32.7	0	0	0	113.9	V117 R118	P76-V117 HydrophobicContact CG-CG1 4.37Å; P76-R118 WeakPolarHBondContact CG-O 3.48Å
77	R	89.9	Confident	94.5	Very high	171 Å²	171	30.9 Å²	30.9	65%	0.645	16%	0.16	S	C	*	.	S	Bend	trans	-98.8	-41.6	-179.9	-53.3	180	-175.9	173.5	-7.9	115.3	H75 C120	H75-R77 PolarHBondContact ND1-N 2.83Å; R77-C120 WeakPolarHBondContact CD-O 3.12Å; R77-C120 PolarHBondContact NE-O 3.17Å; R77-C120 VanDerWaalsContact NE-O 3.16Å; R77-C120 PolarHBondContact NH1-O 3.42Å; R77-C120 VanDerWaalsContact NH2-CA 3.31Å
78	S	92.4	Very high	94.4	Very high	34 Å²	34	31.4 Å²	31.4	24%	0.238	16%	0.162	C	C	.	.			trans	-83.6	128	177.6	-180	0	0	0	0	111.4	H75 S80 T81	H75-S78 PolarHBondContact CE1-N 3.43Å; H75-S78 PolarHBondContact ND1-N 2.73Å; S78-S80 PolarHBondContact OG-N 3.28Å; S78-S80 PolarHBondContact OG-OG 3.03Å; S78-T81 PolarHBondContact OG-OG1 2.96Å
79	L	92.4	Very high	94.4	Very high	114 Å²	114	31.4 Å²	31.4	60%	0.597	16%	0.162	S	C	*	.	S	Bend	trans	-78.6	-25.4	175.2	-63.1	176.8	0	0	0	113	A335	L79-A335 HydrophobicContact CD2-CB 3.45Å; L79-A335 VanDerWaalsContact CD2-CB 3.45Å
80	S	93	Very high	94.3	Very high	35 Å²	35	31.9 Å²	31.9	25%	0.245	16%	0.164	C	C	.	.	S	Bend	trans	-87.9	-16.5	-172.8	58.4	0	0	0	0	113.2	S78 L96	S78-S80 PolarHBondContact OG-N 3.28Å; S78-S80 PolarHBondContact OG-OG 3.03Å; S80-L96 WeakPolarHBondContact O-CB 3.31Å; S80-L96 WeakPolarHBondContact O-CG 3.38Å; S80-L96 PolarHBondContact O-N 2.58Å
81	T	93.9	Very high	94.4	Very high	29 Å²	29	30.3 Å²	30.3	18%	0.178	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	124.6	-169.6	-43.7	0	0	0	0	111.7	H75 S78 V93 W94 M138	H75-T81 WeakPolarHBondContact CB-O 3.14Å; H75-T81 PolarHBondContact N-O 2.94Å; S78-T81 PolarHBondContact OG-OG1 2.96Å; T81-V93 HydrophobicContact CG2-CG1 3.77Å; T81-W94 WeakPolarHBondContact CA-O 3.43Å; T81-M138 HydrophobicContact CG2-CE 3.2Å
82	L	95.8	Very high	94.4	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	140.5	176.7	176.9	70.2	0	0	0	109.4	L62 L72 W94 L96 L341 I349	L62-L82 HydrophobicContact CD1-CD2 4.4Å; L72-L82 HydrophobicContact CD2-CD1 4.36Å; L72-L82 HydrophobicContact CD2-CD2 4.21Å; L72-L82 HydrophobicContact CD2-CG 4.39Å; L82-W94 HydrophobicContact CB-CB 4.28Å; L82-W94 PolarHBondContact N-O 3.03Å; L82-W94 VanDerWaalsContact N-O 3.09Å; L82-W94 PolarHBondContact O-N 3.27Å; L82-L96 HydrophobicContact CB-CD1 4.3Å; L82-L96 HydrophobicContact CB-CD2 4.1Å; L82-L96 HydrophobicContact CB-CG 4.16Å; L82-L96 HydrophobicContact CD2-CD2 4.07Å; L82-L341 HydrophobicContact CD1-CD1 3.66Å; L82-L341 HydrophobicContact CD2-CD1 3.76Å; L82-L341 HydrophobicContact CD2-CD2 3.89Å; L82-L341 HydrophobicContact CD2-CG 4.33Å; L82-L341 HydrophobicContact CG-CD1 4.24Å; L82-I349 HydrophobicContact CD2-CG2 4.14Å
83	L	96.3	Very high	94.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	145.3	170.4	-63	75.8	0	0	0	109.7	L72 A73 K92 V93 M115 V117 F124 M138	L72-L83 WeakPolarHBondContact CA-O 3.4Å; A73-L83 HydrophobicContact CB-CB 4.38Å; A73-L83 PolarHBondContact N-O 2.83Å; A73-L83 PolarHBondContact O-N 3.04Å; L83-K92 WeakPolarHBondContact CA-O 3.04Å; L83-V93 HydrophobicContact CD2-CG2 4.42Å; L83-V93 HydrophobicContact CG-CG2 4.21Å; L83-M115 HydrophobicContact CB-CE 3.46Å; L83-M115 VanDerWaalsContact CB-CE 3.46Å; L83-M115 HydrophobicContact CB-SD 3.6Å; L83-M115 VanDerWaalsContact CB-SD 3.6Å; L83-M115 HydrophobicContact CD2-SD 3.84Å; L83-M115 HydrophobicContact CG-SD 4.39Å; L83-V117 HydrophobicContact CD1-CG2 3.45Å; L83-V117 VanDerWaalsContact CD1-CG2 3.45Å; L83-V117 HydrophobicContact CD2-CG2 4.12Å; L83-V117 HydrophobicContact CG-CG2 4.36Å; L83-F124 HydrophobicContact CD2-CB 3.86Å; L83-F124 HydrophobicContact CD2-CD1 3.74Å; L83-F124 HydrophobicContact CD2-CD2 3.67Å; L83-F124 HydrophobicContact CD2-CE1 4.15Å; L83-F124 HydrophobicContact CD2-CE2 4.09Å; L83-F124 HydrophobicContact CD2-CG 3.48Å; L83-F124 VanDerWaalsContact CD2-CG 3.48Å; L83-F124 HydrophobicContact CD2-CZ 4.3Å; L83-M138 HydrophobicContact CD1-CE 3.75Å; L83-M138 HydrophobicContact CD1-SD 4.33Å; L83-M138 HydrophobicContact CD2-SD 4.27Å; L83-M138 HydrophobicContact CG-CE 4.29Å
84	S	96.8	Very high	94.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	137.5	175.4	58.1	0	0	0	0	111.9	H65 C71 V91 K92 W94 I349	H65-S84 PolarHBondContact CE1-OG 3.21Å; H65-S84 WeakPolarHBondContact NE2-CB 3.47Å; H65-S84 PolarHBondContact NE2-OG 2.75Å; C71-S84 WeakPolarHBondContact O-CA 3.4Å; S84-V91 CarbonylContact O-C 3.54Å; S84-V91 WeakPolarHBondContact O-CA 3.07Å; S84-K92 PolarHBondContact N-O 3.18Å; S84-K92 PolarHBondContact O-N 3.36Å; S84-K92 PolarHBondContact OG-O 2.71Å; S84-W94 PolarHBondContact OG-NE1 3.24Å; S84-I349 WeakPolarHBondContact OG-CD1 3.19Å
85	G	96.4	Very high	94.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	133.2	173.7	0	0	0	0	0	111.6	N70 C71	N70-G85 PolarHBondContact N-O 3.26Å; C71-G85 PolarHBondContact N-O 2.97Å; C71-G85 PolarHBondContact O-N 3.34Å
86	S	95.9	Very high	94.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	164.3	177.3	-178	0	0	0	0	111.9	D67 G68 D88 G89 E90 V112	D67-S86 PolarHBondContact O-OG 3.28Å; G68-S86 CarbonylContact O-C 3.52Å; G68-S86 WeakPolarHBondContact O-CA 3.35Å; S86-D88 VanDerWaalsContact C-N 3.25Å; S86-D88 PolarHBondContact OG-N 2.78Å; S86-G89 PolarHBondContact O-N 2.79Å; S86-E90 PolarHBondContact N-O 2.91Å; S86-V112 WeakPolarHBondContact O-CG2 3.42Å; S86-V112 PolarHBondContact O-N 3.07Å; S86-V112 VanDerWaalsContact O-N 3.15Å
87	C	94.8	Very high	94.3	Very high	11 Å²	11	31 Å²	31	7%	0.074	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-26.8	165.9	-68.1	0	0	0	0	112.7	D67 G68 G89 G110 F111	D67-C87 HydrophobicContact CB-CB 4.26Å; D67-C87 WeakPolarHBondContact OD2-CB 3.4Å; G68-C87 PolarHBondContact O-N 2.86Å; G68-C87 PolarHBondContact O-SG 2.78Å; C87-G89 PolarHBondContact O-N 2.93Å; C87-G89 VanDerWaalsContact O-N 3.14Å; C87-G110 CarbonylContact O-C 3.57Å; C87-F111 HydrophobicContact CB-CD1 3.9Å; C87-F111 HydrophobicContact CB-CD2 4.43Å; C87-F111 HydrophobicContact CB-CE1 3.84Å; C87-F111 HydrophobicContact CB-CE2 4.4Å; C87-F111 HydrophobicContact CB-CG 4.18Å; C87-F111 HydrophobicContact CB-CZ 4.1Å; C87-F111 VanDerWaalsContact O-CA 3.26Å; C87-F111 WeakPolarHBondContact O-CA 3.44Å; C87-F111 WeakPolarHBondContact O-CD1 3.44Å; C87-F111 PolarHBondContact O-N 2.94Å
88	D	93	Very high	94.3	Very high	62 Å²	62	29.4 Å²	29.4	33%	0.332	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	1.3	177.3	-72.1	-27.9	0	0	0	114.9	R66 D67 S86 E90 Q106	R66-D88 WeakPolarHBondContact CB-OD2 3.42Å; D67-D88 HydrophobicContact CB-CB 4.29Å; D67-D88 WeakPolarHBondContact CB-OD1 3.33Å; D67-D88 WeakPolarHBondContact CB-OD2 3.49Å; D67-D88 PolarHBondContact N-OD2 3.19Å; D67-D88 VanDerWaalsContact N-OD2 3.14Å; S86-D88 VanDerWaalsContact C-N 3.25Å; S86-D88 PolarHBondContact OG-N 2.78Å; D88-E90 PolarHBondContact O-N 2.88Å; D88-Q106 PolarHBondContact O-NE2 2.99Å
89	G	93.8	Very high	94.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	83.9	-6	-175	0	0	0	0	0	114.8	S86 C87 A107 H108 G110	S86-G89 PolarHBondContact O-N 2.79Å; C87-G89 PolarHBondContact O-N 2.93Å; C87-G89 VanDerWaalsContact O-N 3.14Å; G89-A107 PolarHBondContact O-N 3.15Å; G89-H108 WeakPolarHBondContact CA-O 3.41Å; G89-H108 PolarHBondContact O-N 2.96Å; G89-G110 WeakPolarHBondContact CA-O 3.35Å; G89-G110 PolarHBondContact N-O 3.48Å
90	E	95.2	Very high	94.2	Very high	10 Å²	10	31.5 Å²	31.5	5%	0.047	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	134.8	172.5	-74	-170.1	-166.9	0	0	111.5	R66 S86 D88 K92 L105 Q106	R66-E90 WeakPolarHBondContact CD-OE1 3.39Å; R66-E90 IonicContact CZ-OE1 3.42Å; R66-E90 IonicContact NE-OE1 3.84Å; R66-E90 PolarHBondContact NE-OE1 3.08Å; R66-E90 IonicContact NH1-OE1 2.66Å; S86-E90 PolarHBondContact N-O 2.91Å; D88-E90 PolarHBondContact O-N 2.88Å; E90-K92 WeakPolarHBondContact OE2-CE 3.28Å; E90-K92 IonicContact OE2-NZ 3.79Å; E90-K92 PolarHBondContact OE2-NZ 3.28Å; E90-L105 CarbonylContact C-O 3.25Å; E90-L105 WeakPolarHBondContact CA-O 3.28Å; E90-Q106 VanDerWaalsContact CG-OE1 3.24Å
91	V	95.9	Very high	94.2	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	132.6	168.2	174.1	0	0	0	0	108.8	S84 L105 A107 V112 M115 F124 T126	S84-V91 CarbonylContact O-C 3.54Å; S84-V91 WeakPolarHBondContact O-CA 3.07Å; V91-L105 HydrophobicContact CB-CD2 3.79Å; V91-L105 HydrophobicContact CB-CG 4.06Å; V91-L105 HydrophobicContact CG1-CD2 4.05Å; V91-L105 PolarHBondContact N-O 3.1Å; V91-L105 PolarHBondContact O-N 3.38Å; V91-A107 HydrophobicContact CB-CB 4.35Å; V91-A107 HydrophobicContact CG2-CB 3.71Å; V91-V112 HydrophobicContact CG2-CG1 4.09Å; V91-V112 HydrophobicContact CG2-CG2 3.91Å; V91-M115 HydrophobicContact CG1-CE 4.46Å; V91-M115 HydrophobicContact CG1-SD 3.59Å; V91-M115 VanDerWaalsContact CG1-SD 3.59Å; V91-M115 HydrophobicContact CG2-SD 4.45Å; V91-F124 HydrophobicContact CG1-CE2 4.09Å; V91-T126 HydrophobicContact CG2-CG2 4.01Å
92	K	95.3	Very high	94.1	Very high	12 Å²	12	35.4 Å²	35.4	5%	0.052	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	138.9	178.2	-65.2	-179.1	-161.1	-84.8	0	111.4	G64 H65 L83 S84 E90 W94 R103 T104	G64-K92 WeakPolarHBondContact O-CE 3.24Å; G64-K92 PolarHBondContact O-NZ 2.71Å; H65-K92 VanDerWaalsContact ND1-CE 3.28Å; H65-K92 WeakPolarHBondContact ND1-CE 3.44Å; L83-K92 WeakPolarHBondContact CA-O 3.04Å; S84-K92 PolarHBondContact N-O 3.18Å; S84-K92 PolarHBondContact O-N 3.36Å; S84-K92 PolarHBondContact OG-O 2.71Å; E90-K92 WeakPolarHBondContact OE2-CE 3.28Å; E90-K92 IonicContact OE2-NZ 3.79Å; E90-K92 PolarHBondContact OE2-NZ 3.28Å; K92-W94 HydrophobicContact CB-CZ2 4.03Å; K92-W94 HydrophobicContact CD-CH2 4.31Å; K92-W94 HydrophobicContact CD-CZ2 3.72Å; K92-R103 CarbonylContact C-O 3.47Å; K92-R103 VanDerWaalsContact CA-O 3.27Å; K92-R103 WeakPolarHBondContact CA-O 3.4Å; K92-T104 HydrophobicContact CG-CG2 4.16Å; K92-T104 PolarHBondContact NZ-OG1 2.8Å
93	V	95.3	Very high	93.9	Very high	7 Å²	7	36.7 Å²	36.7	4%	0.042	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	122.9	172.2	-177	0	0	0	0	108.3	T81 L83 V102 R103 M138	T81-V93 HydrophobicContact CG2-CG1 3.77Å; L83-V93 HydrophobicContact CD2-CG2 4.42Å; L83-V93 HydrophobicContact CG-CG2 4.21Å; V93-V102 PolarHBondContact O-N 3.35Å; V93-R103 HydrophobicContact CB-CB 4.09Å; V93-R103 HydrophobicContact CG2-CB 4.22Å; V93-R103 PolarHBondContact N-O 3.17Å; V93-R103 PolarHBondContact O-N 3.42Å; V93-M138 HydrophobicContact CG1-CE 3.45Å; V93-M138 VanDerWaalsContact CG1-CE 3.45Å; V93-M138 HydrophobicContact CG2-CE 4.29Å
94	W	95.4	Very high	93.8	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.015	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	146.2	-175.6	-58.4	90.3	0	0	0	111.7	L62 D63 T81 L82 S84 K92 C101 I349	L62-W94 HydrophobicContact CB-CD2 4.2Å; L62-W94 HydrophobicContact CB-CE3 3.81Å; L62-W94 HydrophobicContact CB-CH2 4.13Å; L62-W94 HydrophobicContact CB-CZ2 4.48Å; L62-W94 HydrophobicContact CB-CZ3 3.77Å; L62-W94 HydrophobicContact CD1-CB 4.24Å; L62-W94 HydrophobicContact CD1-CD2 4.12Å; L62-W94 HydrophobicContact CD1-CE3 4.19Å; L62-W94 HydrophobicContact CD1-CG 4.13Å; L62-W94 HydrophobicContact CD2-CE3 4.23Å; L62-W94 HydrophobicContact CG-CE3 4.3Å; D63-W94 VanDerWaalsContact O-CH2 3.31Å; D63-W94 WeakPolarHBondContact O-CH2 3.45Å; T81-W94 WeakPolarHBondContact CA-O 3.43Å; L82-W94 HydrophobicContact CB-CB 4.28Å; L82-W94 PolarHBondContact N-O 3.03Å; L82-W94 VanDerWaalsContact N-O 3.09Å; L82-W94 PolarHBondContact O-N 3.27Å; S84-W94 PolarHBondContact OG-NE1 3.24Å; K92-W94 HydrophobicContact CB-CZ2 4.03Å; K92-W94 HydrophobicContact CD-CH2 4.31Å; K92-W94 HydrophobicContact CD-CZ2 3.72Å; W94-C101 HydrophobicContact CD2-CB 4.43Å; W94-C101 HydrophobicContact CE3-CB 3.8Å; W94-C101 HydrophobicContact CH2-CB 3.91Å; W94-C101 HydrophobicContact CZ3-CB 3.51Å; W94-I349 HydrophobicContact CZ2-CD1 4.23Å
95	N	94.4	Very high	93.5	Very high	32 Å²	32	40.1 Å²	40.1	17%	0.171	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	110.2	164.5	-172.1	-10.2	0	0	0	110.1	T97 K98 H99 E100 V102	N95-T97 VanDerWaalsContact C-N 3.28Å; N95-T97 PolarHBondContact O-N 2.81Å; N95-T97 PolarHBondContact OD1-N 2.89Å; N95-T97 VanDerWaalsContact OD1-N 3.14Å; N95-T97 PolarHBondContact OD1-OG1 2.87Å; N95-K98 PolarHBondContact O-N 3.25Å; N95-H99 WeakPolarHBondContact O-CA 3.43Å; N95-H99 PolarHBondContact O-N 3.03Å; N95-E100 PolarHBondContact N-O 2.86Å; N95-E100 PolarHBondContact O-N 2.75Å; N95-V102 HydrophobicContact CB-CG2 3.62Å
96	L	92.7	Very high	93.4	Very high	27 Å²	27	45.2 Å²	45.2	14%	0.141	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-22.4	-177.8	-64.1	178.5	0	0	0	113.8	L62 S80 L82 H99 L341	L62-L96 HydrophobicContact CD1-CD2 3.97Å; S80-L96 WeakPolarHBondContact O-CB 3.31Å; S80-L96 WeakPolarHBondContact O-CG 3.38Å; S80-L96 PolarHBondContact O-N 2.58Å; L82-L96 HydrophobicContact CB-CD1 4.3Å; L82-L96 HydrophobicContact CB-CD2 4.1Å; L82-L96 HydrophobicContact CB-CG 4.16Å; L82-L96 HydrophobicContact CD2-CD2 4.07Å; L96-H99 PolarHBondContact O-CE1 2.92Å; L96-H99 PolarHBondContact O-ND1 3.04Å; L96-L341 HydrophobicContact CD1-CD1 4.27Å; L96-L341 HydrophobicContact CD2-CD2 3.98Å
97	T	91.4	Very high	93.3	Very high	101 Å²	101	45.2 Å²	45.2	62%	0.62	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-36.3	179.1	59.9	0	0	0	0	112.2	N95	N95-T97 VanDerWaalsContact C-N 3.28Å; N95-T97 PolarHBondContact O-N 2.81Å; N95-T97 PolarHBondContact OD1-N 2.89Å; N95-T97 VanDerWaalsContact OD1-N 3.14Å; N95-T97 PolarHBondContact OD1-OG1 2.87Å
98	K	90.8	Very high	93.2	Very high	138 Å²	138	44.9 Å²	44.9	60%	0.6	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92	-16	177.5	-64.1	-173	177.4	-174.4	0	113.3	N95 E100	N95-K98 PolarHBondContact O-N 3.25Å; K98-E100 VanDerWaalsContact C-N 3.26Å; K98-E100 HydrophobicContact CB-CB 4.27Å; K98-E100 HydrophobicContact CB-CG 4.18Å; K98-E100 PolarHBondContact O-N 2.86Å
99	H	90.8	Very high	93.1	Very high	78 Å²	78	50.9 Å²	50.9	36%	0.361	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	34.8	-172	-54.4	-64.1	0	0	0	113.3	L62 N95 L96	L62-H99 HydrophobicContact CD2-CB 3.77Å; N95-H99 WeakPolarHBondContact O-CA 3.43Å; N95-H99 PolarHBondContact O-N 3.03Å; L96-H99 PolarHBondContact O-CE1 2.92Å; L96-H99 PolarHBondContact O-ND1 3.04Å
100	E	91.8	Very high	93	Very high	114 Å²	114	51.9 Å²	51.9	53%	0.533	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	147.7	-175.7	-72.2	171.2	171.3	0	0	111.4	N95 K98 V102	N95-E100 PolarHBondContact N-O 2.86Å; N95-E100 PolarHBondContact O-N 2.75Å; K98-E100 VanDerWaalsContact C-N 3.26Å; K98-E100 HydrophobicContact CB-CB 4.27Å; K98-E100 HydrophobicContact CB-CG 4.18Å; K98-E100 PolarHBondContact O-N 2.86Å; E100-V102 PolarHBondContact O-N 3.02Å
101	C	92.9	Very high	92.9	Very high	52 Å²	52	55.3 Å²	55.3	35%	0.351	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	116.7	167.5	-177.1	0	0	0	0	108.5	W94 R103 T104	W94-C101 HydrophobicContact CD2-CB 4.43Å; W94-C101 HydrophobicContact CE3-CB 3.8Å; W94-C101 HydrophobicContact CH2-CB 3.91Å; W94-C101 HydrophobicContact CZ3-CB 3.51Å; C101-R103 PolarHBondContact SG-O 3.32Å; C101-R103 VanDerWaalsContact SG-O 3.34Å; C101-T104 PolarHBondContact SG-OG1 2.79Å
102	V	92.1	Very high	92.9	Very high	94 Å²	94	55.2 Å²	55.2	57%	0.57	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	-38.7	178.5	-179.7	0	0	0	0	111	V93 N95 E100	V93-V102 PolarHBondContact O-N 3.35Å; N95-V102 HydrophobicContact CB-CG2 3.62Å; E100-V102 PolarHBondContact O-N 3.02Å
103	R	90.8	Very high	92.8	Very high	28 Å²	28	59.1 Å²	59.1	11%	0.106	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	138.7	-179.2	-170.7	-179.1	-52.4	145.1	27.7	110.8	K92 V93 C101 K137 M138 E139 A140 E147	K92-R103 CarbonylContact C-O 3.47Å; K92-R103 VanDerWaalsContact CA-O 3.27Å; K92-R103 WeakPolarHBondContact CA-O 3.4Å; V93-R103 HydrophobicContact CB-CB 4.09Å; V93-R103 HydrophobicContact CG2-CB 4.22Å; V93-R103 PolarHBondContact N-O 3.17Å; V93-R103 PolarHBondContact O-N 3.42Å; C101-R103 PolarHBondContact SG-O 3.32Å; C101-R103 VanDerWaalsContact SG-O 3.34Å; R103-K137 PolarHBondContact NH1-O 2.83Å; R103-M138 PolarHBondContact NH1-O 3.15Å; R103-M138 PolarHBondContact NH2-O 3.41Å; R103-E139 VanDerWaalsContact CZ-O 3.24Å; R103-E139 PolarHBondContact NH1-O 2.9Å; R103-E139 PolarHBondContact NH2-O 3.43Å; R103-A140 VanDerWaalsContact CZ-N 3.31Å; R103-A140 VanDerWaalsContact NH2-CA 3.26Å; R103-E147 WeakPolarHBondContact CD-OE1 3.25Å
104	T	93.3	Very high	92.7	Very high	66 Å²	66	59.1 Å²	59.1	41%	0.405	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	131.7	165.2	-63.2	0	0	0	0	107.9	K92 C101	K92-T104 HydrophobicContact CG-CG2 4.16Å; K92-T104 PolarHBondContact NZ-OG1 2.8Å; C101-T104 PolarHBondContact SG-OG1 2.79Å
105	L	92.6	Very high	92.8	Very high	6 Å²	6	59.3 Å²	59.3	3%	0.031	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	133.5	-174.7	133.7	75.6	0	0	0	107.6	E90 V91 A107 F124 W136	E90-L105 CarbonylContact C-O 3.25Å; E90-L105 WeakPolarHBondContact CA-O 3.28Å; V91-L105 HydrophobicContact CB-CD2 3.79Å; V91-L105 HydrophobicContact CB-CG 4.06Å; V91-L105 HydrophobicContact CG1-CD2 4.05Å; V91-L105 PolarHBondContact N-O 3.1Å; V91-L105 PolarHBondContact O-N 3.38Å; L105-A107 HydrophobicContact CD1-CB 4.05Å; L105-A107 HydrophobicContact CD2-CB 4.25Å; L105-A107 HydrophobicContact CG-CB 4.03Å; L105-A107 PolarHBondContact O-N 3.2Å; L105-F124 HydrophobicContact CD2-CE2 3.8Å; L105-F124 HydrophobicContact CD2-CZ 3.56Å; L105-W136 HydrophobicContact CD1-CD2 3.94Å; L105-W136 HydrophobicContact CD1-CE3 3.84Å; L105-W136 HydrophobicContact CD1-CH2 3.35Å; L105-W136 HydrophobicContact CD1-CZ2 3.46Å; L105-W136 VanDerWaalsContact CD1-CZ2 3.46Å; L105-W136 HydrophobicContact CD1-CZ3 3.54Å; L105-W136 HydrophobicContact CD2-CD2 3.95Å; L105-W136 HydrophobicContact CD2-CE3 4.36Å; L105-W136 HydrophobicContact CD2-CG 4.11Å
106	Q	93.4	Very high	92.8	Very high	106 Å²	106	58.5 Å²	58.5	50%	0.495	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	95.2	166.8	-171.1	67.8	30.6	0	0	108.9	D88 E90 H108	D88-Q106 PolarHBondContact O-NE2 2.99Å; E90-Q106 VanDerWaalsContact CG-OE1 3.24Å; Q106-H108 PolarHBondContact NE2-O 2.91Å
107	A	92.9	Very high	93	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.008	29%	0.293	C	S	.	.			trans	-82.3	-42.2	-174.1	0	0	0	0	0	112.2	G89 V91 L105 K134 W136	G89-A107 PolarHBondContact O-N 3.15Å; V91-A107 HydrophobicContact CB-CB 4.35Å; V91-A107 HydrophobicContact CG2-CB 3.71Å; L105-A107 HydrophobicContact CD1-CB 4.05Å; L105-A107 HydrophobicContact CD2-CB 4.25Å; L105-A107 HydrophobicContact CG-CB 4.03Å; L105-A107 PolarHBondContact O-N 3.2Å; A107-K134 WeakPolarHBondContact O-CD 3.22Å; A107-K134 VanDerWaalsContact O-CE 3.31Å; A107-K134 WeakPolarHBondContact O-CE 3.34Å; A107-K134 PolarHBondContact O-NZ 3.13Å; A107-W136 HydrophobicContact CB-CZ2 4.28Å
108	H	94.3	Very high	93.1	Very high	4 Å²	4	54.7 Å²	54.7	2%	0.019	27%	0.27	C	S	.	.			trans	-137.8	162.7	-173.6	-63	-79.8	0	0	0	110.7	G89 Q106 G110 T126 G128 D130 T132	G89-H108 WeakPolarHBondContact CA-O 3.41Å; G89-H108 PolarHBondContact O-N 2.96Å; Q106-H108 PolarHBondContact NE2-O 2.91Å; H108-G110 VanDerWaalsContact C-N 3.31Å; H108-T126 WeakPolarHBondContact NE2-CB 3.24Å; H108-T126 PolarHBondContact NE2-OG1 2.74Å; H108-G128 PolarHBondContact CE1-N 3.49Å; H108-D130 IonicContact CE1-OD1 3.57Å; H108-D130 IonicContact CE1-OD2 3.96Å; H108-D130 IonicContact CG-OD1 2.72Å; H108-D130 IonicContact CG-OD2 2.77Å; H108-D130 VanDerWaalsContact ND1-CG 3.26Å; H108-D130 IonicContact ND1-OD1 3.93Å; H108-D130 PolarHBondContact ND1-OD1 3.27Å; H108-D130 IonicContact ND1-OD2 2.9Å; H108-D130 PolarHBondContact ND1-OD2 3.16Å; H108-T132 PolarHBondContact CE1-OG1 2.58Å; H108-T132 PolarHBondContact ND1-OG1 3.42Å
109	E	90.2	Very high	93	Very high	188 Å²	188	50 Å²	50	88%	0.879	25%	0.251	S	S	*	.	S	Bend	trans	-80.7	-14.7	173.5	-67.4	-173.8	168	0	0	112.9
110	G	90.7	Very high	93	Very high	20 Å²	20	47.3 Å²	47.3	21%	0.206	24%	0.24	C	C	.	.	S	Bend	trans	-135.3	-155.9	178.9	0	0	0	0	0	112.2	C87 G89 H108 V112	C87-G110 CarbonylContact O-C 3.57Å; G89-G110 WeakPolarHBondContact CA-O 3.35Å; G89-G110 PolarHBondContact N-O 3.48Å; H108-G110 VanDerWaalsContact C-N 3.31Å; G110-V112 PolarHBondContact O-N 3.27Å
111	F	94.1	Very high	92.9	Very high	82 Å²	82	42.1 Å²	42.1	36%	0.36	22%	0.217	S	C	.	.			trans	-64.2	131	-166.2	-68.1	15.6	0	0	0	111.9	C87 R113 G128 D129	C87-F111 HydrophobicContact CB-CD1 3.9Å; C87-F111 HydrophobicContact CB-CD2 4.43Å; C87-F111 HydrophobicContact CB-CE1 3.84Å; C87-F111 HydrophobicContact CB-CE2 4.4Å; C87-F111 HydrophobicContact CB-CG 4.18Å; C87-F111 HydrophobicContact CB-CZ 4.1Å; C87-F111 VanDerWaalsContact O-CA 3.26Å; C87-F111 WeakPolarHBondContact O-CA 3.44Å; C87-F111 WeakPolarHBondContact O-CD1 3.44Å; C87-F111 PolarHBondContact O-N 2.94Å; F111-R113 PolarHBondContact O-N 3.4Å; F111-R113 VanDerWaalsContact O-N 3.11Å; F111-G128 VanDerWaalsContact O-CA 3.29Å; F111-G128 WeakPolarHBondContact O-CA 3.09Å; F111-D129 PolarHBondContact O-N 2.83Å
112	V	95.9	Very high	92.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	98.8	167.5	-169.7	0	0	0	0	108.4	N70 C71 S86 V91 G110 I127	N70-V112 PolarHBondContact ND2-O 3.14Å; C71-V112 PolarHBondContact SG-O 3.02Å; S86-V112 WeakPolarHBondContact O-CG2 3.42Å; S86-V112 PolarHBondContact O-N 3.07Å; S86-V112 VanDerWaalsContact O-N 3.15Å; V91-V112 HydrophobicContact CG2-CG1 4.09Å; V91-V112 HydrophobicContact CG2-CG2 3.91Å; G110-V112 PolarHBondContact O-N 3.27Å; V112-I127 CarbonylContact C-O 3.56Å; V112-I127 WeakPolarHBondContact CA-O 3.17Å
113	R	93.9	Very high	92.9	Very high	94 Å²	94	39.5 Å²	39.5	36%	0.355	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	-41.2	-176.5	-67.5	-66.2	-178.8	178.1	-6.9	112.6	F111 I127 D129	F111-R113 PolarHBondContact O-N 3.4Å; F111-R113 VanDerWaalsContact O-N 3.11Å; R113-I127 HydrophobicContact CB-CG2 4.34Å; R113-I127 PolarHBondContact N-O 3.28Å; R113-D129 VanDerWaalsContact CG-OD1 3.31Å; R113-D129 WeakPolarHBondContact CG-OD1 3.47Å; R113-D129 IonicContact CZ-OD1 2.99Å; R113-D129 IonicContact CZ-OD2 3.52Å; R113-D129 IonicContact NE-OD1 3.9Å; R113-D129 PolarHBondContact NE-OD1 3.44Å; R113-D129 IonicContact NE-OD2 2.76Å; R113-D129 IonicContact NH2-OD1 3.37Å; R113-D129 PolarHBondContact NH2-OD1 2.8Å; R113-D129 IonicContact NH2-OD2 3.44Å; R113-D129 PolarHBondContact NH2-OD2 2.87Å
114	G	93.2	Very high	93.1	Very high	6 Å²	6	38.1 Å²	38.1	6%	0.062	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	147.9	-174.4	0	0	0	0	0	111.5	I127	G114-I127 PolarHBondContact O-N 3.22Å
115	M	95.8	Very high	93.3	Very high	8 Å²	8	35.2 Å²	35.2	4%	0.039	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	142.3	174.5	-179.6	171.7	49.8	0	0	109.5	A73 L83 V91 F124 F125 T126	A73-M115 HydrophobicContact CB-CB 4.37Å; A73-M115 HydrophobicContact CB-CE 4.01Å; A73-M115 HydrophobicContact CB-CG 3.99Å; L83-M115 HydrophobicContact CB-CE 3.46Å; L83-M115 VanDerWaalsContact CB-CE 3.46Å; L83-M115 HydrophobicContact CB-SD 3.6Å; L83-M115 VanDerWaalsContact CB-SD 3.6Å; L83-M115 HydrophobicContact CD2-SD 3.84Å; L83-M115 HydrophobicContact CG-SD 4.39Å; V91-M115 HydrophobicContact CG1-CE 4.46Å; V91-M115 HydrophobicContact CG1-SD 3.59Å; V91-M115 VanDerWaalsContact CG1-SD 3.59Å; V91-M115 HydrophobicContact CG2-SD 4.45Å; M115-F124 HydrophobicContact CG-CD2 4.5Å; M115-F124 HydrophobicContact SD-CD2 4.33Å; M115-F125 WeakPolarHBondContact CA-O 3.42Å; M115-F125 WeakPolarHBondContact CG-O 3.45Å; M115-T126 HydrophobicContact CG-CG2 4.18Å; M115-T126 HydrophobicContact SD-CG2 4.24Å
116	V	95.9	Very high	93.4	Very high	16 Å²	16	35 Å²	35	10%	0.097	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	143.2	173.9	75.9	0	0	0	0	110.6	F124 F125 L162 H164	V116-F124 CarbonylContact O-C 3.55Å; V116-F124 WeakPolarHBondContact O-CA 3.42Å; V116-F124 WeakPolarHBondContact O-CB 3.32Å; V116-F125 HydrophobicContact CG1-CB 4.25Å; V116-F125 HydrophobicContact CG1-CD2 4.47Å; V116-F125 PolarHBondContact N-O 3Å; V116-F125 PolarHBondContact O-N 3.49Å; V116-L162 HydrophobicContact CB-CD2 4.43Å; V116-L162 HydrophobicContact CB-CG 4.17Å; V116-L162 HydrophobicContact CG1-CD1 4.15Å; V116-L162 HydrophobicContact CG1-CD2 3.85Å; V116-L162 HydrophobicContact CG1-CG 3.63Å; V116-H164 HydrophobicContact CB-CB 4.38Å; V116-H164 HydrophobicContact CG1-CB 3.74Å; V116-H164 HydrophobicContact CG2-CB 3.69Å
117	V	95.7	Very high	93.6	Very high	8 Å²	8	29.9 Å²	29.9	5%	0.048	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	136.3	171.4	-175.4	0	0	0	0	108.2	A73 P76 L83 F124	A73-V117 HydrophobicContact CB-CG2 4.31Å; P76-V117 HydrophobicContact CG-CG1 4.37Å; L83-V117 HydrophobicContact CD1-CG2 3.45Å; L83-V117 VanDerWaalsContact CD1-CG2 3.45Å; L83-V117 HydrophobicContact CD2-CG2 4.12Å; L83-V117 HydrophobicContact CG-CG2 4.36Å; V117-F124 HydrophobicContact CG2-CB 4.35Å
118	R	94.3	Very high	93.6	Very high	40 Å²	40	29.9 Å²	29.9	15%	0.151	15%	0.151	C	C	.	.			trans	-57.2	146.1	175	-176.5	178.2	169.9	123.9	21.6	110.8	P76 C120 G121 S123 E183	P76-R118 WeakPolarHBondContact CG-O 3.48Å; R118-C120 WeakPolarHBondContact CD-SG 3.15Å; R118-C120 PolarHBondContact NE-SG 2.78Å; R118-C120 PolarHBondContact O-N 3.03Å; R118-G121 PolarHBondContact O-N 3.49Å; R118-S123 WeakPolarHBondContact CB-O 3.33Å; R118-S123 VanDerWaalsContact CD-OG 3.27Å; R118-S123 WeakPolarHBondContact CD-OG 3.49Å; R118-S123 PolarHBondContact N-O 2.99Å; R118-E183 VanDerWaalsContact CD-OE1 3.3Å; R118-E183 WeakPolarHBondContact CD-OE1 3.13Å; R118-E183 IonicContact CZ-OE1 3.58Å; R118-E183 IonicContact CZ-OE2 3.92Å; R118-E183 IonicContact NE-OE1 3.91Å; R118-E183 PolarHBondContact NE-OE1 3.43Å; R118-E183 IonicContact NE-OE2 3.91Å; R118-E183 IonicContact NH1-OE1 2.81Å; R118-E183 PolarHBondContact NH1-OE1 3.43Å; R118-E183 IonicContact NH1-OE2 3.99Å; R118-E183 PolarHBondContact NH1-OE2 2.92Å; R118-E183 IonicContact NH2-OE1 3.9Å; R118-E183 IonicContact NH2-OE2 3.98Å; R118-E183 PolarHBondContact NH2-OE2 2.76Å
119	H	89.2	Confident	93.5	Very high	40 Å²	40	32.1 Å²	32.1	19%	0.185	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-32.6	178.4	71.1	106.6	0	0	0	114.7	H164 Q166 K167	H119-H164 AromaticContact CD2-CE1 3.32Å; H119-H164 PolarHBondContact CD2-CE1 3.04Å; H119-H164 AromaticContact CD2-NE2 4Å; H119-Q166 WeakPolarHBondContact CB-O 3.49Å; H119-K167 PolarHBondContact CE1-O 3.06Å; H119-K167 PolarHBondContact ND1-O 2.86Å
120	C	89.4	Confident	93.6	Very high	20 Å²	20	25.3 Å²	25.3	14%	0.135	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-16.6	177.9	68.3	0	0	0	0	114.7	R77 R118 T122	R77-C120 WeakPolarHBondContact CD-O 3.12Å; R77-C120 PolarHBondContact NE-O 3.17Å; R77-C120 VanDerWaalsContact NE-O 3.16Å; R77-C120 PolarHBondContact NH1-O 3.42Å; R77-C120 VanDerWaalsContact NH2-CA 3.31Å; R118-C120 WeakPolarHBondContact CD-SG 3.15Å; R118-C120 PolarHBondContact NE-SG 2.78Å; R118-C120 PolarHBondContact O-N 3.03Å; C120-T122 VanDerWaalsContact C-N 3.31Å; C120-T122 PolarHBondContact O-N 3.15Å; C120-T122 PolarHBondContact SG-OG1 3.42Å
121	G	89.5	Confident	93.7	Very high	6 Å²	6	28.8 Å²	28.8	6%	0.062	14%	0.142	C	C	.	.	S	Bend	trans	81.6	-0.9	179	0	0	0	0	0	115.9	H75 R118 S123	H75-G121 VanDerWaalsContact CE1-CA 3.41Å; H75-G121 WeakPolarHBondContact CE1-CA 3.41Å; H75-G121 VanDerWaalsContact NE2-CA 3.27Å; H75-G121 WeakPolarHBondContact NE2-CA 3.13Å; H75-G121 PolarHBondContact NE2-O 2.81Å; H75-G121 VanDerWaalsContact NE2-O 3.1Å; R118-G121 PolarHBondContact O-N 3.49Å; G121-S123 VanDerWaalsContact C-N 3.34Å
122	T	91.9	Very high	93.7	Very high	86 Å²	86	25.5 Å²	25.5	53%	0.528	13%	0.129	S	C	.	.	S	Bend	trans	-80.9	-17.2	-177.9	62.1	0	0	0	0	113.5	C120 M138	C120-T122 VanDerWaalsContact C-N 3.31Å; C120-T122 PolarHBondContact O-N 3.15Å; C120-T122 PolarHBondContact SG-OG1 3.42Å; T122-M138 VanDerWaalsContact C-CB 3.47Å; T122-M138 WeakPolarHBondContact O-CB 3.47Å; T122-M138 PolarHBondContact O-N 2.99Å
123	S	93.9	Very high	93.7	Very high	4 Å²	4	25.6 Å²	25.6	3%	0.028	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	168.4	-176.2	51.7	0	0	0	0	111.1	R118 G121 H135 W136	R118-S123 WeakPolarHBondContact CB-O 3.33Å; R118-S123 VanDerWaalsContact CD-OG 3.27Å; R118-S123 WeakPolarHBondContact CD-OG 3.49Å; R118-S123 PolarHBondContact N-O 2.99Å; G121-S123 VanDerWaalsContact C-N 3.34Å; S123-H135 WeakPolarHBondContact CB-NE2 3.36Å; S123-H135 PolarHBondContact OG-NE2 2.89Å; S123-W136 CarbonylContact C-O 3.59Å; S123-W136 WeakPolarHBondContact CA-O 3.49Å; S123-W136 WeakPolarHBondContact CB-O 3.34Å
124	F	95.8	Very high	93.8	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	159	177.3	63.8	-85.3	0	0	0	110.7	L83 V91 L105 M115 V116 V117 T126 W136 M138	L83-F124 HydrophobicContact CD2-CB 3.86Å; L83-F124 HydrophobicContact CD2-CD1 3.74Å; L83-F124 HydrophobicContact CD2-CD2 3.67Å; L83-F124 HydrophobicContact CD2-CE1 4.15Å; L83-F124 HydrophobicContact CD2-CE2 4.09Å; L83-F124 HydrophobicContact CD2-CG 3.48Å; L83-F124 VanDerWaalsContact CD2-CG 3.48Å; L83-F124 HydrophobicContact CD2-CZ 4.3Å; V91-F124 HydrophobicContact CG1-CE2 4.09Å; L105-F124 HydrophobicContact CD2-CE2 3.8Å; L105-F124 HydrophobicContact CD2-CZ 3.56Å; M115-F124 HydrophobicContact CG-CD2 4.5Å; M115-F124 HydrophobicContact SD-CD2 4.33Å; V116-F124 CarbonylContact O-C 3.55Å; V116-F124 WeakPolarHBondContact O-CA 3.42Å; V116-F124 WeakPolarHBondContact O-CB 3.32Å; V117-F124 HydrophobicContact CG2-CB 4.35Å; F124-T126 HydrophobicContact CD2-CG2 3.76Å; F124-T126 HydrophobicContact CE2-CG2 3.67Å; F124-W136 HydrophobicContact CD1-CB 4.01Å; F124-W136 HydrophobicContact CD2-CB 4.08Å; F124-W136 HydrophobicContact CD2-CG 4.46Å; F124-W136 HydrophobicContact CE1-CB 3.52Å; F124-W136 HydrophobicContact CE1-CG 4.47Å; F124-W136 HydrophobicContact CE2-CB 3.59Å; F124-W136 AromaticContact CE2-CD1 3.63Å; F124-W136 AromaticContact CE2-CG 3.77Å; F124-W136 HydrophobicContact CE2-CG 3.77Å; F124-W136 HydrophobicContact CG-CB 4.27Å; F124-W136 HydrophobicContact CZ-CB 3.3Å; F124-W136 AromaticContact CZ-CG 3.79Å; F124-W136 HydrophobicContact CZ-CG 3.79Å; F124-W136 PolarHBondContact N-O 2.69Å; F124-W136 PolarHBondContact O-N 3.36Å; F124-M138 HydrophobicContact CD1-SD 3.75Å; F124-M138 HydrophobicContact CE1-SD 4.15Å
125	F	95.9	Very high	93.9	Very high	5 Å²	5	24.1 Å²	24.1	2%	0.022	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	140.9	178.6	-65.7	-86.1	0	0	0	109.5	M115 V116 I133 K134 H135 L162 H164 F171 E183	M115-F125 WeakPolarHBondContact CA-O 3.42Å; M115-F125 WeakPolarHBondContact CG-O 3.45Å; V116-F125 HydrophobicContact CG1-CB 4.25Å; V116-F125 HydrophobicContact CG1-CD2 4.47Å; V116-F125 PolarHBondContact N-O 3Å; V116-F125 PolarHBondContact O-N 3.49Å; F125-I133 HydrophobicContact CD1-CG2 4.33Å; F125-K134 WeakPolarHBondContact CA-O 3.41Å; F125-H135 HydrophobicContact CD1-CB 3.81Å; F125-H135 AromaticContact CD1-CD2 3.72Å; F125-H135 HydrophobicContact CE1-CB 3.57Å; F125-H135 AromaticContact CE1-CD2 3.26Å; F125-H135 WeakPolarHBondContact CE1-CD2 3.5Å; F125-H135 AromaticContact CE1-CG 3.47Å; F125-H135 VanDerWaalsContact CE1-CG 3.47Å; F125-H135 AromaticContact CE2-CD2 3.84Å; F125-H135 HydrophobicContact CZ-CB 4.46Å; F125-H135 AromaticContact CZ-CD2 3.3Å; F125-H135 WeakPolarHBondContact CZ-CD2 3.25Å; F125-H135 AromaticContact CZ-CG 3.88Å; F125-H135 AromaticContact CZ-NE2 3.64Å; F125-L162 HydrophobicContact CB-CD2 3.62Å; F125-L162 WeakPolarHBondContact O-CD2 3.05Å; F125-H164 AromaticContact CE2-CD2 3.94Å; F125-F171 HydrophobicContact CE1-CD1 4.49Å; F125-F171 HydrophobicContact CE1-CE1 4.08Å; F125-F171 HydrophobicContact CE1-CZ 4.45Å; F125-F171 HydrophobicContact CE2-CD1 4.45Å; F125-F171 HydrophobicContact CZ-CD1 4.29Å; F125-F171 HydrophobicContact CZ-CE1 4.23Å; F125-E183 HydrophobicContact CE2-CG 4.18Å; F125-E183 WeakPolarHBondContact CE2-OE1 3.48Å; F125-E183 HydrophobicContact CZ-CB 4.29Å; F125-E183 HydrophobicContact CZ-CG 3.69Å
126	T	96.4	Very high	93.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	149.3	176.3	62.9	0	0	0	0	110	V91 H108 M115 F124 I133 K134 W136	V91-T126 HydrophobicContact CG2-CG2 4.01Å; H108-T126 WeakPolarHBondContact NE2-CB 3.24Å; H108-T126 PolarHBondContact NE2-OG1 2.74Å; M115-T126 HydrophobicContact CG-CG2 4.18Å; M115-T126 HydrophobicContact SD-CG2 4.24Å; F124-T126 HydrophobicContact CD2-CG2 3.76Å; F124-T126 HydrophobicContact CE2-CG2 3.67Å; T126-I133 WeakPolarHBondContact O-CA 3.46Å; T126-K134 PolarHBondContact N-O 2.88Å; T126-K134 PolarHBondContact O-N 3.1Å; T126-W136 PolarHBondContact OG1-NE1 2.87Å; T126-W136 VanDerWaalsContact OG1-NE1 3.1Å
127	I	95.9	Very high	93.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	135.5	176.4	-68	-166	0	0	0	109.4	V112 R113 G114 I133 F159 L162 T173	V112-I127 CarbonylContact C-O 3.56Å; V112-I127 WeakPolarHBondContact CA-O 3.17Å; R113-I127 HydrophobicContact CB-CG2 4.34Å; R113-I127 PolarHBondContact N-O 3.28Å; G114-I127 PolarHBondContact O-N 3.22Å; I127-I133 HydrophobicContact CD1-CG1 4.18Å; I127-I133 HydrophobicContact CG1-CG1 4.08Å; I127-F159 HydrophobicContact CD1-CB 3.76Å; I127-F159 HydrophobicContact CD1-CG 4.32Å; I127-F159 HydrophobicContact CG2-CB 3.33Å; I127-F159 HydrophobicContact CG2-CD2 4.47Å; I127-F159 HydrophobicContact CG2-CG 4.35Å; I127-F159 VanDerWaalsContact CG2-O 3.31Å; I127-F159 WeakPolarHBondContact CG2-O 3.41Å; I127-L162 HydrophobicContact CD1-CB 3.58Å; I127-L162 HydrophobicContact CD1-CD1 4.08Å; I127-L162 HydrophobicContact CD1-CD2 4.04Å; I127-L162 HydrophobicContact CD1-CG 4.08Å; I127-L162 HydrophobicContact CG1-CB 4.07Å; I127-L162 HydrophobicContact CG1-CD2 3.73Å; I127-L162 HydrophobicContact CG1-CG 4.33Å; I127-T173 HydrophobicContact CD1-CG2 3.89Å
128	G	93.8	Very high	93.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	169.8	177.7	0	0	0	0	0	115.2	H108 F111 D130 K131 T132	H108-G128 PolarHBondContact CE1-N 3.49Å; F111-G128 VanDerWaalsContact O-CA 3.29Å; F111-G128 WeakPolarHBondContact O-CA 3.09Å; G128-D130 PolarHBondContact O-N 2.89Å; G128-K131 PolarHBondContact O-N 2.81Å; G128-T132 PolarHBondContact N-O 2.91Å
129	D	91.8	Very high	92.9	Very high	52 Å²	52	33.7 Å²	33.7	28%	0.278	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-16.3	170.2	-80.4	-3.8	0	0	0	113	F111 R113 K131	F111-D129 PolarHBondContact O-N 2.83Å; R113-D129 VanDerWaalsContact CG-OD1 3.31Å; R113-D129 WeakPolarHBondContact CG-OD1 3.47Å; R113-D129 IonicContact CZ-OD1 2.99Å; R113-D129 IonicContact CZ-OD2 3.52Å; R113-D129 IonicContact NE-OD1 3.9Å; R113-D129 PolarHBondContact NE-OD1 3.44Å; R113-D129 IonicContact NE-OD2 2.76Å; R113-D129 IonicContact NH2-OD1 3.37Å; R113-D129 PolarHBondContact NH2-OD1 2.8Å; R113-D129 IonicContact NH2-OD2 3.44Å; R113-D129 PolarHBondContact NH2-OD2 2.87Å; D129-K131 PolarHBondContact O-N 3.03Å; D129-K131 VanDerWaalsContact O-N 3.09Å
130	D	92.4	Very high	92.5	Very high	45 Å²	45	34.9 Å²	34.9	24%	0.241	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	4.3	172.5	65.3	4.7	0	0	0	113.8	H108 G128 T132	H108-D130 IonicContact CE1-OD1 3.57Å; H108-D130 IonicContact CE1-OD2 3.96Å; H108-D130 IonicContact CG-OD1 2.72Å; H108-D130 IonicContact CG-OD2 2.77Å; H108-D130 VanDerWaalsContact ND1-CG 3.26Å; H108-D130 IonicContact ND1-OD1 3.93Å; H108-D130 PolarHBondContact ND1-OD1 3.27Å; H108-D130 IonicContact ND1-OD2 2.9Å; H108-D130 PolarHBondContact ND1-OD2 3.16Å; G128-D130 PolarHBondContact O-N 2.89Å; D130-T132 HydrophobicContact CB-CG2 4.5Å; D130-T132 PolarHBondContact O-N 3.41Å; D130-T132 WeakPolarHBondContact OD1-CB 3.39Å; D130-T132 PolarHBondContact OD1-N 3.44Å; D130-T132 PolarHBondContact OD1-OG1 2.99Å; D130-T132 PolarHBondContact OD2-OG1 3.37Å; D130-T132 VanDerWaalsContact OD2-OG1 3.04Å
131	K	93.1	Very high	92	Very high	92 Å²	92	36.2 Å²	36.2	40%	0.4	19%	0.193	S	C	.	.	S	Bend	trans	64.1	18.3	-179	-47.4	172.5	-173.8	174.2	0	113.1	G128 D129 G155 V158	G128-K131 PolarHBondContact O-N 2.81Å; D129-K131 PolarHBondContact O-N 3.03Å; D129-K131 VanDerWaalsContact O-N 3.09Å; K131-G155 WeakPolarHBondContact O-CA 3.18Å; K131-G155 PolarHBondContact O-N 2.96Å; K131-V158 HydrophobicContact CG-CG2 3.84Å
132	T	94.8	Very high	91.4	Very high	13 Å²	13	37.8 Å²	37.8	8%	0.08	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	145.1	178.6	70.8	0	0	0	0	111.5	H108 G128 D130 K134 T152 I153 L154	H108-T132 PolarHBondContact CE1-OG1 2.58Å; H108-T132 PolarHBondContact ND1-OG1 3.42Å; G128-T132 PolarHBondContact N-O 2.91Å; D130-T132 HydrophobicContact CB-CG2 4.5Å; D130-T132 PolarHBondContact O-N 3.41Å; D130-T132 WeakPolarHBondContact OD1-CB 3.39Å; D130-T132 PolarHBondContact OD1-N 3.44Å; D130-T132 PolarHBondContact OD1-OG1 2.99Å; D130-T132 PolarHBondContact OD2-OG1 3.37Å; D130-T132 VanDerWaalsContact OD2-OG1 3.04Å; T132-K134 WeakPolarHBondContact OG1-CE 3.14Å; T132-T152 HydrophobicContact CG2-CG2 4.24Å; T132-I153 WeakPolarHBondContact CA-O 3.42Å; T132-L154 HydrophobicContact CG2-CD1 3.9Å
133	I	95.6	Very high	90.4	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.01	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	117.6	162.9	-57.4	158.2	0	0	0	105.9	F125 T126 I127 I153 F159 F171 T173 W181	F125-I133 HydrophobicContact CD1-CG2 4.33Å; T126-I133 WeakPolarHBondContact O-CA 3.46Å; I127-I133 HydrophobicContact CD1-CG1 4.18Å; I127-I133 HydrophobicContact CG1-CG1 4.08Å; I133-I153 HydrophobicContact CB-CB 4.29Å; I133-I153 PolarHBondContact N-O 2.9Å; I133-I153 PolarHBondContact O-N 3.04Å; I133-F159 HydrophobicContact CD1-CD2 4.14Å; I133-F159 HydrophobicContact CD1-CE1 4.24Å; I133-F159 HydrophobicContact CD1-CE2 3.66Å; I133-F159 HydrophobicContact CD1-CZ 3.72Å; I133-F159 HydrophobicContact CG1-CD2 3.81Å; I133-F159 HydrophobicContact CG1-CE2 3.68Å; I133-F159 HydrophobicContact CG1-CG 4.49Å; I133-F159 HydrophobicContact CG1-CZ 4.26Å; I133-F171 HydrophobicContact CD1-CE2 4.37Å; I133-F171 HydrophobicContact CG2-CE2 4.23Å; I133-F171 HydrophobicContact CG2-CZ 4.46Å; I133-T173 HydrophobicContact CD1-CG2 3.58Å; I133-T173 HydrophobicContact CG1-CG2 4.3Å; I133-W181 HydrophobicContact CD1-CZ2 4.22Å
134	K	95.3	Very high	89.3	Confident	41 Å²	41	49 Å²	49	18%	0.178	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	135.3	178.7	-66	-177.2	-174.8	-178.4	0	110.3	A107 F125 T126 T132 W136 P149 T152	A107-K134 WeakPolarHBondContact O-CD 3.22Å; A107-K134 VanDerWaalsContact O-CE 3.31Å; A107-K134 WeakPolarHBondContact O-CE 3.34Å; A107-K134 PolarHBondContact O-NZ 3.13Å; F125-K134 WeakPolarHBondContact CA-O 3.41Å; T126-K134 PolarHBondContact N-O 2.88Å; T126-K134 PolarHBondContact O-N 3.1Å; T132-K134 WeakPolarHBondContact OG1-CE 3.14Å; K134-W136 HydrophobicContact CB-CZ2 4.16Å; K134-W136 HydrophobicContact CD-CZ2 3.75Å; K134-P149 HydrophobicContact CB-CB 4.19Å; K134-P149 HydrophobicContact CD-CG 4.43Å; K134-P149 HydrophobicContact CG-CB 4.48Å; K134-T152 HydrophobicContact CG-CG2 4.05Å
135	H	94.8	Very high	88.6	Confident	29 Å²	29	55.3 Å²	55.3	13%	0.134	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	125.1	176.9	-178.7	-138.3	0	0	0	109.6	S123 F125 P149 L150 N151	S123-H135 WeakPolarHBondContact CB-NE2 3.36Å; S123-H135 PolarHBondContact OG-NE2 2.89Å; F125-H135 HydrophobicContact CD1-CB 3.81Å; F125-H135 AromaticContact CD1-CD2 3.72Å; F125-H135 HydrophobicContact CE1-CB 3.57Å; F125-H135 AromaticContact CE1-CD2 3.26Å; F125-H135 WeakPolarHBondContact CE1-CD2 3.5Å; F125-H135 AromaticContact CE1-CG 3.47Å; F125-H135 VanDerWaalsContact CE1-CG 3.47Å; F125-H135 AromaticContact CE2-CD2 3.84Å; F125-H135 HydrophobicContact CZ-CB 4.46Å; F125-H135 AromaticContact CZ-CD2 3.3Å; F125-H135 WeakPolarHBondContact CZ-CD2 3.25Å; F125-H135 AromaticContact CZ-CG 3.88Å; F125-H135 AromaticContact CZ-NE2 3.64Å; H135-P149 CarbonylContact O-C 3.53Å; H135-P149 WeakPolarHBondContact O-CA 3.39Å; H135-L150 PolarHBondContact O-N 3.42Å; H135-N151 HydrophobicContact CB-CB 4.11Å; H135-N151 PolarHBondContact N-O 2.99Å
136	W	94.4	Very high	87.6	Confident	17 Å²	17	63 Å²	63	6%	0.064	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	143.8	-173.3	-62.4	97.3	0	0	0	111.3	L105 A107 S123 F124 T126 K134 E148 P149	L105-W136 HydrophobicContact CD1-CD2 3.94Å; L105-W136 HydrophobicContact CD1-CE3 3.84Å; L105-W136 HydrophobicContact CD1-CH2 3.35Å; L105-W136 HydrophobicContact CD1-CZ2 3.46Å; L105-W136 VanDerWaalsContact CD1-CZ2 3.46Å; L105-W136 HydrophobicContact CD1-CZ3 3.54Å; L105-W136 HydrophobicContact CD2-CD2 3.95Å; L105-W136 HydrophobicContact CD2-CE3 4.36Å; L105-W136 HydrophobicContact CD2-CG 4.11Å; A107-W136 HydrophobicContact CB-CZ2 4.28Å; S123-W136 CarbonylContact C-O 3.59Å; S123-W136 WeakPolarHBondContact CA-O 3.49Å; S123-W136 WeakPolarHBondContact CB-O 3.34Å; F124-W136 HydrophobicContact CD1-CB 4.01Å; F124-W136 HydrophobicContact CD2-CB 4.08Å; F124-W136 HydrophobicContact CD2-CG 4.46Å; F124-W136 HydrophobicContact CE1-CB 3.52Å; F124-W136 HydrophobicContact CE1-CG 4.47Å; F124-W136 HydrophobicContact CE2-CB 3.59Å; F124-W136 AromaticContact CE2-CD1 3.63Å; F124-W136 AromaticContact CE2-CG 3.77Å; F124-W136 HydrophobicContact CE2-CG 3.77Å; F124-W136 HydrophobicContact CG-CB 4.27Å; F124-W136 HydrophobicContact CZ-CB 3.3Å; F124-W136 AromaticContact CZ-CG 3.79Å; F124-W136 HydrophobicContact CZ-CG 3.79Å; F124-W136 PolarHBondContact N-O 2.69Å; F124-W136 PolarHBondContact O-N 3.36Å; T126-W136 PolarHBondContact OG1-NE1 2.87Å; T126-W136 VanDerWaalsContact OG1-NE1 3.1Å; K134-W136 HydrophobicContact CB-CZ2 4.16Å; K134-W136 HydrophobicContact CD-CZ2 3.75Å; W136-E148 VanDerWaalsContact CZ3-C 3.45Å; W136-P149 HydrophobicContact CD2-CB 4.15Å; W136-P149 HydrophobicContact CE3-CB 4.13Å; W136-P149 HydrophobicContact CH2-CB 3.87Å; W136-P149 HydrophobicContact CH2-CG 4.1Å; W136-P149 HydrophobicContact CZ2-CB 3.87Å; W136-P149 HydrophobicContact CZ2-CG 4.31Å; W136-P149 HydrophobicContact CZ3-CB 4Å; W136-P149 HydrophobicContact CZ3-CG 4.49Å; W136-P149 VanDerWaalsContact CZ3-N 3.31Å
137	K	92.6	Very high	86.9	Confident	106 Å²	106	66.9 Å²	66.9	46%	0.461	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	141.4	171.3	-162	-179.8	175.6	-160.4	0	110.3	R103 E139 L150	R103-K137 PolarHBondContact NH1-O 2.83Å; K137-E139 HydrophobicContact CD-CB 4.44Å; K137-E139 WeakPolarHBondContact CE-OE2 3.37Å; K137-E139 IonicContact NZ-OE2 3.94Å; K137-E139 PolarHBondContact NZ-OE2 2.91Å; K137-L150 HydrophobicContact CB-CD1 4.09Å; K137-L150 HydrophobicContact CB-CG 4.47Å
138	M	89.9	Confident	86.4	Confident	23 Å²	23	74 Å²	74	11%	0.113	38%	0.383	C	S	.	.	S	Bend	trans	-76.4	-24	-179.2	-166.5	61	-168.3	0	0	113.2	T81 L83 V93 R103 T122 F124	T81-M138 HydrophobicContact CG2-CE 3.2Å; L83-M138 HydrophobicContact CD1-CE 3.75Å; L83-M138 HydrophobicContact CD1-SD 4.33Å; L83-M138 HydrophobicContact CD2-SD 4.27Å; L83-M138 HydrophobicContact CG-CE 4.29Å; V93-M138 HydrophobicContact CG1-CE 3.45Å; V93-M138 VanDerWaalsContact CG1-CE 3.45Å; V93-M138 HydrophobicContact CG2-CE 4.29Å; R103-M138 PolarHBondContact NH1-O 3.15Å; R103-M138 PolarHBondContact NH2-O 3.41Å; T122-M138 VanDerWaalsContact C-CB 3.47Å; T122-M138 WeakPolarHBondContact O-CB 3.47Å; T122-M138 PolarHBondContact O-N 2.99Å; F124-M138 HydrophobicContact CD1-SD 3.75Å; F124-M138 HydrophobicContact CE1-SD 4.15Å
139	E	85.1	Confident	86.2	Confident	126 Å²	126	75.9 Å²	75.9	59%	0.589	40%	0.395	S	S	*	.	S	Bend	trans	-82.4	151.4	173.8	-67.6	174.5	166.3	0	0	110.9	R103 K137	R103-E139 VanDerWaalsContact CZ-O 3.24Å; R103-E139 PolarHBondContact NH1-O 2.9Å; R103-E139 PolarHBondContact NH2-O 3.43Å; K137-E139 HydrophobicContact CD-CB 4.44Å; K137-E139 WeakPolarHBondContact CE-OE2 3.37Å; K137-E139 IonicContact NZ-OE2 3.94Å; K137-E139 PolarHBondContact NZ-OE2 2.91Å
140	A	79.9	Confident	86.2	Confident	65 Å²	65	78.5 Å²	78.5	54%	0.537	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-74.9	149.9	-178.8	0	0	0	0	0	107.9	R103	R103-A140 VanDerWaalsContact CZ-N 3.31Å; R103-A140 VanDerWaalsContact NH2-CA 3.26Å
141	P	79.5	Confident	86.1	Confident	49 Å²	49	79.2 Å²	79.2	32%	0.318	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-57.7	160.2	171.2	-1.4	9.1	0	0	0	110.6	E145 E147	P141-E145 HydrophobicContact CB-CB 3.84Å; P141-E147 WeakPolarHBondContact CD-OE1 3.17Å; P141-E147 HydrophobicContact CG-CG 3.58Å
142	G	75.8	Confident	86.2	Confident	39 Å²	39	77.9 Å²	77.9	40%	0.402	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-57.8	156.2	167	0	0	0	0	0	110.8	G144 E145	G142-G144 PolarHBondContact O-N 3.26Å; G142-G144 VanDerWaalsContact O-N 3.08Å; G142-E145 PolarHBondContact N-OE2 3.29Å; G142-E145 PolarHBondContact O-N 2.99Å; G142-E145 VanDerWaalsContact O-N 3.16Å
143	Y	72.6	Confident	86.1	Confident	247 Å²	247	77.7 Å²	77.7	97%	0.969	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	117.9	176.1	-177.3	-91.4	0	0	0	110.3
144	G	70.9	Confident	86	Confident	77 Å²	77	84 Å²	84	79%	0.794	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.8	2.3	178.5	0	0	0	0	0	115.9	G142	G142-G144 PolarHBondContact O-N 3.26Å; G142-G144 VanDerWaalsContact O-N 3.08Å
145	E	79.5	Confident	85.7	Confident	133 Å²	133	82.6 Å²	82.6	62%	0.621	44%	0.441	S	S	*	.			trans	-87.8	139.2	170.7	-67	177.4	161.7	0	0	110.8	P141 G142	P141-E145 HydrophobicContact CB-CB 3.84Å; G142-E145 PolarHBondContact N-OE2 3.29Å; G142-E145 PolarHBondContact O-N 2.99Å; G142-E145 VanDerWaalsContact O-N 3.16Å
146	E	75.8	Confident	85.3	Confident	168 Å²	168	91.2 Å²	91.2	79%	0.785	48%	0.478	S	S	*	.			trans	-70.2	141.8	173.3	-65.4	-170.5	169	0	0	110.7	E148	E146-E148 PolarHBondContact O-N 2.89Å
147	E	80.8	Confident	85.1	Confident	81 Å²	81	92.4 Å²	92.4	38%	0.379	49%	0.491	S	S	.	.			trans	-77.9	88.3	179	-63.6	-151.9	146.8	0	0	110.7	R103 P141	R103-E147 WeakPolarHBondContact CD-OE1 3.25Å; P141-E147 WeakPolarHBondContact CD-OE1 3.17Å; P141-E147 HydrophobicContact CG-CG 3.58Å
148	E	85.9	Confident	85.1	Confident	149 Å²	149	90 Å²	90	70%	0.696	49%	0.485	S	S	*	.			trans	-98.8	144	174	-64.7	-170.2	158	0	0	112.4	W136 E146	W136-E148 VanDerWaalsContact CZ3-C 3.45Å; E146-E148 PolarHBondContact O-N 2.89Å
149	P	90.8	Very high	85.3	Confident	39 Å²	39	89.3 Å²	89.3	25%	0.253	48%	0.482	S	S	.	.			trans	-69.3	141.1	172.6	29	-32.8	0	0	0	110.3	K134 H135 W136 N151 T152	K134-P149 HydrophobicContact CB-CB 4.19Å; K134-P149 HydrophobicContact CD-CG 4.43Å; K134-P149 HydrophobicContact CG-CB 4.48Å; H135-P149 CarbonylContact O-C 3.53Å; H135-P149 WeakPolarHBondContact O-CA 3.39Å; W136-P149 HydrophobicContact CD2-CB 4.15Å; W136-P149 HydrophobicContact CE3-CB 4.13Å; W136-P149 HydrophobicContact CH2-CB 3.87Å; W136-P149 HydrophobicContact CH2-CG 4.1Å; W136-P149 HydrophobicContact CZ2-CB 3.87Å; W136-P149 HydrophobicContact CZ2-CG 4.31Å; W136-P149 HydrophobicContact CZ3-CB 4Å; W136-P149 HydrophobicContact CZ3-CG 4.49Å; W136-P149 VanDerWaalsContact CZ3-N 3.31Å; P149-N151 VanDerWaalsContact C-N 3.26Å; P149-N151 PolarHBondContact O-N 3.13Å; P149-T152 VanDerWaalsContact CG-OG1 3.24Å; P149-T152 WeakPolarHBondContact CG-OG1 3.49Å
150	L	90.3	Very high	85.6	Confident	107 Å²	107	85.4 Å²	85.4	56%	0.56	47%	0.467	S	S	*	.	S	Bend	trans	-60.4	-38.7	175.7	-68.9	173.2	0	0	0	112	H135 K137	H135-L150 PolarHBondContact O-N 3.42Å; K137-L150 HydrophobicContact CB-CD1 4.09Å; K137-L150 HydrophobicContact CB-CG 4.47Å
151	N	91.3	Very high	86.3	Confident	60 Å²	60	82.7 Å²	82.7	32%	0.321	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	142.2	177.2	-168.4	6.8	0	0	0	109.3	H135 P149	H135-N151 HydrophobicContact CB-CB 4.11Å; H135-N151 PolarHBondContact N-O 2.99Å; P149-N151 VanDerWaalsContact C-N 3.26Å; P149-N151 PolarHBondContact O-N 3.13Å
152	T	94.2	Very high	87	Confident	65 Å²	65	80.5 Å²	80.5	40%	0.399	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	116.3	174.5	-60.2	0	0	0	0	108.8	T132 K134 P149	T132-T152 HydrophobicContact CG2-CG2 4.24Å; K134-T152 HydrophobicContact CG-CG2 4.05Å; P149-T152 VanDerWaalsContact CG-OG1 3.24Å; P149-T152 WeakPolarHBondContact CG-OG1 3.49Å
153	I	93.7	Very high	88	Confident	9 Å²	9	79.7 Å²	79.7	5%	0.046	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	121.8	177.4	-57.2	170.9	0	0	0	107.9	T132 I133 F171 W181	T132-I153 WeakPolarHBondContact CA-O 3.42Å; I133-I153 HydrophobicContact CB-CB 4.29Å; I133-I153 PolarHBondContact N-O 2.9Å; I133-I153 PolarHBondContact O-N 3.04Å; I153-F171 HydrophobicContact CD1-CZ 4.36Å; I153-W181 HydrophobicContact CD1-CE3 4.33Å; I153-W181 HydrophobicContact CG2-CE3 4.41Å; I153-W181 HydrophobicContact CG2-CH2 3.94Å; I153-W181 HydrophobicContact CG2-CZ3 3.65Å
154	L	92.7	Very high	89.1	Confident	135 Å²	135	68.5 Å²	68.5	71%	0.707	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	119.3	177.3	-174.3	69.5	0	0	0	110.4	T132	T132-L154 HydrophobicContact CG2-CD1 3.9Å
155	G	88.7	Confident	90.3	Very high	11 Å²	11	64.9 Å²	64.9	11%	0.113	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-86	156.5	173.6	0	0	0	0	0	112.9	K131	K131-G155 WeakPolarHBondContact O-CA 3.18Å; K131-G155 PolarHBondContact O-N 2.96Å
156	K	87.8	Confident	90.8	Very high	210 Å²	210	63.3 Å²	63.3	91%	0.913	33%	0.328	S	S	*	.	S	Bend	trans	-73.5	-32.3	172.2	-61.9	-178	-178.3	176.7	0	112.2
157	A	90.3	Very high	91.6	Very high	41 Å²	41	62.1 Å²	62.1	34%	0.339	32%	0.321	S	S	.	.	S	Bend	trans	-125.9	167	-176.6	0	0	0	0	0	110.8	H176	A157-H176 HydrophobicContact CB-CB 4.27Å
158	V	91.8	Very high	92.2	Very high	55 Å²	55	62 Å²	62	33%	0.333	32%	0.322	S	S	.	.			trans	-69.8	136.4	174.8	-178.9	0	0	0	0	109.1	K131 G175	K131-V158 HydrophobicContact CG-CG2 3.84Å; V158-G175 WeakPolarHBondContact O-CA 3.29Å
159	F	93.4	Very high	92.5	Very high	10 Å²	10	56.4 Å²	56.4	4%	0.044	30%	0.302	C	S	.	.			trans	-98.5	137.5	173.8	-57.4	-75.2	0	0	0	109.5	I127 I133 C174 W181	I127-F159 HydrophobicContact CD1-CB 3.76Å; I127-F159 HydrophobicContact CD1-CG 4.32Å; I127-F159 HydrophobicContact CG2-CB 3.33Å; I127-F159 HydrophobicContact CG2-CD2 4.47Å; I127-F159 HydrophobicContact CG2-CG 4.35Å; I127-F159 VanDerWaalsContact CG2-O 3.31Å; I127-F159 WeakPolarHBondContact CG2-O 3.41Å; I133-F159 HydrophobicContact CD1-CD2 4.14Å; I133-F159 HydrophobicContact CD1-CE1 4.24Å; I133-F159 HydrophobicContact CD1-CE2 3.66Å; I133-F159 HydrophobicContact CD1-CZ 3.72Å; I133-F159 HydrophobicContact CG1-CD2 3.81Å; I133-F159 HydrophobicContact CG1-CE2 3.68Å; I133-F159 HydrophobicContact CG1-CG 4.49Å; I133-F159 HydrophobicContact CG1-CZ 4.26Å; F159-C174 CarbonylContact C-O 3.58Å; F159-C174 WeakPolarHBondContact CA-O 3.26Å; F159-W181 HydrophobicContact CE1-CZ2 4.38Å; F159-W181 HydrophobicContact CZ-CZ2 4.23Å
160	T	93.1	Very high	92.7	Very high	44 Å²	44	55.6 Å²	55.6	27%	0.27	30%	0.296	S	S	.	.			trans	-109	-25.2	-173.6	52.5	0	0	0	0	112.7	C174 F199	T160-C174 PolarHBondContact N-O 3.38Å; T160-C174 PolarHBondContact OG1-O 2.92Å; T160-C174 PolarHBondContact OG1-SG 3.34Å; T160-F199 WeakPolarHBondContact CB-O 3.42Å; T160-F199 PolarHBondContact OG1-O 2.99Å
161	G	93.1	Very high	93	Very high	7 Å²	7	50.5 Å²	50.5	7%	0.072	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	153	-174.7	0	0	0	0	0	112.7	T173 C174	G161-T173 WeakPolarHBondContact O-CA 3.3Å; G161-C174 PolarHBondContact N-O 3.38Å; G161-C174 WeakPolarHBondContact O-CB 3.3Å; G161-C174 PolarHBondContact O-N 3.07Å
162	L	95.8	Very high	93.2	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.021	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	135.3	-175.8	179.5	55.5	0	0	0	109.5	V116 F125 I127 F171 T173 R203	V116-L162 HydrophobicContact CB-CD2 4.43Å; V116-L162 HydrophobicContact CB-CG 4.17Å; V116-L162 HydrophobicContact CG1-CD1 4.15Å; V116-L162 HydrophobicContact CG1-CD2 3.85Å; V116-L162 HydrophobicContact CG1-CG 3.63Å; F125-L162 HydrophobicContact CB-CD2 3.62Å; F125-L162 WeakPolarHBondContact O-CD2 3.05Å; I127-L162 HydrophobicContact CD1-CB 3.58Å; I127-L162 HydrophobicContact CD1-CD1 4.08Å; I127-L162 HydrophobicContact CD1-CD2 4.04Å; I127-L162 HydrophobicContact CD1-CG 4.08Å; I127-L162 HydrophobicContact CG1-CB 4.07Å; I127-L162 HydrophobicContact CG1-CD2 3.73Å; I127-L162 HydrophobicContact CG1-CG 4.33Å; L162-F171 HydrophobicContact CD1-CD2 3.7Å; L162-F171 HydrophobicContact CD1-CE2 4.39Å; L162-F171 HydrophobicContact CD1-CG 4.48Å; L162-T173 HydrophobicContact CD1-CG2 3.91Å; L162-R203 PolarHBondContact O-NH1 3.01Å
163	D	96.6	Very high	93.2	Very high	22 Å²	22	44.6 Å²	44.6	12%	0.118	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	154.1	168.9	-150.5	44.1	0	0	0	111.3	F171 A172 R203 F204	D163-F171 WeakPolarHBondContact O-CA 3.42Å; D163-F171 WeakPolarHBondContact O-CB 3.4Å; D163-A172 PolarHBondContact N-O 2.77Å; D163-A172 PolarHBondContact O-N 2.89Å; D163-R203 IonicContact OD1-CZ 2.8Å; D163-R203 IonicContact OD1-NH1 3.02Å; D163-R203 PolarHBondContact OD1-NH1 2.58Å; D163-R203 WeakPolarHBondContact OD2-CA 3.31Å; D163-F204 HydrophobicContact CB-CD2 4.03Å; D163-F204 PolarHBondContact OD2-N 2.82Å
164	H	95.7	Very high	93.2	Very high	11 Å²	11	44.1 Å²	44.1	5%	0.051	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	141.4	-176.2	-165.6	-67.1	0	0	0	109.9	V116 H119 F125 N168 V170 E183	V116-H164 HydrophobicContact CB-CB 4.38Å; V116-H164 HydrophobicContact CG1-CB 3.74Å; V116-H164 HydrophobicContact CG2-CB 3.69Å; H119-H164 AromaticContact CD2-CE1 3.32Å; H119-H164 PolarHBondContact CD2-CE1 3.04Å; H119-H164 AromaticContact CD2-NE2 4Å; F125-H164 AromaticContact CE2-CD2 3.94Å; H164-N168 PolarHBondContact CE1-O 3.45Å; H164-N168 VanDerWaalsContact CE1-O 3.3Å; H164-V170 PolarHBondContact CE1-O 3.36Å; H164-E183 IonicContact CD2-OE1 2.8Å; H164-E183 IonicContact NE2-OE1 2.57Å; H164-E183 PolarHBondContact NE2-OE1 3.2Å
165	H	95.4	Very high	93.1	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.009	20%	0.201	C	C	.	.			trans	-67.2	142.7	175.9	-176.7	-87.2	0	0	0	111.4	K167 N168 V170 F204 T209 E210	H165-K167 VanDerWaalsContact C-N 3.33Å; H165-K167 PolarHBondContact ND1-N 2.86Å; H165-K167 VanDerWaalsContact ND1-N 3.18Å; H165-K167 PolarHBondContact O-N 2.86Å; H165-N168 PolarHBondContact CE1-N 3.1Å; H165-N168 PolarHBondContact CE1-ND2 2.95Å; H165-N168 WeakPolarHBondContact ND1-CB 3.33Å; H165-N168 PolarHBondContact ND1-N 2.81Å; H165-V170 HydrophobicContact CB-CB 4.2Å; H165-V170 WeakPolarHBondContact CB-O 3.3Å; H165-V170 PolarHBondContact N-O 3.21Å; H165-F204 HydrophobicContact CB-CE1 4.44Å; H165-F204 HydrophobicContact CB-CE2 4.36Å; H165-F204 HydrophobicContact CB-CZ 4.31Å; H165-T209 PolarHBondContact CD2-O 2.67Å; H165-T209 PolarHBondContact CE1-OG1 2.92Å; H165-T209 WeakPolarHBondContact NE2-CB 3.41Å; H165-T209 PolarHBondContact NE2-O 2.93Å; H165-T209 VanDerWaalsContact NE2-O 3.16Å; H165-T209 PolarHBondContact NE2-OG1 2.95Å; H165-E210 IonicContact NE2-OE1 3.69Å
166	Q	90.6	Very high	93.2	Very high	100 Å²	100	41.4 Å²	41.4	47%	0.467	21%	0.214	S	C	.	.	S	Bend	trans	-71.1	-22.7	-169.7	-170.9	62	13.4	0	0	114.6	H119 T209	H119-Q166 WeakPolarHBondContact CB-O 3.49Å; Q166-T209 HydrophobicContact CB-CG2 3.96Å
167	K	91.6	Very high	93.4	Very high	143 Å²	143	34.1 Å²	34.1	62%	0.622	18%	0.183	S	C	*	.	S	Bend	trans	-121.6	-56.7	-174.3	-65.6	177.6	-178.5	171.8	0	113.7	H119 H165 T209	H119-K167 PolarHBondContact CE1-O 3.06Å; H119-K167 PolarHBondContact ND1-O 2.86Å; H165-K167 VanDerWaalsContact C-N 3.33Å; H165-K167 PolarHBondContact ND1-N 2.86Å; H165-K167 VanDerWaalsContact ND1-N 3.18Å; H165-K167 PolarHBondContact O-N 2.86Å; K167-T209 HydrophobicContact CD-CG2 4.42Å
168	N	93.1	Very high	93.6	Very high	78 Å²	78	32.1 Å²	32.1	42%	0.417	17%	0.167	S	C	.	.	S	Bend	trans	-77.9	159	-179.1	-55.6	-19	0	0	0	112.9	H164 H165 V170	H164-N168 PolarHBondContact CE1-O 3.45Å; H164-N168 VanDerWaalsContact CE1-O 3.3Å; H165-N168 PolarHBondContact CE1-N 3.1Å; H165-N168 PolarHBondContact CE1-ND2 2.95Å; H165-N168 WeakPolarHBondContact ND1-CB 3.33Å; H165-N168 PolarHBondContact ND1-N 2.81Å; N168-V170 HydrophobicContact CB-CG2 4.23Å; N168-V170 PolarHBondContact O-N 2.93Å
169	A	93.2	Very high	93.7	Very high	32 Å²	32	30.1 Å²	30.1	26%	0.264	15%	0.154	S	C	.	.	S	Bend	trans	-72.6	43.3	175.1	0	0	0	0	0	113.2	E183	A169-E183 VanDerWaalsContact CA-OE2 3.28Å; A169-E183 WeakPolarHBondContact CA-OE2 3.44Å; A169-E183 WeakPolarHBondContact CB-OE2 3.43Å; A169-E183 WeakPolarHBondContact O-CG 3.32Å; A169-E183 PolarHBondContact O-N 2.93Å
170	V	94.8	Very high	93.7	Very high	22 Å²	22	29.6 Å²	29.6	13%	0.133	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	139.4	-173.5	175.9	0	0	0	0	108.9	H164 H165 N168 I180 W181 M226	H164-V170 PolarHBondContact CE1-O 3.36Å; H165-V170 HydrophobicContact CB-CB 4.2Å; H165-V170 WeakPolarHBondContact CB-O 3.3Å; H165-V170 PolarHBondContact N-O 3.21Å; N168-V170 HydrophobicContact CB-CG2 4.23Å; N168-V170 PolarHBondContact O-N 2.93Å; V170-I180 HydrophobicContact CG1-CG2 3.68Å; V170-W181 WeakPolarHBondContact CA-O 3.14Å; V170-W181 WeakPolarHBondContact CG1-O 3.44Å; V170-M226 HydrophobicContact CG1-CE 3.79Å
171	F	95.6	Very high	93.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	156.3	173.5	67.4	-88	0	0	0	110.5	F125 I133 I153 L162 D163 T173 W181 E183	F125-F171 HydrophobicContact CE1-CD1 4.49Å; F125-F171 HydrophobicContact CE1-CE1 4.08Å; F125-F171 HydrophobicContact CE1-CZ 4.45Å; F125-F171 HydrophobicContact CE2-CD1 4.45Å; F125-F171 HydrophobicContact CZ-CD1 4.29Å; F125-F171 HydrophobicContact CZ-CE1 4.23Å; I133-F171 HydrophobicContact CD1-CE2 4.37Å; I133-F171 HydrophobicContact CG2-CE2 4.23Å; I133-F171 HydrophobicContact CG2-CZ 4.46Å; I153-F171 HydrophobicContact CD1-CZ 4.36Å; L162-F171 HydrophobicContact CD1-CD2 3.7Å; L162-F171 HydrophobicContact CD1-CE2 4.39Å; L162-F171 HydrophobicContact CD1-CG 4.48Å; D163-F171 WeakPolarHBondContact O-CA 3.42Å; D163-F171 WeakPolarHBondContact O-CB 3.4Å; F171-T173 HydrophobicContact CD2-CG2 3.83Å; F171-T173 HydrophobicContact CE2-CG2 3.68Å; F171-W181 HydrophobicContact CD1-CB 3.89Å; F171-W181 HydrophobicContact CD2-CB 3.9Å; F171-W181 AromaticContact CD2-CD1 3.98Å; F171-W181 HydrophobicContact CD2-CG 4.12Å; F171-W181 HydrophobicContact CE1-CB 3.45Å; F171-W181 VanDerWaalsContact CE1-CB 3.45Å; F171-W181 HydrophobicContact CE1-CG 4.33Å; F171-W181 HydrophobicContact CE2-CB 3.47Å; F171-W181 VanDerWaalsContact CE2-CB 3.47Å; F171-W181 AromaticContact CE2-CD1 3.61Å; F171-W181 HydrophobicContact CE2-CD2 4.29Å; 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 4.1Å; F171-W181 HydrophobicContact CZ-CB 3.24Å; F171-W181 HydrophobicContact CZ-CD2 4.28Å; F171-W181 AromaticContact CZ-CG 3.62Å; F171-W181 HydrophobicContact CZ-CG 3.62Å; F171-W181 PolarHBondContact N-O 2.78Å; F171-W181 PolarHBondContact O-N 2.92Å; F171-E183 HydrophobicContact CD1-CG 3.79Å; F171-E183 HydrophobicContact CE1-CG 4.01Å
172	A	95.8	Very high	93.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	135.1	179.5	0	0	0	0	0	109.3	D163 D179 V202 F204	D163-A172 PolarHBondContact N-O 2.77Å; D163-A172 PolarHBondContact O-N 2.89Å; A172-D179 CarbonylContact C-O 3.46Å; A172-D179 VanDerWaalsContact CA-O 3.31Å; A172-D179 WeakPolarHBondContact CA-O 3.44Å; A172-V202 HydrophobicContact CB-CG1 3.78Å; A172-F204 HydrophobicContact CB-CD2 4.5Å; A172-F204 HydrophobicContact CB-CE2 3.48Å; A172-F204 VanDerWaalsContact CB-CE2 3.48Å; A172-F204 HydrophobicContact CB-CZ 3.61Å
173	T	95.4	Very high	93.5	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	157.5	174.1	70.4	0	0	0	0	109.9	I127 I133 G161 L162 F171 V178 D179 W181	I127-T173 HydrophobicContact CD1-CG2 3.89Å; I133-T173 HydrophobicContact CD1-CG2 3.58Å; I133-T173 HydrophobicContact CG1-CG2 4.3Å; G161-T173 WeakPolarHBondContact O-CA 3.3Å; L162-T173 HydrophobicContact CD1-CG2 3.91Å; F171-T173 HydrophobicContact CD2-CG2 3.83Å; F171-T173 HydrophobicContact CE2-CG2 3.68Å; T173-V178 WeakPolarHBondContact O-CA 3.27Å; T173-D179 PolarHBondContact N-O 2.99Å; T173-D179 PolarHBondContact O-N 3.38Å; T173-W181 PolarHBondContact OG1-NE1 2.86Å
174	C	93.5	Very high	93.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	134.9	-172.3	177.3	0	0	0	0	107.4	F159 T160 G161 F199 V202	F159-C174 CarbonylContact C-O 3.58Å; F159-C174 WeakPolarHBondContact CA-O 3.26Å; T160-C174 PolarHBondContact N-O 3.38Å; T160-C174 PolarHBondContact OG1-O 2.92Å; T160-C174 PolarHBondContact OG1-SG 3.34Å; G161-C174 PolarHBondContact N-O 3.38Å; G161-C174 WeakPolarHBondContact O-CB 3.3Å; G161-C174 PolarHBondContact O-N 3.07Å; C174-F199 WeakPolarHBondContact SG-CB 3.22Å; C174-F199 PolarHBondContact SG-O 3.15Å; C174-F199 VanDerWaalsContact SG-O 3.37Å; C174-V202 HydrophobicContact CB-CB 4.02Å; C174-V202 HydrophobicContact CB-CG2 3.46Å; C174-V202 VanDerWaalsContact CB-CG2 3.46Å
175	G	90.4	Very high	92.9	Very high	3 Å²	3	42.3 Å²	42.3	3%	0.031	20%	0.201	C	C	.	.	S	Bend	trans	-167.4	-119	177.3	0	0	0	0	0	109.4	V158 Q177 S198 F199	V158-G175 WeakPolarHBondContact O-CA 3.29Å; G175-Q177 PolarHBondContact N-O 2.92Å; G175-Q177 VanDerWaalsContact N-O 3.1Å; G175-S198 CarbonylContact O-C 3.52Å; G175-S198 WeakPolarHBondContact O-CA 3.4Å; G175-F199 PolarHBondContact O-N 2.99Å
176	H	90.3	Very high	92.6	Very high	86 Å²	86	46.3 Å²	46.3	40%	0.398	23%	0.229	S	C	.	.	S	Bend	trans	-68.6	-27.5	167.5	-175.6	56.1	0	0	0	112.9	A157 D197	A157-H176 HydrophobicContact CB-CB 4.27Å; H176-D197 VanDerWaalsContact O-O 3.09Å
177	Q	91.8	Very high	92.6	Very high	56 Å²	56	45.7 Å²	45.7	26%	0.262	23%	0.233	S	C	.	.	S	Bend	trans	-139.1	166.7	177.9	60	-177.8	11.8	0	0	109	G175 D179 S191 F192 T193	G175-Q177 PolarHBondContact N-O 2.92Å; G175-Q177 VanDerWaalsContact N-O 3.1Å; Q177-D179 VanDerWaalsContact CD-OD1 3.27Å; Q177-D179 WeakPolarHBondContact CG-OD1 3.17Å; Q177-D179 PolarHBondContact NE2-OD1 3.37Å; Q177-D179 PolarHBondContact NE2-OD2 3.15Å; Q177-D179 VanDerWaalsContact NE2-OD2 3.08Å; Q177-S191 PolarHBondContact NE2-OG 3.26Å; Q177-F192 WeakPolarHBondContact CB-O 3.27Å; Q177-T193 HydrophobicContact CB-CG2 3.76Å
178	V	93.8	Very high	92.6	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	112	173.2	178.1	0	0	0	0	108.3	T173 F192 F199 V202 L212 Y224	T173-V178 WeakPolarHBondContact O-CA 3.27Å; V178-F192 HydrophobicContact CB-CB 4.43Å; V178-F192 HydrophobicContact CG1-CD2 4.37Å; V178-F192 PolarHBondContact N-O 3.37Å; V178-F192 VanDerWaalsContact N-O 3.14Å; V178-F192 PolarHBondContact O-N 3.01Å; V178-F199 HydrophobicContact CG2-CB 4.36Å; V178-F199 HydrophobicContact CG2-CD1 3.94Å; V178-F199 HydrophobicContact CG2-CD2 3.9Å; V178-F199 HydrophobicContact CG2-CE1 4.17Å; V178-F199 HydrophobicContact CG2-CE2 4.14Å; V178-F199 HydrophobicContact CG2-CG 3.8Å; V178-F199 HydrophobicContact CG2-CZ 4.26Å; V178-V202 HydrophobicContact CG1-CG2 4.05Å; V178-V202 HydrophobicContact CG2-CG2 4Å; V178-L212 HydrophobicContact CG1-CD1 3.84Å; V178-Y224 HydrophobicContact CB-CE1 4.48Å; V178-Y224 HydrophobicContact CG1-CE2 4.46Å; V178-Y224 HydrophobicContact CG2-CE2 4.2Å; V178-Y224 WeakPolarHBondContact CG2-OH 3.45Å
179	D	93.9	Very high	92.6	Very high	12 Å²	12	40.5 Å²	40.5	6%	0.064	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	135.2	-176.7	-70.6	-33.7	0	0	0	110.6	A172 T173 Q177 W181 P188 R190 S191	A172-D179 CarbonylContact C-O 3.46Å; A172-D179 VanDerWaalsContact CA-O 3.31Å; A172-D179 WeakPolarHBondContact CA-O 3.44Å; T173-D179 PolarHBondContact N-O 2.99Å; T173-D179 PolarHBondContact O-N 3.38Å; Q177-D179 VanDerWaalsContact CD-OD1 3.27Å; Q177-D179 WeakPolarHBondContact CG-OD1 3.17Å; Q177-D179 PolarHBondContact NE2-OD1 3.37Å; Q177-D179 PolarHBondContact NE2-OD2 3.15Å; Q177-D179 VanDerWaalsContact NE2-OD2 3.08Å; D179-W181 HydrophobicContact CB-CZ2 4.07Å; D179-W181 VanDerWaalsContact CB-NE1 3.26Å; D179-P188 HydrophobicContact CB-CB 4.06Å; D179-R190 WeakPolarHBondContact CA-O 3.16Å; D179-S191 WeakPolarHBondContact OD1-CA 3.49Å; D179-S191 WeakPolarHBondContact OD1-CB 3.47Å; D179-S191 PolarHBondContact OD1-OG 3.03Å
180	I	94.9	Very high	92.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130.4	173.8	-66.6	158.5	0	0	0	108.4	V170 P188 I189 R190 F192 M226	V170-I180 HydrophobicContact CG1-CG2 3.68Å; I180-P188 CarbonylContact O-C 3.48Å; I180-P188 WeakPolarHBondContact O-CA 3.32Å; I180-I189 HydrophobicContact CG2-CB 4.32Å; I180-I189 HydrophobicContact CG2-CD1 4.12Å; I180-I189 PolarHBondContact O-N 2.78Å; I180-R190 HydrophobicContact CB-CB 4.34Å; I180-R190 HydrophobicContact CD1-CB 3.95Å; I180-R190 PolarHBondContact N-O 3.5Å; I180-R190 PolarHBondContact O-N 3Å; I180-F192 HydrophobicContact CD1-CD2 4.22Å; I180-F192 HydrophobicContact CD1-CE2 3.33Å; I180-F192 HydrophobicContact CD1-CZ 3.84Å; I180-F192 HydrophobicContact CG1-CE2 4.2Å; I180-M226 HydrophobicContact CB-CE 4.23Å; I180-M226 HydrophobicContact CD1-CE 3.61Å; I180-M226 HydrophobicContact CD1-SD 3.17Å; I180-M226 WeakPolarHBondContact CD1-SD 3.36Å; I180-M226 HydrophobicContact CG1-CE 3.86Å; I180-M226 HydrophobicContact CG1-SD 3.53Å; I180-M226 VanDerWaalsContact CG1-SD 3.53Å; I180-M226 HydrophobicContact CG2-CE 3.34Å; I180-M226 HydrophobicContact CG2-SD 4.19Å
181	W	94.8	Very high	92.3	Very high	10 Å²	10	44 Å²	44	4%	0.038	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	142.1	-176.3	-57.8	82	0	0	0	111.1	I133 I153 F159 V170 F171 T173 D179 S186 P188	I133-W181 HydrophobicContact CD1-CZ2 4.22Å; I153-W181 HydrophobicContact CD1-CE3 4.33Å; I153-W181 HydrophobicContact CG2-CE3 4.41Å; I153-W181 HydrophobicContact CG2-CH2 3.94Å; I153-W181 HydrophobicContact CG2-CZ3 3.65Å; F159-W181 HydrophobicContact CE1-CZ2 4.38Å; F159-W181 HydrophobicContact CZ-CZ2 4.23Å; V170-W181 WeakPolarHBondContact CA-O 3.14Å; V170-W181 WeakPolarHBondContact CG1-O 3.44Å; F171-W181 HydrophobicContact CD1-CB 3.89Å; F171-W181 HydrophobicContact CD2-CB 3.9Å; F171-W181 AromaticContact CD2-CD1 3.98Å; F171-W181 HydrophobicContact CD2-CG 4.12Å; F171-W181 HydrophobicContact CE1-CB 3.45Å; F171-W181 VanDerWaalsContact CE1-CB 3.45Å; F171-W181 HydrophobicContact CE1-CG 4.33Å; F171-W181 HydrophobicContact CE2-CB 3.47Å; F171-W181 VanDerWaalsContact CE2-CB 3.47Å; F171-W181 AromaticContact CE2-CD1 3.61Å; F171-W181 HydrophobicContact CE2-CD2 4.29Å; 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 4.1Å; F171-W181 HydrophobicContact CZ-CB 3.24Å; F171-W181 HydrophobicContact CZ-CD2 4.28Å; F171-W181 AromaticContact CZ-CG 3.62Å; F171-W181 HydrophobicContact CZ-CG 3.62Å; F171-W181 PolarHBondContact N-O 2.78Å; F171-W181 PolarHBondContact O-N 2.92Å; T173-W181 PolarHBondContact OG1-NE1 2.86Å; D179-W181 HydrophobicContact CB-CZ2 4.07Å; D179-W181 VanDerWaalsContact CB-NE1 3.26Å; W181-S186 WeakPolarHBondContact CZ3-O 3.4Å; W181-P188 HydrophobicContact CD2-CB 4.09Å; W181-P188 HydrophobicContact CE3-CB 4.22Å; W181-P188 HydrophobicContact CH2-CB 4.17Å; W181-P188 HydrophobicContact CH2-CG 4.17Å; W181-P188 HydrophobicContact CZ2-CB 4.01Å; W181-P188 HydrophobicContact CZ2-CG 4.3Å; W181-P188 HydrophobicContact CZ3-CB 4.26Å; W181-P188 HydrophobicContact CZ3-CG 4.46Å
182	D	93.4	Very high	92	Very high	41 Å²	41	44.1 Å²	44.1	22%	0.219	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	140.5	159	-165.7	-3.8	0	0	0	107	Q184 R185 I189	D182-Q184 PolarHBondContact O-N 2.66Å; D182-R185 HydrophobicContact CB-CB 4.22Å; D182-R185 HydrophobicContact CB-CG 4Å; D182-R185 PolarHBondContact O-N 3.04Å; D182-R185 VanDerWaalsContact O-N 3.09Å; D182-R185 IonicContact OD2-NE 3Å; D182-I189 HydrophobicContact CB-CD1 3.75Å; D182-I189 HydrophobicContact CB-CG1 4Å
183	E	89.3	Confident	91.5	Very high	12 Å²	12	48.2 Å²	48.2	6%	0.056	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-22.3	-176.1	-61.8	165.5	128.6	0	0	113.4	R118 F125 H164 A169 F171 R185	R118-E183 VanDerWaalsContact CD-OE1 3.3Å; R118-E183 WeakPolarHBondContact CD-OE1 3.13Å; R118-E183 IonicContact CZ-OE1 3.58Å; R118-E183 IonicContact CZ-OE2 3.92Å; R118-E183 IonicContact NE-OE1 3.91Å; R118-E183 PolarHBondContact NE-OE1 3.43Å; R118-E183 IonicContact NE-OE2 3.91Å; R118-E183 IonicContact NH1-OE1 2.81Å; R118-E183 PolarHBondContact NH1-OE1 3.43Å; R118-E183 IonicContact NH1-OE2 3.99Å; R118-E183 PolarHBondContact NH1-OE2 2.92Å; R118-E183 IonicContact NH2-OE1 3.9Å; R118-E183 IonicContact NH2-OE2 3.98Å; R118-E183 PolarHBondContact NH2-OE2 2.76Å; F125-E183 HydrophobicContact CE2-CG 4.18Å; F125-E183 WeakPolarHBondContact CE2-OE1 3.48Å; F125-E183 HydrophobicContact CZ-CB 4.29Å; F125-E183 HydrophobicContact CZ-CG 3.69Å; H164-E183 IonicContact CD2-OE1 2.8Å; H164-E183 IonicContact NE2-OE1 2.57Å; H164-E183 PolarHBondContact NE2-OE1 3.2Å; A169-E183 VanDerWaalsContact CA-OE2 3.28Å; A169-E183 WeakPolarHBondContact CA-OE2 3.44Å; A169-E183 WeakPolarHBondContact CB-OE2 3.43Å; A169-E183 WeakPolarHBondContact O-CG 3.32Å; A169-E183 PolarHBondContact O-N 2.93Å; F171-E183 HydrophobicContact CD1-CG 3.79Å; F171-E183 HydrophobicContact CE1-CG 4.01Å; E183-R185 VanDerWaalsContact C-N 3.33Å
184	Q	89.1	Confident	90.4	Very high	159 Å²	159	52.1 Å²	52.1	74%	0.743	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-14.5	177.5	-57.5	-58.6	-40.4	0	0	112.7	D182	D182-Q184 PolarHBondContact O-N 2.66Å
185	R	90.7	Very high	89.5	Confident	132 Å²	132	54.8 Å²	54.8	50%	0.498	29%	0.294	S	S	.	.			trans	-106	141	-172.8	-64	-176.5	-177.2	-162.5	-1.5	111	D182 E183 T187	D182-R185 HydrophobicContact CB-CB 4.22Å; D182-R185 HydrophobicContact CB-CG 4Å; D182-R185 PolarHBondContact O-N 3.04Å; D182-R185 VanDerWaalsContact O-N 3.09Å; D182-R185 IonicContact OD2-NE 3Å; E183-R185 VanDerWaalsContact C-N 3.33Å; R185-T187 VanDerWaalsContact C-N 3.35Å
186	S	88.3	Confident	88.4	Confident	86 Å²	86	60.5 Å²	60.5	60%	0.601	33%	0.328	S	S	*	.	S	Bend	trans	-87.7	-5.9	170.9	58.1	0	0	0	0	113.3	W181	W181-S186 WeakPolarHBondContact CZ3-O 3.4Å
187	T	90.7	Very high	87.9	Confident	88 Å²	88	59.1 Å²	59.1	54%	0.54	32%	0.323	S	S	.	.	S	Bend	trans	-115.1	146.5	174.7	55.2	0	0	0	0	110.4	R185	R185-T187 VanDerWaalsContact C-N 3.35Å
188	P	92.8	Very high	87.8	Confident	45 Å²	45	59.4 Å²	59.4	29%	0.292	33%	0.331	S	S	.	.			trans	-67.2	143	178.2	28.5	-32.9	0	0	0	110.1	D179 I180 W181 R190	D179-P188 HydrophobicContact CB-CB 4.06Å; I180-P188 CarbonylContact O-C 3.48Å; I180-P188 WeakPolarHBondContact O-CA 3.32Å; W181-P188 HydrophobicContact CD2-CB 4.09Å; W181-P188 HydrophobicContact CE3-CB 4.22Å; W181-P188 HydrophobicContact CH2-CB 4.17Å; W181-P188 HydrophobicContact CH2-CG 4.17Å; W181-P188 HydrophobicContact CZ2-CB 4.01Å; W181-P188 HydrophobicContact CZ2-CG 4.3Å; W181-P188 HydrophobicContact CZ3-CB 4.26Å; W181-P188 HydrophobicContact CZ3-CG 4.46Å; P188-R190 VanDerWaalsContact C-N 3.34Å
189	I	91.3	Very high	87.7	Confident	66 Å²	66	59.8 Å²	59.8	34%	0.338	33%	0.333	S	S	.	.	S	Bend	trans	-65.4	-45	172.1	-52.5	177	0	0	0	109.2	I180 D182	I180-I189 HydrophobicContact CG2-CB 4.32Å; I180-I189 HydrophobicContact CG2-CD1 4.12Å; I180-I189 PolarHBondContact O-N 2.78Å; D182-I189 HydrophobicContact CB-CD1 3.75Å; D182-I189 HydrophobicContact CB-CG1 4Å
190	R	90.6	Very high	87.6	Confident	74 Å²	74	61.1 Å²	61.1	28%	0.279	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	149.2	-177.4	-84.8	-176.7	-71.3	-153.7	-13.3	110.6	D179 I180 P188 M226 E228	D179-R190 WeakPolarHBondContact CA-O 3.16Å; I180-R190 HydrophobicContact CB-CB 4.34Å; I180-R190 HydrophobicContact CD1-CB 3.95Å; I180-R190 PolarHBondContact N-O 3.5Å; I180-R190 PolarHBondContact O-N 3Å; P188-R190 VanDerWaalsContact C-N 3.34Å; R190-M226 PolarHBondContact NH1-O 3Å; R190-M226 PolarHBondContact NH2-O 2.97Å; R190-E228 PolarHBondContact NH1-O 2.75Å
191	S	91.6	Very high	87.6	Confident	54 Å²	54	61.6 Å²	61.6	38%	0.378	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	121.3	175.5	-64.2	0	0	0	0	108.2	Q177 D179	Q177-S191 PolarHBondContact NE2-OG 3.26Å; D179-S191 WeakPolarHBondContact OD1-CA 3.49Å; D179-S191 WeakPolarHBondContact OD1-CB 3.47Å; D179-S191 PolarHBondContact OD1-OG 3.03Å
192	F	90.6	Very high	87.6	Confident	3 Å²	3	61.2 Å²	61.2	1%	0.013	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	124.1	173.8	-58.4	-70	0	0	0	110.1	Q177 V178 I180 Y224 S229	Q177-F192 WeakPolarHBondContact CB-O 3.27Å; V178-F192 HydrophobicContact CB-CB 4.43Å; V178-F192 HydrophobicContact CG1-CD2 4.37Å; V178-F192 PolarHBondContact N-O 3.37Å; V178-F192 VanDerWaalsContact N-O 3.14Å; V178-F192 PolarHBondContact O-N 3.01Å; I180-F192 HydrophobicContact CD1-CD2 4.22Å; I180-F192 HydrophobicContact CD1-CE2 3.33Å; I180-F192 HydrophobicContact CD1-CZ 3.84Å; I180-F192 HydrophobicContact CG1-CE2 4.2Å; F192-Y224 HydrophobicContact CB-CD1 3.76Å; F192-Y224 HydrophobicContact CB-CE1 3.5Å; F192-Y224 VanDerWaalsContact CB-CE1 3.5Å; F192-Y224 HydrophobicContact CD1-CD1 4.05Å; F192-Y224 AromaticContact CD2-CD1 3.43Å; F192-Y224 HydrophobicContact CD2-CD1 3.43Å; F192-Y224 VanDerWaalsContact CD2-CD1 3.43Å; F192-Y224 AromaticContact CD2-CE1 3.95Å; F192-Y224 HydrophobicContact CD2-CE1 3.95Å; F192-Y224 HydrophobicContact CD2-CG 4.05Å; F192-Y224 HydrophobicContact CE1-CD1 4.45Å; F192-Y224 AromaticContact CE2-CD1 3.85Å; F192-Y224 HydrophobicContact CE2-CD1 3.85Å; F192-Y224 HydrophobicContact CE2-CG 4.13Å; F192-Y224 AromaticContact CG-CD1 3.51Å; F192-Y224 HydrophobicContact CG-CD1 3.51Å; F192-Y224 AromaticContact CG-CE1 3.82Å; F192-Y224 HydrophobicContact CG-CE1 3.82Å; F192-Y224 HydrophobicContact CZ-CD1 4.36Å; F192-S229 WeakPolarHBondContact CD1-O 3.48Å; F192-S229 VanDerWaalsContact CE1-O 3.26Å; F192-S229 WeakPolarHBondContact CE1-O 3.39Å
193	T	84.8	Confident	87.7	Confident	85 Å²	85	61.9 Å²	61.9	52%	0.521	35%	0.345	S	S	.	.			trans	-119.9	134.4	173.4	52.7	0	0	0	0	109.2	Q177	Q177-T193 HydrophobicContact CB-CG2 3.76Å
194	W	72.5	Confident	88.1	Confident	83 Å²	83	61.8 Å²	61.8	31%	0.314	34%	0.344	S	S	.	.			trans	-137.5	71.2	175.3	-163.2	-79.5	0	0	0	109.1	P231 K234 V444	W194-P231 HydrophobicContact CD2-CG 3.96Å; W194-P231 HydrophobicContact CE3-CB 4.38Å; W194-P231 HydrophobicContact CE3-CG 3.04Å; W194-P231 HydrophobicContact CH2-CG 4.27Å; W194-P231 HydrophobicContact CZ3-CG 3.24Å; W194-K234 VanDerWaalsContact CD1-CD 3.4Å; W194-K234 HydrophobicContact CG-CD 4.33Å; W194-K234 VanDerWaalsContact NE1-CD 3.27Å; W194-V444 HydrophobicContact CZ2-CG1 3.92Å
195	G	74.9	Confident	88.5	Confident	56 Å²	56	54.2 Å²	54.2	58%	0.577	31%	0.309	S	S	*	.	S	Bend	trans	89.7	-162.1	-172.3	0	0	0	0	0	113
196	V	65.6	Low	88.6	Confident	123 Å²	123	50.1 Å²	50.1	75%	0.745	30%	0.299	S	S	*	.	S	Bend	trans	-106.8	38.2	-170.6	-164.4	0	0	0	0	111.1
197	D	80.3	Confident	88.9	Confident	56 Å²	56	48.8 Å²	48.8	30%	0.299	29%	0.287	S	S	.	.			trans	-110.8	139.6	-171.2	-64.9	-47.9	0	0	0	112.6	H176 D218	H176-D197 VanDerWaalsContact O-O 3.09Å; D197-D218 HydrophobicContact CB-CB 4.41Å; D197-D218 WeakPolarHBondContact OD2-CB 3.35Å
198	S	89.4	Confident	89.1	Confident	63 Å²	63	49 Å²	49	44%	0.441	28%	0.282	S	S	.	.			trans	-77.7	135.9	172.4	-58	0	0	0	0	110.9	G175 S217	G175-S198 CarbonylContact O-C 3.52Å; G175-S198 WeakPolarHBondContact O-CA 3.4Å; S198-S217 VanDerWaalsContact O-CB 3.32Å; S198-S217 WeakPolarHBondContact O-CB 3.44Å; S198-S217 PolarHBondContact O-N 2.78Å
199	F	92.7	Very high	89.2	Confident	7 Å²	7	47.7 Å²	47.7	3%	0.031	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	143.5	174.1	-61.9	-88.9	0	0	0	110.1	T160 C174 G175 V178 S214 C215 A216 V222 Y224	T160-F199 WeakPolarHBondContact CB-O 3.42Å; T160-F199 PolarHBondContact OG1-O 2.99Å; C174-F199 WeakPolarHBondContact SG-CB 3.22Å; C174-F199 PolarHBondContact SG-O 3.15Å; C174-F199 VanDerWaalsContact SG-O 3.37Å; G175-F199 PolarHBondContact O-N 2.99Å; V178-F199 HydrophobicContact CG2-CB 4.36Å; V178-F199 HydrophobicContact CG2-CD1 3.94Å; V178-F199 HydrophobicContact CG2-CD2 3.9Å; V178-F199 HydrophobicContact CG2-CE1 4.17Å; V178-F199 HydrophobicContact CG2-CE2 4.14Å; V178-F199 HydrophobicContact CG2-CG 3.8Å; V178-F199 HydrophobicContact CG2-CZ 4.26Å; F199-S214 VanDerWaalsContact CD1-OG 3.24Å; F199-S214 WeakPolarHBondContact CD1-OG 3.35Å; F199-S214 WeakPolarHBondContact CE1-OG 3.31Å; F199-C215 CarbonylContact C-O 3.53Å; F199-C215 VanDerWaalsContact CA-O 3.25Å; F199-C215 WeakPolarHBondContact CA-O 3.4Å; F199-C215 WeakPolarHBondContact CB-O 3.5Å; F199-A216 HydrophobicContact CD1-CB 3.69Å; F199-A216 HydrophobicContact CE1-CB 3.85Å; F199-A216 HydrophobicContact CG-CB 4.46Å; F199-V222 HydrophobicContact CE1-CG2 4.2Å; F199-Y224 WeakPolarHBondContact CE1-OH 3.17Å; F199-Y224 WeakPolarHBondContact CZ-OH 3.17Å
200	S	91.5	Very high	89.3	Confident	41 Å²	41	46.6 Å²	46.6	29%	0.287	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-35.2	-177.8	65.9	0	0	0	0	113.5	C215 T241 N242	S200-C215 PolarHBondContact N-O 3.37Å; S200-C215 WeakPolarHBondContact OG-CB 3.14Å; S200-T241 PolarHBondContact OG-O 3.2Å; S200-N242 PolarHBondContact OG-O 3Å
201	S	94	Very high	89.5	Confident	9 Å²	9	44.3 Å²	44.3	6%	0.063	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	150	-177.9	76.1	0	0	0	0	110.7	S214 C215 N242 T243	S201-S214 CarbonylContact O-C 3.57Å; S201-S214 WeakPolarHBondContact O-CA 3.42Å; S201-S214 WeakPolarHBondContact O-CB 3.31Å; S201-C215 PolarHBondContact O-N 2.73Å; S201-C215 PolarHBondContact OG-SG 3.09Å; S201-C215 VanDerWaalsContact OG-SG 3.42Å; S201-N242 PolarHBondContact OG-O 3.01Å; S201-T243 WeakPolarHBondContact OG-CA 3.31Å
202	V	95.6	Very high	89.7	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.012	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	139.7	172.2	164.1	0	0	0	0	108.3	A172 C174 V178 L212 G213	A172-V202 HydrophobicContact CB-CG1 3.78Å; C174-V202 HydrophobicContact CB-CB 4.02Å; C174-V202 HydrophobicContact CB-CG2 3.46Å; C174-V202 VanDerWaalsContact CB-CG2 3.46Å; V178-V202 HydrophobicContact CG1-CG2 4.05Å; V178-V202 HydrophobicContact CG2-CG2 4Å; V202-L212 HydrophobicContact CG1-CD1 4.11Å; V202-G213 WeakPolarHBondContact CA-O 3.2Å
203	R	96.8	Very high	89.9	Confident	55 Å²	55	41.6 Å²	41.6	21%	0.208	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	132.9	171.5	-67.6	-60.6	179.1	-157.1	-9.9	112	L162 D163 L212 G213 I244 W246	L162-R203 PolarHBondContact O-NH1 3.01Å; D163-R203 IonicContact OD1-CZ 2.8Å; D163-R203 IonicContact OD1-NH1 3.02Å; D163-R203 PolarHBondContact OD1-NH1 2.58Å; D163-R203 WeakPolarHBondContact OD2-CA 3.31Å; R203-L212 WeakPolarHBondContact O-CA 3.32Å; R203-G213 PolarHBondContact N-O 3.38Å; R203-G213 PolarHBondContact O-N 3.4Å; R203-I244 WeakPolarHBondContact CG-O 3.49Å; R203-W246 PolarHBondContact O-NE1 2.69Å
204	F	96.6	Very high	90.4	Very high	11 Å²	11	37.6 Å²	37.6	5%	0.048	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	147.9	166.5	-78.8	-77.4	0	0	0	111	D163 H165 A172 P206 T209 L212 M226	D163-F204 HydrophobicContact CB-CD2 4.03Å; D163-F204 PolarHBondContact OD2-N 2.82Å; H165-F204 HydrophobicContact CB-CE1 4.44Å; H165-F204 HydrophobicContact CB-CE2 4.36Å; H165-F204 HydrophobicContact CB-CZ 4.31Å; A172-F204 HydrophobicContact CB-CD2 4.5Å; A172-F204 HydrophobicContact CB-CE2 3.48Å; A172-F204 VanDerWaalsContact CB-CE2 3.48Å; A172-F204 HydrophobicContact CB-CZ 3.61Å; F204-P206 WeakPolarHBondContact O-CD 3.32Å; F204-T209 WeakPolarHBondContact CD1-O 3.49Å; F204-L212 HydrophobicContact CD1-CB 4.01Å; F204-L212 HydrophobicContact CE1-CB 4.19Å; F204-L212 HydrophobicContact CE1-CD2 4.06Å; F204-M226 HydrophobicContact CE1-CG 4.18Å; F204-M226 HydrophobicContact CE1-SD 4Å; F204-M226 HydrophobicContact CZ-SD 4.35Å
205	N	96.7	Very high	91.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.202	C	C	.	.			trans	-76	123.2	168.5	-177.2	-14.8	0	0	0	109.3	V207 E208 T209 L211 W246 A251	N205-V207 VanDerWaalsContact C-N 3.29Å; N205-V207 PolarHBondContact O-N 3.1Å; N205-V207 PolarHBondContact OD1-N 2.89Å; N205-E208 WeakPolarHBondContact CB-O 3.43Å; N205-E208 PolarHBondContact OD1-N 2.8Å; N205-T209 WeakPolarHBondContact O-CA 3.49Å; N205-L211 HydrophobicContact CB-CB 4.1Å; N205-L211 WeakPolarHBondContact CB-O 3.12Å; N205-L211 PolarHBondContact N-O 3.25Å; N205-W246 HydrophobicContact CB-CD2 3.82Å; N205-W246 HydrophobicContact CB-CE3 4.1Å; N205-W246 HydrophobicContact CB-CG 4.07Å; N205-W246 HydrophobicContact CB-CZ2 4.48Å; N205-A251 PolarHBondContact ND2-O 3.2Å
206	P	93.7	Very high	92.3	Very high	45 Å²	45	31 Å²	31	29%	0.292	18%	0.175	S	C	.	.	S	Bend	trans	-70.1	-22.6	-177.9	28.6	-37.5	0	0	0	113.7	F204 W246 P248	F204-P206 WeakPolarHBondContact O-CD 3.32Å; P206-W246 VanDerWaalsContact CD-CB 3.45Å; P206-W246 HydrophobicContact CG-CB 4.31Å; P206-P248 HydrophobicContact CG-CB 4.1Å
207	V	95.4	Very high	93.6	Very high	58 Å²	58	28.9 Å²	28.9	35%	0.352	17%	0.165	S	C	.	.	S	Bend	trans	-93.4	-59.4	-178.9	-175.5	0	0	0	0	110.4	N205 T209 P248 A251	N205-V207 VanDerWaalsContact C-N 3.29Å; N205-V207 PolarHBondContact O-N 3.1Å; N205-V207 PolarHBondContact OD1-N 2.89Å; V207-T209 PolarHBondContact O-N 2.76Å; V207-P248 WeakPolarHBondContact CG2-O 3.44Å; V207-A251 HydrophobicContact CB-CB 3.71Å; V207-A251 HydrophobicContact CG1-CB 3.77Å; V207-A251 HydrophobicContact CG2-CB 4.45Å
208	E	94.9	Very high	94	Very high	94 Å²	94	27.8 Å²	27.8	44%	0.439	16%	0.16	S	C	.	.	S	Bend	trans	-95.4	86.2	176	-70.4	-63	155	0	0	109.5	N205 E210 L211 A251	N205-E208 WeakPolarHBondContact CB-O 3.43Å; N205-E208 PolarHBondContact OD1-N 2.8Å; E208-E210 PolarHBondContact O-N 3.42Å; E208-E210 VanDerWaalsContact O-N 3.07Å; E208-L211 HydrophobicContact CB-CD1 4.01Å; E208-L211 HydrophobicContact CB-CG 4.41Å; E208-L211 PolarHBondContact O-N 2.89Å; E208-A251 HydrophobicContact CB-CB 4.33Å; E208-A251 HydrophobicContact CG-CB 3.63Å
209	T	93.4	Very high	94.2	Very high	17 Å²	17	29.7 Å²	29.7	10%	0.104	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-19.6	-161.8	63	0	0	0	0	114.9	H165 Q166 K167 F204 N205 V207 L211	H165-T209 PolarHBondContact CD2-O 2.67Å; H165-T209 PolarHBondContact CE1-OG1 2.92Å; H165-T209 WeakPolarHBondContact NE2-CB 3.41Å; H165-T209 PolarHBondContact NE2-O 2.93Å; H165-T209 VanDerWaalsContact NE2-O 3.16Å; H165-T209 PolarHBondContact NE2-OG1 2.95Å; Q166-T209 HydrophobicContact CB-CG2 3.96Å; K167-T209 HydrophobicContact CD-CG2 4.42Å; F204-T209 WeakPolarHBondContact CD1-O 3.49Å; N205-T209 WeakPolarHBondContact O-CA 3.49Å; V207-T209 PolarHBondContact O-N 2.76Å; T209-L211 VanDerWaalsContact C-N 3.29Å; T209-L211 PolarHBondContact O-N 3.37Å
210	E	93.8	Very high	94.2	Very high	43 Å²	43	29.3 Å²	29.3	20%	0.201	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-5.9	177.5	-57.8	-59.8	157.5	0	0	113.3	H165 E208 M226	H165-E210 IonicContact NE2-OE1 3.69Å; E208-E210 PolarHBondContact O-N 3.42Å; E208-E210 VanDerWaalsContact O-N 3.07Å; E210-M226 HydrophobicContact CB-CB 4.16Å; E210-M226 VanDerWaalsContact O-CB 3.28Å; E210-M226 WeakPolarHBondContact O-CB 3.35Å; E210-M226 WeakPolarHBondContact O-CG 3.36Å; E210-M226 PolarHBondContact O-N 2.68Å; E210-M226 WeakPolarHBondContact OE2-CB 3.48Å
211	L	95.1	Very high	94.3	Very high	26 Å²	26	27.4 Å²	27.4	14%	0.136	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	138.7	176.3	-65.3	175.8	0	0	0	110.8	N205 E208 T209 D225 L232 M268	N205-L211 HydrophobicContact CB-CB 4.1Å; N205-L211 WeakPolarHBondContact CB-O 3.12Å; N205-L211 PolarHBondContact N-O 3.25Å; E208-L211 HydrophobicContact CB-CD1 4.01Å; E208-L211 HydrophobicContact CB-CG 4.41Å; E208-L211 PolarHBondContact O-N 2.89Å; T209-L211 VanDerWaalsContact C-N 3.29Å; T209-L211 PolarHBondContact O-N 3.37Å; L211-D225 HydrophobicContact CD2-CB 4.11Å; L211-L232 HydrophobicContact CD2-CD1 3.78Å; L211-M268 HydrophobicContact CD1-CE 3.72Å; L211-M268 HydrophobicContact CD1-SD 3.64Å
212	L	95.1	Very high	94.4	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	154.2	170.9	65.7	123.4	0	0	0	111.4	V178 V202 R203 F204 L223 Y224 M226	V178-L212 HydrophobicContact CG1-CD1 3.84Å; V202-L212 HydrophobicContact CG1-CD1 4.11Å; R203-L212 WeakPolarHBondContact O-CA 3.32Å; F204-L212 HydrophobicContact CD1-CB 4.01Å; F204-L212 HydrophobicContact CE1-CB 4.19Å; F204-L212 HydrophobicContact CE1-CD2 4.06Å; L212-L223 WeakPolarHBondContact O-CA 3.15Å; L212-Y224 HydrophobicContact CD1-CD2 3.27Å; L212-Y224 HydrophobicContact CD1-CE2 3.95Å; L212-Y224 HydrophobicContact CD1-CG 3.85Å; L212-Y224 HydrophobicContact CG-CD2 3.76Å; L212-Y224 HydrophobicContact CG-CG 4.12Å; L212-Y224 PolarHBondContact N-O 3.4Å; L212-Y224 PolarHBondContact O-N 3.31Å; L212-M226 HydrophobicContact CD2-CG 3.76Å; L212-M226 HydrophobicContact CD2-SD 3.4Å; L212-M226 WeakPolarHBondContact CD2-SD 3.47Å
213	G	95.3	Very high	94.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	140.1	173.8	0	0	0	0	0	110.5	V202 R203 V222	V202-G213 WeakPolarHBondContact CA-O 3.2Å; R203-G213 PolarHBondContact N-O 3.38Å; R203-G213 PolarHBondContact O-N 3.4Å; G213-V222 CarbonylContact C-O 3.54Å; G213-V222 WeakPolarHBondContact CA-O 3.37Å
214	S	95.3	Very high	94.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	147.8	172.1	74.2	0	0	0	0	112	F199 S201 I221 V222 Y224	F199-S214 VanDerWaalsContact CD1-OG 3.24Å; F199-S214 WeakPolarHBondContact CD1-OG 3.35Å; F199-S214 WeakPolarHBondContact CE1-OG 3.31Å; S201-S214 CarbonylContact O-C 3.57Å; S201-S214 WeakPolarHBondContact O-CA 3.42Å; S201-S214 WeakPolarHBondContact O-CB 3.31Å; S214-I221 WeakPolarHBondContact O-CA 3.27Å; S214-V222 PolarHBondContact N-O 3.23Å; S214-V222 PolarHBondContact O-N 3.11Å; S214-Y224 WeakPolarHBondContact OG-CE2 3.13Å; S214-Y224 PolarHBondContact OG-OH 3.4Å
215	C	94.7	Very high	94.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	138.2	165.2	-67.7	0	0	0	0	109.8	F199 S200 S201 T241 I244	F199-C215 CarbonylContact C-O 3.53Å; F199-C215 VanDerWaalsContact CA-O 3.25Å; F199-C215 WeakPolarHBondContact CA-O 3.4Å; F199-C215 WeakPolarHBondContact CB-O 3.5Å; S200-C215 PolarHBondContact N-O 3.37Å; S200-C215 WeakPolarHBondContact OG-CB 3.14Å; S201-C215 PolarHBondContact O-N 2.73Å; S201-C215 PolarHBondContact OG-SG 3.09Å; S201-C215 VanDerWaalsContact OG-SG 3.42Å; C215-T241 VanDerWaalsContact CB-O 3.31Å; C215-T241 WeakPolarHBondContact CB-O 3.24Å; C215-T241 PolarHBondContact SG-OG1 3.35Å; C215-T241 VanDerWaalsContact SG-OG1 3.41Å; C215-I244 HydrophobicContact CB-CD1 4.45Å; C215-I244 WeakPolarHBondContact SG-CD1 3.4Å; C215-I244 WeakPolarHBondContact SG-CG1 3.33Å
216	A	93.4	Very high	93.8	Very high	2 Å²	2	25.9 Å²	25.9	2%	0.017	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	156.4	173.7	0	0	0	0	0	112.8	F199 D218 R219 S220	F199-A216 HydrophobicContact CD1-CB 3.69Å; F199-A216 HydrophobicContact CE1-CB 3.85Å; F199-A216 HydrophobicContact CG-CB 4.46Å; A216-D218 WeakPolarHBondContact CB-OD1 3.34Å; A216-D218 PolarHBondContact O-N 2.67Å; A216-R219 PolarHBondContact O-N 2.66Å; A216-S220 WeakPolarHBondContact CB-OG 3.24Å; A216-S220 PolarHBondContact N-O 2.83Å
217	S	91.3	Very high	93.7	Very high	78 Å²	78	31.9 Å²	31.9	55%	0.545	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-26.6	-178.4	-168.7	0	0	0	0	113	S198 R219	S198-S217 VanDerWaalsContact O-CB 3.32Å; S198-S217 WeakPolarHBondContact O-CB 3.44Å; S198-S217 PolarHBondContact O-N 2.78Å; S217-R219 PolarHBondContact O-N 2.68Å
218	D	89.6	Confident	93.4	Very high	33 Å²	33	33.4 Å²	33.4	18%	0.176	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	10.8	175.4	75	-26.9	0	0	0	114.2	D197 A216 S220 K234	D197-D218 HydrophobicContact CB-CB 4.41Å; D197-D218 WeakPolarHBondContact OD2-CB 3.35Å; A216-D218 WeakPolarHBondContact CB-OD1 3.34Å; A216-D218 PolarHBondContact O-N 2.67Å; D218-S220 VanDerWaalsContact C-N 3.26Å; D218-S220 VanDerWaalsContact CG-OG 3.32Å; D218-S220 WeakPolarHBondContact OD1-CB 3.35Å; D218-S220 PolarHBondContact OD1-N 3.23Å; D218-S220 PolarHBondContact OD1-OG 2.87Å; D218-S220 PolarHBondContact OD2-OG 2.92Å; D218-K234 WeakPolarHBondContact OD2-CE 3.45Å; D218-K234 IonicContact OD2-NZ 3.76Å; D218-K234 PolarHBondContact OD2-NZ 2.91Å
219	R	92.8	Very high	92.9	Very high	102 Å²	102	33.5 Å²	33.5	39%	0.385	17%	0.168	S	C	.	.	S	Bend	trans	73.8	15.9	-177.1	-42.8	163.3	-72.7	177.1	-1.2	113.9	A216 S217 M237 T238 R240	A216-R219 PolarHBondContact O-N 2.66Å; S217-R219 PolarHBondContact O-N 2.68Å; R219-M237 WeakPolarHBondContact CB-O 3.32Å; R219-M237 WeakPolarHBondContact O-CB 3.48Å; R219-M237 PolarHBondContact O-N 2.71Å; R219-T238 WeakPolarHBondContact CD-O 3.33Å; R219-T238 PolarHBondContact NH1-O 2.85Å; R219-R240 HydrophobicContact CG-CB 4.18Å
220	S	93.1	Very high	92.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	150.3	-179.7	76.5	0	0	0	0	113.9	A216 D218 K234 V235	A216-S220 WeakPolarHBondContact CB-OG 3.24Å; A216-S220 PolarHBondContact N-O 2.83Å; D218-S220 VanDerWaalsContact C-N 3.26Å; D218-S220 VanDerWaalsContact CG-OG 3.32Å; D218-S220 WeakPolarHBondContact OD1-CB 3.35Å; D218-S220 PolarHBondContact OD1-N 3.23Å; D218-S220 PolarHBondContact OD1-OG 2.87Å; D218-S220 PolarHBondContact OD2-OG 2.92Å; S220-K234 VanDerWaalsContact OG-CE 3.22Å; S220-K234 WeakPolarHBondContact OG-CE 3.33Å; S220-V235 CarbonylContact C-O 3.22Å; S220-V235 WeakPolarHBondContact CA-O 3.27Å; S220-V235 WeakPolarHBondContact CB-O 3.24Å
221	I	94.6	Very high	92.4	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	124.2	164.2	-60.3	154.1	0	0	0	106.3	S214 K234 V235 M237 T241 I244 F254 C256 Y266	S214-I221 WeakPolarHBondContact O-CA 3.27Å; I221-K234 CarbonylContact O-C 3.52Å; I221-K234 WeakPolarHBondContact O-CA 3.27Å; I221-V235 HydrophobicContact CB-CB 4.37Å; I221-V235 PolarHBondContact N-O 2.81Å; I221-V235 PolarHBondContact O-N 3.1Å; I221-M237 HydrophobicContact CD1-CG 4.24Å; I221-M237 HydrophobicContact CD1-SD 3.73Å; I221-T241 HydrophobicContact CD1-CG2 4Å; I221-T241 HydrophobicContact CG1-CG2 3.95Å; I221-I244 HydrophobicContact CG2-CD1 3.76Å; I221-F254 HydrophobicContact CG2-CE2 4.05Å; I221-F254 HydrophobicContact CG2-CZ 4.32Å; I221-C256 HydrophobicContact CD1-CB 4.26Å; I221-C256 WeakPolarHBondContact CD1-SG 3.18Å; I221-Y266 HydrophobicContact CD1-CD2 4.36Å; I221-Y266 HydrophobicContact CD1-CE2 3.94Å
222	V	94.7	Very high	92.2	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	133.7	178.4	-172.8	0	0	0	0	109	F199 G213 S214 Y224 P231 K233 K234	F199-V222 HydrophobicContact CE1-CG2 4.2Å; G213-V222 CarbonylContact C-O 3.54Å; G213-V222 WeakPolarHBondContact CA-O 3.37Å; S214-V222 PolarHBondContact N-O 3.23Å; S214-V222 PolarHBondContact O-N 3.11Å; V222-Y224 HydrophobicContact CB-CE2 3.97Å; V222-Y224 WeakPolarHBondContact CB-OH 3.41Å; V222-Y224 HydrophobicContact CG1-CD1 4.4Å; V222-Y224 HydrophobicContact CG1-CD2 4.48Å; V222-Y224 HydrophobicContact CG1-CE1 3.73Å; V222-Y224 HydrophobicContact CG1-CE2 3.84Å; V222-Y224 VanDerWaalsContact CG1-CZ 3.41Å; V222-Y224 WeakPolarHBondContact CG1-OH 3.05Å; V222-P231 HydrophobicContact CG1-CB 3.82Å; V222-K233 WeakPolarHBondContact CA-O 3.33Å; V222-K234 HydrophobicContact CG2-CB 4.2Å; V222-K234 HydrophobicContact CG2-CD 4.23Å; V222-K234 HydrophobicContact CG2-CG 3.98Å
223	L	95.3	Very high	92	Very high	8 Å²	8	39.3 Å²	39.3	4%	0.042	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	141.3	173.7	-58.5	-177.1	0	0	0	109.5	L212 L232 K233 W246 F254 M268 L271	L212-L223 WeakPolarHBondContact O-CA 3.15Å; L223-L232 HydrophobicContact CB-CB 4.41Å; L223-L232 WeakPolarHBondContact O-CB 3.35Å; L223-L232 PolarHBondContact O-N 2.93Å; L223-K233 PolarHBondContact N-O 2.89Å; L223-W246 HydrophobicContact CD2-CH2 3.95Å; L223-W246 HydrophobicContact CD2-CZ2 3.95Å; L223-F254 HydrophobicContact CD1-CE1 4.32Å; L223-F254 HydrophobicContact CD2-CE1 4.25Å; L223-F254 HydrophobicContact CD2-CZ 4.29Å; L223-M268 HydrophobicContact CD1-CB 3.89Å; L223-L271 HydrophobicContact CD1-CD1 3.86Å; L223-L271 HydrophobicContact CD1-CD2 4.45Å
224	Y	94.2	Very high	91.9	Very high	1 Å²	1	40.1 Å²	40.1	0%	0.004	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	147.6	177.4	-40.7	-105	0	0	0	110.2	V178 F192 F199 L212 S214 V222 P231	V178-Y224 HydrophobicContact CB-CE1 4.48Å; V178-Y224 HydrophobicContact CG1-CE2 4.46Å; V178-Y224 HydrophobicContact CG2-CE2 4.2Å; V178-Y224 WeakPolarHBondContact CG2-OH 3.45Å; F192-Y224 HydrophobicContact CB-CD1 3.76Å; F192-Y224 HydrophobicContact CB-CE1 3.5Å; F192-Y224 VanDerWaalsContact CB-CE1 3.5Å; F192-Y224 HydrophobicContact CD1-CD1 4.05Å; F192-Y224 AromaticContact CD2-CD1 3.43Å; F192-Y224 HydrophobicContact CD2-CD1 3.43Å; F192-Y224 VanDerWaalsContact CD2-CD1 3.43Å; F192-Y224 AromaticContact CD2-CE1 3.95Å; F192-Y224 HydrophobicContact CD2-CE1 3.95Å; F192-Y224 HydrophobicContact CD2-CG 4.05Å; F192-Y224 HydrophobicContact CE1-CD1 4.45Å; F192-Y224 AromaticContact CE2-CD1 3.85Å; F192-Y224 HydrophobicContact CE2-CD1 3.85Å; F192-Y224 HydrophobicContact CE2-CG 4.13Å; F192-Y224 AromaticContact CG-CD1 3.51Å; F192-Y224 HydrophobicContact CG-CD1 3.51Å; F192-Y224 AromaticContact CG-CE1 3.82Å; F192-Y224 HydrophobicContact CG-CE1 3.82Å; F192-Y224 HydrophobicContact CZ-CD1 4.36Å; F199-Y224 WeakPolarHBondContact CE1-OH 3.17Å; F199-Y224 WeakPolarHBondContact CZ-OH 3.17Å; L212-Y224 HydrophobicContact CD1-CD2 3.27Å; L212-Y224 HydrophobicContact CD1-CE2 3.95Å; L212-Y224 HydrophobicContact CD1-CG 3.85Å; L212-Y224 HydrophobicContact CG-CD2 3.76Å; L212-Y224 HydrophobicContact CG-CG 4.12Å; L212-Y224 PolarHBondContact N-O 3.4Å; L212-Y224 PolarHBondContact O-N 3.31Å; S214-Y224 WeakPolarHBondContact OG-CE2 3.13Å; S214-Y224 PolarHBondContact OG-OH 3.4Å; V222-Y224 HydrophobicContact CB-CE2 3.97Å; V222-Y224 WeakPolarHBondContact CB-OH 3.41Å; V222-Y224 HydrophobicContact CG1-CD1 4.4Å; V222-Y224 HydrophobicContact CG1-CD2 4.48Å; V222-Y224 HydrophobicContact CG1-CE1 3.73Å; V222-Y224 HydrophobicContact CG1-CE2 3.84Å; V222-Y224 VanDerWaalsContact CG1-CZ 3.41Å; V222-Y224 WeakPolarHBondContact CG1-OH 3.05Å; Y224-P231 HydrophobicContact CD1-CB 3.48Å; Y224-P231 VanDerWaalsContact CD1-CB 3.48Å; Y224-P231 HydrophobicContact CE1-CB 3.66Å; Y224-P231 HydrophobicContact CG-CB 4.34Å
225	D	93.6	Very high	91.8	Very high	23 Å²	23	40.1 Å²	40.1	12%	0.123	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	128.6	163.4	-162.4	-31.5	0	0	0	108.4	L211 R227 E228 L232	L211-D225 HydrophobicContact CD2-CB 4.11Å; D225-R227 PolarHBondContact O-N 3.06Å; D225-R227 WeakPolarHBondContact OD1-CB 3.38Å; D225-R227 WeakPolarHBondContact OD1-CG 2.93Å; D225-R227 PolarHBondContact OD1-N 2.91Å; D225-E228 HydrophobicContact CB-CB 4.36Å; D225-E228 HydrophobicContact CB-CG 4.35Å; D225-E228 PolarHBondContact O-N 2.82Å; D225-L232 HydrophobicContact CB-CD1 3.87Å; D225-L232 HydrophobicContact CB-CD2 4.14Å; D225-L232 HydrophobicContact CB-CG 3.93Å
226	M	90.7	Very high	91.8	Very high	11 Å²	11	41.7 Å²	41.7	5%	0.054	21%	0.213	C	C	.	.	S	Bend	trans	-66.4	-7.2	171.3	-64.5	-73.1	-58.7	0	0	112.4	V170 I180 R190 F204 E210 L212	V170-M226 HydrophobicContact CG1-CE 3.79Å; I180-M226 HydrophobicContact CB-CE 4.23Å; I180-M226 HydrophobicContact CD1-CE 3.61Å; I180-M226 HydrophobicContact CD1-SD 3.17Å; I180-M226 WeakPolarHBondContact CD1-SD 3.36Å; I180-M226 HydrophobicContact CG1-CE 3.86Å; I180-M226 HydrophobicContact CG1-SD 3.53Å; I180-M226 VanDerWaalsContact CG1-SD 3.53Å; I180-M226 HydrophobicContact CG2-CE 3.34Å; I180-M226 HydrophobicContact CG2-SD 4.19Å; R190-M226 PolarHBondContact NH1-O 3Å; R190-M226 PolarHBondContact NH2-O 2.97Å; F204-M226 HydrophobicContact CE1-CG 4.18Å; F204-M226 HydrophobicContact CE1-SD 4Å; F204-M226 HydrophobicContact CZ-SD 4.35Å; E210-M226 HydrophobicContact CB-CB 4.16Å; E210-M226 VanDerWaalsContact O-CB 3.28Å; E210-M226 WeakPolarHBondContact O-CB 3.35Å; E210-M226 WeakPolarHBondContact O-CG 3.36Å; E210-M226 PolarHBondContact O-N 2.68Å; E210-M226 WeakPolarHBondContact OE2-CB 3.48Å; L212-M226 HydrophobicContact CD2-CG 3.76Å; L212-M226 HydrophobicContact CD2-SD 3.4Å; L212-M226 WeakPolarHBondContact CD2-SD 3.47Å
227	R	91.1	Very high	91.8	Very high	172 Å²	172	41.6 Å²	41.6	65%	0.649	21%	0.212	S	C	*	.	S	Bend	trans	-90.3	-29	175.9	-62.9	165.8	-175.6	169	5.6	111.4	D225	D225-R227 PolarHBondContact O-N 3.06Å; D225-R227 WeakPolarHBondContact OD1-CB 3.38Å; D225-R227 WeakPolarHBondContact OD1-CG 2.93Å; D225-R227 PolarHBondContact OD1-N 2.91Å
228	E	89.3	Confident	91.8	Very high	89 Å²	89	39.9 Å²	39.9	42%	0.416	20%	0.198	S	C	.	.	S	Bend	trans	-94.1	160.5	-179	-60.9	-174.3	173.5	0	0	110.9	R190 D225 L232	R190-E228 PolarHBondContact NH1-O 2.75Å; D225-E228 HydrophobicContact CB-CB 4.36Å; D225-E228 HydrophobicContact CB-CG 4.35Å; D225-E228 PolarHBondContact O-N 2.82Å; E228-L232 WeakPolarHBondContact OE2-CD2 3.48Å
229	S	84.9	Confident	92.1	Very high	96 Å²	96	42 Å²	42	67%	0.671	21%	0.208	S	C	*	.	S	Bend	trans	-94	-18.2	175.3	56.6	0	0	0	0	112.5	F192	F192-S229 WeakPolarHBondContact CD1-O 3.48Å; F192-S229 VanDerWaalsContact CE1-O 3.26Å; F192-S229 WeakPolarHBondContact CE1-O 3.39Å
230	T	87.9	Confident	92.1	Very high	81 Å²	81	41.4 Å²	41.4	50%	0.497	21%	0.206	S	C	.	.	S	Bend	trans	-101.6	148	175.4	50.5	0	0	0	0	110.1
231	P	89.5	Confident	92.2	Very high	14 Å²	14	41.5 Å²	41.5	9%	0.091	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	154.8	168.5	29.6	-34.6	0	0	0	110.5	W194 V222 Y224	W194-P231 HydrophobicContact CD2-CG 3.96Å; W194-P231 HydrophobicContact CE3-CB 4.38Å; W194-P231 HydrophobicContact CE3-CG 3.04Å; W194-P231 HydrophobicContact CH2-CG 4.27Å; W194-P231 HydrophobicContact CZ3-CG 3.24Å; V222-P231 HydrophobicContact CG1-CB 3.82Å; Y224-P231 HydrophobicContact CD1-CB 3.48Å; Y224-P231 VanDerWaalsContact CD1-CB 3.48Å; Y224-P231 HydrophobicContact CE1-CB 3.66Å; Y224-P231 HydrophobicContact CG-CB 4.34Å
232	L	90.3	Very high	92.3	Very high	50 Å²	50	42 Å²	42	26%	0.262	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	-54.7	-173.6	-75.8	173.4	0	0	0	113.2	L211 L223 D225 E228 K445	L211-L232 HydrophobicContact CD2-CD1 3.78Å; L223-L232 HydrophobicContact CB-CB 4.41Å; L223-L232 WeakPolarHBondContact O-CB 3.35Å; L223-L232 PolarHBondContact O-N 2.93Å; D225-L232 HydrophobicContact CB-CD1 3.87Å; D225-L232 HydrophobicContact CB-CD2 4.14Å; D225-L232 HydrophobicContact CB-CG 3.93Å; E228-L232 WeakPolarHBondContact OE2-CD2 3.48Å; L232-K445 VanDerWaalsContact O-OXT 3.11Å
233	K	91.3	Very high	92.4	Very high	63 Å²	63	42.8 Å²	42.8	27%	0.274	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	149.4	-173.5	-68.2	-173.6	-176.1	170.9	0	110.4	V222 L223 R269 L271	V222-K233 WeakPolarHBondContact CA-O 3.33Å; L223-K233 PolarHBondContact N-O 2.89Å; K233-R269 PolarHBondContact NZ-O 2.92Å; K233-L271 HydrophobicContact CB-CD1 3.82Å; K233-L271 HydrophobicContact CD-CD1 3.72Å; K233-L271 HydrophobicContact CG-CD1 4.42Å
234	K	92.3	Very high	92.4	Very high	17 Å²	17	42.5 Å²	42.5	7%	0.074	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	129.8	175.1	173.8	174.6	-178.8	166.7	0	110.7	W194 D218 S220 I221 V222 I236 V443 V444	W194-K234 VanDerWaalsContact CD1-CD 3.4Å; W194-K234 HydrophobicContact CG-CD 4.33Å; W194-K234 VanDerWaalsContact NE1-CD 3.27Å; D218-K234 WeakPolarHBondContact OD2-CE 3.45Å; D218-K234 IonicContact OD2-NZ 3.76Å; D218-K234 PolarHBondContact OD2-NZ 2.91Å; S220-K234 VanDerWaalsContact OG-CE 3.22Å; S220-K234 WeakPolarHBondContact OG-CE 3.33Å; I221-K234 CarbonylContact O-C 3.52Å; I221-K234 WeakPolarHBondContact O-CA 3.27Å; V222-K234 HydrophobicContact CG2-CB 4.2Å; V222-K234 HydrophobicContact CG2-CD 4.23Å; V222-K234 HydrophobicContact CG2-CG 3.98Å; K234-I236 HydrophobicContact CG-CG1 4.38Å; K234-V443 CarbonylContact O-C 3.53Å; K234-V443 WeakPolarHBondContact O-CA 3.48Å; K234-V444 HydrophobicContact CB-CB 4.25Å; K234-V444 PolarHBondContact N-O 3.27Å; K234-V444 PolarHBondContact O-N 3.47Å
235	V	93.5	Very high	92.6	Very high	1 Å²	1	43 Å²	43	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	119.5	178.6	-175.4	0	0	0	0	108.4	S220 I221 L271 V440 V443	S220-V235 CarbonylContact C-O 3.22Å; S220-V235 WeakPolarHBondContact CA-O 3.27Å; S220-V235 WeakPolarHBondContact CB-O 3.24Å; I221-V235 HydrophobicContact CB-CB 4.37Å; I221-V235 PolarHBondContact N-O 2.81Å; I221-V235 PolarHBondContact O-N 3.1Å; V235-L271 HydrophobicContact CG2-CB 3.53Å; V235-L271 HydrophobicContact CG2-CD1 3.51Å; V235-L271 HydrophobicContact CG2-CD2 4.03Å; V235-L271 HydrophobicContact CG2-CG 3.87Å; V235-V440 HydrophobicContact CG1-CG1 3.99Å; V235-V443 HydrophobicContact CG1-CG2 4.35Å; V235-V443 HydrophobicContact CG2-CG1 4.49Å; V235-V443 HydrophobicContact CG2-CG2 4.38Å
236	I	93.8	Very high	92.8	Very high	33 Å²	33	42.3 Å²	42.3	17%	0.169	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	120.3	178.8	-56.1	179.8	0	0	0	108.8	K234 V441 S442	K234-I236 HydrophobicContact CG-CG1 4.38Å; I236-V441 HydrophobicContact CG2-CB 4.35Å; I236-V441 WeakPolarHBondContact O-CB 3.42Å; I236-V441 PolarHBondContact O-N 3.44Å; I236-S442 PolarHBondContact N-O 2.66Å; I236-S442 PolarHBondContact O-N 3.48Å
237	M	93.3	Very high	93.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	169.5	178	-61.7	-159.2	65.4	0	0	112.4	R219 I221 T241 N258 Y264 Y266 H439	R219-M237 WeakPolarHBondContact CB-O 3.32Å; R219-M237 WeakPolarHBondContact O-CB 3.48Å; R219-M237 PolarHBondContact O-N 2.71Å; I221-M237 HydrophobicContact CD1-CG 4.24Å; I221-M237 HydrophobicContact CD1-SD 3.73Å; M237-T241 HydrophobicContact CG-CG2 4.48Å; M237-T241 HydrophobicContact SD-CG2 3.53Å; M237-T241 VanDerWaalsContact SD-CG2 3.53Å; M237-N258 PolarHBondContact SD-ND2 3.31Å; M237-Y264 HydrophobicContact CE-CD1 4.18Å; M237-Y264 HydrophobicContact CE-CD2 3.39Å; M237-Y264 HydrophobicContact CE-CE1 4.24Å; M237-Y264 HydrophobicContact CE-CE2 3.41Å; M237-Y264 VanDerWaalsContact CE-CE2 3.41Å; M237-Y264 HydrophobicContact CE-CG 3.79Å; M237-Y264 HydrophobicContact SD-CD2 4.24Å; M237-Y266 WeakPolarHBondContact CE-OH 3.36Å; M237-Y266 HydrophobicContact SD-CE2 4.2Å; M237-H439 WeakPolarHBondContact CA-O 3.46Å; M237-H439 HydrophobicContact CE-CB 4.19Å
238	T	92.9	Very high	93.3	Very high	42 Å²	42	35.4 Å²	35.4	26%	0.258	19%	0.189	S	C	.	.	S	Bend	trans	-63.4	-41.6	175.8	42.6	0	0	0	0	113.6	R219 D260 H439 V441	R219-T238 WeakPolarHBondContact CD-O 3.33Å; R219-T238 PolarHBondContact NH1-O 2.85Å; T238-D260 PolarHBondContact OG1-OD2 3.1Å; T238-H439 PolarHBondContact N-O 3.41Å; T238-V441 HydrophobicContact CG2-CG2 4.15Å
239	M	94.3	Very high	93.6	Very high	76 Å²	76	37.1 Å²	37.1	37%	0.374	20%	0.199	S	C	.	.	S	Bend	trans	-131.7	164.8	177.7	-69	-63.6	-75.3	0	0	111	N258 E259 D260	M239-N258 WeakPolarHBondContact CB-OD1 3.37Å; M239-N258 PolarHBondContact O-ND2 2.92Å; M239-N258 PolarHBondContact O-OD1 3.12Å; M239-E259 HydrophobicContact CB-CB 4.31Å; M239-E259 HydrophobicContact CE-CB 4.42Å; M239-D260 HydrophobicContact CB-CB 4.43Å; M239-D260 VanDerWaalsContact CB-CG 3.49Å; M239-D260 WeakPolarHBondContact CB-OD1 3.33Å; M239-D260 VanDerWaalsContact CG-CG 3.45Å; M239-D260 WeakPolarHBondContact CG-OD1 3.47Å
240	R	94.3	Very high	94.1	Very high	91 Å²	91	35 Å²	35	34%	0.343	18%	0.179	S	C	.	.			trans	-70.2	141	-170.9	78.5	-172.9	170.9	94.1	2.1	112.6	R219 N242 N258 E259	R219-R240 HydrophobicContact CG-CB 4.18Å; R240-N242 VanDerWaalsContact CZ-OD1 3.26Å; R240-N242 PolarHBondContact NH1-OD1 3.2Å; R240-N258 PolarHBondContact O-OD1 3.36Å; R240-E259 WeakPolarHBondContact CD-OE2 3.4Å; R240-E259 HydrophobicContact CG-CB 4.31Å; R240-E259 HydrophobicContact CG-CG 3.56Å; R240-E259 VanDerWaalsContact CG-OE2 3.27Å; R240-E259 WeakPolarHBondContact CG-OE2 3.24Å; R240-E259 IonicContact CZ-OE1 2.72Å; R240-E259 IonicContact CZ-OE2 3.58Å; R240-E259 IonicContact NE-OE1 3.54Å; R240-E259 PolarHBondContact NE-OE1 3.48Å; R240-E259 IonicContact NE-OE2 3.47Å; R240-E259 PolarHBondContact NE-OE2 3.37Å; R240-E259 IonicContact NH2-OE1 3.48Å; R240-E259 PolarHBondContact NH2-OE1 2.84Å; R240-E259 PolarHBondContact O-N 3.06Å
241	T	95.5	Very high	94.3	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	127.8	170.9	47.5	0	0	0	0	109.8	S200 C215 I221 M237 C256 A257 N258	S200-T241 PolarHBondContact OG-O 3.2Å; C215-T241 VanDerWaalsContact CB-O 3.31Å; C215-T241 WeakPolarHBondContact CB-O 3.24Å; C215-T241 PolarHBondContact SG-OG1 3.35Å; C215-T241 VanDerWaalsContact SG-OG1 3.41Å; I221-T241 HydrophobicContact CD1-CG2 4Å; I221-T241 HydrophobicContact CG1-CG2 3.95Å; M237-T241 HydrophobicContact CG-CG2 4.48Å; M237-T241 HydrophobicContact SD-CG2 3.53Å; M237-T241 VanDerWaalsContact SD-CG2 3.53Å; T241-C256 HydrophobicContact CG2-CB 4.05Å; T241-A257 CarbonylContact C-O 3.59Å; T241-A257 VanDerWaalsContact CA-O 3.31Å; T241-A257 WeakPolarHBondContact CA-O 3.4Å; T241-N258 HydrophobicContact CG2-CB 4.3Å; T241-N258 WeakPolarHBondContact CG2-ND2 3.46Å
242	N	95.4	Very high	94.6	Very high	11 Å²	11	34.5 Å²	34.5	6%	0.059	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-54.9	-177.9	-68.1	-27.2	0	0	0	110.5	S200 S201 R240 A257 V285	S200-N242 PolarHBondContact OG-O 3Å; S201-N242 PolarHBondContact OG-O 3.01Å; R240-N242 VanDerWaalsContact CZ-OD1 3.26Å; R240-N242 PolarHBondContact NH1-OD1 3.2Å; N242-A257 PolarHBondContact N-O 2.84Å; N242-V285 PolarHBondContact ND2-O 3.41Å
243	T	96.2	Very high	94.9	Very high	19 Å²	19	34.7 Å²	34.7	12%	0.117	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	155.5	-178.6	64.3	0	0	0	0	112.7	S201 C256 A257 L286 D287 V288	S201-T243 WeakPolarHBondContact OG-CA 3.31Å; T243-C256 WeakPolarHBondContact O-CA 3.33Å; T243-A257 PolarHBondContact O-N 2.86Å; T243-L286 VanDerWaalsContact CG2-O 3.24Å; T243-L286 WeakPolarHBondContact CG2-O 3.38Å; T243-L286 PolarHBondContact OG1-O 2.96Å; T243-D287 WeakPolarHBondContact OG1-CA 2.98Å; T243-D287 PolarHBondContact OG1-OD1 3.37Å; T243-V288 PolarHBondContact OG1-N 2.95Å
244	I	96.4	Very high	95.2	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	148.5	170.2	-71.6	150.3	0	0	0	108.4	R203 C215 I221 F254	R203-I244 WeakPolarHBondContact CG-O 3.49Å; C215-I244 HydrophobicContact CB-CD1 4.45Å; C215-I244 WeakPolarHBondContact SG-CD1 3.4Å; C215-I244 WeakPolarHBondContact SG-CG1 3.33Å; I221-I244 HydrophobicContact CG2-CD1 3.76Å; I244-F254 HydrophobicContact CG2-CB 4.17Å; I244-F254 HydrophobicContact CG2-CD2 3.95Å; I244-F254 HydrophobicContact CG2-CG 4.36Å
245	S	97.3	Very high	95.4	Very high	11 Å²	11	30.9 Å²	30.9	8%	0.077	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	131.5	164.9	-174.4	0	0	0	0	109.8	F254 T255 V288 Y290	S245-F254 CarbonylContact O-C 3.56Å; S245-F254 WeakPolarHBondContact O-CA 3.5Å; S245-F254 WeakPolarHBondContact O-CB 3.41Å; S245-T255 PolarHBondContact N-O 3.42Å; S245-T255 PolarHBondContact O-N 3.39Å; S245-V288 WeakPolarHBondContact CB-O 3.45Å; S245-Y290 WeakPolarHBondContact O-CE2 3.22Å; S245-Y290 PolarHBondContact OG-N 3.26Å
246	W	97.7	Very high	95.6	Very high	9 Å²	9	30.9 Å²	30.9	3%	0.034	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	148.3	178	-66.9	94.3	0	0	0	111	R203 N205 P206 L223 P248 F254 M268 Y290	R203-W246 PolarHBondContact O-NE1 2.69Å; N205-W246 HydrophobicContact CB-CD2 3.82Å; N205-W246 HydrophobicContact CB-CE3 4.1Å; N205-W246 HydrophobicContact CB-CG 4.07Å; N205-W246 HydrophobicContact CB-CZ2 4.48Å; P206-W246 VanDerWaalsContact CD-CB 3.45Å; P206-W246 HydrophobicContact CG-CB 4.31Å; L223-W246 HydrophobicContact CD2-CH2 3.95Å; L223-W246 HydrophobicContact CD2-CZ2 3.95Å; W246-P248 WeakPolarHBondContact O-CD 3.4Å; W246-F254 HydrophobicContact CD2-CB 3.89Å; W246-F254 HydrophobicContact CE3-CB 3.75Å; W246-F254 HydrophobicContact CE3-CD1 4.13Å; W246-F254 HydrophobicContact CE3-CG 4.34Å; W246-F254 HydrophobicContact CG-CB 4.33Å; W246-F254 AromaticContact CH2-CD1 3.89Å; W246-F254 HydrophobicContact CH2-CD1 3.89Å; W246-F254 HydrophobicContact CH2-CE1 4.4Å; W246-F254 HydrophobicContact CZ3-CB 4.18Å; W246-F254 AromaticContact CZ3-CD1 3.66Å; W246-F254 HydrophobicContact CZ3-CD1 3.66Å; W246-F254 HydrophobicContact CZ3-CE1 4.49Å; W246-F254 HydrophobicContact CZ3-CG 4.29Å; W246-M268 HydrophobicContact CH2-SD 4.34Å; W246-M268 HydrophobicContact CZ3-CB 4.41Å; W246-M268 HydrophobicContact CZ3-SD 4.13Å; W246-Y290 VanDerWaalsContact O-CD2 3.3Å; W246-Y290 WeakPolarHBondContact O-CD2 3.33Å
247	N	97.3	Very high	95.7	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	14%	0.142	C	C	.	.			trans	-72.4	122.8	171.6	-176.9	-17.8	0	0	0	109.7	M249 E250 Y253 Y290 G294	N247-M249 PolarHBondContact O-N 3.21Å; N247-M249 PolarHBondContact OD1-N 3.35Å; N247-E250 HydrophobicContact CB-CB 4.43Å; N247-E250 WeakPolarHBondContact CB-O 3.29Å; N247-E250 PolarHBondContact ND2-OE2 2.88Å; N247-E250 VanDerWaalsContact ND2-OE2 3.17Å; N247-E250 PolarHBondContact OD1-N 3Å; N247-Y253 WeakPolarHBondContact CB-O 3.45Å; N247-Y253 PolarHBondContact N-O 2.93Å; N247-Y290 HydrophobicContact CB-CD1 4.21Å; N247-Y290 HydrophobicContact CB-CE1 3.88Å; N247-Y290 HydrophobicContact CB-CE2 4.43Å; N247-G294 PolarHBondContact ND2-O 2.89Å; N247-G294 WeakPolarHBondContact OD1-CA 3.4Å
248	P	95.6	Very high	95.9	Very high	37 Å²	37	29.3 Å²	29.3	24%	0.24	14%	0.142	C	C	.	.	S	Bend	trans	-72.2	-11.2	-176.4	28.6	-35.5	0	0	0	115.4	P206 V207 W246 Y290 S291	P206-P248 HydrophobicContact CG-CB 4.1Å; V207-P248 WeakPolarHBondContact CG2-O 3.44Å; W246-P248 WeakPolarHBondContact O-CD 3.4Å; P248-Y290 VanDerWaalsContact CD-CB 3.47Å; P248-S291 WeakPolarHBondContact CG-O 3.19Å
249	M	95.3	Very high	96	Very high	126 Å²	126	29.7 Å²	29.7	62%	0.621	14%	0.141	S	C	*	.	S	Bend	trans	-109.6	-31.9	178.5	-69	-70.8	172.8	0	0	112.6	N247 P292 T293	N247-M249 PolarHBondContact O-N 3.21Å; N247-M249 PolarHBondContact OD1-N 3.35Å; M249-P292 WeakPolarHBondContact CE-O 3.3Å; M249-T293 WeakPolarHBondContact CG-O 3.41Å
250	E	95.3	Very high	95.9	Very high	52 Å²	52	28 Å²	28	24%	0.243	13%	0.133	C	C	.	.			trans	-115.5	102.2	-178.8	-62.9	170.9	165.8	0	0	109.3	N247 Y252 Y253 K311	N247-E250 HydrophobicContact CB-CB 4.43Å; N247-E250 WeakPolarHBondContact CB-O 3.29Å; N247-E250 PolarHBondContact ND2-OE2 2.88Å; N247-E250 VanDerWaalsContact ND2-OE2 3.17Å; N247-E250 PolarHBondContact OD1-N 3Å; E250-Y252 PolarHBondContact O-N 2.86Å; E250-Y253 HydrophobicContact CB-CD2 3.84Å; E250-Y253 HydrophobicContact CG-CD2 4.46Å; E250-Y253 PolarHBondContact O-N 3.32Å; E250-Y253 WeakPolarHBondContact OE2-CD2 3.24Å; E250-Y253 WeakPolarHBondContact OE2-CE2 3.32Å; E250-K311 IonicContact OE1-NZ 2.65Å; E250-K311 PolarHBondContact OE1-NZ 2.76Å; E250-K311 IonicContact OE2-NZ 2.63Å; E250-K311 PolarHBondContact OE2-NZ 2.88Å
251	A	94	Very high	96	Very high	12 Å²	12	28.1 Å²	28.1	10%	0.099	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-30.2	-170.3	0	0	0	0	0	115.4	N205 V207 E208	N205-A251 PolarHBondContact ND2-O 3.2Å; V207-A251 HydrophobicContact CB-CB 3.71Å; V207-A251 HydrophobicContact CG1-CB 3.77Å; V207-A251 HydrophobicContact CG2-CB 4.45Å; E208-A251 HydrophobicContact CB-CB 4.33Å; E208-A251 HydrophobicContact CG-CB 3.63Å
252	Y	94.6	Very high	96	Very high	71 Å²	71	28.5 Å²	28.5	28%	0.278	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-6.7	-170.8	47.3	-90.8	0	0	0	114.2	E250 D267 M268	E250-Y252 PolarHBondContact O-N 2.86Å; Y252-D267 CarbonylContact O-C 3.49Å; Y252-D267 WeakPolarHBondContact O-CA 3.41Å; Y252-M268 PolarHBondContact O-N 3Å
253	Y	96.8	Very high	96	Very high	55 Å²	55	28 Å²	28	22%	0.216	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	133.7	174.6	-69.6	-61.9	0	0	0	111.7	N247 E250 T265 Y266 D267 V275	N247-Y253 WeakPolarHBondContact CB-O 3.45Å; N247-Y253 PolarHBondContact N-O 2.93Å; E250-Y253 HydrophobicContact CB-CD2 3.84Å; E250-Y253 HydrophobicContact CG-CD2 4.46Å; E250-Y253 PolarHBondContact O-N 3.32Å; E250-Y253 WeakPolarHBondContact OE2-CD2 3.24Å; E250-Y253 WeakPolarHBondContact OE2-CE2 3.32Å; Y253-T265 HydrophobicContact CD1-CG2 4.26Å; Y253-Y266 WeakPolarHBondContact CA-O 3.44Å; Y253-Y266 WeakPolarHBondContact CD1-O 3.44Å; Y253-D267 HydrophobicContact CD1-CB 4.27Å; Y253-D267 HydrophobicContact CE1-CB 3.97Å; Y253-V275 HydrophobicContact CD1-CG2 4.21Å; Y253-V275 HydrophobicContact CE1-CB 4.3Å; Y253-V275 HydrophobicContact CE1-CG1 4.16Å; Y253-V275 HydrophobicContact CE1-CG2 3.61Å
254	F	97.1	Very high	96	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	152.7	166.8	63.6	-87.4	0	0	0	110.1	I221 L223 I244 S245 W246 C256 T265 Y266 M268 L271	I221-F254 HydrophobicContact CG2-CE2 4.05Å; I221-F254 HydrophobicContact CG2-CZ 4.32Å; L223-F254 HydrophobicContact CD1-CE1 4.32Å; L223-F254 HydrophobicContact CD2-CE1 4.25Å; L223-F254 HydrophobicContact CD2-CZ 4.29Å; I244-F254 HydrophobicContact CG2-CB 4.17Å; I244-F254 HydrophobicContact CG2-CD2 3.95Å; I244-F254 HydrophobicContact CG2-CG 4.36Å; S245-F254 CarbonylContact O-C 3.56Å; S245-F254 WeakPolarHBondContact O-CA 3.5Å; S245-F254 WeakPolarHBondContact O-CB 3.41Å; W246-F254 HydrophobicContact CD2-CB 3.89Å; W246-F254 HydrophobicContact CE3-CB 3.75Å; W246-F254 HydrophobicContact CE3-CD1 4.13Å; W246-F254 HydrophobicContact CE3-CG 4.34Å; W246-F254 HydrophobicContact CG-CB 4.33Å; W246-F254 AromaticContact CH2-CD1 3.89Å; W246-F254 HydrophobicContact CH2-CD1 3.89Å; W246-F254 HydrophobicContact CH2-CE1 4.4Å; W246-F254 HydrophobicContact CZ3-CB 4.18Å; W246-F254 AromaticContact CZ3-CD1 3.66Å; W246-F254 HydrophobicContact CZ3-CD1 3.66Å; W246-F254 HydrophobicContact CZ3-CE1 4.49Å; W246-F254 HydrophobicContact CZ3-CG 4.29Å; F254-C256 VanDerWaalsContact CD2-SG 3.54Å; F254-C256 WeakPolarHBondContact CE2-SG 3.31Å; F254-T265 CarbonylContact O-C 3.56Å; F254-T265 VanDerWaalsContact O-CA 3.32Å; F254-T265 WeakPolarHBondContact O-CA 3.4Å; F254-Y266 AromaticContact CE2-CD2 3.91Å; F254-Y266 HydrophobicContact CE2-CD2 3.91Å; F254-Y266 HydrophobicContact CE2-CG 4.29Å; F254-Y266 HydrophobicContact CZ-CD2 4.23Å; F254-Y266 HydrophobicContact CZ-CG 4.17Å; F254-Y266 PolarHBondContact N-O 2.87Å; F254-Y266 VanDerWaalsContact N-O 3.15Å; F254-Y266 PolarHBondContact O-N 2.79Å; F254-M268 HydrophobicContact CD1-CB 4.42Å; F254-M268 HydrophobicContact CE1-CB 4.04Å; F254-L271 HydrophobicContact CE1-CD2 4.01Å; F254-L271 HydrophobicContact CZ-CD2 3.78Å
255	T	97.7	Very high	96.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	133.7	175.2	-62.5	0	0	0	0	109.7	S245 L263 Y264 T265 V288 Y290 F297	S245-T255 PolarHBondContact N-O 3.42Å; S245-T255 PolarHBondContact O-N 3.39Å; T255-L263 HydrophobicContact CG2-CB 3.82Å; T255-L263 HydrophobicContact CG2-CD2 3.99Å; T255-Y264 CarbonylContact C-O 3.58Å; T255-Y264 VanDerWaalsContact CA-O 3.27Å; T255-Y264 WeakPolarHBondContact CA-O 3.48Å; T255-T265 PolarHBondContact OG1-OG1 3.5Å; T255-V288 HydrophobicContact CG2-CG2 4.12Å; T255-Y290 WeakPolarHBondContact OG1-CE2 3.43Å; T255-Y290 PolarHBondContact OG1-OH 2.88Å; T255-F297 HydrophobicContact CG2-CE2 4.2Å; T255-F297 HydrophobicContact CG2-CZ 4.22Å
256	C	96.3	Very high	96	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	133.7	175.9	-56.7	0	0	0	0	110.3	I221 T241 T243 F254 L263 Y264	I221-C256 HydrophobicContact CD1-CB 4.26Å; I221-C256 WeakPolarHBondContact CD1-SG 3.18Å; T241-C256 HydrophobicContact CG2-CB 4.05Å; T243-C256 WeakPolarHBondContact O-CA 3.33Å; F254-C256 VanDerWaalsContact CD2-SG 3.54Å; F254-C256 WeakPolarHBondContact CE2-SG 3.31Å; C256-L263 VanDerWaalsContact O-CA 3.22Å; C256-L263 WeakPolarHBondContact O-CA 3.39Å; C256-L263 WeakPolarHBondContact O-CB 3.44Å; C256-Y264 PolarHBondContact N-O 3.36Å; C256-Y264 PolarHBondContact O-N 2.96Å
257	A	97.1	Very high	95.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	126.7	165.2	0	0	0	0	0	109.1	T241 N242 T243 L263 V285 V288	T241-A257 CarbonylContact C-O 3.59Å; T241-A257 VanDerWaalsContact CA-O 3.31Å; T241-A257 WeakPolarHBondContact CA-O 3.4Å; N242-A257 PolarHBondContact N-O 2.84Å; T243-A257 PolarHBondContact O-N 2.86Å; A257-L263 HydrophobicContact CB-CD2 4.38Å; A257-V285 HydrophobicContact CB-CB 3.95Å; A257-V285 HydrophobicContact CB-CG1 3.63Å; A257-V288 HydrophobicContact CB-CB 4.3Å; A257-V288 HydrophobicContact CB-CG1 4.07Å
258	N	96.1	Very high	95.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	154.4	-176.9	-162.4	-52.3	0	0	0	111.2	M237 M239 R240 T241 D260 N262 Y264 V285	M237-N258 PolarHBondContact SD-ND2 3.31Å; M239-N258 WeakPolarHBondContact CB-OD1 3.37Å; M239-N258 PolarHBondContact O-ND2 2.92Å; M239-N258 PolarHBondContact O-OD1 3.12Å; R240-N258 PolarHBondContact O-OD1 3.36Å; T241-N258 HydrophobicContact CG2-CB 4.3Å; T241-N258 WeakPolarHBondContact CG2-ND2 3.46Å; N258-D260 PolarHBondContact O-N 2.8Å; N258-D260 PolarHBondContact OD1-N 2.72Å; N258-N262 PolarHBondContact N-O 2.84Å; N258-Y264 HydrophobicContact CB-CD2 3.97Å; N258-Y264 HydrophobicContact CB-CE2 3.66Å; N258-V285 PolarHBondContact O-N 2.91Å; N258-V285 VanDerWaalsContact O-N 3.15Å
259	E	95.4	Very high	95.5	Very high	50 Å²	50	34.2 Å²	34.2	23%	0.234	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-22.4	169.5	-79.5	-156	134.9	0	0	114.6	M239 R240 Y261 A284	M239-E259 HydrophobicContact CB-CB 4.31Å; M239-E259 HydrophobicContact CE-CB 4.42Å; R240-E259 WeakPolarHBondContact CD-OE2 3.4Å; R240-E259 HydrophobicContact CG-CB 4.31Å; R240-E259 HydrophobicContact CG-CG 3.56Å; R240-E259 VanDerWaalsContact CG-OE2 3.27Å; R240-E259 WeakPolarHBondContact CG-OE2 3.24Å; R240-E259 IonicContact CZ-OE1 2.72Å; R240-E259 IonicContact CZ-OE2 3.58Å; R240-E259 IonicContact NE-OE1 3.54Å; R240-E259 PolarHBondContact NE-OE1 3.48Å; R240-E259 IonicContact NE-OE2 3.47Å; R240-E259 PolarHBondContact NE-OE2 3.37Å; R240-E259 IonicContact NH2-OE1 3.48Å; R240-E259 PolarHBondContact NH2-OE1 2.84Å; R240-E259 PolarHBondContact O-N 3.06Å; E259-Y261 WeakPolarHBondContact O-CD1 3.45Å; E259-Y261 WeakPolarHBondContact O-CE1 3.28Å; E259-Y261 PolarHBondContact O-N 2.93Å; E259-A284 HydrophobicContact CB-CB 4.45Å; E259-A284 HydrophobicContact CG-CB 4.23Å
260	D	93.6	Very high	95.4	Very high	41 Å²	41	34.4 Å²	34.4	22%	0.219	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	13	175.1	-86.6	-30	0	0	0	114.8	T238 M239 N258 N262 H439	T238-D260 PolarHBondContact OG1-OD2 3.1Å; M239-D260 HydrophobicContact CB-CB 4.43Å; M239-D260 VanDerWaalsContact CB-CG 3.49Å; M239-D260 WeakPolarHBondContact CB-OD1 3.33Å; M239-D260 VanDerWaalsContact CG-CG 3.45Å; M239-D260 WeakPolarHBondContact CG-OD1 3.47Å; N258-D260 PolarHBondContact O-N 2.8Å; N258-D260 PolarHBondContact OD1-N 2.72Å; D260-N262 PolarHBondContact O-N 2.82Å; D260-N262 PolarHBondContact O-ND2 3.08Å; D260-H439 IonicContact OD2-ND1 2.71Å
261	Y	94.8	Very high	95.1	Very high	93 Å²	93	32.1 Å²	32.1	37%	0.365	14%	0.141	S	C	.	.	S	Bend	trans	65.5	-0.5	-175.7	-37.4	-31.9	0	0	0	114.1	E259 H281 V282 S283 A284 L407	E259-Y261 WeakPolarHBondContact O-CD1 3.45Å; E259-Y261 WeakPolarHBondContact O-CE1 3.28Å; E259-Y261 PolarHBondContact O-N 2.93Å; Y261-H281 WeakPolarHBondContact O-CB 3.5Å; Y261-V282 WeakPolarHBondContact CD2-O 3.39Å; Y261-V282 WeakPolarHBondContact CE2-O 3.37Å; Y261-S283 WeakPolarHBondContact CA-O 3.3Å; Y261-S283 VanDerWaalsContact CD1-CA 3.4Å; Y261-S283 WeakPolarHBondContact CD1-O 3.44Å; Y261-A284 VanDerWaalsContact CD1-N 3.34Å; Y261-L407 HydrophobicContact CD2-CD1 4.25Å; Y261-L407 HydrophobicContact CD2-CD2 4.47Å; Y261-L407 HydrophobicContact CE2-CD1 4.44Å; Y261-L407 HydrophobicContact CE2-CD2 4.1Å
262	N	95.6	Very high	94.9	Very high	10 Å²	10	37.7 Å²	37.7	5%	0.053	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	160.6	-176.8	-57.2	-33.7	0	0	0	110.3	N258 D260 Y264 V277 H278	N258-N262 PolarHBondContact N-O 2.84Å; D260-N262 PolarHBondContact O-N 2.82Å; D260-N262 PolarHBondContact O-ND2 3.08Å; N262-Y264 HydrophobicContact CB-CE1 4.44Å; N262-Y264 HydrophobicContact CB-CE2 4.09Å; N262-Y264 PolarHBondContact ND2-OH 3.01Å; N262-V277 HydrophobicContact CB-CG1 4.15Å; N262-H278 WeakPolarHBondContact CA-O 3.42Å; N262-H278 WeakPolarHBondContact CB-O 3.31Å
263	L	96.8	Very high	94.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	148.4	163.3	-54.4	94	0	0	0	110.3	T255 C256 A257 H278 V285 V288 F297 F309	T255-L263 HydrophobicContact CG2-CB 3.82Å; T255-L263 HydrophobicContact CG2-CD2 3.99Å; C256-L263 VanDerWaalsContact O-CA 3.22Å; C256-L263 WeakPolarHBondContact O-CA 3.39Å; C256-L263 WeakPolarHBondContact O-CB 3.44Å; A257-L263 HydrophobicContact CB-CD2 4.38Å; L263-H278 HydrophobicContact CB-CB 4.04Å; L263-H278 HydrophobicContact CD1-CB 4.37Å; L263-H278 PolarHBondContact N-O 3.4Å; L263-H278 PolarHBondContact O-N 3.33Å; L263-V285 HydrophobicContact CD1-CG1 4.11Å; L263-V285 HydrophobicContact CD1-CG2 4.03Å; L263-V285 HydrophobicContact CD2-CG1 3.96Å; L263-V285 HydrophobicContact CG-CB 4.48Å; L263-V285 HydrophobicContact CG-CG1 3.97Å; L263-V285 HydrophobicContact CG-CG2 4.28Å; L263-V288 HydrophobicContact CD2-CB 3.9Å; L263-V288 HydrophobicContact CD2-CG2 3.7Å; L263-F297 HydrophobicContact CD2-CD2 4.44Å; L263-F297 HydrophobicContact CD2-CE2 3.89Å; L263-F309 HydrophobicContact CD1-CE2 4.06Å; L263-F309 HydrophobicContact CD1-CZ 4.42Å
264	Y	96.6	Very high	94.6	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	121	-177.3	-58.5	-83	0	0	0	109.4	M237 T255 C256 N258 N262 Y266 P274 V277 H439	M237-Y264 HydrophobicContact CE-CD1 4.18Å; M237-Y264 HydrophobicContact CE-CD2 3.39Å; M237-Y264 HydrophobicContact CE-CE1 4.24Å; M237-Y264 HydrophobicContact CE-CE2 3.41Å; M237-Y264 VanDerWaalsContact CE-CE2 3.41Å; M237-Y264 HydrophobicContact CE-CG 3.79Å; M237-Y264 HydrophobicContact SD-CD2 4.24Å; T255-Y264 CarbonylContact C-O 3.58Å; T255-Y264 VanDerWaalsContact CA-O 3.27Å; T255-Y264 WeakPolarHBondContact CA-O 3.48Å; C256-Y264 PolarHBondContact N-O 3.36Å; C256-Y264 PolarHBondContact O-N 2.96Å; N258-Y264 HydrophobicContact CB-CD2 3.97Å; N258-Y264 HydrophobicContact CB-CE2 3.66Å; N262-Y264 HydrophobicContact CB-CE1 4.44Å; N262-Y264 HydrophobicContact CB-CE2 4.09Å; N262-Y264 PolarHBondContact ND2-OH 3.01Å; Y264-Y266 HydrophobicContact CG-CE2 4.48Å; Y264-P274 HydrophobicContact CD1-CB 4.35Å; Y264-P274 HydrophobicContact CD1-CG 4.26Å; Y264-V277 HydrophobicContact CD1-CB 4.37Å; Y264-V277 HydrophobicContact CD1-CG1 3.99Å; Y264-V277 HydrophobicContact CD1-CG2 3.88Å; Y264-V277 HydrophobicContact CE1-CB 4.38Å; Y264-V277 HydrophobicContact CE1-CG1 3.63Å; Y264-V277 HydrophobicContact CE1-CG2 3.95Å; Y264-H439 HydrophobicContact CE1-CB 3.84Å; Y264-H439 AromaticContact CE1-CD2 3.69Å; Y264-H439 AromaticContact CE1-CG 3.76Å; Y264-H439 AromaticContact CZ-CG 3.78Å; Y264-H439 PolarHBondContact OH-CE1 3Å; Y264-H439 PolarHBondContact OH-ND1 2.83Å; Y264-H439 VanDerWaalsContact OH-ND1 3.15Å
265	T	96.6	Very high	94.4	Very high	6 Å²	6	37.7 Å²	37.7	4%	0.037	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	120.4	170.8	-56.8	0	0	0	0	108.7	Y253 F254 T255 P274 V275 K276 H278	Y253-T265 HydrophobicContact CD1-CG2 4.26Å; F254-T265 CarbonylContact O-C 3.56Å; F254-T265 VanDerWaalsContact O-CA 3.32Å; F254-T265 WeakPolarHBondContact O-CA 3.4Å; T255-T265 PolarHBondContact OG1-OG1 3.5Å; T265-P274 CarbonylContact O-C 3.51Å; T265-V275 WeakPolarHBondContact O-CB 3.48Å; T265-V275 PolarHBondContact O-N 2.98Å; T265-K276 PolarHBondContact N-O 3.5Å; T265-K276 PolarHBondContact O-N 3.13Å; T265-H278 PolarHBondContact OG1-CD2 2.93Å; T265-H278 PolarHBondContact OG1-NE2 3.36Å
266	Y	95.9	Very high	94.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	150.1	178.8	-74.2	-77	0	0	0	111.2	I221 M237 Y253 F254 Y264 L271 P274 V440	I221-Y266 HydrophobicContact CD1-CD2 4.36Å; I221-Y266 HydrophobicContact CD1-CE2 3.94Å; M237-Y266 WeakPolarHBondContact CE-OH 3.36Å; M237-Y266 HydrophobicContact SD-CE2 4.2Å; Y253-Y266 WeakPolarHBondContact CA-O 3.44Å; Y253-Y266 WeakPolarHBondContact CD1-O 3.44Å; F254-Y266 AromaticContact CE2-CD2 3.91Å; F254-Y266 HydrophobicContact CE2-CD2 3.91Å; F254-Y266 HydrophobicContact CE2-CG 4.29Å; F254-Y266 HydrophobicContact CZ-CD2 4.23Å; F254-Y266 HydrophobicContact CZ-CG 4.17Å; F254-Y266 PolarHBondContact N-O 2.87Å; F254-Y266 VanDerWaalsContact N-O 3.15Å; F254-Y266 PolarHBondContact O-N 2.79Å; Y264-Y266 HydrophobicContact CG-CE2 4.48Å; Y266-L271 HydrophobicContact CD1-CD2 4.41Å; Y266-L271 HydrophobicContact CG-CD2 4.41Å; Y266-P274 HydrophobicContact CD1-CB 4.02Å; Y266-P274 HydrophobicContact CE1-CB 3.68Å; Y266-P274 HydrophobicContact CE1-CG 4.26Å; Y266-V440 HydrophobicContact CE1-CG2 4.03Å; Y266-V440 VanDerWaalsContact OH-CG2 3.25Å; Y266-V440 WeakPolarHBondContact OH-CG2 3.31Å
267	D	95	Very high	94.2	Very high	18 Å²	18	41.5 Å²	41.5	10%	0.096	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	122.7	158.9	173.7	5.6	0	0	0	107.4	Y252 Y253 R269 H270 V275	Y252-D267 CarbonylContact O-C 3.49Å; Y252-D267 WeakPolarHBondContact O-CA 3.41Å; Y253-D267 HydrophobicContact CD1-CB 4.27Å; Y253-D267 HydrophobicContact CE1-CB 3.97Å; D267-R269 PolarHBondContact O-N 2.98Å; D267-R269 WeakPolarHBondContact OD1-CB 3.45Å; D267-R269 PolarHBondContact OD1-N 2.85Å; D267-H270 CarbonylContact O-C 3.58Å; D267-H270 PolarHBondContact O-N 3.21Å; D267-H270 VanDerWaalsContact O-O 3.14Å; D267-H270 IonicContact OD2-CG 4Å; D267-H270 IonicContact OD2-ND1 3.04Å; D267-H270 PolarHBondContact OD2-ND1 2.87Å; D267-V275 HydrophobicContact CB-CG2 3.92Å
268	M	93	Very high	94.1	Very high	33 Å²	33	41.5 Å²	41.5	16%	0.163	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-23.5	-178.7	68.2	170.5	162.5	0	0	113.8	L211 L223 W246 Y252 F254	L211-M268 HydrophobicContact CD1-CE 3.72Å; L211-M268 HydrophobicContact CD1-SD 3.64Å; L223-M268 HydrophobicContact CD1-CB 3.89Å; W246-M268 HydrophobicContact CH2-SD 4.34Å; W246-M268 HydrophobicContact CZ3-CB 4.41Å; W246-M268 HydrophobicContact CZ3-SD 4.13Å; Y252-M268 PolarHBondContact O-N 3Å; F254-M268 HydrophobicContact CD1-CB 4.42Å; F254-M268 HydrophobicContact CE1-CB 4.04Å
269	R	92.6	Very high	94	Very high	151 Å²	151	43.8 Å²	43.8	57%	0.57	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-39.6	178	-59.7	170	-178.3	176	0.1	111	K233 D267	K233-R269 PolarHBondContact NZ-O 2.92Å; D267-R269 PolarHBondContact O-N 2.98Å; D267-R269 WeakPolarHBondContact OD1-CB 3.45Å; D267-R269 PolarHBondContact OD1-N 2.85Å
270	H	92	Very high	93.9	Very high	130 Å²	130	42.6 Å²	42.6	60%	0.602	20%	0.2	S	C	*	.	B	Isolated β-bridge	trans	-121	84.3	-174.3	-56.5	97.4	0	0	0	110.9	D267	D267-H270 CarbonylContact O-C 3.58Å; D267-H270 PolarHBondContact O-N 3.21Å; D267-H270 VanDerWaalsContact O-O 3.14Å; D267-H270 IonicContact OD2-CG 4Å; D267-H270 IonicContact OD2-ND1 3.04Å; D267-H270 PolarHBondContact OD2-ND1 2.87Å
271	L	90.8	Very high	94.1	Very high	4 Å²	4	41 Å²	41	2%	0.021	19%	0.191	C	C	.	.			trans	-89	-8.7	-173.5	-69	173.8	0	0	0	114.8	L223 K233 V235 F254 Y266 N273 V443	L223-L271 HydrophobicContact CD1-CD1 3.86Å; L223-L271 HydrophobicContact CD1-CD2 4.45Å; K233-L271 HydrophobicContact CB-CD1 3.82Å; K233-L271 HydrophobicContact CD-CD1 3.72Å; K233-L271 HydrophobicContact CG-CD1 4.42Å; V235-L271 HydrophobicContact CG2-CB 3.53Å; V235-L271 HydrophobicContact CG2-CD1 3.51Å; V235-L271 HydrophobicContact CG2-CD2 4.03Å; V235-L271 HydrophobicContact CG2-CG 3.87Å; F254-L271 HydrophobicContact CE1-CD2 4.01Å; F254-L271 HydrophobicContact CZ-CD2 3.78Å; Y266-L271 HydrophobicContact CD1-CD2 4.41Å; Y266-L271 HydrophobicContact CG-CD2 4.41Å; L271-N273 VanDerWaalsContact C-N 3.3Å; L271-N273 PolarHBondContact O-N 2.67Å; L271-V443 HydrophobicContact CB-CG1 4.23Å; L271-V443 HydrophobicContact CB-CG2 4.23Å
272	E	89.6	Confident	94.1	Very high	129 Å²	129	37.1 Å²	37.1	60%	0.603	18%	0.177	S	C	*	.	S	Bend	trans	-63.7	-39.5	179.9	-66.4	176	-174.7	0	0	111.2	V440 V443	E272-V440 WeakPolarHBondContact O-CB 3.09Å; E272-V440 WeakPolarHBondContact O-CG2 3.25Å; E272-V443 HydrophobicContact CG-CG2 4.11Å
273	N	90.1	Very high	94.2	Very high	67 Å²	67	38 Å²	38	36%	0.358	18%	0.184	S	C	.	.	S	Bend	trans	-127.3	126.2	-174.9	-71.8	-9.4	0	0	0	111	L271 V275 E437	L271-N273 VanDerWaalsContact C-N 3.3Å; L271-N273 PolarHBondContact O-N 2.67Å; N273-V275 PolarHBondContact O-N 3.33Å; N273-E437 PolarHBondContact ND2-OE1 3.23Å; N273-E437 WeakPolarHBondContact OD1-CG 3.1Å
274	P	93.2	Very high	94.2	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.013	19%	0.189	C	C	.	.			trans	-65.7	137.4	172.7	26.6	-32.4	0	0	0	110.3	Y264 T265 Y266 K276 V277 K436	Y264-P274 HydrophobicContact CD1-CB 4.35Å; Y264-P274 HydrophobicContact CD1-CG 4.26Å; T265-P274 CarbonylContact O-C 3.51Å; Y266-P274 HydrophobicContact CD1-CB 4.02Å; Y266-P274 HydrophobicContact CE1-CB 3.68Å; Y266-P274 HydrophobicContact CE1-CG 4.26Å; P274-K276 VanDerWaalsContact C-N 3.29Å; P274-K276 PolarHBondContact O-N 2.94Å; P274-V277 HydrophobicContact CG-CG2 4.05Å; P274-K436 WeakPolarHBondContact CD-O 2.99Å; P274-K436 HydrophobicContact CG-CB 3.98Å; P274-K436 WeakPolarHBondContact CG-O 3.22Å; P274-K436 WeakPolarHBondContact O-CD 3.23Å
275	V	93.5	Very high	94.2	Very high	57 Å²	57	38.6 Å²	38.6	35%	0.345	19%	0.189	S	C	.	.	S	Bend	trans	-61	-44	176.3	176.6	0	0	0	0	109.5	Y253 T265 D267 N273 K436	Y253-V275 HydrophobicContact CD1-CG2 4.21Å; Y253-V275 HydrophobicContact CE1-CB 4.3Å; Y253-V275 HydrophobicContact CE1-CG1 4.16Å; Y253-V275 HydrophobicContact CE1-CG2 3.61Å; T265-V275 WeakPolarHBondContact O-CB 3.48Å; T265-V275 PolarHBondContact O-N 2.98Å; D267-V275 HydrophobicContact CB-CG2 3.92Å; N273-V275 PolarHBondContact O-N 3.33Å; V275-K436 WeakPolarHBondContact O-CE 3.32Å; V275-K436 PolarHBondContact O-NZ 2.96Å
276	K	94.4	Very high	94.2	Very high	65 Å²	65	40.1 Å²	40.1	28%	0.283	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	142.3	177.2	-157	76.2	-178.7	-156.6	0	111.7	T265 P274 D312	T265-K276 PolarHBondContact N-O 3.5Å; T265-K276 PolarHBondContact O-N 3.13Å; P274-K276 VanDerWaalsContact C-N 3.29Å; P274-K276 PolarHBondContact O-N 2.94Å; K276-D312 WeakPolarHBondContact CE-O 3.27Å; K276-D312 PolarHBondContact NZ-O 3.16Å
277	V	95.3	Very high	94.3	Very high	15 Å²	15	40.4 Å²	40.4	9%	0.091	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	124.4	166.7	-172.5	0	0	0	0	107.9	N262 Y264 P274 I279 A314 K436	N262-V277 HydrophobicContact CB-CG1 4.15Å; Y264-V277 HydrophobicContact CD1-CB 4.37Å; Y264-V277 HydrophobicContact CD1-CG1 3.99Å; Y264-V277 HydrophobicContact CD1-CG2 3.88Å; Y264-V277 HydrophobicContact CE1-CB 4.38Å; Y264-V277 HydrophobicContact CE1-CG1 3.63Å; Y264-V277 HydrophobicContact CE1-CG2 3.95Å; P274-V277 HydrophobicContact CG-CG2 4.05Å; V277-I279 HydrophobicContact CG1-CD1 4.19Å; V277-I279 HydrophobicContact CG1-CG1 3.83Å; V277-A314 WeakPolarHBondContact O-CB 3.34Å; V277-K436 HydrophobicContact CG2-CG 4.17Å
278	H	96.2	Very high	94.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	120	179.4	-57.8	-78.6	0	0	0	109.3	N262 L263 T265 F297 F309 K311 S313 A314	N262-H278 WeakPolarHBondContact CA-O 3.42Å; N262-H278 WeakPolarHBondContact CB-O 3.31Å; L263-H278 HydrophobicContact CB-CB 4.04Å; L263-H278 HydrophobicContact CD1-CB 4.37Å; L263-H278 PolarHBondContact N-O 3.4Å; L263-H278 PolarHBondContact O-N 3.33Å; T265-H278 PolarHBondContact OG1-CD2 2.93Å; T265-H278 PolarHBondContact OG1-NE2 3.36Å; H278-F297 HydrophobicContact CB-CZ 4.3Å; H278-F297 AromaticContact CD2-CE1 4Å; H278-F297 AromaticContact CD2-CZ 3.47Å; H278-F297 VanDerWaalsContact CD2-CZ 3.47Å; H278-F297 WeakPolarHBondContact CD2-CZ 3.32Å; H278-F297 AromaticContact CE1-CE1 3.59Å; H278-F297 AromaticContact CE1-CZ 3.62Å; H278-F297 AromaticContact CG-CZ 3.58Å; H278-F297 AromaticContact ND1-CZ 3.7Å; H278-F297 AromaticContact NE2-CE1 3.51Å; H278-F297 AromaticContact NE2-CZ 3.49Å; H278-F297 WeakPolarHBondContact NE2-CZ 3.46Å; H278-F309 HydrophobicContact CB-CD1 3.96Å; H278-F309 HydrophobicContact CB-CE1 3.98Å; H278-K311 PolarHBondContact CE1-O 3.11Å; H278-K311 VanDerWaalsContact CE1-O 3.28Å; H278-S313 PolarHBondContact CE1-O 2.7Å; H278-S313 VanDerWaalsContact CE1-O 3.22Å; H278-S313 PolarHBondContact ND1-O 3.48Å; H278-A314 CarbonylContact C-O 3.57Å; H278-A314 WeakPolarHBondContact CA-O 3.4Å
279	I	93.3	Very high	94.7	Very high	49 Å²	49	39 Å²	39	25%	0.251	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	113.9	-168.6	-51.2	172.3	0	0	0	107.6	V277 A314 N315	V277-I279 HydrophobicContact CG1-CD1 4.19Å; V277-I279 HydrophobicContact CG1-CG1 3.83Å; I279-A314 PolarHBondContact N-O 2.87Å; I279-N315 PolarHBondContact O-OD1 3.09Å
280	D	93.8	Very high	95	Very high	25 Å²	25	32.1 Å²	32.1	13%	0.134	17%	0.166	C	C	.	.			trans	-169.9	-19.9	166.9	-143.2	-6.4	0	0	0	113.3	R307 F309 S316 K404	D280-R307 PolarHBondContact O-NE 3.35Å; D280-R307 PolarHBondContact O-NH2 3.3Å; D280-F309 HydrophobicContact CB-CE1 4.11Å; D280-F309 HydrophobicContact CB-CZ 3.86Å; D280-S316 VanDerWaalsContact OD2-CB 3.3Å; D280-S316 WeakPolarHBondContact OD2-CB 3.28Å; D280-S316 PolarHBondContact OD2-N 3.26Å; D280-S316 PolarHBondContact OD2-OG 3.03Å; D280-K404 IonicContact OD1-NZ 2.66Å; D280-K404 PolarHBondContact OD1-NZ 2.98Å
281	H	96.4	Very high	95.2	Very high	8 Å²	8	26 Å²	26	4%	0.037	14%	0.137	C	C	.	.			trans	-69.3	154.9	175	-62.9	-81.6	0	0	0	112.4	Y261 V285 S299 S301 D303 R307 F309	Y261-H281 WeakPolarHBondContact O-CB 3.5Å; H281-V285 HydrophobicContact CB-CG2 4.16Å; H281-V285 VanDerWaalsContact CD2-CG2 3.48Å; H281-V285 WeakPolarHBondContact CD2-CG2 3.45Å; H281-S299 PolarHBondContact NE2-OG 3.33Å; H281-S301 WeakPolarHBondContact ND1-CB 3.37Å; H281-D303 IonicContact ND1-OD1 3.17Å; H281-D303 IonicContact ND1-OD2 2.86Å; H281-R307 PolarHBondContact ND1-NH1 3.01Å; H281-F309 AromaticContact NE2-CE2 3.9Å
282	V	96.1	Very high	95.4	Very high	10 Å²	10	27.3 Å²	27.3	6%	0.061	15%	0.146	C	C	.	.	S	Bend	trans	-104.8	-24.5	-178.5	175.5	0	0	0	0	111.5	Y261 D303 I400 Q403 K404 L407	Y261-V282 WeakPolarHBondContact CD2-O 3.39Å; Y261-V282 WeakPolarHBondContact CE2-O 3.37Å; V282-D303 HydrophobicContact CB-CB 4.21Å; V282-D303 PolarHBondContact N-OD2 2.92Å; V282-I400 HydrophobicContact CG2-CG2 3.99Å; V282-Q403 HydrophobicContact CG1-CB 3.32Å; V282-Q403 HydrophobicContact CG1-CG 4.2Å; V282-K404 HydrophobicContact CG2-CB 4.04Å; V282-L407 HydrophobicContact CB-CD1 4.24Å; V282-L407 HydrophobicContact CG1-CD1 3.92Å; V282-L407 HydrophobicContact CG2-CD1 4.4Å
283	S	96.5	Very high	95.7	Very high	30 Å²	30	23.7 Å²	23.7	21%	0.21	13%	0.133	C	C	.	.	S	Bend	trans	-129.7	179.9	177.2	-164.5	0	0	0	0	110.8	Y261 V285 S301	Y261-S283 WeakPolarHBondContact CA-O 3.3Å; Y261-S283 VanDerWaalsContact CD1-CA 3.4Å; Y261-S283 WeakPolarHBondContact CD1-O 3.44Å; S283-V285 PolarHBondContact O-N 3.46Å; S283-S301 PolarHBondContact O-OG 3.15Å; S283-S301 VanDerWaalsContact O-OG 3.06Å
284	A	96.6	Very high	96	Very high	12 Å²	12	20.6 Å²	20.6	10%	0.099	12%	0.117	C	C	.	.			trans	-53.5	137.6	-176	0	0	0	0	0	111.4	E259 Y261 S301 F302	E259-A284 HydrophobicContact CB-CB 4.45Å; E259-A284 HydrophobicContact CG-CB 4.23Å; Y261-A284 VanDerWaalsContact CD1-N 3.34Å; A284-S301 WeakPolarHBondContact O-CA 3.41Å; A284-S301 WeakPolarHBondContact O-CB 3.49Å; A284-S301 PolarHBondContact O-OG 3.37Å; A284-F302 PolarHBondContact O-N 3.48Å
285	V	97.9	Very high	96.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	119	175.7	-170.2	0	0	0	0	107.7	N242 A257 N258 L263 H281 S283 A300	N242-V285 PolarHBondContact ND2-O 3.41Å; A257-V285 HydrophobicContact CB-CB 3.95Å; A257-V285 HydrophobicContact CB-CG1 3.63Å; N258-V285 PolarHBondContact O-N 2.91Å; N258-V285 VanDerWaalsContact O-N 3.15Å; L263-V285 HydrophobicContact CD1-CG1 4.11Å; L263-V285 HydrophobicContact CD1-CG2 4.03Å; L263-V285 HydrophobicContact CD2-CG1 3.96Å; L263-V285 HydrophobicContact CG-CB 4.48Å; L263-V285 HydrophobicContact CG-CG1 3.97Å; L263-V285 HydrophobicContact CG-CG2 4.28Å; H281-V285 HydrophobicContact CB-CG2 4.16Å; H281-V285 VanDerWaalsContact CD2-CG2 3.48Å; H281-V285 WeakPolarHBondContact CD2-CG2 3.45Å; S283-V285 PolarHBondContact O-N 3.46Å; V285-A300 CarbonylContact C-O 3.47Å; V285-A300 VanDerWaalsContact CG1-O 3.27Å; V285-A300 WeakPolarHBondContact CG1-O 3.45Å
286	L	96.9	Very high	96.3	Very high	37 Å²	37	28.5 Å²	28.5	19%	0.194	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-43.3	-173	-64.4	-175.5	0	0	0	112.1	T243 A300 F302 V328 I329	T243-L286 VanDerWaalsContact CG2-O 3.24Å; T243-L286 WeakPolarHBondContact CG2-O 3.38Å; T243-L286 PolarHBondContact OG1-O 2.96Å; L286-A300 PolarHBondContact N-O 3.2Å; L286-F302 HydrophobicContact CD1-CB 4.35Å; L286-F302 HydrophobicContact CD1-CD2 4.15Å; L286-F302 HydrophobicContact CG-CB 4.43Å; L286-V328 WeakPolarHBondContact CD1-O 3.49Å; L286-I329 WeakPolarHBondContact CB-O 3.48Å; L286-I329 HydrophobicContact CD1-CG1 4.45Å
287	D	97.6	Very high	96.5	Very high	7 Å²	7	25.4 Å²	25.4	4%	0.037	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	155.3	-177.1	-162.4	19.1	0	0	0	112.8	T243 S299 A300 I329 C330 V331	T243-D287 WeakPolarHBondContact OG1-CA 2.98Å; T243-D287 PolarHBondContact OG1-OD1 3.37Å; D287-S299 WeakPolarHBondContact O-CA 3.38Å; D287-A300 HydrophobicContact CB-CB 4.4Å; D287-A300 PolarHBondContact N-O 3.45Å; D287-A300 PolarHBondContact O-N 3.41Å; D287-I329 WeakPolarHBondContact CB-O 3.45Å; D287-C330 WeakPolarHBondContact OD2-CA 3.38Å; D287-V331 HydrophobicContact CB-CG1 4.18Å; D287-V331 PolarHBondContact OD2-N 3.47Å
288	V	97.9	Very high	96.6	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.006	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	137.7	178.4	61.4	0	0	0	0	109.8	T243 S245 T255 A257 L263 F297 V298	T243-V288 PolarHBondContact OG1-N 2.95Å; S245-V288 WeakPolarHBondContact CB-O 3.45Å; T255-V288 HydrophobicContact CG2-CG2 4.12Å; A257-V288 HydrophobicContact CB-CB 4.3Å; A257-V288 HydrophobicContact CB-CG1 4.07Å; L263-V288 HydrophobicContact CD2-CB 3.9Å; L263-V288 HydrophobicContact CD2-CG2 3.7Å; V288-F297 HydrophobicContact CG2-CB 4.47Å; V288-F297 HydrophobicContact CG2-CD2 3.73Å; V288-F297 HydrophobicContact CG2-CE2 4.39Å; V288-F297 HydrophobicContact CG2-CG 4.37Å; V288-V298 WeakPolarHBondContact CA-O 3.01Å; V288-V298 WeakPolarHBondContact CG2-O 3.46Å
289	D	98.1	Very high	96.7	Very high	20 Å²	20	24.7 Å²	24.7	11%	0.107	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	135.8	174.9	-161.6	42	0	0	0	111.2	F297 V298 K332 W333	D289-F297 CarbonylContact O-C 3.48Å; D289-F297 WeakPolarHBondContact O-CA 3.43Å; D289-F297 WeakPolarHBondContact O-CB 3.26Å; D289-V298 HydrophobicContact CB-CG1 4.15Å; D289-V298 PolarHBondContact N-O 3.04Å; D289-V298 PolarHBondContact O-N 2.79Å; D289-K332 HydrophobicContact CB-CD 4.22Å; D289-K332 IonicContact OD1-NZ 2.8Å; D289-K332 WeakPolarHBondContact OD2-CA 3.36Å; D289-K332 WeakPolarHBondContact OD2-CD 3.45Å; D289-W333 PolarHBondContact OD2-N 3.45Å
290	Y	97.8	Very high	96.9	Very high	7 Å²	7	22.3 Å²	22.3	3%	0.027	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	145.3	178.4	-93.6	-91.3	0	0	0	112.1	S245 W246 N247 P248 T255 F297 W333	S245-Y290 WeakPolarHBondContact O-CE2 3.22Å; S245-Y290 PolarHBondContact OG-N 3.26Å; W246-Y290 VanDerWaalsContact O-CD2 3.3Å; W246-Y290 WeakPolarHBondContact O-CD2 3.33Å; N247-Y290 HydrophobicContact CB-CD1 4.21Å; N247-Y290 HydrophobicContact CB-CE1 3.88Å; N247-Y290 HydrophobicContact CB-CE2 4.43Å; P248-Y290 VanDerWaalsContact CD-CB 3.47Å; T255-Y290 WeakPolarHBondContact OG1-CE2 3.43Å; T255-Y290 PolarHBondContact OG1-OH 2.88Å; Y290-F297 HydrophobicContact CD1-CB 4.02Å; Y290-F297 HydrophobicContact CD2-CB 4.32Å; Y290-F297 HydrophobicContact CE1-CB 4.27Å; Y290-F297 HydrophobicContact CE1-CD1 4.25Å; Y290-F297 HydrophobicContact CG-CB 4.07Å; Y290-W333 WeakPolarHBondContact O-CB 3.41Å
291	S	97.2	Very high	97.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.105	C	C	.	.			trans	-60.8	145.3	161.9	63.7	0	0	0	0	109.9	P248 T293 G294 E296 N337	P248-S291 WeakPolarHBondContact CG-O 3.19Å; S291-T293 PolarHBondContact O-N 2.87Å; S291-T293 PolarHBondContact OG-OG1 2.8Å; S291-T293 VanDerWaalsContact OG-OG1 3.13Å; S291-G294 PolarHBondContact O-N 3Å; S291-G294 PolarHBondContact OG-N 2.88Å; S291-E296 VanDerWaalsContact CB-O 3.22Å; S291-E296 WeakPolarHBondContact CB-O 3.49Å; S291-E296 PolarHBondContact N-O 2.87Å; S291-E296 PolarHBondContact OG-N 2.92Å; S291-E296 PolarHBondContact OG-O 2.88Å; S291-N337 VanDerWaalsContact CB-OD1 3.24Å; S291-N337 WeakPolarHBondContact CB-OD1 3.31Å
292	P	95.3	Very high	97.1	Very high	33 Å²	33	25.2 Å²	25.2	21%	0.214	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-21.9	174.6	-24.7	32.8	0	0	0	113.7	M249 G294 S334 A335 N337	M249-P292 WeakPolarHBondContact CE-O 3.3Å; P292-G294 VanDerWaalsContact C-N 3.35Å; P292-S334 VanDerWaalsContact CG-O 3.24Å; P292-S334 WeakPolarHBondContact CG-O 3.4Å; P292-A335 WeakPolarHBondContact CG-O 3.27Å; P292-N337 HydrophobicContact CG-CB 4.47Å
293	T	96.3	Very high	97.1	Very high	52 Å²	52	25.3 Å²	25.3	32%	0.319	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-11.3	177	68	0	0	0	0	114.3	M249 S291 R295 N337	M249-T293 WeakPolarHBondContact CG-O 3.41Å; S291-T293 PolarHBondContact O-N 2.87Å; S291-T293 PolarHBondContact OG-OG1 2.8Å; S291-T293 VanDerWaalsContact OG-OG1 3.13Å; T293-R295 PolarHBondContact O-N 2.79Å; T293-R295 VanDerWaalsContact O-N 3.15Å; T293-N337 HydrophobicContact CG2-CB 4.22Å; T293-N337 VanDerWaalsContact CG2-ND2 3.32Å; T293-N337 WeakPolarHBondContact CG2-ND2 3.37Å
294	G	95.6	Very high	97.1	Very high	2 Å²	2	27.5 Å²	27.5	2%	0.021	13%	0.129	C	C	.	.	S	Bend	trans	70.1	2.1	-178	0	0	0	0	0	115.7	N247 S291 P292	N247-G294 PolarHBondContact ND2-O 2.89Å; N247-G294 WeakPolarHBondContact OD1-CA 3.4Å; S291-G294 PolarHBondContact O-N 3Å; S291-G294 PolarHBondContact OG-N 2.88Å; P292-G294 VanDerWaalsContact C-N 3.35Å
295	R	96	Very high	97.1	Very high	188 Å²	188	26.9 Å²	26.9	71%	0.709	12%	0.124	S	C	*	.	S	Bend	trans	-88.4	-30.3	-176.5	-65.5	-177.5	-179.2	179.3	0.1	113.4	T293 K311	T293-R295 PolarHBondContact O-N 2.79Å; T293-R295 VanDerWaalsContact O-N 3.15Å; R295-K311 WeakPolarHBondContact O-CB 3.35Å; R295-K311 PolarHBondContact O-N 2.93Å
296	E	97.4	Very high	97.1	Very high	37 Å²	37	26.9 Å²	26.9	17%	0.173	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	159.8	-179	-55.7	-172.1	143.2	0	0	109.7	S291 I308 F309 R317 W333	S291-E296 VanDerWaalsContact CB-O 3.22Å; S291-E296 WeakPolarHBondContact CB-O 3.49Å; S291-E296 PolarHBondContact N-O 2.87Å; S291-E296 PolarHBondContact OG-N 2.92Å; S291-E296 PolarHBondContact OG-O 2.88Å; E296-I308 HydrophobicContact CB-CG2 4.47Å; E296-F309 CarbonylContact C-O 3.45Å; E296-F309 VanDerWaalsContact CA-O 3.24Å; E296-F309 WeakPolarHBondContact CA-O 3.43Å; E296-R317 IonicContact OE1-CZ 2.92Å; E296-R317 IonicContact OE1-NE 3.84Å; E296-R317 IonicContact OE1-NH1 3.06Å; E296-R317 PolarHBondContact OE1-NH1 3.24Å; E296-R317 IonicContact OE2-CZ 2.74Å; E296-R317 IonicContact OE2-NH1 3.66Å; E296-R317 PolarHBondContact OE2-NH1 2.97Å; E296-R317 IonicContact OE2-NH2 2.69Å; E296-W333 HydrophobicContact CB-CH2 3.89Å; E296-W333 HydrophobicContact CB-CZ3 4.27Å
297	F	98.1	Very high	97.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	157.7	169.7	62.5	-91.8	0	0	0	109.4	T255 L263 H278 V288 D289 Y290 F309	T255-F297 HydrophobicContact CG2-CE2 4.2Å; T255-F297 HydrophobicContact CG2-CZ 4.22Å; L263-F297 HydrophobicContact CD2-CD2 4.44Å; L263-F297 HydrophobicContact CD2-CE2 3.89Å; H278-F297 HydrophobicContact CB-CZ 4.3Å; H278-F297 AromaticContact CD2-CE1 4Å; H278-F297 AromaticContact CD2-CZ 3.47Å; H278-F297 VanDerWaalsContact CD2-CZ 3.47Å; H278-F297 WeakPolarHBondContact CD2-CZ 3.32Å; H278-F297 AromaticContact CE1-CE1 3.59Å; H278-F297 AromaticContact CE1-CZ 3.62Å; H278-F297 AromaticContact CG-CZ 3.58Å; H278-F297 AromaticContact ND1-CZ 3.7Å; H278-F297 AromaticContact NE2-CE1 3.51Å; H278-F297 AromaticContact NE2-CZ 3.49Å; H278-F297 WeakPolarHBondContact NE2-CZ 3.46Å; V288-F297 HydrophobicContact CG2-CB 4.47Å; V288-F297 HydrophobicContact CG2-CD2 3.73Å; V288-F297 HydrophobicContact CG2-CE2 4.39Å; V288-F297 HydrophobicContact CG2-CG 4.37Å; D289-F297 CarbonylContact O-C 3.48Å; D289-F297 WeakPolarHBondContact O-CA 3.43Å; D289-F297 WeakPolarHBondContact O-CB 3.26Å; Y290-F297 HydrophobicContact CD1-CB 4.02Å; Y290-F297 HydrophobicContact CD2-CB 4.32Å; Y290-F297 HydrophobicContact CE1-CB 4.27Å; Y290-F297 HydrophobicContact CE1-CD1 4.25Å; Y290-F297 HydrophobicContact CG-CB 4.07Å; F297-F309 HydrophobicContact CD1-CB 4.27Å; F297-F309 HydrophobicContact CD2-CB 4.1Å; F297-F309 HydrophobicContact CD2-CD2 4.45Å; F297-F309 HydrophobicContact CE1-CB 3.68Å; F297-F309 HydrophobicContact CE2-CB 3.48Å; F297-F309 VanDerWaalsContact CE2-CB 3.48Å; F297-F309 AromaticContact CE2-CD2 3.71Å; F297-F309 HydrophobicContact CE2-CD2 3.71Å; F297-F309 AromaticContact CE2-CG 3.81Å; F297-F309 HydrophobicContact CE2-CG 3.81Å; F297-F309 HydrophobicContact CG-CB 4.46Å; F297-F309 HydrophobicContact CZ-CB 3.24Å; F297-F309 HydrophobicContact CZ-CD2 4.18Å; F297-F309 AromaticContact CZ-CG 3.8Å; F297-F309 HydrophobicContact CZ-CG 3.8Å; F297-F309 PolarHBondContact N-O 3.09Å; F297-F309 PolarHBondContact O-N 3.43Å
298	V	98.3	Very high	97.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	147.7	174.7	67	0	0	0	0	109.3	V288 D289 I306 I308 V331 W333 V340	V288-V298 WeakPolarHBondContact CA-O 3.01Å; V288-V298 WeakPolarHBondContact CG2-O 3.46Å; D289-V298 HydrophobicContact CB-CG1 4.15Å; D289-V298 PolarHBondContact N-O 3.04Å; D289-V298 PolarHBondContact O-N 2.79Å; V298-I306 HydrophobicContact CG2-CG2 3.29Å; V298-I308 HydrophobicContact CB-CG1 4.44Å; V298-I308 HydrophobicContact CG2-CG1 4.07Å; V298-V331 HydrophobicContact CB-CG2 4.28Å; V298-V331 HydrophobicContact CG1-CB 4.36Å; V298-V331 HydrophobicContact CG1-CG1 3.9Å; V298-V331 HydrophobicContact CG1-CG2 3.58Å; V298-V331 HydrophobicContact CG2-CG2 3.71Å; V298-W333 HydrophobicContact CB-CE3 3.69Å; V298-W333 HydrophobicContact CB-CZ3 3.89Å; V298-W333 HydrophobicContact CG1-CE3 3.81Å; V298-V340 HydrophobicContact CB-CG1 4.42Å; V298-V340 HydrophobicContact CB-CG2 4.4Å; V298-V340 HydrophobicContact CG1-CG1 4.35Å; V298-V340 HydrophobicContact CG2-CG1 3.75Å; V298-V340 HydrophobicContact CG2-CG2 4.32Å
299	S	98.1	Very high	97.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	141.8	178.5	57	0	0	0	0	110.3	H281 D287 I306 R307 F309	H281-S299 PolarHBondContact NE2-OG 3.33Å; D287-S299 WeakPolarHBondContact O-CA 3.38Å; S299-I306 WeakPolarHBondContact O-CA 3.42Å; S299-R307 PolarHBondContact N-O 2.81Å; S299-R307 PolarHBondContact O-N 2.85Å; S299-R307 PolarHBondContact OG-O 3.38Å; S299-F309 VanDerWaalsContact OG-CE2 3.25Å; S299-F309 WeakPolarHBondContact OG-CE2 3.2Å
300	A	97.6	Very high	97.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	139.2	174.4	0	0	0	0	0	109.8	V285 L286 D287 V328 V331	V285-A300 CarbonylContact C-O 3.47Å; V285-A300 VanDerWaalsContact CG1-O 3.27Å; V285-A300 WeakPolarHBondContact CG1-O 3.45Å; L286-A300 PolarHBondContact N-O 3.2Å; D287-A300 HydrophobicContact CB-CB 4.4Å; D287-A300 PolarHBondContact N-O 3.45Å; D287-A300 PolarHBondContact O-N 3.41Å; A300-V328 HydrophobicContact CB-CB 3.91Å; A300-V328 HydrophobicContact CB-CG1 3.47Å; A300-V328 VanDerWaalsContact CB-CG1 3.47Å; A300-V331 HydrophobicContact CB-CB 3.86Å; A300-V331 HydrophobicContact CB-CG1 3.9Å
301	S	97.4	Very high	96.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	154.5	179.8	174.3	0	0	0	0	111.8	H281 S283 A284 D303 K304 T305 V328	H281-S301 WeakPolarHBondContact ND1-CB 3.37Å; S283-S301 PolarHBondContact O-OG 3.15Å; S283-S301 VanDerWaalsContact O-OG 3.06Å; A284-S301 WeakPolarHBondContact O-CA 3.41Å; A284-S301 WeakPolarHBondContact O-CB 3.49Å; A284-S301 PolarHBondContact O-OG 3.37Å; S301-D303 VanDerWaalsContact CB-OD1 3.31Å; S301-D303 WeakPolarHBondContact CB-OD1 3.34Å; S301-D303 PolarHBondContact O-N 3.39Å; S301-D303 VanDerWaalsContact O-N 3.12Å; S301-D303 PolarHBondContact OG-N 2.95Å; S301-D303 VanDerWaalsContact OG-N 3.11Å; S301-D303 PolarHBondContact OG-OD1 3.42Å; S301-K304 PolarHBondContact O-N 2.49Å; S301-T305 PolarHBondContact N-O 2.86Å; S301-V328 PolarHBondContact O-N 3.49Å
302	F	97	Very high	96.7	Very high	93 Å²	93	32.9 Å²	32.9	41%	0.408	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-14.7	168.3	-162.5	-99.5	0	0	0	112.6	A284 L286 K304 H327	A284-F302 PolarHBondContact O-N 3.48Å; L286-F302 HydrophobicContact CD1-CB 4.35Å; L286-F302 HydrophobicContact CD1-CD2 4.15Å; L286-F302 HydrophobicContact CG-CB 4.43Å; F302-K304 PolarHBondContact O-N 2.76Å; F302-K304 VanDerWaalsContact O-N 3.13Å; F302-H327 AromaticContact CD1-CE1 3.72Å; F302-H327 AromaticContact CD1-ND1 3.59Å; F302-H327 HydrophobicContact CD2-CB 3.91Å; F302-H327 AromaticContact CD2-CG 3.71Å; F302-H327 AromaticContact CD2-ND1 3.53Å; F302-H327 AromaticContact CE1-CE1 3.27Å; F302-H327 WeakPolarHBondContact CE1-CE1 3.47Å; F302-H327 AromaticContact CE1-ND1 3.56Å; F302-H327 AromaticContact CE1-NE2 3.97Å; F302-H327 HydrophobicContact CE2-CB 4.03Å; F302-H327 AromaticContact CE2-CD2 3.81Å; F302-H327 AromaticContact CE2-CE1 3.79Å; F302-H327 AromaticContact CE2-CG 3.5Å; F302-H327 VanDerWaalsContact CE2-CG 3.5Å; F302-H327 AromaticContact CE2-ND1 3.5Å; F302-H327 AromaticContact CG-ND1 3.59Å; F302-H327 AromaticContact CZ-CD2 3.87Å; F302-H327 AromaticContact CZ-CE1 3.31Å; F302-H327 WeakPolarHBondContact CZ-CE1 3.36Å; F302-H327 AromaticContact CZ-CG 3.85Å; F302-H327 AromaticContact CZ-ND1 3.52Å; F302-H327 AromaticContact CZ-NE2 3.58Å; F302-H327 PolarHBondContact O-CE1 3.42Å; F302-H327 PolarHBondContact O-ND1 3.25Å
303	D	95.2	Very high	96.7	Very high	12 Å²	12	33.3 Å²	33.3	6%	0.064	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	10.6	174.8	75.8	1.1	0	0	0	114.6	H281 V282 S301 T305 R307 I400	H281-D303 IonicContact ND1-OD1 3.17Å; H281-D303 IonicContact ND1-OD2 2.86Å; V282-D303 HydrophobicContact CB-CB 4.21Å; V282-D303 PolarHBondContact N-OD2 2.92Å; S301-D303 VanDerWaalsContact CB-OD1 3.31Å; S301-D303 WeakPolarHBondContact CB-OD1 3.34Å; S301-D303 PolarHBondContact O-N 3.39Å; S301-D303 VanDerWaalsContact O-N 3.12Å; S301-D303 PolarHBondContact OG-N 2.95Å; S301-D303 VanDerWaalsContact OG-N 3.11Å; S301-D303 PolarHBondContact OG-OD1 3.42Å; D303-T305 VanDerWaalsContact C-N 3.29Å; D303-T305 PolarHBondContact O-N 3.12Å; D303-T305 WeakPolarHBondContact OD1-CB 3.48Å; D303-T305 PolarHBondContact OD1-N 2.88Å; D303-T305 PolarHBondContact OD1-OG1 2.93Å; D303-R307 IonicContact OD1-NH1 3Å; D303-R307 PolarHBondContact OD1-NH1 2.83Å; D303-R307 IonicContact OD2-CZ 3.04Å; D303-R307 IonicContact OD2-NH1 3.01Å; D303-R307 PolarHBondContact OD2-NH1 3.16Å; D303-R307 IonicContact OD2-NH2 3.93Å; D303-R307 PolarHBondContact OD2-NH2 2.97Å; D303-I400 WeakPolarHBondContact O-CD1 3.28Å
304	K	95.9	Very high	96.5	Very high	76 Å²	76	32.3 Å²	32.3	33%	0.33	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	26.6	178.3	-43.9	179.7	-178.5	-170.1	0	113.2	S301 F302 M325 Q326	S301-K304 PolarHBondContact O-N 2.49Å; F302-K304 PolarHBondContact O-N 2.76Å; F302-K304 VanDerWaalsContact O-N 3.13Å; K304-M325 WeakPolarHBondContact O-CE 3.32Å; K304-Q326 WeakPolarHBondContact CA-O 3.42Å; K304-Q326 WeakPolarHBondContact CB-O 3.4Å
305	T	97.1	Very high	96.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	156.3	177.8	75.7	0	0	0	0	112.6	S301 D303 R307 V319 Y320 H321 I400	S301-T305 PolarHBondContact N-O 2.86Å; D303-T305 VanDerWaalsContact C-N 3.29Å; D303-T305 PolarHBondContact O-N 3.12Å; D303-T305 WeakPolarHBondContact OD1-CB 3.48Å; D303-T305 PolarHBondContact OD1-N 2.88Å; D303-T305 PolarHBondContact OD1-OG1 2.93Å; T305-R307 PolarHBondContact OG1-NH1 3.45Å; T305-V319 HydrophobicContact CG2-CG2 4.32Å; T305-Y320 WeakPolarHBondContact CA-O 3.44Å; T305-H321 HydrophobicContact CG2-CB 4.34Å; T305-I400 HydrophobicContact CG2-CD1 3.4Å; T305-I400 VanDerWaalsContact CG2-CD1 3.4Å
306	I	97.8	Very high	96.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	132.5	168.6	-57.4	151.1	0	0	0	106.4	V298 S299 V319 Y320 M325 V328 V331 V340 S342 W352	V298-I306 HydrophobicContact CG2-CG2 3.29Å; S299-I306 WeakPolarHBondContact O-CA 3.42Å; I306-V319 CarbonylContact O-C 3.56Å; I306-V319 WeakPolarHBondContact O-CA 3.45Å; I306-Y320 PolarHBondContact N-O 3.39Å; I306-Y320 PolarHBondContact O-N 2.77Å; I306-M325 HydrophobicContact CD1-CE 4.04Å; I306-M325 HydrophobicContact CD1-SD 4.07Å; I306-M325 HydrophobicContact CG1-CE 4.24Å; I306-V328 HydrophobicContact CG1-CG1 4.05Å; I306-V328 HydrophobicContact CG1-CG2 4.23Å; I306-V331 HydrophobicContact CG2-CG2 4.26Å; I306-V340 HydrophobicContact CG2-CG1 4.15Å; I306-S342 WeakPolarHBondContact CD1-OG 3.4Å; I306-W352 HydrophobicContact CD1-CZ2 4.06Å; I306-W352 VanDerWaalsContact CD1-NE1 3.33Å
307	R	97.8	Very high	96.3	Very high	2 Å²	2	30 Å²	30	1%	0.008	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	134.9	178	-69.8	-173.9	172.8	84.7	-8.3	110.5	D280 H281 S299 D303 T305 F309 E318 V319	D280-R307 PolarHBondContact O-NE 3.35Å; D280-R307 PolarHBondContact O-NH2 3.3Å; H281-R307 PolarHBondContact ND1-NH1 3.01Å; S299-R307 PolarHBondContact N-O 2.81Å; S299-R307 PolarHBondContact O-N 2.85Å; S299-R307 PolarHBondContact OG-O 3.38Å; D303-R307 IonicContact OD1-NH1 3Å; D303-R307 PolarHBondContact OD1-NH1 2.83Å; D303-R307 IonicContact OD2-CZ 3.04Å; D303-R307 IonicContact OD2-NH1 3.01Å; D303-R307 PolarHBondContact OD2-NH1 3.16Å; D303-R307 IonicContact OD2-NH2 3.93Å; D303-R307 PolarHBondContact OD2-NH2 2.97Å; T305-R307 PolarHBondContact OG1-NH1 3.45Å; R307-F309 HydrophobicContact CB-CD2 4.16Å; R307-F309 HydrophobicContact CB-CE2 3.48Å; R307-F309 VanDerWaalsContact CB-CE2 3.48Å; R307-F309 HydrophobicContact CB-CZ 4.11Å; R307-E318 WeakPolarHBondContact CA-O 3.29Å; R307-V319 HydrophobicContact CG-CB 4.24Å; R307-V319 HydrophobicContact CG-CG2 3.97Å
308	I	98.1	Very high	96.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	127.1	175.7	-60.6	171.4	0	0	0	108.4	E296 V298 S316 R317 E318 Y320 W333 V340 A354	E296-I308 HydrophobicContact CB-CG2 4.47Å; V298-I308 HydrophobicContact CB-CG1 4.44Å; V298-I308 HydrophobicContact CG2-CG1 4.07Å; I308-S316 CarbonylContact O-C 3.6Å; I308-S316 WeakPolarHBondContact O-CA 3.32Å; I308-R317 PolarHBondContact O-N 2.87Å; I308-E318 HydrophobicContact CB-CB 4.5Å; I308-E318 HydrophobicContact CD1-CB 4.49Å; I308-E318 PolarHBondContact N-O 3.47Å; I308-Y320 HydrophobicContact CD1-CE2 3.81Å; I308-W333 HydrophobicContact CD1-CH2 4.5Å; I308-W333 HydrophobicContact CG1-CZ3 4.37Å; I308-W333 HydrophobicContact CG2-CH2 3.73Å; I308-W333 HydrophobicContact CG2-CZ3 3.85Å; I308-V340 HydrophobicContact CD1-CG2 4.26Å; I308-A354 WeakPolarHBondContact CD1-O 3.48Å
309	F	97.8	Very high	96.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	132	-178.3	-71.3	-92	0	0	0	110.4	L263 H278 D280 H281 E296 F297 S299 R307 S316	L263-F309 HydrophobicContact CD1-CE2 4.06Å; L263-F309 HydrophobicContact CD1-CZ 4.42Å; H278-F309 HydrophobicContact CB-CD1 3.96Å; H278-F309 HydrophobicContact CB-CE1 3.98Å; D280-F309 HydrophobicContact CB-CE1 4.11Å; D280-F309 HydrophobicContact CB-CZ 3.86Å; H281-F309 AromaticContact NE2-CE2 3.9Å; E296-F309 CarbonylContact C-O 3.45Å; E296-F309 VanDerWaalsContact CA-O 3.24Å; E296-F309 WeakPolarHBondContact CA-O 3.43Å; F297-F309 HydrophobicContact CD1-CB 4.27Å; F297-F309 HydrophobicContact CD2-CB 4.1Å; F297-F309 HydrophobicContact CD2-CD2 4.45Å; F297-F309 HydrophobicContact CE1-CB 3.68Å; F297-F309 HydrophobicContact CE2-CB 3.48Å; F297-F309 VanDerWaalsContact CE2-CB 3.48Å; F297-F309 AromaticContact CE2-CD2 3.71Å; F297-F309 HydrophobicContact CE2-CD2 3.71Å; F297-F309 AromaticContact CE2-CG 3.81Å; F297-F309 HydrophobicContact CE2-CG 3.81Å; F297-F309 HydrophobicContact CG-CB 4.46Å; F297-F309 HydrophobicContact CZ-CB 3.24Å; F297-F309 HydrophobicContact CZ-CD2 4.18Å; F297-F309 AromaticContact CZ-CG 3.8Å; F297-F309 HydrophobicContact CZ-CG 3.8Å; F297-F309 PolarHBondContact N-O 3.09Å; F297-F309 PolarHBondContact O-N 3.43Å; S299-F309 VanDerWaalsContact OG-CE2 3.25Å; S299-F309 WeakPolarHBondContact OG-CE2 3.2Å; R307-F309 HydrophobicContact CB-CD2 4.16Å; R307-F309 HydrophobicContact CB-CE2 3.48Å; R307-F309 VanDerWaalsContact CB-CE2 3.48Å; R307-F309 HydrophobicContact CB-CZ 4.11Å; F309-S316 VanDerWaalsContact CE1-N 3.26Å
310	P	96.7	Very high	96.1	Very high	36 Å²	36	31.9 Å²	31.9	23%	0.234	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	139.6	159.5	-14	28.9	0	0	0	109.7	D312 S313 R317	P310-D312 PolarHBondContact O-N 3.08Å; P310-D312 VanDerWaalsContact O-N 3.1Å; P310-S313 PolarHBondContact O-N 3.34Å; P310-S313 VanDerWaalsContact O-N 3.1Å; P310-R317 HydrophobicContact CG-CB 4.13Å
311	K	94.2	Very high	96	Very high	42 Å²	42	34.1 Å²	34.1	18%	0.183	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-34.6	-177.1	78	176.3	-163.8	170.8	0	113.5	E250 H278 R295	E250-K311 IonicContact OE1-NZ 2.65Å; E250-K311 PolarHBondContact OE1-NZ 2.76Å; E250-K311 IonicContact OE2-NZ 2.63Å; E250-K311 PolarHBondContact OE2-NZ 2.88Å; H278-K311 PolarHBondContact CE1-O 3.11Å; H278-K311 VanDerWaalsContact CE1-O 3.28Å; R295-K311 WeakPolarHBondContact O-CB 3.35Å; R295-K311 PolarHBondContact O-N 2.93Å
312	D	93.8	Very high	95.9	Very high	118 Å²	118	36 Å²	36	63%	0.631	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-8.9	-174.5	-57.5	-52.9	0	0	0	113.5	K276 P310	K276-D312 WeakPolarHBondContact CE-O 3.27Å; K276-D312 PolarHBondContact NZ-O 3.16Å; P310-D312 PolarHBondContact O-N 3.08Å; P310-D312 VanDerWaalsContact O-N 3.1Å
313	S	93.6	Very high	95.6	Very high	42 Å²	42	41.6 Å²	41.6	29%	0.294	21%	0.213	S	C	.	.			trans	-101.8	137.1	-175.4	174.5	0	0	0	0	111	H278 P310 N315	H278-S313 PolarHBondContact CE1-O 2.7Å; H278-S313 VanDerWaalsContact CE1-O 3.22Å; H278-S313 PolarHBondContact ND1-O 3.48Å; P310-S313 PolarHBondContact O-N 3.34Å; P310-S313 VanDerWaalsContact O-N 3.1Å; S313-N315 PolarHBondContact OG-N 2.94Å; S313-N315 PolarHBondContact OG-O 2.84Å
314	A	93.5	Very high	95.3	Very high	31 Å²	31	50.5 Å²	50.5	26%	0.256	25%	0.246	S	C	.	.	S	Bend	trans	-75.8	-25.2	174.5	0	0	0	0	0	113.2	V277 H278 I279	V277-A314 WeakPolarHBondContact O-CB 3.34Å; H278-A314 CarbonylContact C-O 3.57Å; H278-A314 WeakPolarHBondContact CA-O 3.4Å; I279-A314 PolarHBondContact N-O 2.87Å
315	N	93.5	Very high	95.2	Very high	89 Å²	89	47 Å²	47	48%	0.476	23%	0.231	S	C	.	.	S	Bend	trans	-103.8	154.3	-177.3	-64.1	-41.8	0	0	0	110.7	I279 S313	I279-N315 PolarHBondContact O-OD1 3.09Å; S313-N315 PolarHBondContact OG-N 2.94Å; S313-N315 PolarHBondContact OG-O 2.84Å
316	S	95.9	Very high	95.1	Very high	27 Å²	27	50.2 Å²	50.2	19%	0.189	25%	0.246	C	C	.	.			trans	-66.2	147.1	176.1	73.8	0	0	0	0	111.4	D280 I308 F309	D280-S316 VanDerWaalsContact OD2-CB 3.3Å; D280-S316 WeakPolarHBondContact OD2-CB 3.28Å; D280-S316 PolarHBondContact OD2-N 3.26Å; D280-S316 PolarHBondContact OD2-OG 3.03Å; I308-S316 CarbonylContact O-C 3.6Å; I308-S316 WeakPolarHBondContact O-CA 3.32Å; F309-S316 VanDerWaalsContact CE1-N 3.26Å
317	R	94.4	Very high	95	Very high	63 Å²	63	52.2 Å²	52.2	24%	0.238	26%	0.255	C	S	.	.	S	Bend	trans	-81.2	-44.8	171	-178.2	-164	73.1	-179.2	0.9	110.8	E296 I308 P310 A354 N355 R394	E296-R317 IonicContact OE1-CZ 2.92Å; E296-R317 IonicContact OE1-NE 3.84Å; E296-R317 IonicContact OE1-NH1 3.06Å; E296-R317 PolarHBondContact OE1-NH1 3.24Å; E296-R317 IonicContact OE2-CZ 2.74Å; E296-R317 IonicContact OE2-NH1 3.66Å; E296-R317 PolarHBondContact OE2-NH1 2.97Å; E296-R317 IonicContact OE2-NH2 2.69Å; I308-R317 PolarHBondContact O-N 2.87Å; P310-R317 HydrophobicContact CG-CB 4.13Å; R317-A354 PolarHBondContact NH2-O 3.44Å; R317-N355 PolarHBondContact NH1-OD1 3.31Å; R317-N355 VanDerWaalsContact NH1-OD1 3.11Å; R317-N355 PolarHBondContact NH2-OD1 2.67Å; R317-R394 PolarHBondContact O-NH2 3.08Å
318	E	96.1	Very high	94.9	Very high	15 Å²	15	52.1 Å²	52.1	7%	0.07	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	149.9	-177.3	-73	-63.7	161	0	0	110.1	R52 R307 I308 Y320 R394	R52-E318 IonicContact CZ-OE1 3.52Å; R52-E318 IonicContact NH1-OE1 3.39Å; R52-E318 PolarHBondContact NH1-OE1 3.06Å; R52-E318 IonicContact NH2-OE1 3.54Å; R307-E318 WeakPolarHBondContact CA-O 3.29Å; I308-E318 HydrophobicContact CB-CB 4.5Å; I308-E318 HydrophobicContact CD1-CB 4.49Å; I308-E318 PolarHBondContact N-O 3.47Å; E318-Y320 HydrophobicContact CB-CE1 4.02Å; E318-R394 IonicContact OE1-CZ 2.82Å; E318-R394 IonicContact OE1-NE 2.78Å; E318-R394 PolarHBondContact OE1-NE 3.08Å; E318-R394 IonicContact OE1-NH2 3.49Å; E318-R394 PolarHBondContact OE1-NH2 3.28Å; E318-R394 IonicContact OE2-CZ 2.58Å; E318-R394 IonicContact OE2-NE 3.37Å; E318-R394 PolarHBondContact OE2-NE 2.84Å; E318-R394 IonicContact OE2-NH2 3.64Å
319	V	96.9	Very high	94.8	Very high	17 Å²	17	53.7 Å²	53.7	10%	0.103	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	126.3	176.1	58.7	0	0	0	0	108.7	T305 I306 R307 R394 L396	T305-V319 HydrophobicContact CG2-CG2 4.32Å; I306-V319 CarbonylContact O-C 3.56Å; I306-V319 WeakPolarHBondContact O-CA 3.45Å; R307-V319 HydrophobicContact CG-CB 4.24Å; R307-V319 HydrophobicContact CG-CG2 3.97Å; V319-R394 HydrophobicContact CG1-CB 3.85Å; V319-R394 HydrophobicContact CG1-CG 4.06Å; V319-L396 HydrophobicContact CB-CD2 4.47Å; V319-L396 HydrophobicContact CG1-CD2 3.79Å; V319-L396 HydrophobicContact CG2-CD2 3.95Å
320	Y	97.6	Very high	94.7	Very high	6 Å²	6	54 Å²	54	2%	0.024	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	133.8	178	-58.3	-26.7	0	0	0	110.2	P57 T305 I306 I308 E318 W352 K353 A354 A356	P57-Y320 HydrophobicContact CB-CD1 3.7Å; P57-Y320 HydrophobicContact CB-CD2 4.33Å; P57-Y320 HydrophobicContact CB-CE1 3.26Å; P57-Y320 HydrophobicContact CB-CE2 3.91Å; P57-Y320 HydrophobicContact CB-CG 4.24Å; P57-Y320 HydrophobicContact CG-CD1 3.64Å; P57-Y320 HydrophobicContact CG-CE1 3.56Å; P57-Y320 HydrophobicContact CG-CG 4.37Å; T305-Y320 WeakPolarHBondContact CA-O 3.44Å; I306-Y320 PolarHBondContact N-O 3.39Å; I306-Y320 PolarHBondContact O-N 2.77Å; I308-Y320 HydrophobicContact CD1-CE2 3.81Å; E318-Y320 HydrophobicContact CB-CE1 4.02Å; Y320-W352 HydrophobicContact CD2-CB 3.89Å; Y320-W352 HydrophobicContact CD2-CD2 4.05Å; Y320-W352 AromaticContact CD2-CE3 3.98Å; Y320-W352 HydrophobicContact CD2-CE3 3.98Å; Y320-W352 HydrophobicContact CD2-CG 4.04Å; Y320-W352 HydrophobicContact CE2-CB 3.97Å; Y320-W352 HydrophobicContact CG-CD2 4.39Å; Y320-W352 AromaticContact CG-CE3 3.97Å; Y320-W352 HydrophobicContact CG-CE3 3.97Å; Y320-W352 HydrophobicContact CG-CZ3 4.32Å; Y320-K353 WeakPolarHBondContact CE2-O 3.34Å; Y320-K353 VanDerWaalsContact CZ-O 3.31Å; Y320-K353 PolarHBondContact OH-O 3.27Å; Y320-A354 PolarHBondContact OH-O 3.31Å; Y320-A356 HydrophobicContact CE1-CB 4.28Å; Y320-A356 PolarHBondContact OH-N 3.21Å
321	H	96	Very high	94.8	Very high	47 Å²	47	52.2 Å²	52.2	22%	0.218	25%	0.253	C	S	.	.			trans	-148.5	154.4	175.5	66.5	90.4	0	0	0	108.9	T305 H395 P397	T305-H321 HydrophobicContact CG2-CB 4.34Å; H321-H395 PolarHBondContact NE2-O 3.43Å; H321-P397 HydrophobicContact CB-CG 4.28Å; H321-P397 VanDerWaalsContact ND1-CG 3.31Å; H321-P397 WeakPolarHBondContact ND1-CG 3.14Å
322	T	94.4	Very high	94.9	Very high	40 Å²	40	50.9 Å²	50.9	25%	0.245	25%	0.247	C	C	.	.			trans	-132.4	161.3	160.1	71	0	0	0	0	109	R324 M325 W352	T322-R324 VanDerWaalsContact C-N 3.27Å; T322-R324 PolarHBondContact O-N 3.17Å; T322-M325 PolarHBondContact O-N 2.85Å; T322-M325 VanDerWaalsContact OG1-CB 3.26Å; T322-M325 WeakPolarHBondContact OG1-CB 3.42Å; T322-M325 PolarHBondContact OG1-N 3.05Å; T322-W352 HydrophobicContact CG2-CH2 3.48Å; T322-W352 VanDerWaalsContact CG2-CH2 3.48Å; T322-W352 HydrophobicContact CG2-CZ2 4.29Å; T322-W352 HydrophobicContact CG2-CZ3 4.25Å
323	K	91.6	Very high	95.1	Very high	211 Å²	211	45.3 Å²	45.3	92%	0.917	22%	0.217	S	C	*	.	S	Bend	trans	-64.3	-33.2	177.1	-172	178.5	179.2	-174.1	0	112.9
324	R	89.4	Confident	95.2	Very high	199 Å²	199	43.9 Å²	43.9	75%	0.751	21%	0.208	S	C	*	.	S	Bend	trans	-73.2	-34.8	177	-71.2	-172.4	-89.2	-171.9	-3.6	110.6	T322 Q326	T322-R324 VanDerWaalsContact C-N 3.27Å; T322-R324 PolarHBondContact O-N 3.17Å; R324-Q326 PolarHBondContact O-N 2.55Å; R324-Q326 PolarHBondContact O-NE2 2.72Å
325	M	93.6	Very high	95.2	Very high	3 Å²	3	44.6 Å²	44.6	2%	0.015	21%	0.213	C	C	.	.			trans	-55.8	118.9	-174.8	-161.5	160.2	78.7	0	0	113.5	K304 I306 T322 V328 E346 W352	K304-M325 WeakPolarHBondContact O-CE 3.32Å; I306-M325 HydrophobicContact CD1-CE 4.04Å; I306-M325 HydrophobicContact CD1-SD 4.07Å; I306-M325 HydrophobicContact CG1-CE 4.24Å; T322-M325 PolarHBondContact O-N 2.85Å; T322-M325 VanDerWaalsContact OG1-CB 3.26Å; T322-M325 WeakPolarHBondContact OG1-CB 3.42Å; T322-M325 PolarHBondContact OG1-N 3.05Å; M325-V328 HydrophobicContact CE-CG2 3.75Å; M325-V328 HydrophobicContact CG-CG2 3.96Å; M325-V328 HydrophobicContact SD-CG2 3.84Å; M325-E346 WeakPolarHBondContact CA-OE1 3.41Å; M325-E346 PolarHBondContact N-OE2 3.05Å; M325-W352 HydrophobicContact CE-CZ2 4.36Å; M325-W352 HydrophobicContact SD-CZ2 3.79Å
326	Q	93.9	Very high	95.1	Very high	66 Å²	66	43.3 Å²	43.3	31%	0.308	21%	0.207	S	C	.	.			trans	-94	-154.8	172.3	-57.8	-50	-46.2	0	0	110.7	K304 R324 V328 S344 E346	K304-Q326 WeakPolarHBondContact CA-O 3.42Å; K304-Q326 WeakPolarHBondContact CB-O 3.4Å; R324-Q326 PolarHBondContact O-N 2.55Å; R324-Q326 PolarHBondContact O-NE2 2.72Å; Q326-V328 PolarHBondContact O-N 3.13Å; Q326-S344 PolarHBondContact N-OG 3.47Å; Q326-E346 HydrophobicContact CB-CB 4.25Å; Q326-E346 HydrophobicContact CG-CB 4Å; Q326-E346 PolarHBondContact N-OE1 2.72Å; Q326-E346 VanDerWaalsContact N-OE1 3.09Å
327	H	95.2	Very high	95.1	Very high	42 Å²	42	44.3 Å²	44.3	19%	0.194	21%	0.21	C	C	.	.			trans	-59.1	126.2	-176.8	-57.1	-63.7	0	0	0	110	F302 I329 S344 D345	F302-H327 AromaticContact CD1-CE1 3.72Å; F302-H327 AromaticContact CD1-ND1 3.59Å; F302-H327 HydrophobicContact CD2-CB 3.91Å; F302-H327 AromaticContact CD2-CG 3.71Å; F302-H327 AromaticContact CD2-ND1 3.53Å; F302-H327 AromaticContact CE1-CE1 3.27Å; F302-H327 WeakPolarHBondContact CE1-CE1 3.47Å; F302-H327 AromaticContact CE1-ND1 3.56Å; F302-H327 AromaticContact CE1-NE2 3.97Å; F302-H327 HydrophobicContact CE2-CB 4.03Å; F302-H327 AromaticContact CE2-CD2 3.81Å; F302-H327 AromaticContact CE2-CE1 3.79Å; F302-H327 AromaticContact CE2-CG 3.5Å; F302-H327 VanDerWaalsContact CE2-CG 3.5Å; F302-H327 AromaticContact CE2-ND1 3.5Å; F302-H327 AromaticContact CG-ND1 3.59Å; F302-H327 AromaticContact CZ-CD2 3.87Å; F302-H327 AromaticContact CZ-CE1 3.31Å; F302-H327 WeakPolarHBondContact CZ-CE1 3.36Å; F302-H327 AromaticContact CZ-CG 3.85Å; F302-H327 AromaticContact CZ-ND1 3.52Å; F302-H327 AromaticContact CZ-NE2 3.58Å; F302-H327 PolarHBondContact O-CE1 3.42Å; F302-H327 PolarHBondContact O-ND1 3.25Å; H327-I329 PolarHBondContact O-N 3.35Å; H327-S344 WeakPolarHBondContact O-CA 3.04Å; H327-S344 PolarHBondContact O-OG 3.48Å; H327-D345 HydrophobicContact CB-CB 4.13Å; H327-D345 IonicContact CD2-OD2 2.73Å; H327-D345 PolarHBondContact O-N 2.59Å
328	V	97	Very high	95.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	108.1	-179.7	-170.5	0	0	0	0	107.7	L286 A300 S301 I306 M325 Q326	L286-V328 WeakPolarHBondContact CD1-O 3.49Å; A300-V328 HydrophobicContact CB-CB 3.91Å; A300-V328 HydrophobicContact CB-CG1 3.47Å; A300-V328 VanDerWaalsContact CB-CG1 3.47Å; S301-V328 PolarHBondContact O-N 3.49Å; I306-V328 HydrophobicContact CG1-CG1 4.05Å; I306-V328 HydrophobicContact CG1-CG2 4.23Å; M325-V328 HydrophobicContact CE-CG2 3.75Å; M325-V328 HydrophobicContact CG-CG2 3.96Å; M325-V328 HydrophobicContact SD-CG2 3.84Å; Q326-V328 PolarHBondContact O-N 3.13Å
329	I	96.3	Very high	95.1	Very high	34 Å²	34	47.7 Å²	47.7	17%	0.174	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-45	-172.3	-57.7	173.9	0	0	0	110.4	L286 D287 H327 G343 D345	L286-I329 WeakPolarHBondContact CB-O 3.48Å; L286-I329 HydrophobicContact CD1-CG1 4.45Å; D287-I329 WeakPolarHBondContact CB-O 3.45Å; H327-I329 PolarHBondContact O-N 3.35Å; I329-G343 PolarHBondContact N-O 3.17Å; I329-D345 HydrophobicContact CD1-CB 4.06Å; I329-D345 HydrophobicContact CG1-CB 4.5Å
330	C	96	Very high	95.1	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.034	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	150.7	-175	56.8	0	0	0	0	112.3	L72 D287 S342 G343	L72-C330 VanDerWaalsContact CG-SG 3.59Å; D287-C330 WeakPolarHBondContact OD2-CA 3.38Å; C330-S342 WeakPolarHBondContact O-CA 3.18Å; C330-G343 PolarHBondContact N-O 3.11Å; C330-G343 PolarHBondContact O-N 3.12Å
331	V	97.7	Very high	95.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	141.4	-179.5	70.9	0	0	0	0	110.7	D287 V298 A300 I306 V340 L341	D287-V331 HydrophobicContact CB-CG1 4.18Å; D287-V331 PolarHBondContact OD2-N 3.47Å; V298-V331 HydrophobicContact CB-CG2 4.28Å; V298-V331 HydrophobicContact CG1-CB 4.36Å; V298-V331 HydrophobicContact CG1-CG1 3.9Å; V298-V331 HydrophobicContact CG1-CG2 3.58Å; V298-V331 HydrophobicContact CG2-CG2 3.71Å; A300-V331 HydrophobicContact CB-CB 3.86Å; A300-V331 HydrophobicContact CB-CG1 3.9Å; I306-V331 HydrophobicContact CG2-CG2 4.26Å; V331-V340 HydrophobicContact CG2-CG1 3.77Å; V331-L341 CarbonylContact C-O 3.56Å; V331-L341 VanDerWaalsContact CA-O 3.3Å; V331-L341 WeakPolarHBondContact CA-O 3.36Å; V331-L341 WeakPolarHBondContact CG2-O 3.42Å
332	K	97.5	Very high	95.2	Very high	13 Å²	13	44.5 Å²	44.5	6%	0.057	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	140.7	174.5	-66.3	-63.5	169.3	-156.2	0	111.9	L72 K74 D289 L341	L72-K332 HydrophobicContact CB-CG 3.9Å; L72-K332 WeakPolarHBondContact O-CE 3.27Å; K74-K332 HydrophobicContact CD-CB 4.31Å; K74-K332 HydrophobicContact CD-CD 4.4Å; D289-K332 HydrophobicContact CB-CD 4.22Å; D289-K332 IonicContact OD1-NZ 2.8Å; D289-K332 WeakPolarHBondContact OD2-CA 3.36Å; D289-K332 WeakPolarHBondContact OD2-CD 3.45Å; K332-L341 PolarHBondContact N-O 2.91Å; K332-L341 PolarHBondContact O-N 3.36Å
333	W	97.2	Very high	95.3	Very high	1 Å²	1	42.6 Å²	42.6	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	133.5	170.8	-153.3	-63.7	0	0	0	109.5	K74 D289 Y290 E296 V298 I308 N337 V340 A354	K74-W333 WeakPolarHBondContact CD-O 3.25Å; K74-W333 PolarHBondContact NZ-O 2.75Å; D289-W333 PolarHBondContact OD2-N 3.45Å; Y290-W333 WeakPolarHBondContact O-CB 3.41Å; E296-W333 HydrophobicContact CB-CH2 3.89Å; E296-W333 HydrophobicContact CB-CZ3 4.27Å; V298-W333 HydrophobicContact CB-CE3 3.69Å; V298-W333 HydrophobicContact CB-CZ3 3.89Å; V298-W333 HydrophobicContact CG1-CE3 3.81Å; I308-W333 HydrophobicContact CD1-CH2 4.5Å; I308-W333 HydrophobicContact CG1-CZ3 4.37Å; I308-W333 HydrophobicContact CG2-CH2 3.73Å; I308-W333 HydrophobicContact CG2-CZ3 3.85Å; W333-N337 VanDerWaalsContact NE1-C 3.29Å; W333-N337 VanDerWaalsContact NE1-CA 3.33Å; W333-N337 PolarHBondContact NE1-O 3.49Å; W333-N337 PolarHBondContact NE1-OD1 2.74Å; W333-V340 HydrophobicContact CD2-CG2 4.11Å; W333-V340 HydrophobicContact CE3-CG2 4.06Å; W333-V340 HydrophobicContact CZ3-CG2 4.33Å; W333-A354 HydrophobicContact CH2-CB 4.12Å; W333-A354 HydrophobicContact CZ2-CB 3.45Å; W333-A354 VanDerWaalsContact CZ2-CB 3.45Å
334	S	95.5	Very high	95.4	Very high	13 Å²	13	32.5 Å²	32.5	9%	0.091	15%	0.154	C	C	.	.			trans	-62.9	148.7	177.2	63.7	0	0	0	0	111.6	P292 D336 N337 K338 Y339	P292-S334 VanDerWaalsContact CG-O 3.24Å; P292-S334 WeakPolarHBondContact CG-O 3.4Å; S334-D336 WeakPolarHBondContact CB-OD1 3.32Å; S334-D336 PolarHBondContact O-N 3.39Å; S334-D336 PolarHBondContact OG-OD1 3.1Å; S334-N337 PolarHBondContact O-N 3.35Å; S334-N337 VanDerWaalsContact O-N 3.1Å; S334-K338 PolarHBondContact OG-N 2.82Å; S334-Y339 WeakPolarHBondContact CB-O 3.4Å; S334-Y339 PolarHBondContact N-O 2.82Å; S334-Y339 WeakPolarHBondContact OG-CA 3.21Å; S334-Y339 PolarHBondContact OG-N 3.47Å; S334-Y339 PolarHBondContact OG-O 3.03Å
335	A	92.6	Very high	95.6	Very high	45 Å²	45	26.3 Å²	26.3	37%	0.372	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-17.8	-178.9	0	0	0	0	0	113.6	L79 P292 N337	L79-A335 HydrophobicContact CD2-CB 3.45Å; L79-A335 VanDerWaalsContact CD2-CB 3.45Å; P292-A335 WeakPolarHBondContact CG-O 3.27Å; A335-N337 VanDerWaalsContact C-N 3.31Å
336	D	92.5	Very high	95.5	Very high	63 Å²	63	27.7 Å²	27.7	34%	0.337	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	3.8	174.2	74.5	-19.4	0	0	0	114.2	S334 K338 Y339	S334-D336 WeakPolarHBondContact CB-OD1 3.32Å; S334-D336 PolarHBondContact O-N 3.39Å; S334-D336 PolarHBondContact OG-OD1 3.1Å; D336-K338 PolarHBondContact O-N 2.76Å; D336-K338 VanDerWaalsContact O-N 3.12Å; D336-K338 PolarHBondContact OD1-N 2.96Å; D336-K338 VanDerWaalsContact OD1-N 3.12Å; D336-Y339 WeakPolarHBondContact OD2-CE2 3.3Å
337	N	95.4	Very high	95.4	Very high	48 Å²	48	28 Å²	28	26%	0.257	14%	0.144	S	C	.	.	S	Bend	trans	64.1	2.9	-177.6	-168.8	42.1	0	0	0	116	S291 P292 T293 W333 S334 A335	S291-N337 VanDerWaalsContact CB-OD1 3.24Å; S291-N337 WeakPolarHBondContact CB-OD1 3.31Å; P292-N337 HydrophobicContact CG-CB 4.47Å; T293-N337 HydrophobicContact CG2-CB 4.22Å; T293-N337 VanDerWaalsContact CG2-ND2 3.32Å; T293-N337 WeakPolarHBondContact CG2-ND2 3.37Å; W333-N337 VanDerWaalsContact NE1-C 3.29Å; W333-N337 VanDerWaalsContact NE1-CA 3.33Å; W333-N337 PolarHBondContact NE1-O 3.49Å; W333-N337 PolarHBondContact NE1-OD1 2.74Å; S334-N337 PolarHBondContact O-N 3.35Å; S334-N337 VanDerWaalsContact O-N 3.1Å; A335-N337 VanDerWaalsContact C-N 3.31Å
338	K	94.3	Very high	95.4	Very high	94 Å²	94	27.3 Å²	27.3	41%	0.409	14%	0.142	S	C	.	.	S	Bend	trans	-95.8	-21	-173.2	-71.7	-176.6	175.8	-177.6	0	114.8	S334 D336 A354	S334-K338 PolarHBondContact OG-N 2.82Å; D336-K338 PolarHBondContact O-N 2.76Å; D336-K338 VanDerWaalsContact O-N 3.12Å; D336-K338 PolarHBondContact OD1-N 2.96Å; D336-K338 VanDerWaalsContact OD1-N 3.12Å; K338-A354 WeakPolarHBondContact O-CB 3.42Å; K338-A354 PolarHBondContact O-N 3.38Å
339	Y	96.2	Very high	95.3	Very high	54 Å²	54	27.3 Å²	27.3	21%	0.212	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	156.4	-171.6	-52	-76.6	0	0	0	112.5	L59 S334 D336 L351 W352 K353 L360	L59-Y339 HydrophobicContact CD2-CD1 4.09Å; L59-Y339 HydrophobicContact CD2-CE1 3.63Å; S334-Y339 WeakPolarHBondContact CB-O 3.4Å; S334-Y339 PolarHBondContact N-O 2.82Å; S334-Y339 WeakPolarHBondContact OG-CA 3.21Å; S334-Y339 PolarHBondContact OG-N 3.47Å; S334-Y339 PolarHBondContact OG-O 3.03Å; D336-Y339 WeakPolarHBondContact OD2-CE2 3.3Å; Y339-L351 HydrophobicContact CD1-CD1 4.35Å; Y339-L351 HydrophobicContact CG-CD1 4.09Å; Y339-W352 CarbonylContact C-O 3.58Å; Y339-W352 WeakPolarHBondContact CA-O 3.38Å; Y339-W352 WeakPolarHBondContact CB-O 3.34Å; Y339-K353 HydrophobicContact CD1-CG 4.47Å; Y339-K353 HydrophobicContact CE1-CG 4.4Å; Y339-L360 HydrophobicContact CE1-CD2 4.04Å; Y339-L360 WeakPolarHBondContact OH-CD2 3.37Å
340	V	97.7	Very high	95.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	133.5	174.3	168.5	0	0	0	0	107.2	V298 I306 I308 V331 W333 W352 A354	V298-V340 HydrophobicContact CB-CG1 4.42Å; V298-V340 HydrophobicContact CB-CG2 4.4Å; V298-V340 HydrophobicContact CG1-CG1 4.35Å; V298-V340 HydrophobicContact CG2-CG1 3.75Å; V298-V340 HydrophobicContact CG2-CG2 4.32Å; I306-V340 HydrophobicContact CG2-CG1 4.15Å; I308-V340 HydrophobicContact CD1-CG2 4.26Å; V331-V340 HydrophobicContact CG2-CG1 3.77Å; W333-V340 HydrophobicContact CD2-CG2 4.11Å; W333-V340 HydrophobicContact CE3-CG2 4.06Å; W333-V340 HydrophobicContact CZ3-CG2 4.33Å; V340-W352 HydrophobicContact CB-CB 4.26Å; V340-W352 PolarHBondContact N-O 3.28Å; V340-W352 PolarHBondContact O-N 2.96Å; V340-A354 HydrophobicContact CG2-CB 4.38Å
341	L	97.3	Very high	95.3	Very high	3 Å²	3	26.2 Å²	26.2	2%	0.016	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	136	177	-67.9	161.3	0	0	0	108.7	L72 L82 L96 V331 K332 R350 L351	L72-L341 HydrophobicContact CD1-CB 4.46Å; L82-L341 HydrophobicContact CD1-CD1 3.66Å; L82-L341 HydrophobicContact CD2-CD1 3.76Å; L82-L341 HydrophobicContact CD2-CD2 3.89Å; L82-L341 HydrophobicContact CD2-CG 4.33Å; L82-L341 HydrophobicContact CG-CD1 4.24Å; L96-L341 HydrophobicContact CD1-CD1 4.27Å; L96-L341 HydrophobicContact CD2-CD2 3.98Å; V331-L341 CarbonylContact C-O 3.56Å; V331-L341 VanDerWaalsContact CA-O 3.3Å; V331-L341 WeakPolarHBondContact CA-O 3.36Å; V331-L341 WeakPolarHBondContact CG2-O 3.42Å; K332-L341 PolarHBondContact N-O 2.91Å; K332-L341 PolarHBondContact O-N 3.36Å; L341-R350 CarbonylContact C-O 3.58Å; L341-R350 WeakPolarHBondContact CA-O 3.42Å; L341-L351 HydrophobicContact CD2-CB 4.24Å; L341-L351 HydrophobicContact CD2-CD1 3.45Å; L341-L351 VanDerWaalsContact CD2-CD1 3.45Å; L341-L351 HydrophobicContact CD2-CG 4.43Å; L341-L351 HydrophobicContact CG-CD1 4.07Å
342	S	97.2	Very high	95.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	128.3	177.7	61.5	0	0	0	0	110.9	I306 C330 I349 R350 W352	I306-S342 WeakPolarHBondContact CD1-OG 3.4Å; C330-S342 WeakPolarHBondContact O-CA 3.18Å; S342-I349 CarbonylContact O-C 3.56Å; S342-I349 VanDerWaalsContact O-CA 3.31Å; S342-I349 WeakPolarHBondContact O-CA 3.34Å; S342-R350 PolarHBondContact N-O 3.17Å; S342-R350 PolarHBondContact O-N 2.83Å; S342-W352 PolarHBondContact OG-NE1 3.25Å
343	G	96.3	Very high	95.3	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	-95.4	127	167.6	0	0	0	0	0	109.6	I329 C330	I329-G343 PolarHBondContact N-O 3.17Å; C330-G343 PolarHBondContact N-O 3.11Å; C330-G343 PolarHBondContact O-N 3.12Å
344	S	95	Very high	95.2	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	-111.9	158.2	-179.4	-175.9	0	0	0	0	110.3	V69 Q326 H327 E346 M347 N348	V69-S344 PolarHBondContact N-O 3.48Å; Q326-S344 PolarHBondContact N-OG 3.47Å; H327-S344 WeakPolarHBondContact O-CA 3.04Å; H327-S344 PolarHBondContact O-OG 3.48Å; S344-E346 WeakPolarHBondContact CB-OE1 3.36Å; S344-E346 PolarHBondContact O-N 3.49Å; S344-E346 PolarHBondContact OG-N 3.3Å; S344-E346 PolarHBondContact OG-OE1 2.93Å; S344-M347 PolarHBondContact O-N 2.8Å; S344-N348 PolarHBondContact N-O 3.47Å
345	D	93.6	Very high	95.3	Very high	69 Å²	69	29.8 Å²	29.8	37%	0.369	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-20.1	171.2	-162.9	39.9	0	0	0	112.5	G68 H327 I329 M347	G68-D345 VanDerWaalsContact CA-O 3.28Å; G68-D345 WeakPolarHBondContact CA-O 3.3Å; H327-D345 HydrophobicContact CB-CB 4.13Å; H327-D345 IonicContact CD2-OD2 2.73Å; H327-D345 PolarHBondContact O-N 2.59Å; I329-D345 HydrophobicContact CD1-CB 4.06Å; I329-D345 HydrophobicContact CG1-CB 4.5Å; D345-M347 PolarHBondContact O-N 3.45Å; D345-M347 VanDerWaalsContact O-N 3.08Å
346	E	90.9	Very high	95.4	Very high	32 Å²	32	27.9 Å²	27.9	15%	0.15	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	25.8	176.7	88	-148.6	98.7	0	0	114	M325 Q326 S344 N348 R350	M325-E346 WeakPolarHBondContact CA-OE1 3.41Å; M325-E346 PolarHBondContact N-OE2 3.05Å; Q326-E346 HydrophobicContact CB-CB 4.25Å; Q326-E346 HydrophobicContact CG-CB 4Å; Q326-E346 PolarHBondContact N-OE1 2.72Å; Q326-E346 VanDerWaalsContact N-OE1 3.09Å; S344-E346 WeakPolarHBondContact CB-OE1 3.36Å; S344-E346 PolarHBondContact O-N 3.49Å; S344-E346 PolarHBondContact OG-N 3.3Å; S344-E346 PolarHBondContact OG-OE1 2.93Å; E346-N348 HydrophobicContact CG-CB 3.98Å; E346-N348 PolarHBondContact O-N 3.03Å; E346-N348 PolarHBondContact O-ND2 3.34Å; E346-R350 IonicContact OE1-CZ 2.67Å; E346-R350 IonicContact OE1-NH1 3.66Å; E346-R350 PolarHBondContact OE1-NH1 2.69Å; E346-R350 IonicContact OE1-NH2 3.35Å; E346-R350 IonicContact OE2-CZ 3.39Å; E346-R350 IonicContact OE2-NH1 3.47Å; E346-R350 PolarHBondContact OE2-NH1 2.92Å; E346-R350 IonicContact OE2-NH2 3.75Å; E346-R350 PolarHBondContact OE2-NH2 3.06Å
347	M	92.9	Very high	95.5	Very high	71 Å²	71	26.6 Å²	26.6	35%	0.35	14%	0.135	S	C	.	.	S	Bend	trans	69.8	-15.5	178.6	-46.8	143.5	-174.4	0	0	115.4	H65 R66 D67 V69 S344 D345	H65-M347 HydrophobicContact CB-CB 4.1Å; H65-M347 WeakPolarHBondContact CB-O 3.43Å; H65-M347 WeakPolarHBondContact O-CB 3.33Å; R66-M347 WeakPolarHBondContact O-CE 3.46Å; R66-M347 VanDerWaalsContact O-SD 3.4Å; D67-M347 VanDerWaalsContact CA-CG 3.49Å; D67-M347 WeakPolarHBondContact O-CA 3.3Å; D67-M347 WeakPolarHBondContact O-CB 3.48Å; D67-M347 VanDerWaalsContact O-CG 3.29Å; D67-M347 WeakPolarHBondContact O-CG 3.47Å; V69-M347 VanDerWaalsContact CG2-O 3.28Å; V69-M347 WeakPolarHBondContact CG2-O 3.41Å; S344-M347 PolarHBondContact O-N 2.8Å; D345-M347 PolarHBondContact O-N 3.45Å; D345-M347 VanDerWaalsContact O-N 3.08Å
348	N	93.9	Very high	95.4	Very high	28 Å²	28	27.7 Å²	27.7	15%	0.15	14%	0.139	C	C	.	.			trans	-89.1	140.5	-173	-80.7	-85.8	0	0	0	112.8	S61 S344 E346	S61-N348 PolarHBondContact OG-OD1 3.27Å; S344-N348 PolarHBondContact N-O 3.47Å; E346-N348 HydrophobicContact CG-CB 3.98Å; E346-N348 PolarHBondContact O-N 3.03Å; E346-N348 PolarHBondContact O-ND2 3.34Å
349	I	95.8	Very high	95.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	129.4	166	-52.5	163	0	0	0	107.9	S61 L62 V69 L72 L82 S84 W94 S342	S61-I349 CarbonylContact C-O 3.38Å; S61-I349 WeakPolarHBondContact CA-O 3.45Å; L62-I349 HydrophobicContact CB-CB 4.2Å; L62-I349 HydrophobicContact CD1-CB 4.44Å; L62-I349 HydrophobicContact CD1-CG2 4.3Å; L62-I349 PolarHBondContact N-O 3.3Å; L62-I349 PolarHBondContact O-N 3.49Å; L62-I349 VanDerWaalsContact O-N 3.16Å; V69-I349 HydrophobicContact CG1-CG1 4.24Å; V69-I349 HydrophobicContact CG2-CG1 3.95Å; L72-I349 HydrophobicContact CD2-CD1 4.04Å; L72-I349 HydrophobicContact CD2-CG1 4.32Å; L72-I349 HydrophobicContact CD2-CG2 4.36Å; L82-I349 HydrophobicContact CD2-CG2 4.14Å; S84-I349 WeakPolarHBondContact OG-CD1 3.19Å; W94-I349 HydrophobicContact CZ2-CD1 4.23Å; S342-I349 CarbonylContact O-C 3.56Å; S342-I349 VanDerWaalsContact O-CA 3.31Å; S342-I349 WeakPolarHBondContact O-CA 3.34Å
350	R	96.2	Very high	95	Very high	9 Å²	9	29.9 Å²	29.9	3%	0.034	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	141.2	178.6	-65.7	-174.1	176.8	84.4	4.2	112	F58 L341 S342 E346 W352	F58-R350 HydrophobicContact CE2-CB 4.23Å; F58-R350 HydrophobicContact CE2-CG 4.04Å; L341-R350 CarbonylContact C-O 3.58Å; L341-R350 WeakPolarHBondContact CA-O 3.42Å; S342-R350 PolarHBondContact N-O 3.17Å; S342-R350 PolarHBondContact O-N 2.83Å; E346-R350 IonicContact OE1-CZ 2.67Å; E346-R350 IonicContact OE1-NH1 3.66Å; E346-R350 PolarHBondContact OE1-NH1 2.69Å; E346-R350 IonicContact OE1-NH2 3.35Å; E346-R350 IonicContact OE2-CZ 3.39Å; E346-R350 IonicContact OE2-NH1 3.47Å; E346-R350 PolarHBondContact OE2-NH1 2.92Å; E346-R350 IonicContact OE2-NH2 3.75Å; E346-R350 PolarHBondContact OE2-NH2 3.06Å; R350-W352 HydrophobicContact CB-CZ2 4.16Å
351	L	96.1	Very high	94.7	Very high	7 Å²	7	32.9 Å²	32.9	4%	0.037	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	126.2	175	-177.4	68.3	0	0	0	109.6	L59 A60 Y339 L341	L59-L351 HydrophobicContact CB-CD2 4.38Å; L59-L351 HydrophobicContact CB-CG 4.28Å; L59-L351 WeakPolarHBondContact CB-O 3.43Å; L59-L351 HydrophobicContact CD2-CD2 3.58Å; L59-L351 HydrophobicContact CD2-CG 4.11Å; L59-L351 HydrophobicContact CG-CD2 4.14Å; L59-L351 PolarHBondContact N-O 2.73Å; A60-L351 PolarHBondContact N-O 3.47Å; A60-L351 PolarHBondContact O-N 2.93Å; Y339-L351 HydrophobicContact CD1-CD1 4.35Å; Y339-L351 HydrophobicContact CG-CD1 4.09Å; L341-L351 HydrophobicContact CD2-CB 4.24Å; L341-L351 HydrophobicContact CD2-CD1 3.45Å; L341-L351 VanDerWaalsContact CD2-CD1 3.45Å; L341-L351 HydrophobicContact CD2-CG 4.43Å; L341-L351 HydrophobicContact CG-CD1 4.07Å
352	W	97.3	Very high	94.5	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.015	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	150.6	-178.5	-50.3	87.1	0	0	0	109.8	P57 F58 I306 Y320 T322 M325 Y339 V340 S342 R350	P57-W352 HydrophobicContact CB-CE3 4.28Å; P57-W352 HydrophobicContact CG-CE3 4.43Å; P57-W352 CarbonylContact O-C 3.58Å; P57-W352 VanDerWaalsContact O-CA 3.27Å; P57-W352 WeakPolarHBondContact O-CA 3.14Å; F58-W352 HydrophobicContact CB-CE3 3.93Å; F58-W352 HydrophobicContact CB-CZ3 3.79Å; F58-W352 HydrophobicContact CD2-CD2 4.49Å; F58-W352 HydrophobicContact CD2-CE3 4.22Å; F58-W352 HydrophobicContact CD2-CH2 4.21Å; F58-W352 HydrophobicContact CD2-CZ2 4.41Å; F58-W352 HydrophobicContact CD2-CZ3 4.07Å; F58-W352 HydrophobicContact CG-CZ3 4.41Å; I306-W352 HydrophobicContact CD1-CZ2 4.06Å; I306-W352 VanDerWaalsContact CD1-NE1 3.33Å; Y320-W352 HydrophobicContact CD2-CB 3.89Å; Y320-W352 HydrophobicContact CD2-CD2 4.05Å; Y320-W352 AromaticContact CD2-CE3 3.98Å; Y320-W352 HydrophobicContact CD2-CE3 3.98Å; Y320-W352 HydrophobicContact CD2-CG 4.04Å; Y320-W352 HydrophobicContact CE2-CB 3.97Å; Y320-W352 HydrophobicContact CG-CD2 4.39Å; Y320-W352 AromaticContact CG-CE3 3.97Å; Y320-W352 HydrophobicContact CG-CE3 3.97Å; Y320-W352 HydrophobicContact CG-CZ3 4.32Å; T322-W352 HydrophobicContact CG2-CH2 3.48Å; T322-W352 VanDerWaalsContact CG2-CH2 3.48Å; T322-W352 HydrophobicContact CG2-CZ2 4.29Å; T322-W352 HydrophobicContact CG2-CZ3 4.25Å; M325-W352 HydrophobicContact CE-CZ2 4.36Å; M325-W352 HydrophobicContact SD-CZ2 3.79Å; Y339-W352 CarbonylContact C-O 3.58Å; Y339-W352 WeakPolarHBondContact CA-O 3.38Å; Y339-W352 WeakPolarHBondContact CB-O 3.34Å; V340-W352 HydrophobicContact CB-CB 4.26Å; V340-W352 PolarHBondContact N-O 3.28Å; V340-W352 PolarHBondContact O-N 2.96Å; S342-W352 PolarHBondContact OG-NE1 3.25Å; R350-W352 HydrophobicContact CB-CZ2 4.16Å
353	K	97.3	Very high	94.3	Very high	30 Å²	30	42.5 Å²	42.5	13%	0.13	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	134	164.8	-60.3	-179.8	-177.7	-178.9	0	109.3	P57 Y320 Y339 N355 E358 L360	P57-K353 PolarHBondContact O-N 3.02Å; Y320-K353 WeakPolarHBondContact CE2-O 3.34Å; Y320-K353 VanDerWaalsContact CZ-O 3.31Å; Y320-K353 PolarHBondContact OH-O 3.27Å; Y339-K353 HydrophobicContact CD1-CG 4.47Å; Y339-K353 HydrophobicContact CE1-CG 4.4Å; K353-N355 VanDerWaalsContact C-N 3.35Å; K353-N355 WeakPolarHBondContact CB-O 3.38Å; K353-E358 PolarHBondContact NZ-O 3.49Å; K353-L360 HydrophobicContact CD-CD2 4.39Å
354	A	96.3	Very high	94.4	Very high	1 Å²	1	45 Å²	45	1%	0.008	26%	0.257	C	S	.	.	S	Bend	trans	-58.5	-51.5	169.4	0	0	0	0	0	109.5	I308 R317 Y320 W333 K338 V340	I308-A354 WeakPolarHBondContact CD1-O 3.48Å; R317-A354 PolarHBondContact NH2-O 3.44Å; Y320-A354 PolarHBondContact OH-O 3.31Å; W333-A354 HydrophobicContact CH2-CB 4.12Å; W333-A354 HydrophobicContact CZ2-CB 3.45Å; W333-A354 VanDerWaalsContact CZ2-CB 3.45Å; K338-A354 WeakPolarHBondContact O-CB 3.42Å; K338-A354 PolarHBondContact O-N 3.38Å; V340-A354 HydrophobicContact CG2-CB 4.38Å
355	N	95.8	Very high	94.5	Very high	67 Å²	67	49.9 Å²	49.9	36%	0.358	29%	0.289	S	S	.	.	S	Bend	trans	-96	105	171.9	-66.1	-32.1	0	0	0	110.6	R317 K353 A357 E358	R317-N355 PolarHBondContact NH1-OD1 3.31Å; R317-N355 VanDerWaalsContact NH1-OD1 3.11Å; R317-N355 PolarHBondContact NH2-OD1 2.67Å; K353-N355 VanDerWaalsContact C-N 3.35Å; K353-N355 WeakPolarHBondContact CB-O 3.38Å; N355-A357 VanDerWaalsContact C-N 3.26Å; N355-A357 PolarHBondContact O-N 3.24Å; N355-A357 VanDerWaalsContact O-N 3.15Å; N355-E358 HydrophobicContact CB-CB 3.71Å; N355-E358 WeakPolarHBondContact CB-OE2 3.38Å; N355-E358 PolarHBondContact ND2-OE2 3.25Å; N355-E358 WeakPolarHBondContact O-CB 3.46Å; N355-E358 PolarHBondContact O-N 2.97Å
356	A	95.3	Very high	94.6	Very high	5 Å²	5	56.8 Å²	56.8	4%	0.041	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-36.1	-174.2	0	0	0	0	0	114.9	A55 K56 P57 Y320	A55-A356 HydrophobicContact CB-CB 3.9Å; K56-A356 CarbonylContact C-O 3.57Å; K56-A356 PolarHBondContact N-O 3.14Å; P57-A356 HydrophobicContact CB-CB 3.81Å; P57-A356 HydrophobicContact CG-CB 4.29Å; Y320-A356 HydrophobicContact CE1-CB 4.28Å; Y320-A356 PolarHBondContact OH-N 3.21Å
357	A	94.7	Very high	94.8	Very high	37 Å²	37	58.8 Å²	58.8	31%	0.306	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-1.5	-177.2	0	0	0	0	0	113.8	E51 F54 N355 K359	E51-A357 HydrophobicContact CB-CB 4.46Å; E51-A357 HydrophobicContact CG-CB 3.8Å; F54-A357 HydrophobicContact CB-CB 4.42Å; F54-A357 WeakPolarHBondContact O-CA 3.35Å; N355-A357 VanDerWaalsContact C-N 3.26Å; N355-A357 PolarHBondContact O-N 3.24Å; N355-A357 VanDerWaalsContact O-N 3.15Å; A357-K359 PolarHBondContact O-N 3.14Å
358	E	93.6	Very high	94.9	Very high	70 Å²	70	62.5 Å²	62.5	33%	0.327	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-69.8	129.8	-177.8	-169	173.3	161.8	0	0	110.7	K353 N355	K353-E358 PolarHBondContact NZ-O 3.49Å; N355-E358 HydrophobicContact CB-CB 3.71Å; N355-E358 WeakPolarHBondContact CB-OE2 3.38Å; N355-E358 PolarHBondContact ND2-OE2 3.25Å; N355-E358 WeakPolarHBondContact O-CB 3.46Å; N355-E358 PolarHBondContact O-N 2.97Å
359	K	92	Very high	95	Very high	120 Å²	120	67.7 Å²	67.7	52%	0.522	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-76	135.3	176.3	-175.3	176.5	174.7	-169.2	0	108.8	A357 L363 E367	A357-K359 PolarHBondContact O-N 3.14Å; K359-L363 HydrophobicContact CB-CD2 4.24Å; K359-L363 HydrophobicContact CD-CD2 3.86Å; K359-L363 HydrophobicContact CG-CD2 4.28Å; K359-E367 IonicContact NZ-OE1 2.66Å; K359-E367 PolarHBondContact NZ-OE1 2.93Å
360	L	90.3	Very high	95.1	Very high	74 Å²	74	70.4 Å²	70.4	39%	0.387	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-80.5	150.4	176.3	-59.7	177.7	0	0	0	110.1	L59 Y339 K353	L59-L360 HydrophobicContact CD1-CD1 3.89Å; Y339-L360 HydrophobicContact CE1-CD2 4.04Å; Y339-L360 WeakPolarHBondContact OH-CD2 3.37Å; K353-L360 HydrophobicContact CD-CD2 4.39Å
361	G	90.2	Very high	95	Very high	64 Å²	64	73.2 Å²	73.2	66%	0.66	39%	0.394	S	S	*	.	S	Bend	trans	93.9	-174	178.6	0	0	0	0	0	114.6
362	V	93.1	Very high	95	Very high	150 Å²	150	78 Å²	78	91%	0.909	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-80.5	133	-179.7	-176	0	0	0	0	109.4
363	L	94.8	Very high	95	Very high	55 Å²	55	82.3 Å²	82.3	29%	0.288	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-99.3	142.4	178.6	-62.1	173.7	0	0	0	110.4	K359 I371	K359-L363 HydrophobicContact CB-CD2 4.24Å; K359-L363 HydrophobicContact CD-CD2 3.86Å; K359-L363 HydrophobicContact CG-CD2 4.28Å; L363-I371 HydrophobicContact CD1-CD1 3.77Å
364	S	96.8	Very high	95	Very high	52 Å²	52	82.4 Å²	82.4	36%	0.364	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-67.2	154	171.4	69.5	0	0	0	0	110.9	R366 E367 K368	S364-R366 PolarHBondContact O-N 2.82Å; S364-E367 PolarHBondContact N-OE2 3.04Å; S364-E367 PolarHBondContact O-N 2.97Å; S364-E367 VanDerWaalsContact O-N 3.1Å; S364-E367 WeakPolarHBondContact OG-CB 3.14Å; S364-E367 WeakPolarHBondContact OG-CG 3.27Å; S364-E367 PolarHBondContact OG-N 2.95Å; S364-E367 PolarHBondContact OG-OE2 3.39Å; S364-K368 PolarHBondContact O-N 3.45Å
365	P	96.9	Very high	94.9	Very high	102 Å²	102	86.5 Å²	86.5	66%	0.662	46%	0.457	S	S	*	.	H	α-helix	trans	-55	-38.7	178.9	-28	35.4	0	0	0	113.5	K368 Q369	P365-K368 PolarHBondContact O-N 3.16Å; P365-Q369 WeakPolarHBondContact O-CG 3.48Å; P365-Q369 PolarHBondContact O-N 2.68Å
366	R	96.1	Very high	95	Very high	215 Å²	215	88.2 Å²	88.2	81%	0.811	46%	0.461	S	S	*	.	H	α-helix	trans	-65.6	-43.3	177.2	-176.1	178.9	175.6	-177	-1.1	112.1	S364 Q369 A370	S364-R366 PolarHBondContact O-N 2.82Å; R366-Q369 PolarHBondContact O-N 3.15Å; R366-A370 WeakPolarHBondContact O-CB 3.31Å; R366-A370 PolarHBondContact O-N 2.79Å
367	E	95.3	Very high	95.1	Very high	74 Å²	74	88.2 Å²	88.2	35%	0.346	46%	0.46	S	S	.	.	H	α-helix	trans	-63.6	-43.8	175.3	-74.1	174.9	143.1	0	0	111.3	K359 S364 Q369 A370 I371	K359-E367 IonicContact NZ-OE1 2.66Å; K359-E367 PolarHBondContact NZ-OE1 2.93Å; S364-E367 PolarHBondContact N-OE2 3.04Å; S364-E367 PolarHBondContact O-N 2.97Å; S364-E367 VanDerWaalsContact O-N 3.1Å; S364-E367 WeakPolarHBondContact OG-CB 3.14Å; S364-E367 WeakPolarHBondContact OG-CG 3.27Å; S364-E367 PolarHBondContact OG-N 2.95Å; S364-E367 PolarHBondContact OG-OE2 3.39Å; E367-Q369 PolarHBondContact O-N 3.06Å; E367-A370 PolarHBondContact O-N 2.79Å; E367-I371 WeakPolarHBondContact O-CG1 3.28Å; E367-I371 PolarHBondContact O-N 2.9Å
368	K	95.4	Very high	95.1	Very high	148 Å²	148	88.3 Å²	88.3	64%	0.643	45%	0.454	S	S	*	.	H	α-helix	trans	-59.7	-45.2	177.2	-171.4	179.5	-178.6	-179.5	0	111.7	S364 P365 I371 H372	S364-K368 PolarHBondContact O-N 3.45Å; P365-K368 PolarHBondContact O-N 3.16Å; K368-I371 PolarHBondContact O-N 2.93Å; K368-H372 WeakPolarHBondContact O-CB 3.28Å; K368-H372 PolarHBondContact O-N 2.88Å
369	Q	96.6	Very high	95.3	Very high	137 Å²	137	89.8 Å²	89.8	64%	0.64	46%	0.46	S	S	*	.	H	α-helix	trans	-63	-41.3	175.4	-74.4	175.4	-1.4	0	0	112	P365 R366 E367 H372 Y373	P365-Q369 WeakPolarHBondContact O-CG 3.48Å; P365-Q369 PolarHBondContact O-N 2.68Å; R366-Q369 PolarHBondContact O-N 3.15Å; E367-Q369 PolarHBondContact O-N 3.06Å; Q369-H372 PolarHBondContact O-N 2.78Å; Q369-Y373 VanDerWaalsContact O-CB 3.29Å; Q369-Y373 WeakPolarHBondContact O-CB 3.35Å; Q369-Y373 PolarHBondContact O-N 2.75Å
370	A	96.3	Very high	95.5	Very high	58 Å²	58	90.2 Å²	90.2	48%	0.479	46%	0.462	S	S	.	.	H	α-helix	trans	-62.6	-42.7	177	0	0	0	0	0	112	R366 E367 Y373 S374	R366-A370 WeakPolarHBondContact O-CB 3.31Å; R366-A370 PolarHBondContact O-N 2.79Å; E367-A370 PolarHBondContact O-N 2.79Å; A370-Y373 PolarHBondContact O-N 3.42Å; A370-S374 WeakPolarHBondContact O-CB 3.17Å; A370-S374 PolarHBondContact O-N 2.79Å
371	I	94.9	Very high	95.8	Very high	68 Å²	68	88.1 Å²	88.1	35%	0.349	45%	0.45	S	S	.	.	H	α-helix	trans	-63.8	-48.5	175.7	-67.6	166.3	0	0	0	110.4	L363 E367 K368 Y373 S374 Q375	L363-I371 HydrophobicContact CD1-CD1 3.77Å; E367-I371 WeakPolarHBondContact O-CG1 3.28Å; E367-I371 PolarHBondContact O-N 2.9Å; K368-I371 PolarHBondContact O-N 2.93Å; I371-Y373 VanDerWaalsContact C-N 3.35Å; I371-Y373 PolarHBondContact O-N 2.99Å; I371-S374 PolarHBondContact O-N 2.93Å; I371-S374 VanDerWaalsContact O-N 3.16Å; I371-S374 PolarHBondContact O-OG 3.42Å; I371-Q375 HydrophobicContact CG2-CG 4.42Å; I371-Q375 WeakPolarHBondContact O-CG 3.02Å; I371-Q375 PolarHBondContact O-N 2.91Å
372	H	96.3	Very high	96.1	Very high	106 Å²	106	89.9 Å²	89.9	49%	0.491	44%	0.441	S	S	.	.	H	α-helix	trans	-60	-44.1	178.3	-178.1	-99.7	0	0	0	112	K368 Q369 S374 Q375 K376	K368-H372 WeakPolarHBondContact O-CB 3.28Å; K368-H372 PolarHBondContact O-N 2.88Å; Q369-H372 PolarHBondContact O-N 2.78Å; H372-S374 VanDerWaalsContact C-N 3.34Å; H372-S374 PolarHBondContact O-N 3.39Å; H372-Q375 PolarHBondContact O-N 2.77Å; H372-K376 WeakPolarHBondContact O-CG 3.22Å; H372-K376 PolarHBondContact O-N 2.8Å
373	Y	97	Very high	96.2	Very high	96 Å²	96	89.3 Å²	89.3	38%	0.376	43%	0.428	S	S	.	.	H	α-helix	trans	-59.6	-44.5	174.8	176.7	-113.7	0	0	0	111.6	R43 Q369 A370 I371 Q375 K376 L377	R43-Y373 PolarHBondContact NH1-OH 3.36Å; Q369-Y373 VanDerWaalsContact O-CB 3.29Å; Q369-Y373 WeakPolarHBondContact O-CB 3.35Å; Q369-Y373 PolarHBondContact O-N 2.75Å; A370-Y373 PolarHBondContact O-N 3.42Å; I371-Y373 VanDerWaalsContact C-N 3.35Å; I371-Y373 PolarHBondContact O-N 2.99Å; Y373-Q375 PolarHBondContact O-N 3.38Å; Y373-K376 PolarHBondContact O-N 3.06Å; Y373-L377 HydrophobicContact CD1-CD1 4.06Å; Y373-L377 HydrophobicContact CE1-CD1 3.47Å; Y373-L377 VanDerWaalsContact CE1-CD1 3.47Å; Y373-L377 HydrophobicContact CE1-CG 4.3Å; Y373-L377 HydrophobicContact CE2-CD1 4.11Å; Y373-L377 HydrophobicContact CE2-CD2 4.43Å; Y373-L377 HydrophobicContact CE2-CG 4.1Å; Y373-L377 VanDerWaalsContact CZ-CD1 3.5Å; Y373-L377 WeakPolarHBondContact O-CG 3.39Å; Y373-L377 PolarHBondContact O-N 3.2Å
374	S	96.7	Very high	96.3	Very high	32 Å²	32	90.2 Å²	90.2	22%	0.224	43%	0.431	C	S	.	.	H	α-helix	trans	-63.6	-39.1	177	79.7	0	0	0	0	112.7	A370 I371 H372 L377 K378	A370-S374 WeakPolarHBondContact O-CB 3.17Å; A370-S374 PolarHBondContact O-N 2.79Å; I371-S374 PolarHBondContact O-N 2.93Å; I371-S374 VanDerWaalsContact O-N 3.16Å; I371-S374 PolarHBondContact O-OG 3.42Å; H372-S374 VanDerWaalsContact C-N 3.34Å; H372-S374 PolarHBondContact O-N 3.39Å; S374-L377 PolarHBondContact O-N 2.93Å; S374-K378 WeakPolarHBondContact O-CG 3.43Å; S374-K378 PolarHBondContact O-N 3.1Å
375	Q	95.3	Very high	96.3	Very high	87 Å²	87	92.3 Å²	92.3	41%	0.407	44%	0.444	S	S	.	.	H	α-helix	trans	-64.3	-46.7	176.1	-74.5	174.2	-17.5	0	0	110.9	I371 H372 Y373 L377 K378 E379	I371-Q375 HydrophobicContact CG2-CG 4.42Å; I371-Q375 WeakPolarHBondContact O-CG 3.02Å; I371-Q375 PolarHBondContact O-N 2.91Å; H372-Q375 PolarHBondContact O-N 2.77Å; Y373-Q375 PolarHBondContact O-N 3.38Å; Q375-L377 VanDerWaalsContact C-N 3.34Å; Q375-L377 PolarHBondContact O-N 3.4Å; Q375-K378 WeakPolarHBondContact O-CB 3.45Å; Q375-K378 PolarHBondContact O-N 3.14Å; Q375-K378 VanDerWaalsContact O-N 3.13Å; Q375-E379 WeakPolarHBondContact O-CG 3.38Å; Q375-E379 PolarHBondContact O-N 3.34Å
376	K	97.7	Very high	96.3	Very high	102 Å²	102	92 Å²	92	44%	0.443	43%	0.433	S	S	.	.	H	α-helix	trans	-61.8	-39.4	176.7	-71.7	-72.4	160.9	-150.9	0	112.9	H372 Y373 E379 K380	H372-K376 WeakPolarHBondContact O-CG 3.22Å; H372-K376 PolarHBondContact O-N 2.8Å; Y373-K376 PolarHBondContact O-N 3.06Å; K376-E379 WeakPolarHBondContact CD-OE2 3.42Å; K376-E379 IonicContact NZ-OE1 3.34Å; K376-E379 IonicContact NZ-OE2 3.55Å; K376-E379 PolarHBondContact NZ-OE2 3.13Å; K376-E379 PolarHBondContact O-N 2.98Å; K376-K380 WeakPolarHBondContact O-CB 3.14Å; K376-K380 PolarHBondContact O-N 3.28Å
377	L	96.8	Very high	96.3	Very high	6 Å²	6	81.9 Å²	81.9	3%	0.031	40%	0.395	C	S	.	.	H	α-helix	trans	-64.1	-41.8	173.1	-78.2	-178.3	0	0	0	112.3	E40 R43 A44 Y373 S374 Q375 E379 K380 F381	E40-L377 HydrophobicContact CB-CD2 3.79Å; E40-L377 HydrophobicContact CG-CD2 3.94Å; R43-L377 HydrophobicContact CB-CD1 3.65Å; A44-L377 HydrophobicContact CB-CB 4.02Å; Y373-L377 HydrophobicContact CD1-CD1 4.06Å; Y373-L377 HydrophobicContact CE1-CD1 3.47Å; Y373-L377 VanDerWaalsContact CE1-CD1 3.47Å; Y373-L377 HydrophobicContact CE1-CG 4.3Å; Y373-L377 HydrophobicContact CE2-CD1 4.11Å; Y373-L377 HydrophobicContact CE2-CD2 4.43Å; Y373-L377 HydrophobicContact CE2-CG 4.1Å; Y373-L377 VanDerWaalsContact CZ-CD1 3.5Å; Y373-L377 WeakPolarHBondContact O-CG 3.39Å; Y373-L377 PolarHBondContact O-N 3.2Å; S374-L377 PolarHBondContact O-N 2.93Å; Q375-L377 VanDerWaalsContact C-N 3.34Å; Q375-L377 PolarHBondContact O-N 3.4Å; L377-E379 VanDerWaalsContact C-N 3.34Å; L377-E379 PolarHBondContact O-N 3.32Å; L377-K380 PolarHBondContact O-N 2.95Å; L377-F381 HydrophobicContact CD2-CE2 4.22Å; L377-F381 WeakPolarHBondContact O-CD2 3.44Å; L377-F381 PolarHBondContact O-N 3.36Å
378	K	96.2	Very high	96.3	Very high	39 Å²	39	82 Å²	82	17%	0.17	39%	0.394	C	S	.	.	H	α-helix	trans	-62.1	-42	175.5	-74.1	-173.2	-64.9	165.1	0	111.8	A47 T48 E51 S374 Q375 F381 Q382	A47-K378 HydrophobicContact CB-CD 4.47Å; A47-K378 HydrophobicContact CB-CG 4.3Å; T48-K378 HydrophobicContact CG2-CD 3.71Å; T48-K378 HydrophobicContact CG2-CG 3.71Å; E51-K378 IonicContact OE1-NZ 2.65Å; E51-K378 PolarHBondContact OE1-NZ 3.06Å; E51-K378 WeakPolarHBondContact OE2-CD 3.39Å; E51-K378 IonicContact OE2-NZ 3.5Å; E51-K378 PolarHBondContact OE2-NZ 3.03Å; S374-K378 WeakPolarHBondContact O-CG 3.43Å; S374-K378 PolarHBondContact O-N 3.1Å; Q375-K378 WeakPolarHBondContact O-CB 3.45Å; Q375-K378 PolarHBondContact O-N 3.14Å; Q375-K378 VanDerWaalsContact O-N 3.13Å; K378-F381 CarbonylContact O-C 3.59Å; K378-F381 PolarHBondContact O-N 2.87Å; K378-Q382 VanDerWaalsContact O-CA 3.3Å; K378-Q382 WeakPolarHBondContact O-CA 3.47Å; K378-Q382 WeakPolarHBondContact O-CB 3.37Å; K378-Q382 PolarHBondContact O-N 2.79Å
379	E	95.8	Very high	96.4	Very high	100 Å²	100	83.5 Å²	83.5	47%	0.467	40%	0.396	S	S	.	.	H	α-helix	trans	-60.3	-48.9	174.3	-72	169.7	-170.8	0	0	110.9	Q375 K376 L377 F381 Q382	Q375-E379 WeakPolarHBondContact O-CG 3.38Å; Q375-E379 PolarHBondContact O-N 3.34Å; K376-E379 WeakPolarHBondContact CD-OE2 3.42Å; K376-E379 IonicContact NZ-OE1 3.34Å; K376-E379 IonicContact NZ-OE2 3.55Å; K376-E379 PolarHBondContact NZ-OE2 3.13Å; K376-E379 PolarHBondContact O-N 2.98Å; L377-E379 VanDerWaalsContact C-N 3.34Å; L377-E379 PolarHBondContact O-N 3.32Å; E379-F381 VanDerWaalsContact C-N 3.35Å; E379-F381 PolarHBondContact O-N 3.44Å; E379-Q382 WeakPolarHBondContact O-CB 3.38Å; E379-Q382 VanDerWaalsContact O-CG 3.28Å; E379-Q382 WeakPolarHBondContact O-CG 3.2Å; E379-Q382 PolarHBondContact O-N 3.47Å
380	K	97.3	Very high	96.4	Very high	129 Å²	129	78.8 Å²	78.8	56%	0.561	38%	0.375	S	S	*	.	H	α-helix	trans	-57.1	-44.2	178.7	-175.5	177.1	-179.8	179.7	0	112.5	E40 K376 L377	E40-K380 IonicContact OE2-NZ 2.92Å; E40-K380 PolarHBondContact OE2-NZ 3.46Å; K376-K380 WeakPolarHBondContact O-CB 3.14Å; K376-K380 PolarHBondContact O-N 3.28Å; L377-K380 PolarHBondContact O-N 2.95Å
381	F	97.1	Very high	96.3	Very high	30 Å²	30	77.4 Å²	77.4	13%	0.132	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	16.5	-176.7	-65.9	-81.2	0	0	0	114.4	V37 E40 Y41 A44 L377 K378 E379 H383 H384 I387	V37-F381 HydrophobicContact CG1-CE1 4.24Å; V37-F381 HydrophobicContact CG1-CZ 4.18Å; E40-F381 HydrophobicContact CB-CE2 3.79Å; E40-F381 HydrophobicContact CB-CZ 4.06Å; Y41-F381 HydrophobicContact CD2-CD1 4.12Å; Y41-F381 HydrophobicContact CD2-CE1 4.46Å; A44-F381 HydrophobicContact CB-CB 4.18Å; A44-F381 HydrophobicContact CB-CD2 3.78Å; A44-F381 HydrophobicContact CB-CG 4.27Å; L377-F381 HydrophobicContact CD2-CE2 4.22Å; L377-F381 WeakPolarHBondContact O-CD2 3.44Å; L377-F381 PolarHBondContact O-N 3.36Å; K378-F381 CarbonylContact O-C 3.59Å; K378-F381 PolarHBondContact O-N 2.87Å; E379-F381 VanDerWaalsContact C-N 3.35Å; E379-F381 PolarHBondContact O-N 3.44Å; F381-H383 PolarHBondContact O-N 3.34Å; F381-H383 VanDerWaalsContact O-N 3.08Å; F381-H384 WeakPolarHBondContact O-CB 3.18Å; F381-H384 PolarHBondContact O-N 3.26Å; F381-I387 HydrophobicContact CB-CD1 3.57Å; F381-I387 HydrophobicContact CG-CD1 4.44Å
382	Q	94.9	Very high	96.1	Very high	102 Å²	102	82.3 Å²	82.3	48%	0.477	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-28.6	-172.2	70	-178.7	-5.2	0	0	114.3	K378 E379	K378-Q382 VanDerWaalsContact O-CA 3.3Å; K378-Q382 WeakPolarHBondContact O-CA 3.47Å; K378-Q382 WeakPolarHBondContact O-CB 3.37Å; K378-Q382 PolarHBondContact O-N 2.79Å; E379-Q382 WeakPolarHBondContact O-CB 3.38Å; E379-Q382 VanDerWaalsContact O-CG 3.28Å; E379-Q382 WeakPolarHBondContact O-CG 3.2Å; E379-Q382 PolarHBondContact O-N 3.47Å
383	H	95.8	Very high	96	Very high	137 Å²	137	83.6 Å²	83.6	63%	0.634	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-12.3	-177.2	-62.2	-67.2	0	0	0	113.3	F381	F381-H383 PolarHBondContact O-N 3.34Å; F381-H383 VanDerWaalsContact O-N 3.08Å
384	H	97.1	Very high	95.7	Very high	74 Å²	74	81.8 Å²	81.8	34%	0.343	38%	0.376	S	S	.	.	S	Bend	trans	-63.9	130.7	-179.2	-169.5	-88.8	0	0	0	110.7	Y41 F381 Q386 I387 K388	Y41-H384 HydrophobicContact CE2-CB 4.38Å; Y41-H384 AromaticContact CE2-CD2 3.95Å; Y41-H384 AromaticContact CE2-CE1 3.56Å; Y41-H384 AromaticContact CE2-CG 3.66Å; Y41-H384 AromaticContact CE2-ND1 3.41Å; Y41-H384 WeakPolarHBondContact CE2-ND1 3.3Å; Y41-H384 AromaticContact CE2-NE2 3.9Å; Y41-H384 AromaticContact CZ-CE1 3.56Å; Y41-H384 AromaticContact CZ-ND1 3.76Å; Y41-H384 PolarHBondContact OH-CE1 3.11Å; Y41-H384 PolarHBondContact OH-ND1 2.88Å; F381-H384 WeakPolarHBondContact O-CB 3.18Å; F381-H384 PolarHBondContact O-N 3.26Å; H384-Q386 PolarHBondContact O-N 3.2Å; H384-I387 HydrophobicContact CB-CB 4.31Å; H384-I387 HydrophobicContact CB-CD1 4.27Å; H384-I387 HydrophobicContact CB-CG1 4.48Å; H384-I387 PolarHBondContact O-N 3.21Å; H384-K388 VanDerWaalsContact O-CB 3.25Å; H384-K388 WeakPolarHBondContact O-CB 3.23Å; H384-K388 PolarHBondContact O-N 3.05Å
385	P	96.8	Very high	95.6	Very high	97 Å²	97	87.1 Å²	87.1	63%	0.63	40%	0.397	S	S	*	.	H	α-helix	trans	-54.7	-44	-170.1	-28.9	34.5	0	0	0	114.8	R389	P385-R389 VanDerWaalsContact O-CB 3.23Å; P385-R389 WeakPolarHBondContact O-CB 3.05Å; P385-R389 PolarHBondContact O-N 3.3Å
386	Q	96.3	Very high	95.5	Very high	94 Å²	94	84.2 Å²	84.2	44%	0.439	39%	0.385	S	S	.	.	H	α-helix	trans	-65.6	-46.4	-179.9	-66.8	-175.2	-0.9	0	0	112.2	Y41 H384 R389 I390	Y41-Q386 PolarHBondContact OH-OE1 3.39Å; H384-Q386 PolarHBondContact O-N 3.2Å; Q386-R389 PolarHBondContact O-N 3.1Å; Q386-I390 VanDerWaalsContact O-CG1 3.3Å; Q386-I390 WeakPolarHBondContact O-CG1 3.4Å; Q386-I390 PolarHBondContact O-N 3.39Å; Q386-I390 VanDerWaalsContact O-N 3.08Å
387	I	96.7	Very high	95.4	Very high	3 Å²	3	81.1 Å²	81.1	2%	0.015	38%	0.375	C	S	.	.	H	α-helix	trans	-65.4	-48.5	-179.9	-69.9	176.1	0	0	0	109.5	Y41 A44 L45 T48 F381 H384 R389 I390 A391	Y41-I387 HydrophobicContact CD2-CD1 3.88Å; Y41-I387 HydrophobicContact CE2-CD1 3.59Å; Y41-I387 HydrophobicContact CE2-CG1 4.13Å; A44-I387 HydrophobicContact CB-CD1 3.96Å; L45-I387 HydrophobicContact CB-CG1 4.42Å; L45-I387 HydrophobicContact CD1-CG1 4Å; T48-I387 HydrophobicContact CG2-CG2 3.66Å; F381-I387 HydrophobicContact CB-CD1 3.57Å; F381-I387 HydrophobicContact CG-CD1 4.44Å; H384-I387 HydrophobicContact CB-CB 4.31Å; H384-I387 HydrophobicContact CB-CD1 4.27Å; H384-I387 HydrophobicContact CB-CG1 4.48Å; H384-I387 PolarHBondContact O-N 3.21Å; I387-R389 VanDerWaalsContact C-N 3.33Å; I387-R389 PolarHBondContact O-N 3.1Å; I387-I390 PolarHBondContact O-N 2.87Å; I387-A391 WeakPolarHBondContact O-CB 3.43Å; I387-A391 PolarHBondContact O-N 3.23Å
388	K	95.9	Very high	95.4	Very high	76 Å²	76	89 Å²	89	33%	0.33	41%	0.409	S	S	.	.	H	α-helix	trans	-58	-42.7	177	-172.5	177.9	179.1	-178.2	0	112.3	H384 R392	H384-K388 VanDerWaalsContact O-CB 3.25Å; H384-K388 WeakPolarHBondContact O-CB 3.23Å; H384-K388 PolarHBondContact O-N 3.05Å; K388-R392 VanDerWaalsContact CE-NH1 3.31Å; K388-R392 VanDerWaalsContact CE-NH2 3.26Å; K388-R392 WeakPolarHBondContact O-CB 3.35Å; K388-R392 VanDerWaalsContact O-CG 3.27Å; K388-R392 WeakPolarHBondContact O-CG 3.36Å; K388-R392 PolarHBondContact O-N 2.91Å
389	R	96.5	Very high	95.3	Very high	181 Å²	181	91.7 Å²	91.7	68%	0.683	43%	0.428	S	S	*	.	H	α-helix	trans	-63	-48.7	177.5	-175.5	-179.8	69.6	175.4	2	111.5	P385 Q386 I387 R392 H393	P385-R389 VanDerWaalsContact O-CB 3.23Å; P385-R389 WeakPolarHBondContact O-CB 3.05Å; P385-R389 PolarHBondContact O-N 3.3Å; Q386-R389 PolarHBondContact O-N 3.1Å; I387-R389 VanDerWaalsContact C-N 3.33Å; I387-R389 PolarHBondContact O-N 3.1Å; R389-R392 PolarHBondContact O-N 3.5Å; R389-H393 WeakPolarHBondContact O-CB 3.26Å; R389-H393 PolarHBondContact O-N 2.93Å; R389-H393 VanDerWaalsContact O-N 3.08Å
390	I	96.2	Very high	95.2	Very high	37 Å²	37	87.4 Å²	87.4	19%	0.19	41%	0.409	C	S	.	.	H	α-helix	trans	-66	-44	179.8	-65.3	165.6	0	0	0	110.6	L45 K49 R52 Q386 I387 R392 H393	L45-I390 HydrophobicContact CD1-CD1 3.71Å; K49-I390 HydrophobicContact CG-CD1 4.2Å; K49-I390 HydrophobicContact CG-CG2 4.45Å; R52-I390 HydrophobicContact CG-CG2 3.92Å; Q386-I390 VanDerWaalsContact O-CG1 3.3Å; Q386-I390 WeakPolarHBondContact O-CG1 3.4Å; Q386-I390 PolarHBondContact O-N 3.39Å; Q386-I390 VanDerWaalsContact O-N 3.08Å; I387-I390 PolarHBondContact O-N 2.87Å; I390-R392 VanDerWaalsContact C-N 3.32Å; I390-R392 PolarHBondContact O-N 3.26Å; I390-H393 PolarHBondContact O-N 3.49Å
391	A	94.1	Very high	95.1	Very high	30 Å²	30	87.1 Å²	87.1	25%	0.248	41%	0.405	C	S	.	.	H	α-helix	trans	-63.9	-35	-179.4	0	0	0	0	0	112.8	I387 R394	I387-A391 WeakPolarHBondContact O-CB 3.43Å; I387-A391 PolarHBondContact O-N 3.23Å; A391-R394 PolarHBondContact O-NH1 3Å; A391-R394 PolarHBondContact O-NH2 3.41Å; A391-R394 VanDerWaalsContact O-NH2 3.1Å
392	R	91.8	Very high	95.1	Very high	170 Å²	170	91.2 Å²	91.2	64%	0.642	42%	0.424	S	S	*	.	H	α-helix	trans	-85.3	-20.9	179.3	-71.8	179.3	177	-163.8	-6.8	114.5	K388 R389 I390 R394	K388-R392 VanDerWaalsContact CE-NH1 3.31Å; K388-R392 VanDerWaalsContact CE-NH2 3.26Å; K388-R392 WeakPolarHBondContact O-CB 3.35Å; K388-R392 VanDerWaalsContact O-CG 3.27Å; K388-R392 WeakPolarHBondContact O-CG 3.36Å; K388-R392 PolarHBondContact O-N 2.91Å; R389-R392 PolarHBondContact O-N 3.5Å; I390-R392 VanDerWaalsContact C-N 3.32Å; I390-R392 PolarHBondContact O-N 3.26Å; R392-R394 PolarHBondContact O-N 3.16Å
393	H	93.2	Very high	95.1	Very high	134 Å²	134	90.2 Å²	90.2	62%	0.62	42%	0.419	S	S	*	.			trans	-66.8	118.5	-175.6	179.8	-89.8	0	0	0	111.1	R389 I390	R389-H393 WeakPolarHBondContact O-CB 3.26Å; R389-H393 PolarHBondContact O-N 2.93Å; R389-H393 VanDerWaalsContact O-N 3.08Å; I390-H393 PolarHBondContact O-N 3.49Å
394	R	92.6	Very high	95.1	Very high	57 Å²	57	87.2 Å²	87.2	22%	0.215	41%	0.405	C	S	.	.			trans	-127.6	139.7	171.4	-65.8	-63.7	175.8	-66	-22.5	109.4	R52 R317 E318 V319 A391 R392 L396	R52-R394 VanDerWaalsContact NH1-NH1 3.18Å; R317-R394 PolarHBondContact O-NH2 3.08Å; E318-R394 IonicContact OE1-CZ 2.82Å; E318-R394 IonicContact OE1-NE 2.78Å; E318-R394 PolarHBondContact OE1-NE 3.08Å; E318-R394 IonicContact OE1-NH2 3.49Å; E318-R394 PolarHBondContact OE1-NH2 3.28Å; E318-R394 IonicContact OE2-CZ 2.58Å; E318-R394 IonicContact OE2-NE 3.37Å; E318-R394 PolarHBondContact OE2-NE 2.84Å; E318-R394 IonicContact OE2-NH2 3.64Å; V319-R394 HydrophobicContact CG1-CB 3.85Å; V319-R394 HydrophobicContact CG1-CG 4.06Å; A391-R394 PolarHBondContact O-NH1 3Å; A391-R394 PolarHBondContact O-NH2 3.41Å; A391-R394 VanDerWaalsContact O-NH2 3.1Å; R392-R394 PolarHBondContact O-N 3.16Å; R394-L396 PolarHBondContact O-N 3.29Å
395	H	93.1	Very high	95	Very high	144 Å²	144	86.5 Å²	86.5	67%	0.667	40%	0.404	S	S	*	.			trans	-75.8	119	171.4	-178.2	70.7	0	0	0	108.8	H321	H321-H395 PolarHBondContact NE2-O 3.43Å
396	L	94.6	Very high	95	Very high	27 Å²	27	87.1 Å²	87.1	14%	0.141	40%	0.398	C	S	.	.			trans	-106.4	147.3	173.5	-70.2	170.6	0	0	0	109.3	V319 R394 I400 K404	V319-L396 HydrophobicContact CB-CD2 4.47Å; V319-L396 HydrophobicContact CG1-CD2 3.79Å; V319-L396 HydrophobicContact CG2-CD2 3.95Å; R394-L396 PolarHBondContact O-N 3.29Å; L396-I400 HydrophobicContact CD2-CG2 4.35Å; L396-K404 HydrophobicContact CD1-CD 4.3Å
397	P	95.4	Very high	94.9	Very high	37 Å²	37	84.6 Å²	84.6	24%	0.24	39%	0.387	C	S	.	.			trans	-56.2	145.1	168.8	-25.8	37.9	0	0	0	110.8	H321 V399 I400 Y401	H321-P397 HydrophobicContact CB-CG 4.28Å; H321-P397 VanDerWaalsContact ND1-CG 3.31Å; H321-P397 WeakPolarHBondContact ND1-CG 3.14Å; P397-V399 VanDerWaalsContact C-N 3.25Å; P397-V399 PolarHBondContact O-N 2.94Å; P397-I400 HydrophobicContact CB-CD1 4.1Å; P397-I400 HydrophobicContact CG-CD1 3.8Å; P397-I400 PolarHBondContact O-N 3.08Å; P397-I400 VanDerWaalsContact O-N 3.16Å; P397-Y401 PolarHBondContact O-N 3.49Å
398	K	95.2	Very high	94.8	Very high	170 Å²	170	90.3 Å²	90.3	74%	0.739	41%	0.412	S	S	*	.	H	α-helix	trans	-52.8	-44	-176.1	-69.7	-175.9	177.6	-178.7	0	112.3	I400 Y401 H402	K398-I400 PolarHBondContact O-N 3.38Å; K398-Y401 PolarHBondContact O-N 3.41Å; K398-H402 PolarHBondContact O-CD2 3.34Å; K398-H402 PolarHBondContact O-N 2.72Å
399	V	94.4	Very high	94.8	Very high	96 Å²	96	91.2 Å²	91.2	58%	0.582	42%	0.424	S	S	*	.	H	α-helix	trans	-57.1	-53.3	180	-177.9	0	0	0	0	111.1	P397 Y401 H402 Q403	P397-V399 VanDerWaalsContact C-N 3.25Å; P397-V399 PolarHBondContact O-N 2.94Å; V399-Y401 VanDerWaalsContact C-N 3.32Å; V399-Y401 PolarHBondContact O-N 3.2Å; V399-H402 PolarHBondContact O-N 3.38Å; V399-Q403 WeakPolarHBondContact O-CG 3.45Å; V399-Q403 PolarHBondContact O-N 2.82Å
400	I	95	Very high	94.7	Very high	11 Å²	11	87.3 Å²	87.3	6%	0.056	42%	0.415	C	S	.	.	H	α-helix	trans	-64.2	-39.2	179.8	-66	158.6	0	0	0	110.9	V282 D303 T305 L396 P397 K398 K404	V282-I400 HydrophobicContact CG2-CG2 3.99Å; D303-I400 WeakPolarHBondContact O-CD1 3.28Å; T305-I400 HydrophobicContact CG2-CD1 3.4Å; T305-I400 VanDerWaalsContact CG2-CD1 3.4Å; L396-I400 HydrophobicContact CD2-CG2 4.35Å; P397-I400 HydrophobicContact CB-CD1 4.1Å; P397-I400 HydrophobicContact CG-CD1 3.8Å; P397-I400 PolarHBondContact O-N 3.08Å; P397-I400 VanDerWaalsContact O-N 3.16Å; K398-I400 PolarHBondContact O-N 3.38Å; I400-K404 WeakPolarHBondContact O-CB 3.37Å; I400-K404 PolarHBondContact O-N 3.46Å
401	Y	95.1	Very high	94.5	Very high	122 Å²	122	89.4 Å²	89.4	48%	0.478	42%	0.422	S	S	.	.	H	α-helix	trans	-61.9	-45.3	177.2	179.7	-100.1	0	0	0	112.2	P397 K398 V399 K404 N405	P397-Y401 PolarHBondContact O-N 3.49Å; K398-Y401 PolarHBondContact O-N 3.41Å; V399-Y401 VanDerWaalsContact C-N 3.32Å; V399-Y401 PolarHBondContact O-N 3.2Å; Y401-K404 PolarHBondContact O-N 3.49Å; Y401-N405 WeakPolarHBondContact CE1-ND2 3.35Å; Y401-N405 VanDerWaalsContact CZ-ND2 3.34Å; Y401-N405 VanDerWaalsContact O-CG 3.32Å; Y401-N405 PolarHBondContact O-N 2.99Å; Y401-N405 VanDerWaalsContact O-N 3.1Å; Y401-N405 PolarHBondContact O-ND2 2.93Å
402	H	96.4	Very high	94.5	Very high	116 Å²	116	93 Å²	93	54%	0.537	43%	0.434	S	S	.	.	H	α-helix	trans	-65.7	-47.9	177.9	-70.4	-58.2	0	0	0	111.9	K398 V399 K404 N405 E406	K398-H402 PolarHBondContact O-CD2 3.34Å; K398-H402 PolarHBondContact O-N 2.72Å; V399-H402 PolarHBondContact O-N 3.38Å; H402-K404 VanDerWaalsContact C-N 3.32Å; H402-K404 PolarHBondContact O-N 3.08Å; H402-N405 WeakPolarHBondContact O-CB 3.41Å; H402-N405 PolarHBondContact O-N 3.41Å; H402-N405 VanDerWaalsContact O-N 3.1Å; H402-E406 PolarHBondContact O-N 2.83Å
403	Q	95.9	Very high	94.7	Very high	81 Å²	81	87.5 Å²	87.5	38%	0.379	43%	0.425	S	S	.	.	H	α-helix	trans	-62.1	-38.4	177.5	-70.3	175.5	-31	0	0	112.1	V282 V399 N405 E406 L407	V282-Q403 HydrophobicContact CG1-CB 3.32Å; V282-Q403 HydrophobicContact CG1-CG 4.2Å; V399-Q403 WeakPolarHBondContact O-CG 3.45Å; V399-Q403 PolarHBondContact O-N 2.82Å; Q403-N405 VanDerWaalsContact C-N 3.33Å; Q403-N405 PolarHBondContact O-N 3.21Å; Q403-E406 PolarHBondContact O-N 3.09Å; Q403-L407 WeakPolarHBondContact O-CB 3.39Å; Q403-L407 WeakPolarHBondContact O-CG 3.38Å; Q403-L407 PolarHBondContact O-N 3.41Å
404	K	94.9	Very high	94.7	Very high	74 Å²	74	89.4 Å²	89.4	32%	0.322	43%	0.427	S	S	.	.	H	α-helix	trans	-61.4	-40.9	173.5	178.8	170.1	177.4	161.9	0	112.1	D280 V282 L396 I400 Y401 H402 K408	D280-K404 IonicContact OD1-NZ 2.66Å; D280-K404 PolarHBondContact OD1-NZ 2.98Å; V282-K404 HydrophobicContact CG2-CB 4.04Å; L396-K404 HydrophobicContact CD1-CD 4.3Å; I400-K404 WeakPolarHBondContact O-CB 3.37Å; I400-K404 PolarHBondContact O-N 3.46Å; Y401-K404 PolarHBondContact O-N 3.49Å; H402-K404 VanDerWaalsContact C-N 3.32Å; H402-K404 PolarHBondContact O-N 3.08Å; K404-K408 WeakPolarHBondContact O-CB 3.33Å; K404-K408 PolarHBondContact O-N 3.48Å
405	N	95.5	Very high	94.6	Very high	60 Å²	60	92.8 Å²	92.8	32%	0.321	44%	0.439	S	S	.	.	H	α-helix	trans	-67.6	-41.6	176.7	-71.1	-25.4	0	0	0	111.5	Y401 H402 Q403 K408 V409	Y401-N405 WeakPolarHBondContact CE1-ND2 3.35Å; Y401-N405 VanDerWaalsContact CZ-ND2 3.34Å; Y401-N405 VanDerWaalsContact O-CG 3.32Å; Y401-N405 PolarHBondContact O-N 2.99Å; Y401-N405 VanDerWaalsContact O-N 3.1Å; Y401-N405 PolarHBondContact O-ND2 2.93Å; H402-N405 WeakPolarHBondContact O-CB 3.41Å; H402-N405 PolarHBondContact O-N 3.41Å; H402-N405 VanDerWaalsContact O-N 3.1Å; Q403-N405 VanDerWaalsContact C-N 3.33Å; Q403-N405 PolarHBondContact O-N 3.21Å; N405-K408 WeakPolarHBondContact O-CB 3.41Å; N405-K408 PolarHBondContact O-N 3.06Å; N405-V409 WeakPolarHBondContact O-CG2 3.15Å; N405-V409 PolarHBondContact O-N 3.02Å
406	E	96	Very high	94.7	Very high	110 Å²	110	93.6 Å²	93.6	51%	0.514	44%	0.436	S	S	.	.	H	α-helix	trans	-60.1	-49.7	175	-176.3	178.4	-174.7	0	0	111.5	H402 Q403 K408 V409 M410	H402-E406 PolarHBondContact O-N 2.83Å; Q403-E406 PolarHBondContact O-N 3.09Å; E406-K408 PolarHBondContact O-N 2.88Å; E406-V409 PolarHBondContact O-N 2.77Å; E406-V409 VanDerWaalsContact O-N 3.09Å; E406-M410 HydrophobicContact CG-CE 3.65Å; E406-M410 HydrophobicContact CG-SD 4.3Å; E406-M410 WeakPolarHBondContact O-CG 3.29Å; E406-M410 PolarHBondContact O-N 3.32Å; E406-M410 WeakPolarHBondContact OE1-CE 3.49Å
407	L	94.2	Very high	94.6	Very high	40 Å²	40	99.6 Å²	99.6	21%	0.209	46%	0.461	C	S	.	.	H	α-helix	trans	-58.2	-37.1	175.2	-74.7	174.8	0	0	0	112.2	Y261 V282 Q403 K411	Y261-L407 HydrophobicContact CD2-CD1 4.25Å; Y261-L407 HydrophobicContact CD2-CD2 4.47Å; Y261-L407 HydrophobicContact CE2-CD1 4.44Å; Y261-L407 HydrophobicContact CE2-CD2 4.1Å; V282-L407 HydrophobicContact CB-CD1 4.24Å; V282-L407 HydrophobicContact CG1-CD1 3.92Å; V282-L407 HydrophobicContact CG2-CD1 4.4Å; Q403-L407 WeakPolarHBondContact O-CB 3.39Å; Q403-L407 WeakPolarHBondContact O-CG 3.38Å; Q403-L407 PolarHBondContact O-N 3.41Å; L407-K411 WeakPolarHBondContact O-CB 3.39Å; L407-K411 VanDerWaalsContact O-CG 3.28Å; L407-K411 WeakPolarHBondContact O-CG 3.36Å; L407-K411 PolarHBondContact O-N 3.43Å
408	K	94	Very high	94.4	Very high	123 Å²	123	100.5 Å²	100.5	54%	0.535	46%	0.463	S	S	.	.	H	α-helix	trans	-65.4	-46.2	175.4	-174.2	-178.4	172.4	-170	0	111.3	K404 N405 E406 K411 E412	K404-K408 WeakPolarHBondContact O-CB 3.33Å; K404-K408 PolarHBondContact O-N 3.48Å; N405-K408 WeakPolarHBondContact O-CB 3.41Å; N405-K408 PolarHBondContact O-N 3.06Å; E406-K408 PolarHBondContact O-N 2.88Å; K408-K411 PolarHBondContact O-N 2.92Å; K408-E412 WeakPolarHBondContact CE-OE1 3.13Å; K408-E412 WeakPolarHBondContact O-CB 3.12Å; K408-E412 WeakPolarHBondContact O-CG 3.11Å; K408-E412 PolarHBondContact O-N 3.4Å
409	V	96.8	Very high	94.2	Very high	96 Å²	96	98.8 Å²	98.8	58%	0.582	45%	0.451	S	S	*	.	H	α-helix	trans	-61	-44.7	176	172.4	0	0	0	0	110.7	N405 E406 K411 E412 A413	N405-V409 WeakPolarHBondContact O-CG2 3.15Å; N405-V409 PolarHBondContact O-N 3.02Å; E406-V409 PolarHBondContact O-N 2.77Å; E406-V409 VanDerWaalsContact O-N 3.09Å; V409-K411 PolarHBondContact O-N 3.31Å; V409-E412 PolarHBondContact O-N 3.44Å; V409-A413 WeakPolarHBondContact O-CB 3.42Å; V409-A413 PolarHBondContact O-N 3.42Å
410	M	95.1	Very high	94.2	Very high	99 Å²	99	97.1 Å²	97.1	49%	0.488	44%	0.439	S	S	.	.	H	α-helix	trans	-60.5	-44.6	176	-70.4	177.9	176.5	0	0	112.2	E406 A413 R414	E406-M410 HydrophobicContact CG-CE 3.65Å; E406-M410 HydrophobicContact CG-SD 4.3Å; E406-M410 WeakPolarHBondContact O-CG 3.29Å; E406-M410 PolarHBondContact O-N 3.32Å; E406-M410 WeakPolarHBondContact OE1-CE 3.49Å; M410-A413 PolarHBondContact O-N 2.84Å; M410-R414 WeakPolarHBondContact O-CB 3.18Å; M410-R414 PolarHBondContact O-N 3.49Å
411	K	91.3	Very high	94	Very high	81 Å²	81	100.1 Å²	100.1	35%	0.352	46%	0.458	S	S	.	.	H	α-helix	trans	-64.1	-43.3	176.8	-76.7	178.7	-178.1	-176.8	0	111.7	L407 K408 V409 R414 R415	L407-K411 WeakPolarHBondContact O-CB 3.39Å; L407-K411 VanDerWaalsContact O-CG 3.28Å; L407-K411 WeakPolarHBondContact O-CG 3.36Å; L407-K411 PolarHBondContact O-N 3.43Å; K408-K411 PolarHBondContact O-N 2.92Å; V409-K411 PolarHBondContact O-N 3.31Å; K411-R414 PolarHBondContact O-N 3.22Å; K411-R415 WeakPolarHBondContact O-CB 3.43Å; K411-R415 WeakPolarHBondContact O-CG 3.3Å; K411-R415 PolarHBondContact O-N 3.45Å
412	E	94.5	Very high	93.8	Very high	104 Å²	104	98 Å²	98	49%	0.486	45%	0.449	S	S	.	.	H	α-helix	trans	-65	-41	176.6	-74.5	177.1	-171.8	0	0	112	K408 V409 R415 R416	K408-E412 WeakPolarHBondContact CE-OE1 3.13Å; K408-E412 WeakPolarHBondContact O-CB 3.12Å; K408-E412 WeakPolarHBondContact O-CG 3.11Å; K408-E412 PolarHBondContact O-N 3.4Å; V409-E412 PolarHBondContact O-N 3.44Å; E412-R415 PolarHBondContact O-N 3.1Å; E412-R416 WeakPolarHBondContact O-CB 3.44Å; E412-R416 PolarHBondContact O-N 3.39Å
413	A	96.3	Very high	93.5	Very high	55 Å²	55	99.5 Å²	99.5	46%	0.455	45%	0.454	S	S	.	.	H	α-helix	trans	-62.4	-44.5	174.5	0	0	0	0	0	111.8	V409 M410 R416 K417	V409-A413 WeakPolarHBondContact O-CB 3.42Å; V409-A413 PolarHBondContact O-N 3.42Å; M410-A413 PolarHBondContact O-N 2.84Å; A413-R416 PolarHBondContact O-N 2.58Å; A413-K417 WeakPolarHBondContact O-CB 3.28Å; A413-K417 PolarHBondContact O-N 3.44Å
414	R	92.4	Very high	93.4	Very high	175 Å²	175	103.4 Å²	103.4	66%	0.66	47%	0.472	S	S	*	.	H	α-helix	trans	-62.3	-46.9	175.8	-168.1	-178.3	-65.5	177.1	-0.8	111.6	M410 K411 R416 K417 E418	M410-R414 WeakPolarHBondContact O-CB 3.18Å; M410-R414 PolarHBondContact O-N 3.49Å; K411-R414 PolarHBondContact O-N 3.22Å; R414-R416 VanDerWaalsContact C-N 3.33Å; R414-R416 PolarHBondContact O-N 3.2Å; R414-K417 WeakPolarHBondContact O-CB 3.47Å; R414-K417 PolarHBondContact O-N 2.88Å; R414-E418 PolarHBondContact O-N 3.05Å
415	R	91.1	Very high	93.3	Very high	128 Å²	128	101.5 Å²	101.5	48%	0.483	47%	0.468	S	S	.	.	H	α-helix	trans	-60.9	-40.5	175.5	-74.6	179.3	179.7	169.1	0.8	112	K411 E412 R419 E435	K411-R415 WeakPolarHBondContact O-CB 3.43Å; K411-R415 WeakPolarHBondContact O-CG 3.3Å; K411-R415 PolarHBondContact O-N 3.45Å; E412-R415 PolarHBondContact O-N 3.1Å; R415-R419 WeakPolarHBondContact O-CB 3.14Å; R415-R419 PolarHBondContact O-N 2.84Å; R415-E435 IonicContact CZ-OE1 2.79Å; R415-E435 IonicContact NE-OE1 2.98Å; R415-E435 PolarHBondContact NE-OE1 3.33Å; R415-E435 IonicContact NH2-OE1 2.67Å; R415-E435 PolarHBondContact NH2-OE1 3.26Å; R415-E435 IonicContact NH2-OE2 3.35Å; R415-E435 PolarHBondContact NH2-OE2 2.65Å
416	R	93.8	Very high	93.1	Very high	160 Å²	160	106.9 Å²	106.9	60%	0.604	49%	0.488	S	S	*	.	H	α-helix	trans	-63.1	-44.1	174.7	177.6	176.8	175.3	174.2	-1.9	111.3	E412 A413 R414 R419 N420	E412-R416 WeakPolarHBondContact O-CB 3.44Å; E412-R416 PolarHBondContact O-N 3.39Å; A413-R416 PolarHBondContact O-N 2.58Å; R414-R416 VanDerWaalsContact C-N 3.33Å; R414-R416 PolarHBondContact O-N 3.2Å; R416-R419 PolarHBondContact O-N 2.93Å; R416-N420 WeakPolarHBondContact O-CB 3.5Å; R416-N420 VanDerWaalsContact O-CG 3.26Å; R416-N420 PolarHBondContact O-N 2.86Å; R416-N420 PolarHBondContact O-OD1 2.93Å
417	K	94.2	Very high	92.6	Very high	153 Å²	153	108.2 Å²	108.2	67%	0.665	51%	0.507	S	S	*	.	H	α-helix	trans	-60.8	-50.4	176.7	-173.9	177.8	179.5	179.3	0	111.1	A413 R414 R419 N420 V421	A413-K417 WeakPolarHBondContact O-CB 3.28Å; A413-K417 PolarHBondContact O-N 3.44Å; R414-K417 WeakPolarHBondContact O-CB 3.47Å; R414-K417 PolarHBondContact O-N 2.88Å; K417-R419 VanDerWaalsContact C-N 3.32Å; K417-R419 PolarHBondContact O-N 3Å; K417-N420 PolarHBondContact O-N 3.04Å; K417-N420 VanDerWaalsContact O-N 3.15Å; K417-V421 WeakPolarHBondContact O-CG2 3.46Å; K417-V421 PolarHBondContact O-N 3.4Å
418	E	90.6	Very high	92.1	Very high	57 Å²	57	110.2 Å²	110.2	27%	0.266	54%	0.536	S	S	.	.	H	α-helix	trans	-57.5	-44	176.6	-72.8	-178.5	-160	0	0	111.9	R414 N420 V421 R422 K438	R414-E418 PolarHBondContact O-N 3.05Å; E418-N420 PolarHBondContact O-N 3.2Å; E418-V421 PolarHBondContact O-N 3.45Å; E418-R422 WeakPolarHBondContact O-CG 3.43Å; E418-R422 PolarHBondContact O-N 2.77Å; E418-R422 IonicContact OE2-NH2 3.83Å; E418-R422 PolarHBondContact OE2-NH2 3.18Å; E418-K438 IonicContact OE1-NZ 2.67Å; E418-K438 PolarHBondContact OE1-NZ 3.14Å; E418-K438 IonicContact OE2-NZ 2.87Å; E418-K438 PolarHBondContact OE2-NZ 3.03Å
419	R	90.7	Very high	91.7	Very high	133 Å²	133	107.7 Å²	107.7	50%	0.502	53%	0.534	S	S	.	.	H	α-helix	trans	-63.3	-41	177.1	-177	-178.1	63.4	-151.7	-1.1	112.1	R415 R416 K417 R422 K423	R415-R419 WeakPolarHBondContact O-CB 3.14Å; R415-R419 PolarHBondContact O-N 2.84Å; R416-R419 PolarHBondContact O-N 2.93Å; K417-R419 VanDerWaalsContact C-N 3.32Å; K417-R419 PolarHBondContact O-N 3Å; R419-R422 PolarHBondContact O-N 3.16Å; R419-K423 WeakPolarHBondContact O-CG 3.48Å; R419-K423 PolarHBondContact O-N 3.42Å
420	N	93.6	Very high	91.3	Very high	61 Å²	61	105.8 Å²	105.8	33%	0.326	52%	0.523	S	S	.	.	H	α-helix	trans	-65.2	-44.9	177.3	-73.5	1.2	0	0	0	111	R416 K417 E418 R422 K423 H424	R416-N420 WeakPolarHBondContact O-CB 3.5Å; R416-N420 VanDerWaalsContact O-CG 3.26Å; R416-N420 PolarHBondContact O-N 2.86Å; R416-N420 PolarHBondContact O-OD1 2.93Å; K417-N420 PolarHBondContact O-N 3.04Å; K417-N420 VanDerWaalsContact O-N 3.15Å; E418-N420 PolarHBondContact O-N 3.2Å; N420-R422 VanDerWaalsContact C-N 3.31Å; N420-R422 PolarHBondContact O-N 2.83Å; N420-K423 PolarHBondContact O-N 3.06Å; N420-K423 VanDerWaalsContact O-N 3.14Å; N420-H424 PolarHBondContact O-CD2 3.22Å; N420-H424 PolarHBondContact O-N 3.35Å; N420-H424 VanDerWaalsContact O-N 3.07Å
421	V	92.7	Very high	90.8	Very high	74 Å²	74	105.5 Å²	105.5	45%	0.448	53%	0.528	S	S	.	.	H	α-helix	trans	-56.3	-46.8	175.4	172.4	0	0	0	0	110.7	K417 E418 K423 H424 S425 V430	K417-V421 WeakPolarHBondContact O-CG2 3.46Å; K417-V421 PolarHBondContact O-N 3.4Å; E418-V421 PolarHBondContact O-N 3.45Å; V421-K423 VanDerWaalsContact C-N 3.34Å; V421-K423 PolarHBondContact O-N 3.02Å; V421-H424 PolarHBondContact O-N 3.48Å; V421-S425 VanDerWaalsContact O-CB 3.28Å; V421-S425 WeakPolarHBondContact O-CB 3.48Å; V421-S425 PolarHBondContact O-N 3.13Å; V421-S425 PolarHBondContact O-OG 3.13Å; V421-V430 HydrophobicContact CG1-CG2 4.34Å
422	R	90.1	Very high	90.4	Very high	77 Å²	77	107.1 Å²	107.1	29%	0.291	55%	0.545	S	S	.	.	H	α-helix	trans	-63	-36.2	177.5	-69.4	177.8	-146.9	175.2	4.2	113.7	E418 R419 N420 H424 S425 V430	E418-R422 WeakPolarHBondContact O-CG 3.43Å; E418-R422 PolarHBondContact O-N 2.77Å; E418-R422 IonicContact OE2-NH2 3.83Å; E418-R422 PolarHBondContact OE2-NH2 3.18Å; R419-R422 PolarHBondContact O-N 3.16Å; N420-R422 VanDerWaalsContact C-N 3.31Å; N420-R422 PolarHBondContact O-N 2.83Å; R422-H424 VanDerWaalsContact C-N 3.33Å; R422-S425 PolarHBondContact O-OG 3Å; R422-V430 HydrophobicContact CG-CB 3.93Å; R422-V430 HydrophobicContact CG-CG1 3.61Å
423	K	90.9	Very high	89.8	Confident	148 Å²	148	105.1 Å²	105.1	64%	0.643	54%	0.539	S	S	*	.	H	α-helix	trans	-69.7	-31.7	178.4	-78.2	-178.4	175.1	-163.9	0	112.6	R419 N420 V421	R419-K423 WeakPolarHBondContact O-CG 3.48Å; R419-K423 PolarHBondContact O-N 3.42Å; N420-K423 PolarHBondContact O-N 3.06Å; N420-K423 VanDerWaalsContact O-N 3.14Å; V421-K423 VanDerWaalsContact C-N 3.34Å; V421-K423 PolarHBondContact O-N 3.02Å
424	H	93.1	Very high	89.2	Confident	164 Å²	164	104.6 Å²	104.6	76%	0.759	53%	0.532	S	S	*	.	H	α-helix	trans	-99	-4.5	-177.8	-63.5	-62.4	0	0	0	113.7	N420 V421 R422	N420-H424 PolarHBondContact O-CD2 3.22Å; N420-H424 PolarHBondContact O-N 3.35Å; N420-H424 VanDerWaalsContact O-N 3.07Å; V421-H424 PolarHBondContact O-N 3.48Å; R422-H424 VanDerWaalsContact C-N 3.33Å
425	S	92.4	Very high	88.6	Confident	33 Å²	33	100.3 Å²	100.3	23%	0.231	52%	0.52	C	S	.	.	S	Bend	trans	-90.1	160.1	174.3	70.2	0	0	0	0	111.3	V421 R422 S429	V421-S425 VanDerWaalsContact O-CB 3.28Å; V421-S425 WeakPolarHBondContact O-CB 3.48Å; V421-S425 PolarHBondContact O-N 3.13Å; V421-S425 PolarHBondContact O-OG 3.13Å; R422-S425 PolarHBondContact O-OG 3Å; S425-S429 VanDerWaalsContact CB-OG 3.24Å; S425-S429 WeakPolarHBondContact CB-OG 3.49Å; S425-S429 PolarHBondContact OG-OG 3.15Å
426	K	91.6	Very high	88.2	Confident	174 Å²	174	98.5 Å²	98.5	76%	0.757	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-57.1	141.8	174.7	-67.6	-177.4	-179.7	-179.7	0	110	G428 S429	K426-G428 PolarHBondContact O-N 2.79Å; K426-S429 PolarHBondContact O-N 3.36Å; K426-S429 PolarHBondContact O-OG 3.46Å
427	P	85.9	Confident	87.6	Confident	138 Å²	138	94.6 Å²	94.6	90%	0.896	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	126.3	176.2	-27.1	34.8	0	0	0	111.1
428	G	82.9	Confident	87	Confident	81 Å²	81	90.8 Å²	90.8	84%	0.835	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.7	-9.3	179.9	0	0	0	0	0	116.5	K426 V430	K426-G428 PolarHBondContact O-N 2.79Å; G428-V430 PolarHBondContact O-N 3.07Å
429	S	87	Confident	86.7	Confident	70 Å²	70	90 Å²	90	49%	0.49	48%	0.484	S	S	.	.	S	Bend	trans	-74.9	-23.6	-177.5	70	0	0	0	0	114.3	S425 K426	S425-S429 VanDerWaalsContact CB-OG 3.24Å; S425-S429 WeakPolarHBondContact CB-OG 3.49Å; S425-S429 PolarHBondContact OG-OG 3.15Å; K426-S429 PolarHBondContact O-N 3.36Å; K426-S429 PolarHBondContact O-OG 3.46Å
430	V	86.5	Confident	86.5	Confident	57 Å²	57	84.7 Å²	84.7	35%	0.345	47%	0.466	S	S	.	.	S	Bend	trans	-123.4	105.2	179.1	-178.7	0	0	0	0	109.4	V421 R422 G428	V421-V430 HydrophobicContact CG1-CG2 4.34Å; R422-V430 HydrophobicContact CG-CB 3.93Å; R422-V430 HydrophobicContact CG-CG1 3.61Å; G428-V430 PolarHBondContact O-N 3.07Å
431	P	84.4	Confident	86.1	Confident	92 Å²	92	86 Å²	86	60%	0.597	48%	0.476	S	S	*	.			trans	-71.4	154	-177.4	28.3	-33.9	0	0	0	112.4	V433	P431-V433 HydrophobicContact CG-CG2 4.47Å; P431-V433 PolarHBondContact O-N 3.17Å
432	V	83.2	Confident	85.9	Confident	116 Å²	116	84.8 Å²	84.8	70%	0.703	47%	0.471	S	S	*	.			trans	-83.3	93	172.2	-177.4	0	0	0	0	108.3
433	V	82.8	Confident	85.7	Confident	61 Å²	61	83.1 Å²	83.1	37%	0.37	47%	0.469	S	S	.	.			trans	-78.9	129.5	173.2	-171.7	0	0	0	0	109.2	P431 E437 K438	P431-V433 HydrophobicContact CG-CG2 4.47Å; P431-V433 PolarHBondContact O-N 3.17Å; V433-E437 HydrophobicContact CG1-CB 3.7Å; V433-K438 HydrophobicContact CB-CG 4.21Å; V433-K438 HydrophobicContact CG1-CG 3.76Å
434	S	83.6	Confident	85.5	Confident	44 Å²	44	78.8 Å²	78.8	31%	0.308	46%	0.455	S	S	.	.			trans	-65.8	150.6	176.9	73.5	0	0	0	0	110.6	K436 E437 K438	S434-K436 PolarHBondContact O-N 2.78Å; S434-K436 VanDerWaalsContact O-N 3.08Å; S434-E437 WeakPolarHBondContact CB-OE2 3.35Å; S434-E437 PolarHBondContact N-OE2 3.05Å; S434-E437 PolarHBondContact O-N 2.83Å; S434-E437 WeakPolarHBondContact OG-CG 3.26Å; S434-E437 PolarHBondContact OG-N 2.92Å; S434-E437 PolarHBondContact OG-OE2 3.39Å; S434-K438 WeakPolarHBondContact O-CG 3.31Å; S434-K438 PolarHBondContact O-N 3.34Å
435	E	80.2	Confident	84.7	Confident	86 Å²	86	79.9 Å²	79.9	40%	0.402	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-18.8	177.8	-67	-167.6	153.5	0	0	112.9	R415 H439	R415-E435 IonicContact CZ-OE1 2.79Å; R415-E435 IonicContact NE-OE1 2.98Å; R415-E435 PolarHBondContact NE-OE1 3.33Å; R415-E435 IonicContact NH2-OE1 2.67Å; R415-E435 PolarHBondContact NH2-OE1 3.26Å; R415-E435 IonicContact NH2-OE2 3.35Å; R415-E435 PolarHBondContact NH2-OE2 2.65Å; E435-H439 PolarHBondContact O-CD2 3.48Å
436	K	81.6	Confident	84.3	Confident	90 Å²	90	82.3 Å²	82.3	39%	0.391	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-44.7	176.5	-66.1	179.4	172.4	-162.9	0	111.7	P274 V275 V277 S434	P274-K436 WeakPolarHBondContact CD-O 2.99Å; P274-K436 HydrophobicContact CG-CB 3.98Å; P274-K436 WeakPolarHBondContact CG-O 3.22Å; P274-K436 WeakPolarHBondContact O-CD 3.23Å; V275-K436 WeakPolarHBondContact O-CE 3.32Å; V275-K436 PolarHBondContact O-NZ 2.96Å; V277-K436 HydrophobicContact CG2-CG 4.17Å; S434-K436 PolarHBondContact O-N 2.78Å; S434-K436 VanDerWaalsContact O-N 3.08Å
437	E	80.9	Confident	84	Confident	78 Å²	78	77.4 Å²	77.4	36%	0.364	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-72.2	-29	-178.2	-77.4	152.7	180	0	0	112.8	N273 V433 S434 H439 V440	N273-E437 PolarHBondContact ND2-OE1 3.23Å; N273-E437 WeakPolarHBondContact OD1-CG 3.1Å; V433-E437 HydrophobicContact CG1-CB 3.7Å; S434-E437 WeakPolarHBondContact CB-OE2 3.35Å; S434-E437 PolarHBondContact N-OE2 3.05Å; S434-E437 PolarHBondContact O-N 2.83Å; S434-E437 WeakPolarHBondContact OG-CG 3.26Å; S434-E437 PolarHBondContact OG-N 2.92Å; S434-E437 PolarHBondContact OG-OE2 3.39Å; E437-H439 PolarHBondContact O-N 3.2Å; E437-V440 PolarHBondContact O-N 3.16Å
438	K	82.9	Confident	83.9	Confident	73 Å²	73	74.1 Å²	74.1	32%	0.317	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-57.9	-20.7	-175.6	-76.4	-176.6	179.6	-169.5	0	114.9	E418 V433 S434	E418-K438 IonicContact OE1-NZ 2.67Å; E418-K438 PolarHBondContact OE1-NZ 3.14Å; E418-K438 IonicContact OE2-NZ 2.87Å; E418-K438 PolarHBondContact OE2-NZ 3.03Å; V433-K438 HydrophobicContact CB-CG 4.21Å; V433-K438 HydrophobicContact CG1-CG 3.76Å; S434-K438 WeakPolarHBondContact O-CG 3.31Å; S434-K438 PolarHBondContact O-N 3.34Å
439	H	84.4	Confident	83.9	Confident	40 Å²	40	73.6 Å²	73.6	19%	0.185	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-100.4	-14.3	-172.1	-64.5	-68.5	0	0	0	113.9	M237 T238 D260 Y264 E435 E437	M237-H439 WeakPolarHBondContact CA-O 3.46Å; M237-H439 HydrophobicContact CE-CB 4.19Å; T238-H439 PolarHBondContact N-O 3.41Å; D260-H439 IonicContact OD2-ND1 2.71Å; Y264-H439 HydrophobicContact CE1-CB 3.84Å; Y264-H439 AromaticContact CE1-CD2 3.69Å; Y264-H439 AromaticContact CE1-CG 3.76Å; Y264-H439 AromaticContact CZ-CG 3.78Å; Y264-H439 PolarHBondContact OH-CE1 3Å; Y264-H439 PolarHBondContact OH-ND1 2.83Å; Y264-H439 VanDerWaalsContact OH-ND1 3.15Å; E435-H439 PolarHBondContact O-CD2 3.48Å; E437-H439 PolarHBondContact O-N 3.2Å
440	V	85.8	Confident	83.7	Confident	22 Å²	22	73.9 Å²	73.9	13%	0.133	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	120.9	175.9	-179.3	0	0	0	0	108.1	V235 Y266 E272 E437 V443	V235-V440 HydrophobicContact CG1-CG1 3.99Å; Y266-V440 HydrophobicContact CE1-CG2 4.03Å; Y266-V440 VanDerWaalsContact OH-CG2 3.25Å; Y266-V440 WeakPolarHBondContact OH-CG2 3.31Å; E272-V440 WeakPolarHBondContact O-CB 3.09Å; E272-V440 WeakPolarHBondContact O-CG2 3.25Å; E437-V440 PolarHBondContact O-N 3.16Å; V440-V443 HydrophobicContact CG1-CG2 4.11Å
441	V	85.4	Confident	83.5	Confident	89 Å²	89	75 Å²	75	54%	0.539	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-50.6	-179.5	179.3	0	0	0	0	110.1	I236 T238	I236-V441 HydrophobicContact CG2-CB 4.35Å; I236-V441 WeakPolarHBondContact O-CB 3.42Å; I236-V441 PolarHBondContact O-N 3.44Å; T238-V441 HydrophobicContact CG2-CG2 4.15Å
442	S	87.6	Confident	83.5	Confident	48 Å²	48	73.8 Å²	73.8	34%	0.336	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	153.9	178	61.3	0	0	0	0	111.5	I236	I236-S442 PolarHBondContact N-O 2.66Å; I236-S442 PolarHBondContact O-N 3.48Å
443	V	86.3	Confident	83.5	Confident	42 Å²	42	70.5 Å²	70.5	26%	0.255	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	116.5	169.7	-178.4	0	0	0	0	107.5	K234 V235 L271 E272 V440	K234-V443 CarbonylContact O-C 3.53Å; K234-V443 WeakPolarHBondContact O-CA 3.48Å; V235-V443 HydrophobicContact CG1-CG2 4.35Å; V235-V443 HydrophobicContact CG2-CG1 4.49Å; V235-V443 HydrophobicContact CG2-CG2 4.38Å; L271-V443 HydrophobicContact CB-CG1 4.23Å; L271-V443 HydrophobicContact CB-CG2 4.23Å; E272-V443 HydrophobicContact CG-CG2 4.11Å; V440-V443 HydrophobicContact CG1-CG2 4.11Å
444	V	86.3	Confident	83.6	Confident	56 Å²	56	71.3 Å²	71.3	34%	0.339	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	123.6	172.7	-172.4	0	0	0	0	107.2	W194 K234	W194-V444 HydrophobicContact CZ2-CG1 3.92Å; K234-V444 HydrophobicContact CB-CB 4.25Å; K234-V444 PolarHBondContact N-O 3.27Å; K234-V444 PolarHBondContact O-N 3.47Å
445	K	77.6	Confident	83.6	Confident	188 Å²	188	73.8 Å²	73.8	82%	0.817	37%	0.371	S	S	*	.			trans	-88.1	0	176.5	-69.7	-177.5	-177.5	174.9	0	110.9	L232	L232-K445 VanDerWaalsContact O-OXT 3.11Å

Retrieved 445 of 445 residues in 87.2 ms (Link to these results)

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