A0A096N339_PAPAN Loading...

Stromelysin-1

AlphaFold DB , UniProt , Accession A0A096N339, Species PAPAN (Papio anubis, Olive baboon), Gene MMP3, Length 477 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	38.8	Very low	40.9	Very low	233 Å²	233	149.8 Å²	149.8	100%	1.148	81%	0.808	S	S	*	*				0	85.5	0	-69.2	155.8	60.1	0	0	105.7
2	K	37.3	Very low	40.6	Very low	202 Å²	202	147 Å²	147	88%	0.878	80%	0.799	S	S	*	*				58.8	122.5	99.5	-68.2	-171.9	-178.9	-176.6	0	111.4
3	S	37.5	Very low	40.6	Very low	108 Å²	108	142.7 Å²	142.7	76%	0.755	80%	0.795	S	S	*	*			cis	176.8	146.4	-15.1	24.4	0	0	0	0	105.2
4	L	41.1	Very low	40.2	Very low	143 Å²	143	140.5 Å²	140.5	75%	0.749	79%	0.787	S	S	*	*			trans	-47.2	156.1	167.9	-107.1	78.6	0	0	0	113.6	I6	L4-I6 HydrophobicContact CD2-CD1 3.77Å; L4-I6 HydrophobicContact CD2-CG1 3.8Å
5	P	53.3	Low	39.7	Very low	118 Å²	118	138.7 Å²	138.7	77%	0.766	79%	0.785	S	S	*	*				-143.2	141.5	83.1	34.1	-15	0	0	0	114
6	I	45.2	Very low	39.4	Very low	120 Å²	120	135.6 Å²	135.6	62%	0.615	78%	0.776	S	S	*	*				48.3	107.6	81.2	-59.9	166.2	0	0	0	113.9	L4 L8	L4-I6 HydrophobicContact CD2-CD1 3.77Å; L4-I6 HydrophobicContact CD2-CG1 3.8Å; I6-L8 HydrophobicContact CG2-CD1 3.92Å
7	L	36.8	Very low	39.2	Very low	178 Å²	178	132.8 Å²	132.8	93%	0.932	77%	0.773	S	S	*	*			trans	-137.6	120.2	146.1	-153.1	79.9	0	0	0	109.9
8	L	38.8	Very low	39.1	Very low	130 Å²	130	136.4 Å²	136.4	68%	0.681	77%	0.773	S	S	*	*			trans	-81.6	151.6	177.8	-109.2	79.6	0	0	0	111.3	I6	I6-L8 HydrophobicContact CG2-CD1 3.92Å
9	L	39.9	Very low	38.9	Very low	137 Å²	137	135.8 Å²	135.8	72%	0.717	78%	0.775	S	S	*	*			trans	56.4	123.6	149.7	-84.1	107.3	0	0	0	120.5
10	L	36	Very low	39.3	Very low	159 Å²	159	137.5 Å²	137.5	83%	0.832	78%	0.78	S	S	*	*				-167.2	120.9	99	-109.3	135.2	0	0	0	111.4	V12	L10-V12 PolarHBondContact O-N 3.49Å
11	C	45.1	Very low	39.6	Very low	120 Å²	120	136.8 Å²	136.8	81%	0.811	78%	0.775	S	S	*	*			trans	-67.5	119.9	167.2	-70.8	0	0	0	0	109.7
12	V	38	Very low	39.4	Very low	116 Å²	116	127.7 Å²	127.7	70%	0.703	74%	0.741	S	S	*	*			trans	-141.6	84.4	148.7	-171.3	0	0	0	0	107.3	L10 V14	L10-V12 PolarHBondContact O-N 3.49Å; V12-V14 HydrophobicContact CG1-CG2 3.78Å; V12-V14 PolarHBondContact O-N 3.43Å
13	A	39.7	Very low	39.4	Very low	91 Å²	91	120.5 Å²	120.5	75%	0.752	72%	0.724	S	S	*	*			trans	-72.2	101.8	156.5	0	0	0	0	0	106.1	C15	A13-C15 PolarHBondContact O-N 2.84Å
14	V	35.8	Very low	39.6	Very low	112 Å²	112	118.4 Å²	118.4	68%	0.679	71%	0.713	S	S	*	*			trans	-68.5	87.4	164.5	-179.5	0	0	0	0	106.1	V12 S16	V12-V14 HydrophobicContact CG1-CG2 3.78Å; V12-V14 PolarHBondContact O-N 3.43Å; V14-S16 VanDerWaalsContact C-N 3.28Å; V14-S16 PolarHBondContact O-N 3.08Å; V14-S16 VanDerWaalsContact O-N 3.1Å
15	C	32.7	Very low	39.5	Very low	113 Å²	113	120.9 Å²	120.9	76%	0.764	71%	0.713	S	S	*	*			trans	-69.3	97.4	156.2	-72.9	0	0	0	0	105.7	A13 A17	A13-C15 PolarHBondContact O-N 2.84Å; C15-A17 PolarHBondContact O-N 2.8Å
16	S	34.8	Very low	39.5	Very low	90 Å²	90	121 Å²	121	63%	0.629	71%	0.707	S	S	*	*			trans	-65	81.4	156.4	-51.5	0	0	0	0	106.7	V14 Y18	V14-S16 VanDerWaalsContact C-N 3.28Å; V14-S16 PolarHBondContact O-N 3.08Å; V14-S16 VanDerWaalsContact O-N 3.1Å; S16-Y18 PolarHBondContact O-N 3.11Å
17	A	34.9	Very low	39.8	Very low	88 Å²	88	121.5 Å²	121.5	73%	0.727	71%	0.706	S	S	*	*			trans	-65.3	94.3	160.7	0	0	0	0	0	105.7	C15 P19	C15-A17 PolarHBondContact O-N 2.8Å; A17-P19 WeakPolarHBondContact O-CD 3.39Å
18	Y	38.4	Very low	40.6	Very low	197 Å²	197	117.1 Å²	117.1	77%	0.773	68%	0.684	S	S	*	*			trans	-55.7	125.3	155	-78.9	-87.1	0	0	0	106.1	S16 L20	S16-Y18 PolarHBondContact O-N 3.11Å; Y18-L20 PolarHBondContact O-N 2.79Å
19	P	35	Very low	41.7	Very low	125 Å²	125	115.4 Å²	115.4	81%	0.812	68%	0.679	S	S	*	*			trans	-67.7	91	168.4	27.9	-30.4	0	0	0	107.2	A17 D21	A17-P19 WeakPolarHBondContact O-CD 3.39Å; P19-D21 PolarHBondContact O-N 2.62Å; P19-D21 VanDerWaalsContact O-N 3.09Å
20	L	47.8	Very low	42.9	Very low	169 Å²	169	110 Å²	110	89%	0.885	65%	0.653	S	S	*	*			trans	-76.3	75	159.1	-78.5	170.6	0	0	0	107.1	Y18	Y18-L20 PolarHBondContact O-N 2.79Å
21	D	45	Very low	44.7	Very low	123 Å²	123	104.6 Å²	104.6	66%	0.658	62%	0.624	S	S	*	*			trans	-158	49.7	164.4	-145.1	12.5	0	0	0	113	P19	P19-D21 PolarHBondContact O-N 2.62Å; P19-D21 VanDerWaalsContact O-N 3.09Å
22	G	35.3	Very low	46.3	Very low	42 Å²	42	103.2 Å²	103.2	43%	0.433	61%	0.608	S	S	.	*	S	Bend	trans	-105	-38.4	165.2	0	0	0	0	0	112.6	A24 R25 D26	G22-A24 PolarHBondContact O-N 3.12Å; G22-R25 PolarHBondContact O-N 2.87Å; G22-D26 PolarHBondContact O-N 3Å
23	G	37.3	Very low	48.5	Very low	51 Å²	51	99.9 Å²	99.9	53%	0.526	59%	0.585	S	S	.	*	H	α-helix	trans	-67.5	-35.7	-171.9	0	0	0	0	0	115.1	R25 E27	G23-R25 PolarHBondContact O-N 3.2Å; G23-E27 WeakPolarHBondContact O-CB 3.09Å; G23-E27 PolarHBondContact O-N 2.97Å
24	A	40.3	Very low	50.7	Low	65 Å²	65	95.6 Å²	95.6	54%	0.537	55%	0.549	S	S	.	.	H	α-helix	trans	-71.8	-30.5	-177.9	0	0	0	0	0	113	G22 D28	G22-A24 PolarHBondContact O-N 3.12Å; A24-D28 WeakPolarHBondContact O-CB 3.31Å; A24-D28 PolarHBondContact O-N 3.33Å
25	R	40.4	Very low	53	Low	195 Å²	195	92.3 Å²	92.3	74%	0.736	53%	0.526	S	S	*	.	H	α-helix	trans	-77.4	-40.5	175.4	-92.5	178.9	166	176.2	-4.3	112.4	G22 G23 T29	G22-R25 PolarHBondContact O-N 2.87Å; G23-R25 PolarHBondContact O-N 3.2Å; R25-T29 WeakPolarHBondContact O-CB 3.32Å; R25-T29 PolarHBondContact O-N 3.38Å; R25-T29 VanDerWaalsContact O-N 3.12Å; R25-T29 PolarHBondContact O-OG1 3.41Å
26	D	51.5	Low	55.4	Low	119 Å²	119	92 Å²	92	64%	0.636	51%	0.514	S	S	*	.	H	α-helix	trans	-69.3	-37.1	177.3	-81	-14.7	0	0	0	112	G22 S30	G22-D26 PolarHBondContact O-N 3Å; D26-S30 VanDerWaalsContact O-CB 3.25Å; D26-S30 WeakPolarHBondContact O-CB 3.42Å; D26-S30 PolarHBondContact O-N 2.83Å
27	E	52.1	Low	58	Low	131 Å²	131	88.1 Å²	88.1	61%	0.612	49%	0.485	S	S	*	.	H	α-helix	trans	-67.4	-44.4	178	-160	172.2	-164.9	0	0	111.1	G23 T29 S30 M31	G23-E27 WeakPolarHBondContact O-CB 3.09Å; G23-E27 PolarHBondContact O-N 2.97Å; E27-T29 PolarHBondContact O-N 3.22Å; E27-S30 PolarHBondContact O-N 2.94Å; E27-M31 VanDerWaalsContact O-CG 3.24Å; E27-M31 WeakPolarHBondContact O-CG 3.27Å; E27-M31 PolarHBondContact O-N 2.73Å
28	D	54.8	Low	60.6	Low	86 Å²	86	84 Å²	84	46%	0.46	45%	0.451	S	S	.	.	H	α-helix	trans	-66.6	-37.2	177.8	-156.8	26.6	0	0	0	112.3	A24 M31 N32	A24-D28 WeakPolarHBondContact O-CB 3.31Å; A24-D28 PolarHBondContact O-N 3.33Å; D28-M31 PolarHBondContact O-N 2.8Å; D28-N32 PolarHBondContact O-N 2.69Å; D28-N32 PolarHBondContact O-ND2 2.95Å
29	T	60.1	Low	62.7	Low	94 Å²	94	76.1 Å²	76.1	58%	0.577	42%	0.421	S	S	*	.	H	α-helix	trans	-68.6	-41.8	175.2	-50.8	0	0	0	0	111.6	R25 E27 M31 N32 F33	R25-T29 WeakPolarHBondContact O-CB 3.32Å; R25-T29 PolarHBondContact O-N 3.38Å; R25-T29 VanDerWaalsContact O-N 3.12Å; R25-T29 PolarHBondContact O-OG1 3.41Å; E27-T29 PolarHBondContact O-N 3.22Å; T29-M31 VanDerWaalsContact C-N 3.3Å; T29-M31 PolarHBondContact O-N 3.11Å; T29-N32 PolarHBondContact O-N 3.29Å; T29-F33 PolarHBondContact O-N 2.88Å; T29-F33 VanDerWaalsContact O-N 3.17Å
30	S	66.6	Low	65	Low	25 Å²	25	73.1 Å²	73.1	18%	0.175	40%	0.398	C	S	.	.	H	α-helix	trans	-66.2	-31.7	177.2	-169.2	0	0	0	0	112.4	D26 E27 V34	D26-S30 VanDerWaalsContact O-CB 3.25Å; D26-S30 WeakPolarHBondContact O-CB 3.42Å; D26-S30 PolarHBondContact O-N 2.83Å; E27-S30 PolarHBondContact O-N 2.94Å; S30-V34 VanDerWaalsContact O-CG2 3.23Å; S30-V34 WeakPolarHBondContact O-CG2 3.35Å; S30-V34 PolarHBondContact O-N 3.42Å
31	M	72.6	Confident	66.9	Low	45 Å²	45	65.6 Å²	65.6	22%	0.222	36%	0.358	C	S	.	.	H	α-helix	trans	-76.4	-37.8	178.8	-68.8	-49.7	-60.8	0	0	112.8	E27 D28 T29 F33 V34 Q35 F51 L79	E27-M31 VanDerWaalsContact O-CG 3.24Å; E27-M31 WeakPolarHBondContact O-CG 3.27Å; E27-M31 PolarHBondContact O-N 2.73Å; D28-M31 PolarHBondContact O-N 2.8Å; T29-M31 VanDerWaalsContact C-N 3.3Å; T29-M31 PolarHBondContact O-N 3.11Å; M31-F33 VanDerWaalsContact C-N 3.33Å; M31-V34 PolarHBondContact O-N 3.28Å; M31-Q35 WeakPolarHBondContact O-CB 3.32Å; M31-Q35 PolarHBondContact O-N 2.89Å; M31-F51 HydrophobicContact CE-CD1 4.44Å; M31-F51 HydrophobicContact CE-CD2 3.76Å; M31-F51 HydrophobicContact CE-CE1 3.8Å; M31-F51 HydrophobicContact CE-CE2 3.03Å; M31-F51 HydrophobicContact CE-CG 4.42Å; M31-F51 HydrophobicContact CE-CZ 3.04Å; M31-L79 HydrophobicContact CE-CD1 3.72Å; M31-L79 HydrophobicContact SD-CD1 3.71Å
32	N	79.9	Confident	68.8	Low	90 Å²	90	59.8 Å²	59.8	48%	0.481	33%	0.327	S	S	.	.	H	α-helix	trans	-62.4	-42.2	172.9	-72.6	-32	0	0	0	111.4	D28 T29 Q35 Q36	D28-N32 PolarHBondContact O-N 2.69Å; D28-N32 PolarHBondContact O-ND2 2.95Å; T29-N32 PolarHBondContact O-N 3.29Å; N32-Q35 PolarHBondContact O-N 2.84Å; N32-Q36 WeakPolarHBondContact O-CB 3.47Å; N32-Q36 PolarHBondContact O-N 2.9Å
33	F	84	Confident	70.9	Confident	47 Å²	47	63.1 Å²	63.1	21%	0.206	34%	0.335	C	S	.	.	H	α-helix	trans	-58	-49.4	175.1	167.4	-104.9	0	0	0	112.5	T29 M31 Q35 Q36 Y37 M87 R88	T29-F33 PolarHBondContact O-N 2.88Å; T29-F33 VanDerWaalsContact O-N 3.17Å; M31-F33 VanDerWaalsContact C-N 3.33Å; F33-Q35 VanDerWaalsContact C-N 3.31Å; F33-Q35 PolarHBondContact O-N 2.77Å; F33-Q36 PolarHBondContact O-N 2.97Å; F33-Y37 WeakPolarHBondContact O-CB 3.3Å; F33-Y37 PolarHBondContact O-N 3.06Å; F33-M87 HydrophobicContact CE1-CB 3.64Å; F33-M87 HydrophobicContact CZ-CB 3.88Å; F33-M87 WeakPolarHBondContact CZ-O 3.25Å; F33-R88 HydrophobicContact CE1-CG 3.76Å; F33-R88 HydrophobicContact CZ-CB 4.48Å; F33-R88 HydrophobicContact CZ-CG 3.66Å
34	V	85.8	Confident	72.9	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.006	31%	0.312	C	S	.	.	H	α-helix	trans	-61.3	-42.3	179	168.4	0	0	0	0	111.4	S30 M31 Y37 L38 L79 L84 M87	S30-V34 VanDerWaalsContact O-CG2 3.23Å; S30-V34 WeakPolarHBondContact O-CG2 3.35Å; S30-V34 PolarHBondContact O-N 3.42Å; M31-V34 PolarHBondContact O-N 3.28Å; V34-Y37 PolarHBondContact O-N 3.18Å; V34-L38 HydrophobicContact CG1-CD1 4.04Å; V34-L38 WeakPolarHBondContact O-CG 3.35Å; V34-L38 PolarHBondContact O-N 3.46Å; V34-L79 HydrophobicContact CB-CD1 4.35Å; V34-L79 HydrophobicContact CB-CD2 4.39Å; V34-L79 HydrophobicContact CG1-CD1 3.87Å; V34-L79 HydrophobicContact CG1-CD2 3.55Å; V34-L79 HydrophobicContact CG1-CG 4.33Å; V34-L79 HydrophobicContact CG2-CD1 4.02Å; V34-L79 HydrophobicContact CG2-CD2 3.9Å; V34-L84 HydrophobicContact CG2-CD2 3.5Å; V34-L84 VanDerWaalsContact CG2-CD2 3.5Å; V34-M87 HydrophobicContact CB-SD 4.41Å; V34-M87 HydrophobicContact CG1-CE 3.99Å; V34-M87 HydrophobicContact CG1-SD 4.25Å; V34-M87 HydrophobicContact CG2-SD 3.89Å
35	Q	83.6	Confident	74.4	Confident	42 Å²	42	65.2 Å²	65.2	20%	0.196	32%	0.32	C	S	.	.	H	α-helix	trans	-61.2	-50.8	177.8	174.4	166.2	-11.2	0	0	110.6	M31 N32 F33 Y37 L38 E39 L44	M31-Q35 WeakPolarHBondContact O-CB 3.32Å; M31-Q35 PolarHBondContact O-N 2.89Å; N32-Q35 PolarHBondContact O-N 2.84Å; F33-Q35 VanDerWaalsContact C-N 3.31Å; F33-Q35 PolarHBondContact O-N 2.77Å; Q35-Y37 VanDerWaalsContact C-N 3.3Å; Q35-Y37 PolarHBondContact O-N 3.04Å; Q35-L38 PolarHBondContact O-N 2.8Å; Q35-L38 VanDerWaalsContact O-N 3.16Å; Q35-E39 HydrophobicContact CG-CG 4.31Å; Q35-E39 WeakPolarHBondContact CG-OE1 3.32Å; Q35-E39 PolarHBondContact NE2-OE1 2.97Å; Q35-E39 VanDerWaalsContact O-CG 3.26Å; Q35-E39 WeakPolarHBondContact O-CG 3.42Å; Q35-E39 PolarHBondContact O-N 3.02Å; Q35-L44 HydrophobicContact CG-CD2 4.46Å
36	Q	84.1	Confident	75.2	Confident	107 Å²	107	60.5 Å²	60.5	50%	0.5	31%	0.305	S	S	.	.	H	α-helix	trans	-59.1	-40.1	178	-171.8	175.9	3.6	0	0	112.3	N32 F33 L38 E39 N40	N32-Q36 WeakPolarHBondContact O-CB 3.47Å; N32-Q36 PolarHBondContact O-N 2.9Å; F33-Q36 PolarHBondContact O-N 2.97Å; Q36-L38 PolarHBondContact O-N 3.06Å; Q36-E39 PolarHBondContact O-N 3.14Å; Q36-N40 WeakPolarHBondContact O-CB 3.29Å; Q36-N40 PolarHBondContact O-N 2.9Å; Q36-N40 PolarHBondContact O-OD1 3.11Å
37	Y	89.1	Confident	75.5	Confident	9 Å²	9	60 Å²	60	4%	0.035	30%	0.302	C	S	.	.	H	α-helix	trans	-60	-47.1	175.7	-171	-79.9	0	0	0	111.9	F33 V34 Q35 E39 N40 Y41 Y42 M67 M87 R91	F33-Y37 WeakPolarHBondContact O-CB 3.3Å; F33-Y37 PolarHBondContact O-N 3.06Å; V34-Y37 PolarHBondContact O-N 3.18Å; Q35-Y37 VanDerWaalsContact C-N 3.3Å; Q35-Y37 PolarHBondContact O-N 3.04Å; Y37-E39 VanDerWaalsContact C-N 3.34Å; Y37-N40 PolarHBondContact O-N 2.84Å; Y37-Y41 AromaticContact CD1-CD2 3.83Å; Y37-Y41 HydrophobicContact CD1-CD2 3.83Å; Y37-Y41 AromaticContact CD2-CD2 3.78Å; Y37-Y41 HydrophobicContact CD2-CD2 3.78Å; Y37-Y41 AromaticContact CD2-CE2 3.64Å; Y37-Y41 HydrophobicContact CD2-CE2 3.64Å; Y37-Y41 AromaticContact CE1-CD2 3.84Å; Y37-Y41 HydrophobicContact CE1-CD2 3.84Å; Y37-Y41 AromaticContact CE2-CD2 3.77Å; Y37-Y41 HydrophobicContact CE2-CD2 3.77Å; Y37-Y41 AromaticContact CE2-CE2 3.72Å; Y37-Y41 HydrophobicContact CE2-CE2 3.72Å; Y37-Y41 AromaticContact CG-CD2 3.8Å; Y37-Y41 HydrophobicContact CG-CD2 3.8Å; Y37-Y41 HydrophobicContact CG-CE2 4.06Å; Y37-Y41 AromaticContact CZ-CD2 3.8Å; Y37-Y41 WeakPolarHBondContact O-CD2 3.37Å; Y37-Y41 PolarHBondContact O-N 2.63Å; Y37-Y42 HydrophobicContact CD1-CD2 4.48Å; Y37-Y42 HydrophobicContact CE1-CD2 4.25Å; Y37-Y42 AromaticContact CE1-CE2 3.87Å; Y37-Y42 HydrophobicContact CE1-CE2 3.87Å; Y37-M67 HydrophobicContact CE1-CE 4.17Å; Y37-M67 HydrophobicContact CE1-CG 4.16Å; Y37-M87 HydrophobicContact CD1-CE 3.39Å; Y37-M87 HydrophobicContact CD1-CG 3.91Å; Y37-M87 HydrophobicContact CD1-SD 4.36Å; Y37-M87 HydrophobicContact CD2-CB 3.94Å; Y37-M87 HydrophobicContact CD2-CG 4.11Å; Y37-M87 WeakPolarHBondContact CD2-O 3.34Å; Y37-M87 HydrophobicContact CE1-CE 4.06Å; Y37-M87 HydrophobicContact CE1-CG 3.94Å; Y37-M87 HydrophobicContact CE2-CB 4Å; Y37-M87 HydrophobicContact CE2-CG 4.16Å; Y37-M87 WeakPolarHBondContact CE2-O 3.48Å; Y37-M87 HydrophobicContact CG-CB 4.27Å; Y37-M87 HydrophobicContact CG-CE 3.88Å; Y37-M87 HydrophobicContact CG-CG 4Å; Y37-M87 HydrophobicContact CG-SD 4.43Å; Y37-R91 PolarHBondContact OH-NH1 3Å; Y37-R91 VanDerWaalsContact OH-NH1 3.17Å
38	L	89.3	Confident	75.6	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-70.9	-31	179.7	-64.6	173.1	0	0	0	112.4	V34 Q35 Q36 Y42 D43 L44 V60 K63 I64 M67 M87	V34-L38 HydrophobicContact CG1-CD1 4.04Å; V34-L38 WeakPolarHBondContact O-CG 3.35Å; V34-L38 PolarHBondContact O-N 3.46Å; Q35-L38 PolarHBondContact O-N 2.8Å; Q35-L38 VanDerWaalsContact O-N 3.16Å; Q36-L38 PolarHBondContact O-N 3.06Å; L38-Y42 HydrophobicContact CD2-CD2 4.17Å; L38-Y42 HydrophobicContact CD2-CG 4.38Å; L38-Y42 CarbonylContact O-C 3.54Å; L38-Y42 VanDerWaalsContact O-C 3.23Å; L38-Y42 VanDerWaalsContact O-CA 3.25Å; L38-Y42 WeakPolarHBondContact O-CA 3.48Å; L38-Y42 WeakPolarHBondContact O-CB 3.45Å; L38-Y42 PolarHBondContact O-N 3.38Å; L38-D43 PolarHBondContact O-N 3.31Å; L38-L44 HydrophobicContact CB-CB 3.9Å; L38-L44 HydrophobicContact CB-CD2 3.66Å; L38-L44 HydrophobicContact CB-CG 4.4Å; L38-L44 HydrophobicContact CD1-CD2 4.22Å; L38-L44 WeakPolarHBondContact O-CB 3.44Å; L38-L44 PolarHBondContact O-N 2.9Å; L38-L44 VanDerWaalsContact O-N 3.13Å; L38-V60 HydrophobicContact CD1-CG1 3.88Å; L38-K63 HydrophobicContact CD1-CB 4.35Å; L38-K63 HydrophobicContact CD2-CB 4.16Å; L38-I64 HydrophobicContact CD1-CG1 3.75Å; L38-M67 HydrophobicContact CD2-CB 4.23Å; L38-M87 HydrophobicContact CD2-CE 3.82Å; L38-M87 HydrophobicContact CG-CE 3.92Å
39	E	83.6	Confident	75.2	Confident	32 Å²	32	60.8 Å²	60.8	15%	0.15	30%	0.303	C	S	.	.	H	α-helix	trans	-66	-46.2	172.9	-71.5	173	-175.1	0	0	111.1	Q35 Q36 Y37 L44 K46	Q35-E39 HydrophobicContact CG-CG 4.31Å; Q35-E39 WeakPolarHBondContact CG-OE1 3.32Å; Q35-E39 PolarHBondContact NE2-OE1 2.97Å; Q35-E39 VanDerWaalsContact O-CG 3.26Å; Q35-E39 WeakPolarHBondContact O-CG 3.42Å; Q35-E39 PolarHBondContact O-N 3.02Å; Q36-E39 PolarHBondContact O-N 3.14Å; Y37-E39 VanDerWaalsContact C-N 3.34Å; E39-L44 HydrophobicContact CG-CB 4.17Å; E39-L44 HydrophobicContact CG-CD2 4.34Å; E39-L44 HydrophobicContact CG-CG 4.39Å; E39-L44 WeakPolarHBondContact CG-O 3.49Å; E39-K46 HydrophobicContact CB-CG 4.3Å; E39-K46 HydrophobicContact CG-CG 3.92Å; E39-K46 WeakPolarHBondContact OE1-CA 3.17Å; E39-K46 WeakPolarHBondContact OE2-CG 3.49Å
40	N	82.6	Confident	74.6	Confident	63 Å²	63	63.1 Å²	63.1	34%	0.337	31%	0.308	S	S	.	.	H	α-helix	trans	-71.5	-42.7	-175.9	-71.3	-2.8	0	0	0	112.6	Q36 Y37	Q36-N40 WeakPolarHBondContact O-CB 3.29Å; Q36-N40 PolarHBondContact O-N 2.9Å; Q36-N40 PolarHBondContact O-OD1 3.11Å; Y37-N40 PolarHBondContact O-N 2.84Å
41	Y	86.8	Confident	73.9	Confident	11 Å²	11	67.4 Å²	67.4	4%	0.043	32%	0.323	C	S	.	.	H	α-helix	trans	-110.9	-16	-169	-48.7	-60.8	0	0	0	114.7	Y37 D96 V97 V180	Y37-Y41 AromaticContact CD1-CD2 3.83Å; Y37-Y41 HydrophobicContact CD1-CD2 3.83Å; Y37-Y41 AromaticContact CD2-CD2 3.78Å; Y37-Y41 HydrophobicContact CD2-CD2 3.78Å; Y37-Y41 AromaticContact CD2-CE2 3.64Å; Y37-Y41 HydrophobicContact CD2-CE2 3.64Å; Y37-Y41 AromaticContact CE1-CD2 3.84Å; Y37-Y41 HydrophobicContact CE1-CD2 3.84Å; Y37-Y41 AromaticContact CE2-CD2 3.77Å; Y37-Y41 HydrophobicContact CE2-CD2 3.77Å; Y37-Y41 AromaticContact CE2-CE2 3.72Å; Y37-Y41 HydrophobicContact CE2-CE2 3.72Å; Y37-Y41 AromaticContact CG-CD2 3.8Å; Y37-Y41 HydrophobicContact CG-CD2 3.8Å; Y37-Y41 HydrophobicContact CG-CE2 4.06Å; Y37-Y41 AromaticContact CZ-CD2 3.8Å; Y37-Y41 WeakPolarHBondContact O-CD2 3.37Å; Y37-Y41 PolarHBondContact O-N 2.63Å; Y41-D96 PolarHBondContact O-N 3.21Å; Y41-V97 PolarHBondContact O-N 3.17Å; Y41-V180 WeakPolarHBondContact OH-CG2 3.15Å
42	Y	84.9	Confident	72.4	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-125.5	15.8	-173.1	-69.1	-88.4	0	0	0	115.2	Y37 L38 L44 K63 E66 M67 F70 D96 V97	Y37-Y42 HydrophobicContact CD1-CD2 4.48Å; Y37-Y42 HydrophobicContact CE1-CD2 4.25Å; Y37-Y42 AromaticContact CE1-CE2 3.87Å; Y37-Y42 HydrophobicContact CE1-CE2 3.87Å; L38-Y42 HydrophobicContact CD2-CD2 4.17Å; L38-Y42 HydrophobicContact CD2-CG 4.38Å; L38-Y42 CarbonylContact O-C 3.54Å; L38-Y42 VanDerWaalsContact O-C 3.23Å; L38-Y42 VanDerWaalsContact O-CA 3.25Å; L38-Y42 WeakPolarHBondContact O-CA 3.48Å; L38-Y42 WeakPolarHBondContact O-CB 3.45Å; L38-Y42 PolarHBondContact O-N 3.38Å; Y42-L44 PolarHBondContact O-N 3.46Å; Y42-K63 VanDerWaalsContact O-CD 3.22Å; Y42-K63 WeakPolarHBondContact O-CD 3.46Å; Y42-K63 WeakPolarHBondContact O-CE 3.26Å; Y42-K63 PolarHBondContact O-NZ 3.24Å; Y42-E66 HydrophobicContact CD1-CB 4.49Å; Y42-E66 HydrophobicContact CD1-CG 4.12Å; Y42-E66 HydrophobicContact CE1-CG 4.47Å; Y42-M67 HydrophobicContact CD1-CB 3.93Å; Y42-M67 HydrophobicContact CD2-CB 3.89Å; Y42-M67 HydrophobicContact CD2-CG 4.06Å; Y42-M67 HydrophobicContact CE1-CB 3.64Å; Y42-M67 HydrophobicContact CE1-CG 4.28Å; Y42-M67 HydrophobicContact CE2-CB 3.54Å; Y42-M67 HydrophobicContact CE2-CG 3.39Å; Y42-M67 HydrophobicContact CG-CB 4.08Å; Y42-M67 VanDerWaalsContact CZ-CB 3.4Å; Y42-M67 WeakPolarHBondContact OH-CA 3.5Å; Y42-F70 HydrophobicContact CE1-CB 4.19Å; Y42-D96 HydrophobicContact CE1-CB 3.89Å; Y42-D96 HydrophobicContact CE2-CB 4.21Å; Y42-D96 VanDerWaalsContact CE2-OD2 3.26Å; Y42-D96 WeakPolarHBondContact CE2-OD2 3.29Å; Y42-D96 PolarHBondContact OH-OD2 3.47Å; Y42-V97 VanDerWaalsContact CA-CG2 3.44Å; Y42-V97 HydrophobicContact CD1-CB 4.39Å; Y42-V97 HydrophobicContact CD1-CG1 4.06Å; Y42-V97 HydrophobicContact CD1-CG2 3.42Å; Y42-V97 VanDerWaalsContact CD1-CG2 3.42Å; Y42-V97 HydrophobicContact CE1-CG1 4.03Å; Y42-V97 HydrophobicContact CE1-CG2 4.19Å; Y42-V97 HydrophobicContact CG-CG2 4.02Å
43	D	79.5	Confident	70.6	Confident	112 Å²	112	77.5 Å²	77.5	60%	0.599	37%	0.366	S	S	*	.			trans	53.1	41.8	176.2	-169.2	36.8	0	0	0	111.8	L38	L38-D43 PolarHBondContact O-N 3.31Å
44	L	80.7	Confident	68.7	Low	9 Å²	9	86.9 Å²	86.9	5%	0.047	40%	0.4	C	S	.	.			trans	-76.5	127.6	168.8	-178	68	0	0	0	108.8	Q35 L38 E39 Y42 K46 V48 P59 V60 K63	Q35-L44 HydrophobicContact CG-CD2 4.46Å; L38-L44 HydrophobicContact CB-CB 3.9Å; L38-L44 HydrophobicContact CB-CD2 3.66Å; L38-L44 HydrophobicContact CB-CG 4.4Å; L38-L44 HydrophobicContact CD1-CD2 4.22Å; L38-L44 WeakPolarHBondContact O-CB 3.44Å; L38-L44 PolarHBondContact O-N 2.9Å; L38-L44 VanDerWaalsContact O-N 3.13Å; E39-L44 HydrophobicContact CG-CB 4.17Å; E39-L44 HydrophobicContact CG-CD2 4.34Å; E39-L44 HydrophobicContact CG-CG 4.39Å; E39-L44 WeakPolarHBondContact CG-O 3.49Å; Y42-L44 PolarHBondContact O-N 3.46Å; L44-K46 PolarHBondContact O-N 2.65Å; L44-V48 HydrophobicContact CD1-CG2 4.35Å; L44-P59 HydrophobicContact CD1-CB 4.44Å; L44-V60 HydrophobicContact CD1-CG2 4.25Å; L44-V60 HydrophobicContact CD2-CG2 4.17Å; L44-K63 HydrophobicContact CB-CG 4.28Å; L44-K63 HydrophobicContact CD1-CB 4.49Å; L44-K63 HydrophobicContact CD1-CG 3.91Å
45	E	71.4	Confident	66.7	Low	152 Å²	152	94.6 Å²	94.6	71%	0.71	43%	0.434	S	S	*	.			trans	-62.6	126.2	176.1	-64.1	177.2	-176.5	0	0	111.1	D47 V48	E45-D47 PolarHBondContact O-N 2.67Å; E45-V48 WeakPolarHBondContact O-CG2 3.33Å; E45-V48 PolarHBondContact O-N 3.18Å
46	K	56.8	Low	65.3	Low	95 Å²	95	98.8 Å²	98.8	41%	0.413	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-7.1	-174.2	-55.9	-161.3	166	179.7	0	116.2	E39 L44 E367	E39-K46 HydrophobicContact CB-CG 4.3Å; E39-K46 HydrophobicContact CG-CG 3.92Å; E39-K46 WeakPolarHBondContact OE1-CA 3.17Å; E39-K46 WeakPolarHBondContact OE2-CG 3.49Å; L44-K46 PolarHBondContact O-N 2.65Å; K46-E367 IonicContact NZ-OE1 2.77Å; K46-E367 PolarHBondContact NZ-OE1 3.24Å; K46-E367 IonicContact NZ-OE2 3.48Å
47	D	56.7	Low	63.9	Low	109 Å²	109	97.7 Å²	97.7	58%	0.583	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	10.5	-174.5	-110.9	26.8	0	0	0	114.1	E45 K49 A370	E45-D47 PolarHBondContact O-N 2.67Å; D47-K49 VanDerWaalsContact C-N 3.26Å; D47-K49 PolarHBondContact O-N 3.47Å; D47-A370 HydrophobicContact CB-CB 3.45Å; D47-A370 VanDerWaalsContact CB-CB 3.45Å; D47-A370 WeakPolarHBondContact OD2-CB 3.44Å
48	V	55.2	Low	63.1	Low	41 Å²	41	98.4 Å²	98.4	25%	0.248	47%	0.472	C	S	.	.			trans	-68	89.3	171.4	-177.7	0	0	0	0	108.4	L44 E45 Q50 P59 V60	L44-V48 HydrophobicContact CD1-CG2 4.35Å; E45-V48 WeakPolarHBondContact O-CG2 3.33Å; E45-V48 PolarHBondContact O-N 3.18Å; V48-Q50 PolarHBondContact O-N 3.49Å; V48-P59 HydrophobicContact CG2-CB 4.44Å; V48-V60 HydrophobicContact CG1-CG2 4.03Å
49	K	46.6	Very low	62.5	Low	193 Å²	193	102.1 Å²	102.1	84%	0.839	50%	0.496	S	S	*	.			trans	-47.1	131.7	179.7	-70.9	-174.5	177.7	-177.7	0	111.2	D47 F51	D47-K49 VanDerWaalsContact C-N 3.26Å; D47-K49 PolarHBondContact O-N 3.47Å; K49-F51 PolarHBondContact O-N 3.39Å
50	Q	47.8	Very low	62.4	Low	143 Å²	143	101.3 Å²	101.3	67%	0.668	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-7.9	120.1	163.4	-130.2	176.1	7.4	0	0	113.1	V48 V52	V48-Q50 PolarHBondContact O-N 3.49Å; Q50-V52 VanDerWaalsContact C-N 3.27Å; Q50-V52 WeakPolarHBondContact O-CG2 3.48Å; Q50-V52 PolarHBondContact O-N 2.83Å
51	F	50.6	Low	62.5	Low	115 Å²	115	99.4 Å²	99.4	50%	0.504	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-25.2	69.3	178.3	-74.2	-98.8	0	0	0	117	M31 K49 R53 V60	M31-F51 HydrophobicContact CE-CD1 4.44Å; M31-F51 HydrophobicContact CE-CD2 3.76Å; M31-F51 HydrophobicContact CE-CE1 3.8Å; M31-F51 HydrophobicContact CE-CE2 3.03Å; M31-F51 HydrophobicContact CE-CG 4.42Å; M31-F51 HydrophobicContact CE-CZ 3.04Å; K49-F51 PolarHBondContact O-N 3.39Å; F51-R53 PolarHBondContact O-N 3.29Å; F51-R53 VanDerWaalsContact O-N 3.1Å; F51-V60 HydrophobicContact CZ-CG1 3.97Å
52	V	42.3	Very low	62.4	Low	130 Å²	130	105.5 Å²	105.5	79%	0.788	51%	0.51	S	S	*	.			trans	-85.4	93.7	167.4	-178.9	0	0	0	0	106.9	Q50	Q50-V52 VanDerWaalsContact C-N 3.27Å; Q50-V52 WeakPolarHBondContact O-CG2 3.48Å; Q50-V52 PolarHBondContact O-N 2.83Å
53	R	40.5	Very low	62.6	Low	217 Å²	217	107.3 Å²	107.3	82%	0.819	52%	0.518	S	S	*	.	S	Bend	trans	84.2	108.1	170.8	-61.7	176.7	170.5	170.8	-3.1	115.4	F51 K55	F51-R53 PolarHBondContact O-N 3.29Å; F51-R53 VanDerWaalsContact O-N 3.1Å; R53-K55 VanDerWaalsContact C-N 3.29Å; R53-K55 PolarHBondContact O-N 3.24Å
54	R	44.3	Very low	63.1	Low	244 Å²	244	102.2 Å²	102.2	92%	0.921	49%	0.491	S	S	*	.			trans	-37.6	87.4	151.5	-67.9	177.9	176.9	175.2	-1.6	111.2
55	K	45.5	Very low	63.5	Low	162 Å²	162	106.8 Å²	106.8	70%	0.704	51%	0.508	S	S	*	.			trans	-116.1	129.3	156.8	-95.6	-173.8	172.6	-177.4	0	106.1	R53 S57 G58	R53-K55 VanDerWaalsContact C-N 3.29Å; R53-K55 PolarHBondContact O-N 3.24Å; K55-S57 PolarHBondContact O-N 3.06Å; K55-G58 PolarHBondContact O-N 2.82Å
56	D	52.8	Low	64.3	Low	130 Å²	130	103.1 Å²	103.1	70%	0.695	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	15.1	-180	-81	-35.6	0	0	0	115.3
57	S	55	Low	66.1	Low	85 Å²	85	98.6 Å²	98.6	59%	0.594	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.8	16.5	-170	59.3	0	0	0	0	115.5	K55	K55-S57 PolarHBondContact O-N 3.06Å
58	G	72.6	Confident	67.8	Low	24 Å²	24	93.4 Å²	93.4	25%	0.247	44%	0.443	C	S	.	.	S	Bend	trans	-71.2	163.5	176.5	0	0	0	0	0	114.3	K55 V60 V61 K62	K55-G58 PolarHBondContact O-N 2.82Å; G58-V60 VanDerWaalsContact C-N 3.27Å; G58-V60 PolarHBondContact O-N 3.44Å; G58-V61 PolarHBondContact O-N 2.86Å; G58-V61 VanDerWaalsContact O-N 3.15Å; G58-K62 PolarHBondContact O-N 3.38Å
59	P	75.9	Confident	69.3	Low	77 Å²	77	99 Å²	99	50%	0.5	46%	0.464	S	S	.	.	H	α-helix	trans	-52.9	-41.3	176.4	-26.4	34.6	0	0	0	113.5	L44 V48 V61 K62 K63	L44-P59 HydrophobicContact CD1-CB 4.44Å; V48-P59 HydrophobicContact CG2-CB 4.44Å; P59-V61 PolarHBondContact O-N 2.95Å; P59-K62 WeakPolarHBondContact O-CB 3.4Å; P59-K62 PolarHBondContact O-N 3.1Å; P59-K63 PolarHBondContact O-N 2.82Å; P59-K63 VanDerWaalsContact O-N 3.1Å
60	V	81.5	Confident	71.2	Confident	15 Å²	15	91.5 Å²	91.5	9%	0.091	43%	0.431	C	S	.	.	H	α-helix	trans	-60.7	-45.8	177.4	-178.7	0	0	0	0	111.9	L38 L44 V48 F51 G58 K62 K63 I64	L38-V60 HydrophobicContact CD1-CG1 3.88Å; L44-V60 HydrophobicContact CD1-CG2 4.25Å; L44-V60 HydrophobicContact CD2-CG2 4.17Å; V48-V60 HydrophobicContact CG1-CG2 4.03Å; F51-V60 HydrophobicContact CZ-CG1 3.97Å; G58-V60 VanDerWaalsContact C-N 3.27Å; G58-V60 PolarHBondContact O-N 3.44Å; V60-K62 PolarHBondContact O-N 3.32Å; V60-K63 PolarHBondContact O-N 3.43Å; V60-K63 VanDerWaalsContact O-N 3.13Å; V60-I64 HydrophobicContact CG1-CD1 3.87Å; V60-I64 HydrophobicContact CG1-CG1 4.32Å; V60-I64 WeakPolarHBondContact O-CG1 3.46Å; V60-I64 PolarHBondContact O-N 2.82Å
61	V	85.3	Confident	73.1	Confident	23 Å²	23	85 Å²	85	14%	0.139	40%	0.401	C	S	.	.	H	α-helix	trans	-61.8	-35.6	178.8	176	0	0	0	0	111.1	G58 P59 R65	G58-V61 PolarHBondContact O-N 2.86Å; G58-V61 VanDerWaalsContact O-N 3.15Å; P59-V61 PolarHBondContact O-N 2.95Å; V61-R65 WeakPolarHBondContact O-CG 3.21Å; V61-R65 PolarHBondContact O-N 3.11Å
62	K	85.6	Confident	74.8	Confident	139 Å²	139	82.4 Å²	82.4	60%	0.604	41%	0.407	S	S	*	.	H	α-helix	trans	-65.8	-44.5	175.1	-66.4	-179.2	179.9	179.9	0	111.5	G58 P59 V60 R65 E66	G58-K62 PolarHBondContact O-N 3.38Å; P59-K62 WeakPolarHBondContact O-CB 3.4Å; P59-K62 PolarHBondContact O-N 3.1Å; V60-K62 PolarHBondContact O-N 3.32Å; K62-R65 PolarHBondContact O-N 2.83Å; K62-E66 PolarHBondContact O-N 2.94Å
63	K	87.9	Confident	77	Confident	39 Å²	39	78.2 Å²	78.2	17%	0.17	38%	0.38	C	S	.	.	H	α-helix	trans	-67.3	-36.1	177.5	-66.6	-53.7	-167.6	165.1	0	112.7	L38 Y42 L44 P59 V60 R65 E66 M67	L38-K63 HydrophobicContact CD1-CB 4.35Å; L38-K63 HydrophobicContact CD2-CB 4.16Å; Y42-K63 VanDerWaalsContact O-CD 3.22Å; Y42-K63 WeakPolarHBondContact O-CD 3.46Å; Y42-K63 WeakPolarHBondContact O-CE 3.26Å; Y42-K63 PolarHBondContact O-NZ 3.24Å; L44-K63 HydrophobicContact CB-CG 4.28Å; L44-K63 HydrophobicContact CD1-CB 4.49Å; L44-K63 HydrophobicContact CD1-CG 3.91Å; P59-K63 PolarHBondContact O-N 2.82Å; P59-K63 VanDerWaalsContact O-N 3.1Å; V60-K63 PolarHBondContact O-N 3.43Å; V60-K63 VanDerWaalsContact O-N 3.13Å; K63-R65 PolarHBondContact O-N 3.41Å; K63-E66 WeakPolarHBondContact CD-OE2 3.5Å; K63-E66 IonicContact NZ-OE2 3.82Å; K63-E66 PolarHBondContact NZ-OE2 2.87Å; K63-E66 PolarHBondContact O-N 2.81Å; K63-M67 WeakPolarHBondContact O-CB 3.49Å; K63-M67 PolarHBondContact O-N 3.32Å
64	I	89.8	Confident	79.3	Confident	5 Å²	5	75.6 Å²	75.6	3%	0.026	38%	0.377	C	S	.	.	H	α-helix	trans	-60.4	-45.2	170.2	-65.8	166.5	0	0	0	110.6	L38 V60 E66 M67 Q68 L79	L38-I64 HydrophobicContact CD1-CG1 3.75Å; V60-I64 HydrophobicContact CG1-CD1 3.87Å; V60-I64 HydrophobicContact CG1-CG1 4.32Å; V60-I64 WeakPolarHBondContact O-CG1 3.46Å; V60-I64 PolarHBondContact O-N 2.82Å; I64-E66 VanDerWaalsContact C-N 3.34Å; I64-E66 PolarHBondContact O-N 2.86Å; I64-M67 PolarHBondContact O-N 2.82Å; I64-Q68 HydrophobicContact CG2-CG 4.21Å; I64-Q68 WeakPolarHBondContact O-CB 3.38Å; I64-Q68 VanDerWaalsContact O-CG 3.27Å; I64-Q68 WeakPolarHBondContact O-CG 3.34Å; I64-Q68 PolarHBondContact O-N 2.9Å; I64-L79 HydrophobicContact CD1-CD1 4.5Å; I64-L79 HydrophobicContact CD1-CD2 3.73Å; I64-L79 HydrophobicContact CD1-CG 3.92Å; I64-L79 HydrophobicContact CG1-CD2 4.18Å
65	R	89.8	Confident	81.6	Confident	104 Å²	104	67.7 Å²	67.7	39%	0.392	36%	0.356	S	S	.	.	H	α-helix	trans	-65.1	-37.8	177.5	-72.8	-178.5	-178.4	160.7	6.5	112.9	V61 K62 K63 K69 V75	V61-R65 WeakPolarHBondContact O-CG 3.21Å; V61-R65 PolarHBondContact O-N 3.11Å; K62-R65 PolarHBondContact O-N 2.83Å; K63-R65 PolarHBondContact O-N 3.41Å; R65-K69 VanDerWaalsContact O-CB 3.26Å; R65-K69 WeakPolarHBondContact O-CB 3.49Å; R65-K69 PolarHBondContact O-N 3.46Å; R65-V75 HydrophobicContact CB-CG1 3.7Å; R65-V75 HydrophobicContact CG-CG1 3.76Å
66	E	88.7	Confident	83.7	Confident	75 Å²	75	61.7 Å²	61.7	35%	0.35	33%	0.333	S	S	.	.	H	α-helix	trans	-62.8	-46.9	175.2	-175.2	168.7	-151.8	0	0	110.8	Y42 K62 K63 I64 K69 F70 V97	Y42-E66 HydrophobicContact CD1-CB 4.49Å; Y42-E66 HydrophobicContact CD1-CG 4.12Å; Y42-E66 HydrophobicContact CE1-CG 4.47Å; K62-E66 PolarHBondContact O-N 2.94Å; K63-E66 WeakPolarHBondContact CD-OE2 3.5Å; K63-E66 IonicContact NZ-OE2 3.82Å; K63-E66 PolarHBondContact NZ-OE2 2.87Å; K63-E66 PolarHBondContact O-N 2.81Å; I64-E66 VanDerWaalsContact C-N 3.34Å; I64-E66 PolarHBondContact O-N 2.86Å; E66-K69 PolarHBondContact O-N 3.36Å; E66-F70 WeakPolarHBondContact O-CB 3.34Å; E66-F70 PolarHBondContact O-N 2.89Å; E66-V97 HydrophobicContact CG-CG1 4.12Å; E66-V97 HydrophobicContact CG-CG2 4.46Å
67	M	93.4	Very high	85.3	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-60.5	-51.6	174.4	174.3	-79.6	-141.6	0	0	112.9	Y37 L38 Y42 K63 I64 K69 F70 L71 L73 T83 M87	Y37-M67 HydrophobicContact CE1-CE 4.17Å; Y37-M67 HydrophobicContact CE1-CG 4.16Å; L38-M67 HydrophobicContact CD2-CB 4.23Å; Y42-M67 HydrophobicContact CD1-CB 3.93Å; Y42-M67 HydrophobicContact CD2-CB 3.89Å; Y42-M67 HydrophobicContact CD2-CG 4.06Å; Y42-M67 HydrophobicContact CE1-CB 3.64Å; Y42-M67 HydrophobicContact CE1-CG 4.28Å; Y42-M67 HydrophobicContact CE2-CB 3.54Å; Y42-M67 HydrophobicContact CE2-CG 3.39Å; Y42-M67 HydrophobicContact CG-CB 4.08Å; Y42-M67 VanDerWaalsContact CZ-CB 3.4Å; Y42-M67 WeakPolarHBondContact OH-CA 3.5Å; K63-M67 WeakPolarHBondContact O-CB 3.49Å; K63-M67 PolarHBondContact O-N 3.32Å; I64-M67 PolarHBondContact O-N 2.82Å; M67-K69 PolarHBondContact O-N 2.86Å; M67-F70 PolarHBondContact O-N 3.38Å; M67-L71 HydrophobicContact CE-CD1 4Å; M67-L71 HydrophobicContact CG-CD1 3.82Å; M67-L71 HydrophobicContact CG-CG 4.48Å; M67-L71 PolarHBondContact O-N 3.29Å; M67-L71 HydrophobicContact SD-CD1 3.75Å; M67-L73 HydrophobicContact SD-CD1 4.4Å; M67-T83 HydrophobicContact CE-CG2 3.75Å; M67-T83 HydrophobicContact SD-CG2 4.33Å; M67-M87 HydrophobicContact CE-CE 3.62Å; M67-M87 HydrophobicContact CE-CG 3.18Å; M67-M87 HydrophobicContact CE-SD 3.86Å
68	Q	92	Very high	86.8	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-57.1	-43	178.7	-76.7	172.8	-28.4	0	0	110.8	I64 G72 L73 E74 V75 T76 K78 T83	I64-Q68 HydrophobicContact CG2-CG 4.21Å; I64-Q68 WeakPolarHBondContact O-CB 3.38Å; I64-Q68 VanDerWaalsContact O-CG 3.27Å; I64-Q68 WeakPolarHBondContact O-CG 3.34Å; I64-Q68 PolarHBondContact O-N 2.9Å; Q68-G72 PolarHBondContact O-N 2.8Å; Q68-L73 HydrophobicContact CB-CB 3.98Å; Q68-L73 HydrophobicContact CG-CB 4.15Å; Q68-L73 HydrophobicContact CG-CD1 4.24Å; Q68-L73 PolarHBondContact O-N 2.85Å; Q68-E74 PolarHBondContact OE1-O 2.76Å; Q68-V75 HydrophobicContact CB-CG2 4.5Å; Q68-T76 PolarHBondContact NE2-OG1 2.63Å; Q68-K78 PolarHBondContact NE2-O 2.8Å; Q68-T83 HydrophobicContact CG-CG2 4.43Å; Q68-T83 PolarHBondContact NE2-OG1 2.92Å
69	K	87.9	Confident	87.5	Confident	160 Å²	160	59.5 Å²	59.5	70%	0.696	30%	0.303	S	S	*	.	H	α-helix	trans	-63.5	-43.5	176.6	-176.3	-175.8	175.3	-169.8	0	112.1	R65 E66 M67 G72 V75	R65-K69 VanDerWaalsContact O-CB 3.26Å; R65-K69 WeakPolarHBondContact O-CB 3.49Å; R65-K69 PolarHBondContact O-N 3.46Å; E66-K69 PolarHBondContact O-N 3.36Å; M67-K69 PolarHBondContact O-N 2.86Å; K69-G72 PolarHBondContact O-N 2.97Å; K69-V75 HydrophobicContact CB-CG2 3.93Å
70	F	86.8	Confident	87.8	Confident	34 Å²	34	58.3 Å²	58.3	15%	0.149	29%	0.293	C	S	.	.	H	α-helix	trans	-67.5	-41.8	-178.4	-169.4	-84.2	0	0	0	112	Y42 E66 M67 G72 D96 V97 H228 A230 P238	Y42-F70 HydrophobicContact CE1-CB 4.19Å; E66-F70 WeakPolarHBondContact O-CB 3.34Å; E66-F70 PolarHBondContact O-N 2.89Å; M67-F70 PolarHBondContact O-N 3.38Å; F70-G72 VanDerWaalsContact C-N 3.26Å; F70-G72 PolarHBondContact O-N 2.87Å; F70-D96 HydrophobicContact CD1-CB 3.99Å; F70-D96 HydrophobicContact CE1-CB 3.89Å; F70-D96 HydrophobicContact CE2-CB 4.49Å; F70-D96 HydrophobicContact CG-CB 4.36Å; F70-D96 HydrophobicContact CZ-CB 4.15Å; F70-V97 HydrophobicContact CD2-CG1 4.39Å; F70-H228 HydrophobicContact CE1-CB 4.14Å; F70-H228 HydrophobicContact CZ-CB 3.75Å; F70-A230 HydrophobicContact CD2-CB 4.39Å; F70-A230 HydrophobicContact CE2-CB 4.42Å; F70-A230 WeakPolarHBondContact O-CB 3.31Å; F70-P238 HydrophobicContact CD1-CG 4.48Å; F70-P238 HydrophobicContact CE1-CG 3.93Å
71	L	87.8	Confident	88	Confident	6 Å²	6	61.7 Å²	61.7	3%	0.031	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	10.2	-179.3	-58.2	178.1	0	0	0	113.4	M67 L73 V86 Y237 P238 L239	M67-L71 HydrophobicContact CE-CD1 4Å; M67-L71 HydrophobicContact CG-CD1 3.82Å; M67-L71 HydrophobicContact CG-CG 4.48Å; M67-L71 PolarHBondContact O-N 3.29Å; M67-L71 HydrophobicContact SD-CD1 3.75Å; L71-L73 VanDerWaalsContact C-N 3.35Å; L71-L73 PolarHBondContact O-N 3.39Å; L71-V86 HydrophobicContact CB-CG1 4.34Å; L71-V86 HydrophobicContact CD1-CG1 3.49Å; L71-V86 VanDerWaalsContact CD1-CG1 3.49Å; L71-V86 HydrophobicContact CG-CG1 4.49Å; L71-Y237 HydrophobicContact CD2-CE2 4.14Å; L71-Y237 PolarHBondContact O-OH 3.16Å; L71-P238 HydrophobicContact CD2-CG 3.68Å; L71-L239 HydrophobicContact CD1-CD1 4.49Å; L71-L239 HydrophobicContact CD2-CD1 4.22Å; L71-L239 HydrophobicContact CD2-CD2 4.45Å; L71-L239 HydrophobicContact CD2-CG 4.18Å
72	G	85.4	Confident	87.9	Confident	61 Å²	61	65.2 Å²	65.2	63%	0.629	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	21.4	174.9	0	0	0	0	0	115.7	Q68 K69 F70	Q68-G72 PolarHBondContact O-N 2.8Å; K69-G72 PolarHBondContact O-N 2.97Å; F70-G72 VanDerWaalsContact C-N 3.26Å; F70-G72 PolarHBondContact O-N 2.87Å
73	L	88.5	Confident	88.1	Confident	42 Å²	42	58.7 Å²	58.7	22%	0.22	31%	0.307	C	S	.	.			trans	-86	163.8	177	-59.6	176.3	0	0	0	112.7	M67 Q68 L71 V75 V86	M67-L73 HydrophobicContact SD-CD1 4.4Å; Q68-L73 HydrophobicContact CB-CB 3.98Å; Q68-L73 HydrophobicContact CG-CB 4.15Å; Q68-L73 HydrophobicContact CG-CD1 4.24Å; Q68-L73 PolarHBondContact O-N 2.85Å; L71-L73 VanDerWaalsContact C-N 3.35Å; L71-L73 PolarHBondContact O-N 3.39Å; L73-V75 PolarHBondContact O-N 3.27Å; L73-V86 HydrophobicContact CD1-CB 4.16Å; L73-V86 HydrophobicContact CD1-CG1 4.21Å; L73-V86 HydrophobicContact CD1-CG2 4.16Å; L73-V86 HydrophobicContact CD2-CG2 4.04Å
74	E	89.8	Confident	88.1	Confident	163 Å²	163	58.2 Å²	58.2	76%	0.762	31%	0.306	S	S	*	.			trans	-62.4	124.4	168.9	-169.9	179.3	168.4	0	0	109.8	Q68 T76	Q68-E74 PolarHBondContact OE1-O 2.76Å; E74-T76 VanDerWaalsContact C-N 3.33Å; E74-T76 HydrophobicContact CB-CG2 4.28Å; E74-T76 HydrophobicContact CG-CG2 3.97Å; E74-T76 PolarHBondContact O-N 3.08Å
75	V	92.3	Very high	88	Confident	78 Å²	78	63.4 Å²	63.4	47%	0.473	33%	0.331	S	S	.	.			trans	-80.6	81	-173.8	-173.6	0	0	0	0	110.3	R65 Q68 K69 L73	R65-V75 HydrophobicContact CB-CG1 3.7Å; R65-V75 HydrophobicContact CG-CG1 3.76Å; Q68-V75 HydrophobicContact CB-CG2 4.5Å; K69-V75 HydrophobicContact CB-CG2 3.93Å; L73-V75 PolarHBondContact O-N 3.27Å
76	T	89.3	Confident	88	Confident	35 Å²	35	59.1 Å²	59.1	22%	0.215	32%	0.316	C	S	.	.			trans	-93.4	-29.4	-179.1	66.7	0	0	0	0	112.4	Q68 E74 K78 D80	Q68-T76 PolarHBondContact NE2-OG1 2.63Å; E74-T76 VanDerWaalsContact C-N 3.33Å; E74-T76 HydrophobicContact CB-CG2 4.28Å; E74-T76 HydrophobicContact CG-CG2 3.97Å; E74-T76 PolarHBondContact O-N 3.08Å; T76-K78 PolarHBondContact OG1-N 3.46Å; T76-K78 VanDerWaalsContact OG1-N 3.13Å; T76-D80 PolarHBondContact OG1-OD2 2.96Å
77	G	86.2	Confident	88	Confident	7 Å²	7	55.7 Å²	55.7	7%	0.072	30%	0.3	C	S	.	.	S	Bend	trans	69.6	15.8	-167.6	0	0	0	0	0	113.8
78	K	87.3	Confident	87.9	Confident	138 Å²	138	61.9 Å²	61.9	60%	0.6	32%	0.323	S	S	*	.	S	Bend	trans	-113	152.8	-179.6	-61.5	178.8	-177.9	174.6	0	109.8	Q68 T76 D80	Q68-K78 PolarHBondContact NE2-O 2.8Å; T76-K78 PolarHBondContact OG1-N 3.46Å; T76-K78 VanDerWaalsContact OG1-N 3.13Å; K78-D80 PolarHBondContact O-N 3.31Å; K78-D80 VanDerWaalsContact O-N 3.13Å
79	L	85.4	Confident	87.8	Confident	48 Å²	48	65.9 Å²	65.9	25%	0.251	34%	0.341	S	S	.	.			trans	-86.6	68.2	171.6	-60.4	168.3	0	0	0	109.1	M31 V34 I64 T83 L84 M87	M31-L79 HydrophobicContact CE-CD1 3.72Å; M31-L79 HydrophobicContact SD-CD1 3.71Å; V34-L79 HydrophobicContact CB-CD1 4.35Å; V34-L79 HydrophobicContact CB-CD2 4.39Å; V34-L79 HydrophobicContact CG1-CD1 3.87Å; V34-L79 HydrophobicContact CG1-CD2 3.55Å; V34-L79 HydrophobicContact CG1-CG 4.33Å; V34-L79 HydrophobicContact CG2-CD1 4.02Å; V34-L79 HydrophobicContact CG2-CD2 3.9Å; I64-L79 HydrophobicContact CD1-CD1 4.5Å; I64-L79 HydrophobicContact CD1-CD2 3.73Å; I64-L79 HydrophobicContact CD1-CG 3.92Å; I64-L79 HydrophobicContact CG1-CD2 4.18Å; L79-T83 HydrophobicContact CD2-CG2 4.21Å; L79-L84 HydrophobicContact CB-CD2 4.34Å; L79-L84 HydrophobicContact CB-CG 4.32Å; L79-L84 HydrophobicContact CD2-CD2 4.34Å; L79-M87 HydrophobicContact CD2-SD 4.43Å
80	D	83.4	Confident	88.1	Confident	52 Å²	52	60 Å²	60	28%	0.278	32%	0.318	S	S	.	.			trans	-71.2	170	170.9	46.5	49.3	0	0	0	111.2	T76 K78 D82 T83 L84	T76-D80 PolarHBondContact OG1-OD2 2.96Å; K78-D80 PolarHBondContact O-N 3.31Å; K78-D80 VanDerWaalsContact O-N 3.13Å; D80-D82 PolarHBondContact O-N 2.9Å; D80-T83 PolarHBondContact O-N 3.23Å; D80-T83 WeakPolarHBondContact OD1-CB 3.43Å; D80-T83 PolarHBondContact OD1-N 2.53Å; D80-T83 PolarHBondContact OD1-OG1 2.72Å; D80-L84 PolarHBondContact O-N 2.65Å; D80-L84 VanDerWaalsContact O-N 3.09Å
81	S	86.4	Confident	88.5	Confident	87 Å²	87	58.5 Å²	58.5	61%	0.608	31%	0.312	S	S	*	.	H	α-helix	trans	-52.6	-42.2	-179.4	46	0	0	0	0	111.8	L84 E85	S81-L84 PolarHBondContact O-N 2.68Å; S81-E85 WeakPolarHBondContact O-CB 3.22Å; S81-E85 PolarHBondContact O-N 3.31Å
82	D	83.1	Confident	88.9	Confident	97 Å²	97	58.5 Å²	58.5	52%	0.519	31%	0.312	S	S	.	.	H	α-helix	trans	-72.3	-41.3	-172.7	-57.3	6.7	0	0	0	110.2	D80 L84 E85 V86	D80-D82 PolarHBondContact O-N 2.9Å; D82-L84 PolarHBondContact O-N 2.72Å; D82-E85 PolarHBondContact O-N 2.93Å; D82-V86 WeakPolarHBondContact O-CB 3.26Å; D82-V86 WeakPolarHBondContact O-CG2 3.47Å; D82-V86 PolarHBondContact O-N 2.98Å
83	T	88.4	Confident	89.2	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.006	29%	0.29	C	S	.	.	H	α-helix	trans	-60.2	-45.5	173.1	-59.7	0	0	0	0	111.5	M67 Q68 L79 D80 V86 M87	M67-T83 HydrophobicContact CE-CG2 3.75Å; M67-T83 HydrophobicContact SD-CG2 4.33Å; Q68-T83 HydrophobicContact CG-CG2 4.43Å; Q68-T83 PolarHBondContact NE2-OG1 2.92Å; L79-T83 HydrophobicContact CD2-CG2 4.21Å; D80-T83 PolarHBondContact O-N 3.23Å; D80-T83 WeakPolarHBondContact OD1-CB 3.43Å; D80-T83 PolarHBondContact OD1-N 2.53Å; D80-T83 PolarHBondContact OD1-OG1 2.72Å; T83-V86 PolarHBondContact O-N 3.45Å; T83-M87 HydrophobicContact CG2-SD 4.4Å; T83-M87 WeakPolarHBondContact O-CG 3.45Å; T83-M87 PolarHBondContact O-N 3.49Å
84	L	89.3	Confident	89.3	Confident	29 Å²	29	54.7 Å²	54.7	15%	0.152	28%	0.282	C	S	.	.	H	α-helix	trans	-70.9	-33.2	179.9	-71	174.6	0	0	0	112.8	V34 L79 D80 S81 D82 R88	V34-L84 HydrophobicContact CG2-CD2 3.5Å; V34-L84 VanDerWaalsContact CG2-CD2 3.5Å; L79-L84 HydrophobicContact CB-CD2 4.34Å; L79-L84 HydrophobicContact CB-CG 4.32Å; L79-L84 HydrophobicContact CD2-CD2 4.34Å; D80-L84 PolarHBondContact O-N 2.65Å; D80-L84 VanDerWaalsContact O-N 3.09Å; S81-L84 PolarHBondContact O-N 2.68Å; D82-L84 PolarHBondContact O-N 2.72Å; L84-R88 WeakPolarHBondContact O-CG 3.13Å; L84-R88 PolarHBondContact O-N 3.25Å
85	E	87.2	Confident	89.1	Confident	115 Å²	115	49.4 Å²	49.4	54%	0.537	26%	0.261	S	S	.	.	H	α-helix	trans	-64.1	-44.8	173.5	-172.5	-176	149.8	0	0	110.5	S81 D82 R88 K89	S81-E85 WeakPolarHBondContact O-CB 3.22Å; S81-E85 PolarHBondContact O-N 3.31Å; D82-E85 PolarHBondContact O-N 2.93Å; E85-R88 PolarHBondContact O-N 2.85Å; E85-K89 PolarHBondContact O-N 2.98Å
86	V	89.3	Confident	88.5	Confident	13 Å²	13	46.4 Å²	46.4	8%	0.079	24%	0.243	C	C	.	.	H	α-helix	trans	-64.5	-41.2	178.4	164.8	0	0	0	0	112.7	L71 L73 D82 T83 R88 K89 L239	L71-V86 HydrophobicContact CB-CG1 4.34Å; L71-V86 HydrophobicContact CD1-CG1 3.49Å; L71-V86 VanDerWaalsContact CD1-CG1 3.49Å; L71-V86 HydrophobicContact CG-CG1 4.49Å; L73-V86 HydrophobicContact CD1-CB 4.16Å; L73-V86 HydrophobicContact CD1-CG1 4.21Å; L73-V86 HydrophobicContact CD1-CG2 4.16Å; L73-V86 HydrophobicContact CD2-CG2 4.04Å; D82-V86 WeakPolarHBondContact O-CB 3.26Å; D82-V86 WeakPolarHBondContact O-CG2 3.47Å; D82-V86 PolarHBondContact O-N 2.98Å; T83-V86 PolarHBondContact O-N 3.45Å; V86-R88 PolarHBondContact O-N 2.88Å; V86-K89 WeakPolarHBondContact O-CB 3.37Å; V86-K89 PolarHBondContact O-N 3.21Å; V86-K89 VanDerWaalsContact O-N 3.13Å; V86-L239 HydrophobicContact CG1-CD1 3.66Å
87	M	89.9	Confident	87.5	Confident	3 Å²	3	45.8 Å²	45.8	2%	0.015	24%	0.239	C	C	.	.	H	α-helix	trans	-60.7	-28.9	177	-74.9	176.7	140.3	0	0	113	F33 V34 Y37 L38 M67 L79 T83 K89	F33-M87 HydrophobicContact CE1-CB 3.64Å; F33-M87 HydrophobicContact CZ-CB 3.88Å; F33-M87 WeakPolarHBondContact CZ-O 3.25Å; V34-M87 HydrophobicContact CB-SD 4.41Å; V34-M87 HydrophobicContact CG1-CE 3.99Å; V34-M87 HydrophobicContact CG1-SD 4.25Å; V34-M87 HydrophobicContact CG2-SD 3.89Å; Y37-M87 HydrophobicContact CD1-CE 3.39Å; Y37-M87 HydrophobicContact CD1-CG 3.91Å; Y37-M87 HydrophobicContact CD1-SD 4.36Å; Y37-M87 HydrophobicContact CD2-CB 3.94Å; Y37-M87 HydrophobicContact CD2-CG 4.11Å; Y37-M87 WeakPolarHBondContact CD2-O 3.34Å; Y37-M87 HydrophobicContact CE1-CE 4.06Å; Y37-M87 HydrophobicContact CE1-CG 3.94Å; Y37-M87 HydrophobicContact CE2-CB 4Å; Y37-M87 HydrophobicContact CE2-CG 4.16Å; Y37-M87 WeakPolarHBondContact CE2-O 3.48Å; Y37-M87 HydrophobicContact CG-CB 4.27Å; Y37-M87 HydrophobicContact CG-CE 3.88Å; Y37-M87 HydrophobicContact CG-CG 4Å; Y37-M87 HydrophobicContact CG-SD 4.43Å; L38-M87 HydrophobicContact CD2-CE 3.82Å; L38-M87 HydrophobicContact CG-CE 3.92Å; M67-M87 HydrophobicContact CE-CE 3.62Å; M67-M87 HydrophobicContact CE-CG 3.18Å; M67-M87 HydrophobicContact CE-SD 3.86Å; L79-M87 HydrophobicContact CD2-SD 4.43Å; T83-M87 HydrophobicContact CG2-SD 4.4Å; T83-M87 WeakPolarHBondContact O-CG 3.45Å; T83-M87 PolarHBondContact O-N 3.49Å; M87-K89 VanDerWaalsContact C-N 3.35Å
88	R	89.7	Confident	86	Confident	131 Å²	131	47.7 Å²	47.7	49%	0.494	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-0.3	-179.7	-68	-177.7	-173.9	112.1	-1.4	113.7	F33 L84 E85 V86	F33-R88 HydrophobicContact CE1-CG 3.76Å; F33-R88 HydrophobicContact CZ-CB 4.48Å; F33-R88 HydrophobicContact CZ-CG 3.66Å; L84-R88 WeakPolarHBondContact O-CG 3.13Å; L84-R88 PolarHBondContact O-N 3.25Å; E85-R88 PolarHBondContact O-N 2.85Å; V86-R88 PolarHBondContact O-N 2.88Å
89	K	90.6	Very high	83.7	Confident	84 Å²	84	48.1 Å²	48.1	37%	0.365	26%	0.262	S	S	.	.	S	Bend	trans	-74	140	176.5	-70.8	-176.9	179.1	179.3	0	109.6	E85 V86 M87 L239	E85-K89 PolarHBondContact O-N 2.98Å; V86-K89 WeakPolarHBondContact O-CB 3.37Å; V86-K89 PolarHBondContact O-N 3.21Å; V86-K89 VanDerWaalsContact O-N 3.13Å; M87-K89 VanDerWaalsContact C-N 3.35Å; K89-L239 HydrophobicContact CD-CD1 4.4Å
90	P	94.4	Very high	81.5	Confident	35 Å²	35	47.7 Å²	47.7	23%	0.227	26%	0.258	C	S	.	.			trans	-56.2	143.6	172.2	-14.6	22.9	0	0	0	110.5	G178 N179 L181 I210 Y240	P90-G178 WeakPolarHBondContact CA-O 3.45Å; P90-G178 WeakPolarHBondContact CB-O 3.38Å; P90-G178 VanDerWaalsContact CG-O 3.29Å; P90-G178 WeakPolarHBondContact CG-O 3.47Å; P90-N179 CarbonylContact C-O 3.54Å; P90-N179 WeakPolarHBondContact CA-O 3.27Å; P90-L181 HydrophobicContact CB-CD1 3.89Å; P90-L181 HydrophobicContact CB-CD2 3.8Å; P90-L181 HydrophobicContact CB-CG 3.91Å; P90-I210 HydrophobicContact CB-CD1 4.46Å; P90-I210 HydrophobicContact CG-CD1 4.47Å; P90-Y240 WeakPolarHBondContact O-CB 3.24Å; P90-Y240 PolarHBondContact O-N 3.17Å
91	R	95.3	Very high	79.2	Confident	4 Å²	4	48.5 Å²	48.5	2%	0.015	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	169.7	-172.1	62.5	164.4	-69.9	152	8.8	113.1	Y37 V94 D96 N179 L181 P238 L239	Y37-R91 PolarHBondContact OH-NH1 3Å; Y37-R91 VanDerWaalsContact OH-NH1 3.17Å; R91-V94 PolarHBondContact NH2-O 3.13Å; R91-D96 IonicContact CZ-OD1 2.75Å; R91-D96 IonicContact CZ-OD2 3.96Å; R91-D96 IonicContact NH1-OD1 3.83Å; R91-D96 IonicContact NH1-OD2 2.74Å; R91-D96 PolarHBondContact NH1-OD2 3.43Å; R91-D96 VanDerWaalsContact NH2-CG 3.34Å; R91-D96 IonicContact NH2-OD1 3.63Å; R91-D96 PolarHBondContact NH2-OD1 3.22Å; R91-D96 IonicContact NH2-OD2 2.66Å; R91-D96 PolarHBondContact NH2-OD2 3.06Å; R91-N179 PolarHBondContact N-O 3.05Å; R91-L181 PolarHBondContact O-N 2.66Å; R91-P238 CarbonylContact C-O 3.23Å; R91-P238 WeakPolarHBondContact CA-O 3.43Å; R91-P238 WeakPolarHBondContact CB-O 3.36Å; R91-L239 HydrophobicContact CB-CD2 3.86Å
92	C	96.1	Very high	77	Confident	5 Å²	5	45.3 Å²	45.3	3%	0.034	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	142.6	165.1	179.2	0	0	0	0	111	V94 H218 E219 H228 P238	C92-V94 VanDerWaalsContact C-N 3.26Å; C92-V94 PolarHBondContact O-N 3.27Å; C92-V94 PolarHBondContact SG-N 3.19Å; C92-V94 VanDerWaalsContact SG-N 3.42Å; C92-H218 WeakPolarHBondContact CB-NE2 3.32Å; C92-E219 PolarHBondContact SG-OE1 3.28Å; C92-E219 PolarHBondContact SG-OE2 2.92Å; C92-E219 VanDerWaalsContact SG-OE2 3.41Å; C92-H228 WeakPolarHBondContact CB-NE2 3.36Å; C92-P238 PolarHBondContact N-O 2.77Å
93	G	92.1	Very high	74.7	Confident	16 Å²	16	43 Å²	43	17%	0.165	23%	0.228	C	C	.	.	S	Bend	trans	-74.6	-11.1	179.5	0	0	0	0	0	114.7	V180 A182	G93-V180 VanDerWaalsContact CA-CG1 3.49Å; G93-A182 PolarHBondContact N-O 3.33Å
94	V	89.3	Confident	71.9	Confident	8 Å²	8	47.2 Å²	47.2	5%	0.048	26%	0.255	C	S	.	.	S	Bend	trans	-69	140.7	177.9	172.6	0	0	0	0	110.8	R91 C92 F100 H183 H228	R91-V94 PolarHBondContact NH2-O 3.13Å; C92-V94 VanDerWaalsContact C-N 3.26Å; C92-V94 PolarHBondContact O-N 3.27Å; C92-V94 PolarHBondContact SG-N 3.19Å; C92-V94 VanDerWaalsContact SG-N 3.42Å; V94-F100 HydrophobicContact CG1-CE2 3.35Å; V94-F100 HydrophobicContact CG1-CZ 3.32Å; V94-F100 HydrophobicContact CG2-CZ 4.38Å; V94-H183 HydrophobicContact CG2-CB 4.15Å; V94-H228 PolarHBondContact O-CE1 2.9Å
95	P	85.4	Confident	70	Confident	51 Å²	51	48.9 Å²	48.9	33%	0.331	28%	0.279	S	S	.	.			trans	-64.4	145.9	175.4	-23	33.6	0	0	0	114.4
96	D	80.3	Confident	68.5	Low	15 Å²	15	49.3 Å²	49.3	8%	0.08	28%	0.283	C	S	.	.	S	Bend	trans	-83.7	-31.7	179.6	-61.7	-30.7	0	0	0	112.5	Y41 Y42 F70 R91 H228 P238	Y41-D96 PolarHBondContact O-N 3.21Å; Y42-D96 HydrophobicContact CE1-CB 3.89Å; Y42-D96 HydrophobicContact CE2-CB 4.21Å; Y42-D96 VanDerWaalsContact CE2-OD2 3.26Å; Y42-D96 WeakPolarHBondContact CE2-OD2 3.29Å; Y42-D96 PolarHBondContact OH-OD2 3.47Å; F70-D96 HydrophobicContact CD1-CB 3.99Å; F70-D96 HydrophobicContact CE1-CB 3.89Å; F70-D96 HydrophobicContact CE2-CB 4.49Å; F70-D96 HydrophobicContact CG-CB 4.36Å; F70-D96 HydrophobicContact CZ-CB 4.15Å; R91-D96 IonicContact CZ-OD1 2.75Å; R91-D96 IonicContact CZ-OD2 3.96Å; R91-D96 IonicContact NH1-OD1 3.83Å; R91-D96 IonicContact NH1-OD2 2.74Å; R91-D96 PolarHBondContact NH1-OD2 3.43Å; R91-D96 VanDerWaalsContact NH2-CG 3.34Å; R91-D96 IonicContact NH2-OD1 3.63Å; R91-D96 PolarHBondContact NH2-OD1 3.22Å; R91-D96 IonicContact NH2-OD2 2.66Å; R91-D96 PolarHBondContact NH2-OD2 3.06Å; D96-H228 IonicContact OD1-CE1 3.69Å; D96-H228 PolarHBondContact OD1-CE1 3.34Å; D96-H228 IonicContact OD1-CG 2.62Å; D96-H228 IonicContact OD1-ND1 3.43Å; D96-H228 PolarHBondContact OD1-ND1 3.43Å; D96-P238 VanDerWaalsContact OD1-CB 3.32Å; D96-P238 WeakPolarHBondContact OD1-CB 3.28Å
97	V	69.1	Low	67.5	Low	23 Å²	23	49.3 Å²	49.3	14%	0.139	28%	0.284	C	S	.	.	S	Bend	trans	-135.5	166.4	175.8	-56.2	0	0	0	0	109.7	Y41 Y42 E66 F70	Y41-V97 PolarHBondContact O-N 3.17Å; Y42-V97 VanDerWaalsContact CA-CG2 3.44Å; Y42-V97 HydrophobicContact CD1-CB 4.39Å; Y42-V97 HydrophobicContact CD1-CG1 4.06Å; Y42-V97 HydrophobicContact CD1-CG2 3.42Å; Y42-V97 VanDerWaalsContact CD1-CG2 3.42Å; Y42-V97 HydrophobicContact CE1-CG1 4.03Å; Y42-V97 HydrophobicContact CE1-CG2 4.19Å; Y42-V97 HydrophobicContact CG-CG2 4.02Å; E66-V97 HydrophobicContact CG-CG1 4.12Å; E66-V97 HydrophobicContact CG-CG2 4.46Å; F70-V97 HydrophobicContact CD2-CG1 4.39Å
98	G	53.2	Low	67.2	Low	46 Å²	46	53.9 Å²	53.9	47%	0.474	30%	0.304	S	S	.	.	S	Bend	trans	85.3	107.2	-156.9	0	0	0	0	0	106	F100	G98-F100 PolarHBondContact O-N 2.9Å
99	H	39.7	Very low	67	Low	148 Å²	148	48.6 Å²	48.6	69%	0.685	28%	0.284	S	S	*	.			trans	-52.5	139.9	179.3	-68.1	-98.8	0	0	0	109	T101	H99-T101 HydrophobicContact CB-CG2 3.23Å; H99-T101 WeakPolarHBondContact CB-OG1 3.49Å; H99-T101 PolarHBondContact O-N 2.71Å; H99-T101 PolarHBondContact O-OG1 3.02Å
100	F	39.7	Very low	66.8	Low	38 Å²	38	55.7 Å²	55.7	17%	0.167	31%	0.308	C	S	.	.			trans	-58.1	55.5	137.9	-63.7	-116.9	0	0	0	109.4	V94 G98 T102 A186 F227	V94-F100 HydrophobicContact CG1-CE2 3.35Å; V94-F100 HydrophobicContact CG1-CZ 3.32Å; V94-F100 HydrophobicContact CG2-CZ 4.38Å; G98-F100 PolarHBondContact O-N 2.9Å; F100-T102 PolarHBondContact O-N 3.43Å; F100-A186 HydrophobicContact CD1-CB 3.85Å; F100-A186 HydrophobicContact CE1-CB 4.05Å; F100-F227 HydrophobicContact CB-CD1 4.36Å; F100-F227 HydrophobicContact CB-CE1 3.37Å; F100-F227 HydrophobicContact CB-CZ 3.47Å; F100-F227 VanDerWaalsContact CB-CZ 3.47Å; F100-F227 AromaticContact CD2-CD1 3.33Å; F100-F227 HydrophobicContact CD2-CD1 3.33Å; F100-F227 AromaticContact CD2-CE1 3.22Å; F100-F227 HydrophobicContact CD2-CE1 3.22Å; F100-F227 HydrophobicContact CD2-CG 4.26Å; F100-F227 HydrophobicContact CD2-CZ 4.03Å; F100-F227 AromaticContact CE2-CD1 3.91Å; F100-F227 HydrophobicContact CE2-CD1 3.91Å; F100-F227 HydrophobicContact CE2-CE1 4.23Å; F100-F227 HydrophobicContact CG-CD1 4.18Å; F100-F227 AromaticContact CG-CE1 3.65Å; F100-F227 HydrophobicContact CG-CE1 3.65Å; F100-F227 HydrophobicContact CG-CZ 4.05Å
101	T	35.5	Very low	66.4	Low	70 Å²	70	58.5 Å²	58.5	43%	0.429	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	43.5	160.5	43.2	0	0	0	0	108	H99 S330	H99-T101 HydrophobicContact CB-CG2 3.23Å; H99-T101 WeakPolarHBondContact CB-OG1 3.49Å; H99-T101 PolarHBondContact O-N 2.71Å; H99-T101 PolarHBondContact O-OG1 3.02Å; T101-S330 WeakPolarHBondContact O-CB 3.48Å
102	T	39.3	Very low	66.3	Low	19 Å²	19	61.9 Å²	61.9	12%	0.117	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-20.3	167.7	54.9	0	0	0	0	108.9	F100 L328 S330 S331	F100-T102 PolarHBondContact O-N 3.43Å; T102-L328 WeakPolarHBondContact O-CB 3.45Å; T102-L328 WeakPolarHBondContact O-CD1 3.47Å; T102-S330 PolarHBondContact O-OG 2.81Å; T102-S331 WeakPolarHBondContact CB-OG 3.27Å; T102-S331 VanDerWaalsContact CG2-CA 3.44Å
103	F	35.7	Very low	66.3	Low	50 Å²	50	66 Å²	66	22%	0.219	36%	0.356	C	S	.	.	S	Bend	trans	-134.6	139.3	172.2	-54.4	-95.3	0	0	0	111.1	G105 L328	F103-G105 PolarHBondContact O-N 2.84Å; F103-L328 HydrophobicContact CB-CD1 4.2Å; F103-L328 HydrophobicContact CD1-CD1 3.05Å; F103-L328 HydrophobicContact CD1-CG 4.3Å; F103-L328 HydrophobicContact CE1-CD1 3.35Å; F103-L328 HydrophobicContact CE1-CG 4.21Å; F103-L328 HydrophobicContact CG-CD1 3.74Å; F103-L328 HydrophobicContact CZ-CD1 4.27Å
104	P	29.8	Very low	66.6	Low	89 Å²	89	65.2 Å²	65.2	58%	0.578	35%	0.349	S	S	*	.	S	Bend	trans	-69.3	115.3	163.5	2	11.7	0	0	0	108.8
105	G	48.3	Very low	67	Low	64 Å²	64	65.9 Å²	65.9	66%	0.66	35%	0.353	S	S	*	.	S	Bend	trans	126.3	-158.9	175.6	0	0	0	0	0	113.3	F103	F103-G105 PolarHBondContact O-N 2.84Å
106	I	55.1	Low	67.7	Low	123 Å²	123	64.2 Å²	64.2	63%	0.631	34%	0.34	S	S	*	.			trans	-97.2	109.6	-179.9	-64.4	174.2	0	0	0	106.9	K108 L262	I106-K108 PolarHBondContact O-N 2.05Å; I106-K108 VanDerWaalsContact O-N 3.11Å; I106-L262 HydrophobicContact CB-CD2 4.48Å; I106-L262 HydrophobicContact CG2-CD2 2.97Å; I106-L262 HydrophobicContact CG2-CG 4.44Å
107	P	69.8	Low	68.5	Low	14 Å²	14	66.4 Å²	66.4	9%	0.091	35%	0.347	C	S	.	.			trans	-65	113.4	-177	26.4	-32.2	0	0	0	109.4	A186 G225 F227	P107-A186 HydrophobicContact CB-CB 4.28Å; P107-G225 WeakPolarHBondContact O-CA 3.23Å; P107-F227 HydrophobicContact CG-CE2 3.89Å; P107-F227 HydrophobicContact CG-CZ 4.41Å
108	K	81.9	Confident	70	Confident	98 Å²	98	65.9 Å²	65.9	43%	0.426	34%	0.343	S	S	.	.			trans	-152.4	138.3	-170.8	-175.9	-161.2	169.6	164.9	0	110.1	I106 L262 Y263	I106-K108 PolarHBondContact O-N 2.05Å; I106-K108 VanDerWaalsContact O-N 3.11Å; K108-L262 WeakPolarHBondContact CD-O 3.14Å; K108-L262 WeakPolarHBondContact CE-O 3.1Å; K108-L262 HydrophobicContact CG-CB 4.34Å; K108-L262 PolarHBondContact NZ-O 2.95Å; K108-Y263 HydrophobicContact CD-CD1 4.33Å; K108-Y263 HydrophobicContact CD-CE1 4.15Å; K108-Y263 VanDerWaalsContact CE-CD1 3.46Å; K108-Y263 HydrophobicContact CG-CD1 3.97Å; K108-Y263 HydrophobicContact CG-CE1 3.34Å; K108-Y263 HydrophobicContact CG-CE2 4.42Å
109	W	86.2	Confident	72.1	Confident	21 Å²	21	66.9 Å²	66.9	8%	0.08	34%	0.34	C	S	.	.			trans	-62.4	136.4	167.9	-67.9	105.6	0	0	0	111.8	K111 L114 D158 I159 P187 G188 S223 Y263	W109-K111 PolarHBondContact O-N 3.27Å; W109-L114 HydrophobicContact CB-CD1 4.46Å; W109-L114 HydrophobicContact CB-CD2 3.85Å; W109-L114 VanDerWaalsContact CD1-CD1 3.48Å; W109-L114 HydrophobicContact CD2-CD2 3.7Å; W109-L114 HydrophobicContact CE3-CD2 4.16Å; W109-L114 HydrophobicContact CG-CD1 3.93Å; W109-L114 HydrophobicContact CG-CD2 3.55Å; W109-L114 HydrophobicContact CG-CG 4.39Å; W109-D158 HydrophobicContact CH2-CB 3.99Å; W109-D158 WeakPolarHBondContact CH2-O 3.5Å; W109-D158 HydrophobicContact CZ2-CB 4.26Å; W109-D158 WeakPolarHBondContact CZ2-O 3.04Å; W109-D158 HydrophobicContact CZ3-CB 4.32Å; W109-I159 HydrophobicContact CZ2-CG1 4.43Å; W109-P187 HydrophobicContact CD2-CB 3.76Å; W109-P187 HydrophobicContact CE3-CB 4.4Å; W109-P187 HydrophobicContact CG-CB 3.9Å; W109-P187 HydrophobicContact CG-CG 4.31Å; W109-P187 HydrophobicContact CZ2-CB 4.17Å; W109-G188 WeakPolarHBondContact CH2-O 3.49Å; W109-G188 VanDerWaalsContact CZ3-O 3.31Å; W109-G188 WeakPolarHBondContact CZ3-O 3.41Å; W109-S223 PolarHBondContact NE1-O 2.8Å; W109-Y263 HydrophobicContact CB-CE1 4.17Å; W109-Y263 PolarHBondContact N-OH 3.19Å
110	R	85.8	Confident	74.8	Confident	233 Å²	233	62.7 Å²	62.7	88%	0.879	32%	0.323	S	S	*	.	S	Bend	trans	-74.1	-18.4	177.5	-64.9	-173.3	-179.4	-165.8	2.3	113.3
111	K	87.6	Confident	77.6	Confident	94 Å²	94	63.4 Å²	63.4	41%	0.409	33%	0.325	S	S	.	.			trans	-113.9	156	179	63.6	-176.4	-173.1	178.2	0	109.7	W109 H113 L114 D158	W109-K111 PolarHBondContact O-N 3.27Å; K111-H113 VanDerWaalsContact CD-O 3.3Å; K111-H113 WeakPolarHBondContact CD-O 3.43Å; K111-H113 VanDerWaalsContact CE-O 3.32Å; K111-H113 WeakPolarHBondContact CE-O 3.36Å; K111-H113 WeakPolarHBondContact CG-O 3.38Å; K111-L114 HydrophobicContact CD-CD2 4.46Å; K111-L114 HydrophobicContact CG-CD2 3.88Å; K111-D158 WeakPolarHBondContact CE-OD1 3.31Å; K111-D158 WeakPolarHBondContact CE-OD2 3.45Å; K111-D158 IonicContact NZ-OD1 3.93Å; K111-D158 PolarHBondContact NZ-OD1 2.8Å; K111-D158 IonicContact NZ-OD2 2.84Å; K111-D158 PolarHBondContact NZ-OD2 3.37Å
112	T	92	Very high	80.5	Confident	75 Å²	75	60.3 Å²	60.3	46%	0.46	31%	0.306	S	S	.	.	S	Bend	trans	-101.2	-17.7	178.1	52.5	0	0	0	0	113.2	L147 T148	T112-L147 HydrophobicContact CG2-CD2 4.33Å; T112-L147 CarbonylContact O-C 3.54Å; T112-L147 VanDerWaalsContact O-CA 3.26Å; T112-L147 WeakPolarHBondContact O-CA 3.34Å; T112-T148 PolarHBondContact O-N 2.8Å
113	H	97.4	Very high	83.3	Confident	90 Å²	90	68.6 Å²	68.6	42%	0.417	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	113.2	168.8	-169.2	73.8	0	0	0	109.3	K111 T148 S150	K111-H113 VanDerWaalsContact CD-O 3.3Å; K111-H113 WeakPolarHBondContact CD-O 3.43Å; K111-H113 VanDerWaalsContact CE-O 3.32Å; K111-H113 WeakPolarHBondContact CE-O 3.36Å; K111-H113 WeakPolarHBondContact CG-O 3.38Å; H113-T148 WeakPolarHBondContact CA-O 3.44Å; H113-T148 PolarHBondContact ND1-OG1 2.86Å; H113-S150 PolarHBondContact NE2-OG 3.36Å
114	L	98	Very high	86.2	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	151.9	179.8	-60.6	175.6	0	0	0	110.1	W109 K111 L147 T148 F149 S150 D158 L224	W109-L114 HydrophobicContact CB-CD1 4.46Å; W109-L114 HydrophobicContact CB-CD2 3.85Å; W109-L114 VanDerWaalsContact CD1-CD1 3.48Å; W109-L114 HydrophobicContact CD2-CD2 3.7Å; W109-L114 HydrophobicContact CE3-CD2 4.16Å; W109-L114 HydrophobicContact CG-CD1 3.93Å; W109-L114 HydrophobicContact CG-CD2 3.55Å; W109-L114 HydrophobicContact CG-CG 4.39Å; K111-L114 HydrophobicContact CD-CD2 4.46Å; K111-L114 HydrophobicContact CG-CD2 3.88Å; L114-L147 HydrophobicContact CD1-CD2 4.43Å; L114-T148 PolarHBondContact N-O 2.85Å; L114-F149 HydrophobicContact CB-CD1 3.79Å; L114-F149 HydrophobicContact CB-CE1 3.89Å; L114-F149 HydrophobicContact CD1-CD1 4.48Å; L114-F149 HydrophobicContact CD1-CE1 3.72Å; L114-F149 HydrophobicContact CD1-CZ 4.2Å; L114-F149 HydrophobicContact CG-CE1 4.35Å; L114-F149 CarbonylContact O-C 3.52Å; L114-F149 VanDerWaalsContact O-CA 3.26Å; L114-F149 WeakPolarHBondContact O-CA 3.48Å; L114-S150 PolarHBondContact O-N 2.93Å; L114-D158 HydrophobicContact CD2-CB 4.32Å; L114-L224 HydrophobicContact CD1-CD2 3.46Å; L114-L224 VanDerWaalsContact CD1-CD2 3.46Å
115	T	98.3	Very high	89.5	Confident	22 Å²	22	66.6 Å²	66.6	14%	0.135	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	142.2	174.7	52.2	0	0	0	0	109.5	S150 L152 A157 D158 I159	T115-S150 CarbonylContact C-O 3.58Å; T115-S150 VanDerWaalsContact CA-O 3.23Å; T115-S150 WeakPolarHBondContact CA-O 3.25Å; T115-S150 WeakPolarHBondContact CG2-OG 3.13Å; T115-L152 HydrophobicContact CG2-CD1 4Å; T115-L152 HydrophobicContact CG2-CD2 4.26Å; T115-L152 HydrophobicContact CG2-CG 4.07Å; T115-A157 WeakPolarHBondContact OG1-CA 3.34Å; T115-D158 PolarHBondContact N-OD2 2.89Å; T115-D158 WeakPolarHBondContact O-CB 3.37Å; T115-D158 PolarHBondContact O-N 3.31Å; T115-D158 PolarHBondContact OG1-N 2.71Å; T115-D158 PolarHBondContact OG1-OD2 3.47Å; T115-I159 PolarHBondContact O-N 2.88Å
116	Y	98.7	Very high	91.8	Very high	16 Å²	16	67.3 Å²	67.3	6%	0.063	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	153.2	171.6	75.4	-84.5	0	0	0	111.2	I134 V138 F149 S150 R151 L152 I159 I161	Y116-I134 HydrophobicContact CD2-CG2 3.94Å; Y116-I134 HydrophobicContact CE2-CG2 3.6Å; Y116-V138 HydrophobicContact CD1-CG2 4.26Å; Y116-V138 HydrophobicContact CE1-CG2 4.26Å; Y116-F149 HydrophobicContact CD1-CB 4.3Å; Y116-F149 HydrophobicContact CE1-CB 4.45Å; Y116-S150 PolarHBondContact N-O 3.06Å; Y116-R151 HydrophobicContact CD1-CB 4.46Å; Y116-R151 HydrophobicContact CD2-CG 4.39Å; Y116-R151 HydrophobicContact CE1-CB 3.84Å; Y116-R151 HydrophobicContact CE2-CB 4.08Å; Y116-R151 HydrophobicContact CE2-CG 3.87Å; Y116-R151 CarbonylContact O-C 3.59Å; Y116-R151 WeakPolarHBondContact O-CA 3.38Å; Y116-L152 PolarHBondContact O-N 2.71Å; Y116-I159 CarbonylContact C-O 3.59Å; Y116-I159 WeakPolarHBondContact CA-O 3.27Å; Y116-I161 HydrophobicContact CD2-CD1 4.03Å
117	R	98.4	Very high	93.9	Very high	61 Å²	61	67.3 Å²	67.3	23%	0.23	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	131.2	177.2	176.6	172.5	177.3	-144.9	-8.6	110.5	L152 G155 A157 I159 M160 I161	R117-L152 HydrophobicContact CB-CB 4.47Å; R117-L152 WeakPolarHBondContact CG-O 3.26Å; R117-G155 VanDerWaalsContact CD-O 3.31Å; R117-G155 WeakPolarHBondContact CD-O 3.32Å; R117-G155 PolarHBondContact NH1-O 2.86Å; R117-A157 HydrophobicContact CB-CB 3.74Å; R117-I159 PolarHBondContact N-O 2.81Å; R117-M160 HydrophobicContact CB-SD 3.95Å; R117-I161 PolarHBondContact O-N 2.88Å
118	I	98.6	Very high	95.2	Very high	12 Å²	12	72.4 Å²	72.4	6%	0.062	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	115.7	167.8	-57.5	166.8	0	0	0	106.9	N120 Y121 D131 I134 I161	I118-N120 WeakPolarHBondContact CG2-O 3.4Å; I118-Y121 HydrophobicContact CD1-CE1 4.36Å; I118-Y121 HydrophobicContact CG2-CD1 4.23Å; I118-Y121 HydrophobicContact CG2-CD2 4.27Å; I118-Y121 HydrophobicContact CG2-CE1 3.79Å; I118-Y121 HydrophobicContact CG2-CE2 3.8Å; I118-Y121 HydrophobicContact CG2-CG 4.45Å; I118-D131 VanDerWaalsContact CD1-OD1 3.23Å; I118-D131 WeakPolarHBondContact CD1-OD1 3.47Å; I118-I134 HydrophobicContact CD1-CB 4.12Å; I118-I134 HydrophobicContact CD1-CG1 4Å; I118-I134 HydrophobicContact CD1-CG2 4.3Å; I118-I134 HydrophobicContact CG1-CG1 4.39Å; I118-I134 HydrophobicContact CG1-CG2 4.41Å; I118-I161 HydrophobicContact CG1-CB 4.48Å
119	V	97.3	Very high	95.9	Very high	67 Å²	67	68.7 Å²	68.7	41%	0.406	33%	0.334	S	S	.	.			trans	-81.5	-43.5	-172.8	179.7	0	0	0	0	111	M160 I161	V119-M160 HydrophobicContact CG2-CB 4.01Å; V119-M160 HydrophobicContact CG2-CE 3.65Å; V119-I161 PolarHBondContact N-O 2.85Å
120	N	97.4	Very high	96.5	Very high	60 Å²	60	67.7 Å²	67.7	32%	0.321	33%	0.33	S	S	.	.			trans	-147.9	174.8	177.3	67.1	-27.7	0	0	0	109.9	I118 S162 F163	I118-N120 WeakPolarHBondContact CG2-O 3.4Å; N120-S162 WeakPolarHBondContact OD1-CA 3.36Å; N120-S162 VanDerWaalsContact OD1-CB 3.31Å; N120-S162 WeakPolarHBondContact OD1-CB 3.46Å; N120-F163 PolarHBondContact ND2-O 2.8Å; N120-F163 VanDerWaalsContact O-CD2 3.32Å; N120-F163 WeakPolarHBondContact O-CD2 3.49Å; N120-F163 PolarHBondContact OD1-N 2.83Å
121	Y	98.3	Very high	97.1	Very high	54 Å²	54	58.4 Å²	58.4	21%	0.212	30%	0.298	C	S	.	.			trans	-128.9	140.6	-174.2	-69.7	-94.6	0	0	0	110.5	I118 E127 I130 D131 R151	I118-Y121 HydrophobicContact CD1-CE1 4.36Å; I118-Y121 HydrophobicContact CG2-CD1 4.23Å; I118-Y121 HydrophobicContact CG2-CD2 4.27Å; I118-Y121 HydrophobicContact CG2-CE1 3.79Å; I118-Y121 HydrophobicContact CG2-CE2 3.8Å; I118-Y121 HydrophobicContact CG2-CG 4.45Å; Y121-E127 HydrophobicContact CD1-CB 3.98Å; Y121-E127 HydrophobicContact CD1-CG 3.82Å; Y121-E127 HydrophobicContact CD2-CG 4.28Å; Y121-E127 HydrophobicContact CE1-CB 3.95Å; Y121-E127 HydrophobicContact CE1-CG 4.2Å; Y121-E127 HydrophobicContact CG-CG 3.87Å; Y121-I130 HydrophobicContact CD1-CB 3.83Å; Y121-I130 HydrophobicContact CD1-CD1 3.65Å; Y121-I130 HydrophobicContact CD1-CG1 4.34Å; Y121-I130 HydrophobicContact CD1-CG2 3.63Å; Y121-I130 HydrophobicContact CE1-CB 4.01Å; Y121-I130 HydrophobicContact CE1-CG2 3.74Å; Y121-I130 HydrophobicContact CG-CD1 4.39Å; Y121-D131 VanDerWaalsContact CE1-OD1 3.24Å; Y121-D131 WeakPolarHBondContact CE1-OD1 3.35Å; Y121-D131 PolarHBondContact OH-OD1 3.49Å; Y121-R151 PolarHBondContact OH-NH2 2.76Å
122	T	97.4	Very high	97.6	Very high	5 Å²	5	56 Å²	56	3%	0.031	29%	0.293	C	S	.	.			trans	-67.9	153.2	165.7	-177	0	0	0	0	111	D124 I130 F163 D199 W203	T122-D124 HydrophobicContact CG2-CB 4.38Å; T122-D124 PolarHBondContact OG1-N 2.83Å; T122-I130 HydrophobicContact CG2-CD1 3.61Å; T122-I130 HydrophobicContact CG2-CG1 4.31Å; T122-F163 HydrophobicContact CG2-CD1 3.99Å; T122-F163 HydrophobicContact CG2-CE1 3.76Å; T122-F163 HydrophobicContact CG2-CZ 4.15Å; T122-D199 WeakPolarHBondContact CA-OD1 3.41Å; T122-D199 WeakPolarHBondContact CB-OD1 3.08Å; T122-D199 PolarHBondContact OG1-OD1 2.82Å; T122-W203 HydrophobicContact CG2-CB 4.29Å; T122-W203 HydrophobicContact CG2-CG 4.36Å
123	Q	97.6	Very high	97.9	Very high	192 Å²	192	53 Å²	53	90%	0.897	28%	0.276	S	S	*	.	S	Bend	trans	-85.4	-8.8	177.1	-63.7	-173.4	17.9	0	0	113.5	L125	Q123-L125 VanDerWaalsContact C-N 3.28Å; Q123-L125 PolarHBondContact O-N 2.71Å
124	D	97.1	Very high	97.9	Very high	77 Å²	77	48.7 Å²	48.7	41%	0.412	26%	0.256	S	S	.	.	S	Bend	trans	-70.1	-27.3	-176.5	-69.1	-16.6	0	0	0	113.3	T122 Q202 W203	T122-D124 HydrophobicContact CG2-CB 4.38Å; T122-D124 PolarHBondContact OG1-N 2.83Å; D124-Q202 WeakPolarHBondContact OD2-CA 3.33Å; D124-W203 HydrophobicContact CB-CB 4.15Å; D124-W203 PolarHBondContact OD2-N 3.24Å
125	L	97.4	Very high	97.9	Very high	20 Å²	20	52.9 Å²	52.9	11%	0.105	28%	0.276	C	S	.	.	S	Bend	trans	-129.6	146.5	-175.7	-68.5	174.1	0	0	0	111	Q123 A129 I130 W203 K205 L212	Q123-L125 VanDerWaalsContact C-N 3.28Å; Q123-L125 PolarHBondContact O-N 2.71Å; L125-A129 HydrophobicContact CB-CB 4.48Å; L125-I130 HydrophobicContact CB-CD1 4.02Å; L125-I130 HydrophobicContact CB-CG1 3.75Å; L125-I130 HydrophobicContact CD1-CG1 4.42Å; L125-I130 WeakPolarHBondContact O-CD1 3.34Å; L125-W203 HydrophobicContact CD1-CB 4.18Å; L125-K205 HydrophobicContact CD2-CB 4.37Å; L125-L212 HydrophobicContact CD1-CB 4.32Å; L125-L212 HydrophobicContact CD1-CD2 4.15Å
126	P	97.9	Very high	97.8	Very high	79 Å²	79	57.4 Å²	57.4	51%	0.513	29%	0.293	S	S	.	.			trans	-56.5	144	166.5	-26	36.5	0	0	0	112	D128 A129 I130	P126-D128 WeakPolarHBondContact CB-OD1 3.33Å; P126-D128 PolarHBondContact O-N 2.92Å; P126-A129 HydrophobicContact CB-CB 4.44Å; P126-A129 WeakPolarHBondContact O-CA 3.37Å; P126-A129 WeakPolarHBondContact O-CB 3.14Å; P126-A129 PolarHBondContact O-N 3.12Å; P126-I130 PolarHBondContact O-N 2.66Å; P126-I130 VanDerWaalsContact O-N 3.12Å
127	E	98	Very high	97.7	Very high	124 Å²	124	56.6 Å²	56.6	58%	0.579	29%	0.29	S	S	*	.	H	α-helix	trans	-55.7	-36.3	-178.4	-65	-176	-175.1	0	0	112.9	Y121 A129 I130 D131	Y121-E127 HydrophobicContact CD1-CB 3.98Å; Y121-E127 HydrophobicContact CD1-CG 3.82Å; Y121-E127 HydrophobicContact CD2-CG 4.28Å; Y121-E127 HydrophobicContact CE1-CB 3.95Å; Y121-E127 HydrophobicContact CE1-CG 4.2Å; Y121-E127 HydrophobicContact CG-CG 3.87Å; E127-A129 VanDerWaalsContact C-N 3.31Å; E127-A129 PolarHBondContact O-N 2.71Å; E127-I130 PolarHBondContact O-N 3.47Å; E127-D131 WeakPolarHBondContact O-CB 3.37Å; E127-D131 VanDerWaalsContact O-CG 3.24Å; E127-D131 PolarHBondContact O-N 3.23Å
128	D	97.6	Very high	97.7	Very high	120 Å²	120	54 Å²	54	64%	0.642	28%	0.281	S	S	*	.	H	α-helix	trans	-67	-31.8	177	66.4	-56.9	0	0	0	112.8	P126 S132	P126-D128 WeakPolarHBondContact CB-OD1 3.33Å; P126-D128 PolarHBondContact O-N 2.92Å; D128-S132 VanDerWaalsContact O-CB 3.29Å; D128-S132 WeakPolarHBondContact O-CB 3.19Å; D128-S132 PolarHBondContact O-N 2.81Å
129	A	97.6	Very high	97.6	Very high	20 Å²	20	57.7 Å²	57.7	17%	0.165	30%	0.297	C	S	.	.	H	α-helix	trans	-71.5	-39.6	174.3	0	0	0	0	0	111.2	L125 P126 E127 S132 A133	L125-A129 HydrophobicContact CB-CB 4.48Å; P126-A129 HydrophobicContact CB-CB 4.44Å; P126-A129 WeakPolarHBondContact O-CA 3.37Å; P126-A129 WeakPolarHBondContact O-CB 3.14Å; P126-A129 PolarHBondContact O-N 3.12Å; E127-A129 VanDerWaalsContact C-N 3.31Å; E127-A129 PolarHBondContact O-N 2.71Å; A129-S132 PolarHBondContact O-N 2.85Å; A129-A133 WeakPolarHBondContact O-CB 3.45Å; A129-A133 PolarHBondContact O-N 2.73Å
130	I	98.4	Very high	97.5	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-64.8	-50.5	175.4	-65.4	164.2	0	0	0	109.7	Y121 T122 L125 P126 E127 S132 A133 I134 F163 L212	Y121-I130 HydrophobicContact CD1-CB 3.83Å; Y121-I130 HydrophobicContact CD1-CD1 3.65Å; Y121-I130 HydrophobicContact CD1-CG1 4.34Å; Y121-I130 HydrophobicContact CD1-CG2 3.63Å; Y121-I130 HydrophobicContact CE1-CB 4.01Å; Y121-I130 HydrophobicContact CE1-CG2 3.74Å; Y121-I130 HydrophobicContact CG-CD1 4.39Å; T122-I130 HydrophobicContact CG2-CD1 3.61Å; T122-I130 HydrophobicContact CG2-CG1 4.31Å; L125-I130 HydrophobicContact CB-CD1 4.02Å; L125-I130 HydrophobicContact CB-CG1 3.75Å; L125-I130 HydrophobicContact CD1-CG1 4.42Å; L125-I130 WeakPolarHBondContact O-CD1 3.34Å; P126-I130 PolarHBondContact O-N 2.66Å; P126-I130 VanDerWaalsContact O-N 3.12Å; E127-I130 PolarHBondContact O-N 3.47Å; I130-S132 VanDerWaalsContact C-N 3.29Å; I130-S132 PolarHBondContact O-N 2.76Å; I130-A133 WeakPolarHBondContact O-CB 3.1Å; I130-A133 PolarHBondContact O-N 2.86Å; I130-I134 HydrophobicContact CG2-CG1 4.47Å; I130-I134 WeakPolarHBondContact O-CG1 3.38Å; I130-I134 PolarHBondContact O-N 2.91Å; I130-F163 HydrophobicContact CG2-CE2 4.06Å; I130-F163 HydrophobicContact CG2-CZ 4.01Å; I130-L212 HydrophobicContact CB-CD2 4.21Å; I130-L212 HydrophobicContact CG1-CD2 3.94Å; I130-L212 HydrophobicContact CG2-CD2 4.03Å
131	D	98.3	Very high	97.5	Very high	38 Å²	38	52.5 Å²	52.5	20%	0.203	27%	0.267	C	S	.	.	H	α-helix	trans	-53.9	-46.3	176	-77.8	-4.8	0	0	0	111.6	I118 Y121 E127 I134 E135 R151	I118-D131 VanDerWaalsContact CD1-OD1 3.23Å; I118-D131 WeakPolarHBondContact CD1-OD1 3.47Å; Y121-D131 VanDerWaalsContact CE1-OD1 3.24Å; Y121-D131 WeakPolarHBondContact CE1-OD1 3.35Å; Y121-D131 PolarHBondContact OH-OD1 3.49Å; E127-D131 WeakPolarHBondContact O-CB 3.37Å; E127-D131 VanDerWaalsContact O-CG 3.24Å; E127-D131 PolarHBondContact O-N 3.23Å; D131-I134 PolarHBondContact O-N 3.43Å; D131-E135 WeakPolarHBondContact O-CB 3.17Å; D131-E135 PolarHBondContact O-N 3.3Å; D131-R151 IonicContact OD1-CZ 2.65Å; D131-R151 IonicContact OD1-NH1 2.71Å; D131-R151 PolarHBondContact OD1-NH1 2.91Å; D131-R151 IonicContact OD1-NH2 3.72Å; D131-R151 PolarHBondContact OD1-NH2 2.88Å; D131-R151 IonicContact OD2-CZ 3.59Å; D131-R151 IonicContact OD2-NH1 3.81Å; D131-R151 PolarHBondContact OD2-NH1 2.85Å; D131-R151 IonicContact OD2-NH2 3.47Å; D131-R151 PolarHBondContact OD2-NH2 2.88Å; D131-R151 VanDerWaalsContact OD2-NH2 3.09Å
132	S	97.6	Very high	97.4	Very high	44 Å²	44	53 Å²	53	31%	0.308	27%	0.272	S	S	.	.	H	α-helix	trans	-66.2	-37.3	177.5	-175.1	0	0	0	0	112.7	D128 A129 I130 K136	D128-S132 VanDerWaalsContact O-CB 3.29Å; D128-S132 WeakPolarHBondContact O-CB 3.19Å; D128-S132 PolarHBondContact O-N 2.81Å; A129-S132 PolarHBondContact O-N 2.85Å; I130-S132 VanDerWaalsContact C-N 3.29Å; I130-S132 PolarHBondContact O-N 2.76Å; S132-K136 WeakPolarHBondContact O-CB 3.45Å; S132-K136 WeakPolarHBondContact O-CD 3.32Å; S132-K136 WeakPolarHBondContact O-CG 3.31Å; S132-K136 PolarHBondContact O-N 2.88Å
133	A	97.6	Very high	97.3	Very high	12 Å²	12	59.8 Å²	59.8	10%	0.099	30%	0.303	C	S	.	.	H	α-helix	trans	-65.3	-46.6	177.4	0	0	0	0	0	111.3	A129 I130 K136 A137 L212 F213	A129-A133 WeakPolarHBondContact O-CB 3.45Å; A129-A133 PolarHBondContact O-N 2.73Å; I130-A133 WeakPolarHBondContact O-CB 3.1Å; I130-A133 PolarHBondContact O-N 2.86Å; A133-K136 PolarHBondContact O-N 2.87Å; A133-A137 WeakPolarHBondContact O-CB 3.41Å; A133-A137 PolarHBondContact O-N 3.48Å; A133-L212 HydrophobicContact CB-CB 4.37Å; A133-L212 HydrophobicContact CB-CD2 4.06Å; A133-L212 HydrophobicContact CB-CG 4.1Å; A133-F213 HydrophobicContact CB-CB 4.14Å
134	I	98.5	Very high	97.1	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-66.2	-44.1	177.9	-60.6	-53.1	0	0	0	111.3	Y116 I118 I130 D131 K136 A137 V138 I161 A216	Y116-I134 HydrophobicContact CD2-CG2 3.94Å; Y116-I134 HydrophobicContact CE2-CG2 3.6Å; I118-I134 HydrophobicContact CD1-CB 4.12Å; I118-I134 HydrophobicContact CD1-CG1 4Å; I118-I134 HydrophobicContact CD1-CG2 4.3Å; I118-I134 HydrophobicContact CG1-CG1 4.39Å; I118-I134 HydrophobicContact CG1-CG2 4.41Å; I130-I134 HydrophobicContact CG2-CG1 4.47Å; I130-I134 WeakPolarHBondContact O-CG1 3.38Å; I130-I134 PolarHBondContact O-N 2.91Å; D131-I134 PolarHBondContact O-N 3.43Å; I134-K136 VanDerWaalsContact C-N 3.3Å; I134-K136 PolarHBondContact O-N 3Å; I134-A137 WeakPolarHBondContact O-CB 3.45Å; I134-A137 PolarHBondContact O-N 2.92Å; I134-A137 VanDerWaalsContact O-N 3.16Å; I134-V138 HydrophobicContact CG2-CG2 4.5Å; I134-V138 WeakPolarHBondContact O-CG2 3.45Å; I134-V138 PolarHBondContact O-N 3.47Å; I134-I161 HydrophobicContact CD1-CD1 4.43Å; I134-I161 HydrophobicContact CD1-CG2 4.24Å; I134-I161 HydrophobicContact CG2-CD1 3.46Å; I134-I161 VanDerWaalsContact CG2-CD1 3.46Å; I134-A216 HydrophobicContact CD1-CB 3.58Å
135	E	97.9	Very high	97.1	Very high	87 Å²	87	48.3 Å²	48.3	41%	0.407	25%	0.249	S	C	.	.	H	α-helix	trans	-59.8	-41.9	177	-171.1	-168.3	166.1	0	0	111.4	D131 K139	D131-E135 WeakPolarHBondContact O-CB 3.17Å; D131-E135 PolarHBondContact O-N 3.3Å; E135-K139 WeakPolarHBondContact O-CG 3.4Å; E135-K139 PolarHBondContact O-N 3.13Å; E135-K139 WeakPolarHBondContact OE1-CE 3.35Å; E135-K139 IonicContact OE1-NZ 3.73Å; E135-K139 PolarHBondContact OE1-NZ 2.88Å
136	K	96	Very high	97.1	Very high	117 Å²	117	49.3 Å²	49.3	51%	0.509	26%	0.256	S	S	.	.	H	α-helix	trans	-63.6	-44.1	174.6	-74.6	170.4	-176.5	169.1	0	111.7	S132 A133 I134 V138 K139 V140 F213	S132-K136 WeakPolarHBondContact O-CB 3.45Å; S132-K136 WeakPolarHBondContact O-CD 3.32Å; S132-K136 WeakPolarHBondContact O-CG 3.31Å; S132-K136 PolarHBondContact O-N 2.88Å; A133-K136 PolarHBondContact O-N 2.87Å; I134-K136 VanDerWaalsContact C-N 3.3Å; I134-K136 PolarHBondContact O-N 3Å; K136-V138 VanDerWaalsContact C-N 3.31Å; K136-V138 PolarHBondContact O-N 3.38Å; K136-K139 PolarHBondContact O-N 3.1Å; K136-V140 WeakPolarHBondContact O-CG2 3.37Å; K136-V140 PolarHBondContact O-N 2.89Å; K136-V140 VanDerWaalsContact O-N 3.1Å; K136-F213 HydrophobicContact CB-CD2 3.55Å; K136-F213 HydrophobicContact CB-CE2 3.63Å
137	A	97.7	Very high	97	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.3	-40.6	-179.5	0	0	0	0	0	112	A133 I134 V140 F213 A216 A217 L220	A133-A137 WeakPolarHBondContact O-CB 3.41Å; A133-A137 PolarHBondContact O-N 3.48Å; I134-A137 WeakPolarHBondContact O-CB 3.45Å; I134-A137 PolarHBondContact O-N 2.92Å; I134-A137 VanDerWaalsContact O-N 3.16Å; A137-V140 WeakPolarHBondContact O-CB 3.46Å; A137-F213 HydrophobicContact CB-CD2 4.15Å; A137-F213 HydrophobicContact CB-CE2 4.47Å; A137-A216 HydrophobicContact CB-CB 3.78Å; A137-A217 HydrophobicContact CB-CB 4.01Å; A137-L220 HydrophobicContact CB-CD1 3.82Å
138	V	97.3	Very high	97	Very high	5 Å²	5	42.3 Å²	42.3	3%	0.03	22%	0.22	C	C	.	.	H	α-helix	trans	-64.2	-45.2	173	170.6	0	0	0	0	111.6	Y116 I134 K136 V140 W141 E142 F149 L220	Y116-V138 HydrophobicContact CD1-CG2 4.26Å; Y116-V138 HydrophobicContact CE1-CG2 4.26Å; I134-V138 HydrophobicContact CG2-CG2 4.5Å; I134-V138 WeakPolarHBondContact O-CG2 3.45Å; I134-V138 PolarHBondContact O-N 3.47Å; K136-V138 VanDerWaalsContact C-N 3.31Å; K136-V138 PolarHBondContact O-N 3.38Å; V138-V140 VanDerWaalsContact C-N 3.26Å; V138-V140 PolarHBondContact O-N 3.3Å; V138-W141 PolarHBondContact O-N 2.79Å; V138-W141 VanDerWaalsContact O-N 3.14Å; V138-E142 PolarHBondContact O-N 2.75Å; V138-F149 HydrophobicContact CG1-CB 3.28Å; V138-F149 HydrophobicContact CG1-CD1 3.64Å; V138-F149 HydrophobicContact CG1-CD2 3.23Å; V138-F149 HydrophobicContact CG1-CE1 4.21Å; V138-F149 HydrophobicContact CG1-CE2 3.87Å; V138-F149 HydrophobicContact CG1-CG 3.09Å; V138-F149 HydrophobicContact CG1-CZ 4.31Å; V138-L220 HydrophobicContact CB-CD1 4.41Å; V138-L220 HydrophobicContact CG2-CD1 3.53Å
139	K	95.8	Very high	97.1	Very high	90 Å²	90	37.9 Å²	37.9	39%	0.391	20%	0.196	S	C	.	.	H	α-helix	trans	-59.7	-34.5	-179.9	-81.2	-179.2	-176.2	166.9	0	113.7	E135 K136 W141 E142 E143	E135-K139 WeakPolarHBondContact O-CG 3.4Å; E135-K139 PolarHBondContact O-N 3.13Å; E135-K139 WeakPolarHBondContact OE1-CE 3.35Å; E135-K139 IonicContact OE1-NZ 3.73Å; E135-K139 PolarHBondContact OE1-NZ 2.88Å; K136-K139 PolarHBondContact O-N 3.1Å; K139-W141 PolarHBondContact O-N 3.31Å; K139-E142 PolarHBondContact O-N 3.06Å; K139-E143 WeakPolarHBondContact O-CB 3.19Å; K139-E143 WeakPolarHBondContact O-CG 3.33Å; K139-E143 PolarHBondContact O-N 3.03Å
140	V	95.4	Very high	97.1	Very high	18 Å²	18	38.7 Å²	38.7	11%	0.109	20%	0.2	C	C	.	.	H	α-helix	trans	-52.4	-40	176.8	166.9	0	0	0	0	111.6	K136 A137 V138 F213 F249 L251	K136-V140 WeakPolarHBondContact O-CG2 3.37Å; K136-V140 PolarHBondContact O-N 2.89Å; K136-V140 VanDerWaalsContact O-N 3.1Å; A137-V140 WeakPolarHBondContact O-CB 3.46Å; V138-V140 VanDerWaalsContact C-N 3.26Å; V138-V140 PolarHBondContact O-N 3.3Å; V140-F213 HydrophobicContact CG2-CE2 3.79Å; V140-F213 HydrophobicContact CG2-CZ 3.79Å; V140-F249 HydrophobicContact CG1-CE1 3.97Å; V140-F249 HydrophobicContact CG2-CD1 4.36Å; V140-F249 HydrophobicContact CG2-CE1 3.83Å; V140-L251 HydrophobicContact CG1-CD1 3.7Å; V140-L251 HydrophobicContact CG1-CD2 3.44Å; V140-L251 VanDerWaalsContact CG1-CD2 3.44Å; V140-L251 HydrophobicContact CG1-CG 3.45Å; V140-L251 VanDerWaalsContact CG1-CG 3.45Å; V140-L251 WeakPolarHBondContact O-CD1 3.47Å
141	W	97.6	Very high	97.1	Very high	1 Å²	1	41.2 Å²	41.2	0%	0.004	21%	0.21	C	C	.	.	H	α-helix	trans	-85.5	-36.5	179.4	-61	113.5	0	0	0	113.2	V138 K139 E143 V144 T145 A217 L224 L226 L235 M236 L251 D255 I259	V138-W141 PolarHBondContact O-N 2.79Å; V138-W141 VanDerWaalsContact O-N 3.14Å; K139-W141 PolarHBondContact O-N 3.31Å; W141-E143 VanDerWaalsContact C-N 3.32Å; W141-E143 PolarHBondContact O-N 2.85Å; W141-V144 PolarHBondContact O-N 2.85Å; W141-T145 WeakPolarHBondContact O-CG2 3.42Å; W141-T145 PolarHBondContact O-N 2.63Å; W141-T145 PolarHBondContact O-OG1 2.79Å; W141-A217 PolarHBondContact NE1-O 2.84Å; W141-L224 HydrophobicContact CB-CD1 3.58Å; W141-L224 HydrophobicContact CD2-CD1 4.16Å; W141-L224 HydrophobicContact CG-CD1 3.57Å; W141-L226 HydrophobicContact CE3-CD1 4.41Å; W141-L226 HydrophobicContact CH2-CD1 3.31Å; W141-L226 HydrophobicContact CZ2-CD1 4.08Å; W141-L226 HydrophobicContact CZ3-CD1 3.51Å; W141-L235 HydrophobicContact CH2-CD2 4.17Å; W141-L235 HydrophobicContact CZ2-CD2 3.61Å; W141-M236 HydrophobicContact CH2-CG 4.23Å; W141-M236 HydrophobicContact CH2-SD 4.16Å; W141-M236 HydrophobicContact CZ2-SD 3.99Å; W141-L251 HydrophobicContact CE3-CD1 3.79Å; W141-L251 HydrophobicContact CE3-CD2 4.47Å; W141-L251 HydrophobicContact CH2-CD2 3.88Å; W141-L251 HydrophobicContact CZ2-CD2 4.29Å; W141-L251 HydrophobicContact CZ3-CD1 3.8Å; W141-L251 HydrophobicContact CZ3-CD2 3.98Å; W141-D255 HydrophobicContact CH2-CB 4.13Å; W141-D255 HydrophobicContact CZ3-CB 4.19Å; W141-I259 HydrophobicContact CE3-CB 3.99Å; W141-I259 HydrophobicContact CE3-CD1 4.18Å; W141-I259 HydrophobicContact CE3-CG1 3.84Å; W141-I259 HydrophobicContact CE3-CG2 4.07Å; W141-I259 HydrophobicContact CZ3-CB 3.93Å; W141-I259 HydrophobicContact CZ3-CD1 4.5Å; W141-I259 HydrophobicContact CZ3-CG1 4.24Å; W141-I259 HydrophobicContact CZ3-CG2 4.1Å
142	E	96.2	Very high	97	Very high	64 Å²	64	42.1 Å²	42.1	30%	0.299	21%	0.214	S	C	.	.	H	α-helix	trans	-59.7	-39.3	174.6	174.8	160.1	-156	0	0	112	V138 K139 V144 T145 L147 F149	V138-E142 PolarHBondContact O-N 2.75Å; K139-E142 PolarHBondContact O-N 3.06Å; E142-V144 PolarHBondContact O-N 2.7Å; E142-T145 PolarHBondContact O-N 2.94Å; E142-L147 WeakPolarHBondContact CG-O 3.3Å; E142-F149 HydrophobicContact CB-CD2 4.02Å; E142-F149 HydrophobicContact CB-CE2 4.03Å
143	E	95.5	Very high	97	Very high	148 Å²	148	48.1 Å²	48.1	69%	0.692	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-25.9	-179.3	-78.1	179.4	-172.5	0	0	114.2	K139 W141 P266	K139-E143 WeakPolarHBondContact O-CB 3.19Å; K139-E143 WeakPolarHBondContact O-CG 3.33Å; K139-E143 PolarHBondContact O-N 3.03Å; W141-E143 VanDerWaalsContact C-N 3.32Å; W141-E143 PolarHBondContact O-N 2.85Å; E143-P266 WeakPolarHBondContact O-CG 3.34Å
144	V	94.9	Very high	96.7	Very high	24 Å²	24	55.4 Å²	55.4	15%	0.145	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	7.6	-174.3	-58.1	0	0	0	0	113.5	W141 E142 L251 I256 I259 Q260 P266	W141-V144 PolarHBondContact O-N 2.85Å; E142-V144 PolarHBondContact O-N 2.7Å; V144-L251 HydrophobicContact CG1-CD1 4.26Å; V144-L251 HydrophobicContact CG2-CD1 3.58Å; V144-I256 HydrophobicContact CG1-CD1 4.45Å; V144-I256 HydrophobicContact CG1-CG1 4.25Å; V144-I259 HydrophobicContact CG2-CG2 3.81Å; V144-Q260 WeakPolarHBondContact O-CG 3.46Å; V144-Q260 PolarHBondContact O-NE2 2.89Å; V144-P266 VanDerWaalsContact C-CG 3.49Å; V144-P266 WeakPolarHBondContact O-CD 3.32Å
145	T	96.4	Very high	96.4	Very high	4 Å²	4	57.7 Å²	57.7	3%	0.025	29%	0.287	C	S	.	.	S	Bend	trans	-138.6	174	179	64.4	0	0	0	0	112.3	W141 E142 L147 I259	W141-T145 WeakPolarHBondContact O-CG2 3.42Å; W141-T145 PolarHBondContact O-N 2.63Å; W141-T145 PolarHBondContact O-OG1 2.79Å; E142-T145 PolarHBondContact O-N 2.94Å; T145-L147 PolarHBondContact O-N 3.02Å; T145-L147 VanDerWaalsContact OG1-CB 3.27Å; T145-L147 WeakPolarHBondContact OG1-CB 3.06Å; T145-L147 WeakPolarHBondContact OG1-CG 3.25Å; T145-L147 PolarHBondContact OG1-N 2.65Å; T145-L147 VanDerWaalsContact OG1-N 3.15Å; T145-I259 HydrophobicContact CG2-CB 4.24Å; T145-I259 HydrophobicContact CG2-CG1 3.52Å; T145-I259 HydrophobicContact CG2-CG2 3.76Å
146	P	96.8	Very high	96.1	Very high	40 Å²	40	59.4 Å²	59.4	26%	0.26	30%	0.295	S	S	.	.	S	Bend	trans	-77.5	2.3	164.2	-19.1	32.6	0	0	0	114.5	Y263 G264 P265	P146-Y263 WeakPolarHBondContact CD-O 3.41Å; P146-Y263 WeakPolarHBondContact CG-O 3.38Å; P146-G264 WeakPolarHBondContact CD-O 3.46Å; P146-P265 WeakPolarHBondContact CD-O 3.39Å; P146-P265 VanDerWaalsContact CG-O 3.3Å; P146-P265 WeakPolarHBondContact CG-O 3.39Å
147	L	97	Very high	96	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.01	27%	0.274	C	S	.	.			trans	-68.6	147.2	-178.9	-63.4	177	0	0	0	110.2	T112 L114 E142 T145 F149 L224 Y263	T112-L147 HydrophobicContact CG2-CD2 4.33Å; T112-L147 CarbonylContact O-C 3.54Å; T112-L147 VanDerWaalsContact O-CA 3.26Å; T112-L147 WeakPolarHBondContact O-CA 3.34Å; L114-L147 HydrophobicContact CD1-CD2 4.43Å; E142-L147 WeakPolarHBondContact CG-O 3.3Å; T145-L147 PolarHBondContact O-N 3.02Å; T145-L147 VanDerWaalsContact OG1-CB 3.27Å; T145-L147 WeakPolarHBondContact OG1-CB 3.06Å; T145-L147 WeakPolarHBondContact OG1-CG 3.25Å; T145-L147 PolarHBondContact OG1-N 2.65Å; T145-L147 VanDerWaalsContact OG1-N 3.15Å; L147-F149 HydrophobicContact CB-CE2 3.77Å; L147-F149 HydrophobicContact CB-CZ 4.06Å; L147-F149 HydrophobicContact CD1-CZ 4.12Å; L147-L224 HydrophobicContact CD1-CD1 4.02Å; L147-L224 HydrophobicContact CD1-CD2 3.67Å; L147-L224 HydrophobicContact CD1-CG 4.39Å; L147-Y263 HydrophobicContact CD1-CD1 4.14Å; L147-Y263 HydrophobicContact CD1-CD2 3.82Å; L147-Y263 HydrophobicContact CD1-CE1 4.27Å; L147-Y263 HydrophobicContact CD1-CE2 3.98Å; L147-Y263 HydrophobicContact CD1-CG 3.92Å; L147-Y263 HydrophobicContact CD2-CD1 3.53Å; L147-Y263 HydrophobicContact CD2-CE1 3.81Å; L147-Y263 HydrophobicContact CD2-CG 4.02Å; L147-Y263 HydrophobicContact CG-CD1 4.02Å; L147-Y263 HydrophobicContact CG-CD2 4.38Å; L147-Y263 HydrophobicContact CG-CE1 4.48Å; L147-Y263 HydrophobicContact CG-CG 3.97Å
148	T	97.7	Very high	95.9	Very high	54 Å²	54	55.6 Å²	55.6	33%	0.331	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	150.4	172.5	54.2	0	0	0	0	108.7	T112 H113 L114	T112-T148 PolarHBondContact O-N 2.8Å; H113-T148 WeakPolarHBondContact CA-O 3.44Å; H113-T148 PolarHBondContact ND1-OG1 2.86Å; L114-T148 PolarHBondContact N-O 2.85Å
149	F	98.3	Very high	95.9	Very high	28 Å²	28	55.4 Å²	55.4	12%	0.123	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	142.5	-173.6	-60.8	-98.7	0	0	0	112.1	L114 Y116 V138 E142 L147 I159 L224	L114-F149 HydrophobicContact CB-CD1 3.79Å; L114-F149 HydrophobicContact CB-CE1 3.89Å; L114-F149 HydrophobicContact CD1-CD1 4.48Å; L114-F149 HydrophobicContact CD1-CE1 3.72Å; L114-F149 HydrophobicContact CD1-CZ 4.2Å; L114-F149 HydrophobicContact CG-CE1 4.35Å; L114-F149 CarbonylContact O-C 3.52Å; L114-F149 VanDerWaalsContact O-CA 3.26Å; L114-F149 WeakPolarHBondContact O-CA 3.48Å; Y116-F149 HydrophobicContact CD1-CB 4.3Å; Y116-F149 HydrophobicContact CE1-CB 4.45Å; V138-F149 HydrophobicContact CG1-CB 3.28Å; V138-F149 HydrophobicContact CG1-CD1 3.64Å; V138-F149 HydrophobicContact CG1-CD2 3.23Å; V138-F149 HydrophobicContact CG1-CE1 4.21Å; V138-F149 HydrophobicContact CG1-CE2 3.87Å; V138-F149 HydrophobicContact CG1-CG 3.09Å; V138-F149 HydrophobicContact CG1-CZ 4.31Å; E142-F149 HydrophobicContact CB-CD2 4.02Å; E142-F149 HydrophobicContact CB-CE2 4.03Å; L147-F149 HydrophobicContact CB-CE2 3.77Å; L147-F149 HydrophobicContact CB-CZ 4.06Å; L147-F149 HydrophobicContact CD1-CZ 4.12Å; F149-I159 HydrophobicContact CE1-CD1 4.38Å; F149-L224 HydrophobicContact CE1-CD2 4.12Å; F149-L224 HydrophobicContact CZ-CD1 4.14Å; F149-L224 HydrophobicContact CZ-CD2 3.95Å
150	S	98.1	Very high	96	Very high	37 Å²	37	52.6 Å²	52.6	26%	0.259	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	137.7	170.7	57.4	0	0	0	0	111	H113 L114 T115 Y116	H113-S150 PolarHBondContact NE2-OG 3.36Å; L114-S150 PolarHBondContact O-N 2.93Å; T115-S150 CarbonylContact C-O 3.58Å; T115-S150 VanDerWaalsContact CA-O 3.23Å; T115-S150 WeakPolarHBondContact CA-O 3.25Å; T115-S150 WeakPolarHBondContact CG2-OG 3.13Å; Y116-S150 PolarHBondContact N-O 3.06Å
151	R	98.3	Very high	96.2	Very high	53 Å²	53	51.8 Å²	51.8	20%	0.2	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	131.9	176.7	-173.3	173.8	170.9	-165.8	-3.5	110.4	Y116 Y121 D131	Y116-R151 HydrophobicContact CD1-CB 4.46Å; Y116-R151 HydrophobicContact CD2-CG 4.39Å; Y116-R151 HydrophobicContact CE1-CB 3.84Å; Y116-R151 HydrophobicContact CE2-CB 4.08Å; Y116-R151 HydrophobicContact CE2-CG 3.87Å; Y116-R151 CarbonylContact O-C 3.59Å; Y116-R151 WeakPolarHBondContact O-CA 3.38Å; Y121-R151 PolarHBondContact OH-NH2 2.76Å; D131-R151 IonicContact OD1-CZ 2.65Å; D131-R151 IonicContact OD1-NH1 2.71Å; D131-R151 PolarHBondContact OD1-NH1 2.91Å; D131-R151 IonicContact OD1-NH2 3.72Å; D131-R151 PolarHBondContact OD1-NH2 2.88Å; D131-R151 IonicContact OD2-CZ 3.59Å; D131-R151 IonicContact OD2-NH1 3.81Å; D131-R151 PolarHBondContact OD2-NH1 2.85Å; D131-R151 IonicContact OD2-NH2 3.47Å; D131-R151 PolarHBondContact OD2-NH2 2.88Å; D131-R151 VanDerWaalsContact OD2-NH2 3.09Å
152	L	97.6	Very high	96.2	Very high	57 Å²	57	52.8 Å²	52.8	30%	0.298	27%	0.271	S	S	.	.			trans	-101.1	146.5	166.5	-57.5	-176.1	0	0	0	110.2	T115 Y116 R117 A157	T115-L152 HydrophobicContact CG2-CD1 4Å; T115-L152 HydrophobicContact CG2-CD2 4.26Å; T115-L152 HydrophobicContact CG2-CG 4.07Å; Y116-L152 PolarHBondContact O-N 2.71Å; R117-L152 HydrophobicContact CB-CB 4.47Å; R117-L152 WeakPolarHBondContact CG-O 3.26Å; L152-A157 HydrophobicContact CD1-CB 4.02Å
153	Y	95.8	Very high	96.3	Very high	170 Å²	170	49.9 Å²	49.9	67%	0.667	26%	0.257	S	S	*	.	S	Bend	trans	-105.8	-17.4	177.2	-64.4	-84.7	0	0	0	112.5
154	E	92.3	Very high	96.3	Very high	164 Å²	164	43.8 Å²	43.8	77%	0.766	23%	0.232	S	C	*	.	S	Bend	trans	-142.5	163.4	178.7	62.5	-179.6	-176.1	0	0	110.2
155	G	92.5	Very high	96.3	Very high	48 Å²	48	45.9 Å²	45.9	50%	0.495	25%	0.245	S	C	.	.	S	Bend	trans	75	-169.6	-179	0	0	0	0	0	114.3	R117	R117-G155 VanDerWaalsContact CD-O 3.31Å; R117-G155 WeakPolarHBondContact CD-O 3.32Å; R117-G155 PolarHBondContact NH1-O 2.86Å
156	E	90.6	Very high	96	Very high	123 Å²	123	52.8 Å²	52.8	58%	0.575	27%	0.27	S	S	*	.			trans	-94.7	132.6	179	-168.2	172.6	167.5	0	0	109.4
157	A	95	Very high	95.7	Very high	9 Å²	9	56 Å²	56	7%	0.074	28%	0.282	C	S	.	.			trans	-107.1	171.3	175.5	0	0	0	0	0	109.8	T115 R117 L152 I159 M160	T115-A157 WeakPolarHBondContact OG1-CA 3.34Å; R117-A157 HydrophobicContact CB-CB 3.74Å; L152-A157 HydrophobicContact CD1-CB 4.02Å; A157-I159 VanDerWaalsContact C-N 3.25Å; A157-I159 PolarHBondContact O-N 3.07Å; A157-M160 HydrophobicContact CB-SD 3.87Å; A157-M160 PolarHBondContact N-SD 3.21Å; A157-M160 VanDerWaalsContact N-SD 3.37Å
158	D	94.4	Very high	95.3	Very high	28 Å²	28	57.9 Å²	57.9	15%	0.15	29%	0.29	C	S	.	.	S	Bend	trans	-69.4	-27.8	173.6	-58.2	-68.4	0	0	0	112.6	W109 K111 L114 T115	W109-D158 HydrophobicContact CH2-CB 3.99Å; W109-D158 WeakPolarHBondContact CH2-O 3.5Å; W109-D158 HydrophobicContact CZ2-CB 4.26Å; W109-D158 WeakPolarHBondContact CZ2-O 3.04Å; W109-D158 HydrophobicContact CZ3-CB 4.32Å; K111-D158 WeakPolarHBondContact CE-OD1 3.31Å; K111-D158 WeakPolarHBondContact CE-OD2 3.45Å; K111-D158 IonicContact NZ-OD1 3.93Å; K111-D158 PolarHBondContact NZ-OD1 2.8Å; K111-D158 IonicContact NZ-OD2 2.84Å; K111-D158 PolarHBondContact NZ-OD2 3.37Å; L114-D158 HydrophobicContact CD2-CB 4.32Å; T115-D158 PolarHBondContact N-OD2 2.89Å; T115-D158 WeakPolarHBondContact O-CB 3.37Å; T115-D158 PolarHBondContact O-N 3.31Å; T115-D158 PolarHBondContact OG1-N 2.71Å; T115-D158 PolarHBondContact OG1-OD2 3.47Å
159	I	98.3	Very high	94.3	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	107	-179.9	-62.3	171	0	0	0	107.9	W109 T115 Y116 R117 F149 A157 I161 G193 L220	W109-I159 HydrophobicContact CZ2-CG1 4.43Å; T115-I159 PolarHBondContact O-N 2.88Å; Y116-I159 CarbonylContact C-O 3.59Å; Y116-I159 WeakPolarHBondContact CA-O 3.27Å; R117-I159 PolarHBondContact N-O 2.81Å; F149-I159 HydrophobicContact CE1-CD1 4.38Å; A157-I159 VanDerWaalsContact C-N 3.25Å; A157-I159 PolarHBondContact O-N 3.07Å; I159-I161 HydrophobicContact CG2-CD1 4.36Å; I159-I161 HydrophobicContact CG2-CG1 4Å; I159-G193 VanDerWaalsContact CG2-O 3.3Å; I159-G193 WeakPolarHBondContact CG2-O 3.08Å; I159-L220 HydrophobicContact CD1-CD2 4.28Å; I159-L220 HydrophobicContact CG2-CD2 3.81Å
160	M	97.6	Very high	93.3	Very high	31 Å²	31	56.7 Å²	56.7	15%	0.153	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	128.6	172.4	-52.2	-70.9	-80.1	0	0	109.3	R117 V119 A157 D194 A195	R117-M160 HydrophobicContact CB-SD 3.95Å; V119-M160 HydrophobicContact CG2-CB 4.01Å; V119-M160 HydrophobicContact CG2-CE 3.65Å; A157-M160 HydrophobicContact CB-SD 3.87Å; A157-M160 PolarHBondContact N-SD 3.21Å; A157-M160 VanDerWaalsContact N-SD 3.37Å; M160-D194 WeakPolarHBondContact CA-OD1 3.37Å; M160-D194 HydrophobicContact CB-CB 4.36Å; M160-D194 VanDerWaalsContact CB-CG 3.49Å; M160-D194 WeakPolarHBondContact CB-OD1 3.45Å; M160-D194 VanDerWaalsContact CG-OD1 3.32Å; M160-D194 WeakPolarHBondContact CG-OD1 3.31Å; M160-D194 PolarHBondContact N-OD1 3.36Å; M160-D194 CarbonylContact O-C 3.48Å; M160-D194 VanDerWaalsContact O-CA 3.3Å; M160-D194 WeakPolarHBondContact O-CA 3.38Å; M160-D194 WeakPolarHBondContact O-CB 3.17Å; M160-A195 PolarHBondContact O-N 3.18Å
161	I	98.8	Very high	92.2	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	120.9	-177.4	-64.9	170.4	0	0	0	108.3	Y116 R117 I118 V119 I134 I159 A195 F197 L220	Y116-I161 HydrophobicContact CD2-CD1 4.03Å; R117-I161 PolarHBondContact O-N 2.88Å; I118-I161 HydrophobicContact CG1-CB 4.48Å; V119-I161 PolarHBondContact N-O 2.85Å; I134-I161 HydrophobicContact CD1-CD1 4.43Å; I134-I161 HydrophobicContact CD1-CG2 4.24Å; I134-I161 HydrophobicContact CG2-CD1 3.46Å; I134-I161 VanDerWaalsContact CG2-CD1 3.46Å; I159-I161 HydrophobicContact CG2-CD1 4.36Å; I159-I161 HydrophobicContact CG2-CG1 4Å; I161-A195 WeakPolarHBondContact CA-O 3.19Å; I161-A195 HydrophobicContact CG1-CB 4.46Å; I161-F197 HydrophobicContact CG2-CD2 4.13Å; I161-F197 HydrophobicContact CG2-CE2 3.72Å; I161-L220 HydrophobicContact CD1-CD2 4.44Å
162	S	98.1	Very high	91	Very high	22 Å²	22	58.9 Å²	58.9	15%	0.154	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	150.4	-179.1	60	0	0	0	0	113.6	N120 A195 H196 F197	N120-S162 WeakPolarHBondContact OD1-CA 3.36Å; N120-S162 VanDerWaalsContact OD1-CB 3.31Å; N120-S162 WeakPolarHBondContact OD1-CB 3.46Å; S162-A195 PolarHBondContact N-O 2.81Å; S162-H196 CarbonylContact O-C 3.5Å; S162-H196 WeakPolarHBondContact O-CA 3.3Å; S162-H196 PolarHBondContact OG-CD2 3.04Å; S162-F197 PolarHBondContact O-N 3.11Å
163	F	98.4	Very high	90.4	Very high	4 Å²	4	59.8 Å²	59.8	2%	0.018	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	129.1	171.4	-60.9	-95.7	0	0	0	108.8	N120 T122 I130 F197 D199 L212	N120-F163 PolarHBondContact ND2-O 2.8Å; N120-F163 VanDerWaalsContact O-CD2 3.32Å; N120-F163 WeakPolarHBondContact O-CD2 3.49Å; N120-F163 PolarHBondContact OD1-N 2.83Å; T122-F163 HydrophobicContact CG2-CD1 3.99Å; T122-F163 HydrophobicContact CG2-CE1 3.76Å; T122-F163 HydrophobicContact CG2-CZ 4.15Å; I130-F163 HydrophobicContact CG2-CE2 4.06Å; I130-F163 HydrophobicContact CG2-CZ 4.01Å; F163-F197 CarbonylContact C-O 3.53Å; F163-F197 WeakPolarHBondContact CA-O 3.37Å; F163-F197 HydrophobicContact CD1-CB 3.64Å; F163-F197 HydrophobicContact CD1-CG 4.44Å; F163-F197 HydrophobicContact CE1-CB 3.84Å; F163-F197 HydrophobicContact CE1-CG 4.21Å; F163-F197 HydrophobicContact CG-CB 4.35Å; F163-D199 HydrophobicContact CB-CB 4.1Å; F163-L212 HydrophobicContact CE1-CD1 3.87Å; F163-L212 HydrophobicContact CE1-CD2 4.43Å; F163-L212 HydrophobicContact CZ-CD1 3.99Å; F163-L212 HydrophobicContact CZ-CD2 4.06Å
164	A	95.6	Very high	90.2	Very high	19 Å²	19	52.1 Å²	52.1	16%	0.157	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	162.7	-177.6	0	0	0	0	0	111.7	H168 F174 F197 D198 D199	A164-H168 HydrophobicContact CB-CB 3.36Å; A164-F174 WeakPolarHBondContact O-CD2 3.19Å; A164-F197 PolarHBondContact N-O 2.95Å; A164-D198 CarbonylContact O-C 3.48Å; A164-D198 WeakPolarHBondContact O-CA 3.46Å; A164-D199 PolarHBondContact O-N 2.91Å
165	V	94.2	Very high	90	Very high	68 Å²	68	47.7 Å²	47.7	41%	0.412	26%	0.261	S	S	.	.			trans	-116.2	137.7	178.9	-61.8	0	0	0	0	110.2	E167 D199	V165-E167 PolarHBondContact O-N 3.12Å; V165-D199 HydrophobicContact CG1-CB 3.79Å
166	R	91.5	Very high	89.8	Confident	150 Å²	150	45.5 Å²	45.5	57%	0.566	24%	0.239	S	C	*	.	S	Bend	trans	46.5	-123.9	172.4	-56.9	-178.2	-168.4	146	12.9	112.3	H168 P173 F174 D200	R166-H168 PolarHBondContact O-N 3.15Å; R166-H168 PolarHBondContact O-ND1 3.49Å; R166-P173 CarbonylContact O-C 3.05Å; R166-P173 WeakPolarHBondContact O-CA 3.29Å; R166-F174 WeakPolarHBondContact CA-O 3.21Å; R166-F174 PolarHBondContact O-N 3.47Å; R166-D200 IonicContact CZ-OD2 2.73Å; R166-D200 IonicContact NE-OD2 3.34Å; R166-D200 PolarHBondContact NE-OD2 2.93Å; R166-D200 IonicContact NH2-OD2 3.49Å; R166-D200 PolarHBondContact NH2-OD2 2.69Å
167	E	90.4	Very high	89.7	Confident	107 Å²	107	44.4 Å²	44.4	50%	0.5	24%	0.242	S	C	.	.			trans	-70.9	115.3	176.7	178.8	60.5	-131.8	0	0	111.1	V165 G169 P173	V165-E167 PolarHBondContact O-N 3.12Å; E167-G169 PolarHBondContact OE1-N 3.43Å; E167-P173 HydrophobicContact CB-CB 4.35Å
168	H	88.4	Confident	89	Confident	41 Å²	41	45.3 Å²	45.3	19%	0.19	25%	0.253	C	S	.	.			trans	-130.3	23.5	-172.7	58	-87.9	0	0	0	114.5	A164 R166 D170 Y172 F174 H183 H196	A164-H168 HydrophobicContact CB-CB 3.36Å; R166-H168 PolarHBondContact O-N 3.15Å; R166-H168 PolarHBondContact O-ND1 3.49Å; H168-D170 IonicContact CD2-OD1 2.71Å; H168-D170 IonicContact CD2-OD2 2.66Å; H168-D170 IonicContact CE1-OD1 3.64Å; H168-D170 IonicContact NE2-OD1 2.69Å; H168-D170 PolarHBondContact NE2-OD1 3.43Å; H168-D170 IonicContact NE2-OD2 2.79Å; H168-D170 PolarHBondContact NE2-OD2 3.27Å; H168-Y172 PolarHBondContact CE1-O 3.34Å; H168-F174 AromaticContact CE1-CD2 3.55Å; H168-F174 AromaticContact CE1-CE2 3.38Å; H168-F174 WeakPolarHBondContact CE1-CE2 3.39Å; H168-F174 AromaticContact CE1-CG 4Å; H168-F174 AromaticContact CE1-CZ 3.69Å; H168-F174 AromaticContact ND1-CD2 3.68Å; H168-F174 AromaticContact ND1-CE2 3.8Å; H168-F174 AromaticContact NE2-CE2 3.86Å; H168-F174 AromaticContact NE2-CZ 3.99Å; H168-H183 AromaticContact CE1-CE1 3.54Å; H168-H183 AromaticContact CE1-NE2 3.96Å; H168-H183 AromaticContact NE2-CE1 3.37Å; H168-H183 PolarHBondContact NE2-CE1 2.98Å; H168-H183 AromaticContact NE2-NE2 3.32Å; H168-H183 PolarHBondContact NE2-NE2 3.12Å; H168-H196 AromaticContact CD2-CE1 3.97Å; H168-H196 AromaticContact CD2-CG 3.93Å; H168-H196 AromaticContact CD2-ND1 3.27Å; H168-H196 PolarHBondContact CD2-ND1 2.77Å; H168-H196 VanDerWaalsContact CD2-ND1 3.27Å; H168-H196 AromaticContact NE2-CG 3.73Å; H168-H196 AromaticContact NE2-ND1 3.08Å; H168-H196 PolarHBondContact NE2-ND1 3.09Å
169	G	77.1	Confident	88.7	Confident	53 Å²	53	46.7 Å²	46.7	55%	0.546	26%	0.26	S	S	.	.	S	Bend	trans	96	6.3	163.4	0	0	0	0	0	115.8	E167	E167-G169 PolarHBondContact OE1-N 3.43Å
170	D	76	Confident	88.5	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.021	26%	0.264	C	S	.	.	S	Bend	trans	-121.3	5.1	-176.9	76.5	-13	0	0	0	114.2	H168 Y172 H183 Y185 I191 H196	H168-D170 IonicContact CD2-OD1 2.71Å; H168-D170 IonicContact CD2-OD2 2.66Å; H168-D170 IonicContact CE1-OD1 3.64Å; H168-D170 IonicContact NE2-OD1 2.69Å; H168-D170 PolarHBondContact NE2-OD1 3.43Å; H168-D170 IonicContact NE2-OD2 2.79Å; H168-D170 PolarHBondContact NE2-OD2 3.27Å; D170-Y172 VanDerWaalsContact C-N 3.27Å; D170-Y172 PolarHBondContact O-N 3Å; D170-Y172 PolarHBondContact OD1-N 3.2Å; D170-H183 IonicContact OD2-CD2 3.65Å; D170-H183 IonicContact OD2-CE1 3.02Å; D170-H183 PolarHBondContact OD2-CE1 3.4Å; D170-H183 IonicContact OD2-NE2 3.48Å; D170-H183 PolarHBondContact OD2-NE2 2.74Å; D170-Y185 HydrophobicContact CB-CE2 4.46Å; D170-Y185 VanDerWaalsContact CB-OH 3.24Å; D170-Y185 WeakPolarHBondContact CB-OH 3.33Å; D170-Y185 PolarHBondContact O-OH 2.75Å; D170-Y185 WeakPolarHBondContact OD2-CE2 3.12Å; D170-Y185 PolarHBondContact OD2-OH 2.62Å; D170-I191 HydrophobicContact CB-CD1 3.52Å; D170-H196 IonicContact OD2-CE1 2.87Å; D170-H196 PolarHBondContact OD2-CE1 3.18Å; D170-H196 IonicContact OD2-ND1 3.61Å; D170-H196 PolarHBondContact OD2-ND1 3.34Å
171	F	74.9	Confident	88.5	Confident	40 Å²	40	46 Å²	46	18%	0.175	26%	0.257	C	S	.	.	S	Bend	trans	70.3	8	-178.6	-51.5	-88.7	0	0	0	116	P173 L302	F171-P173 WeakPolarHBondContact O-CD 3.3Å; F171-L302 HydrophobicContact CZ-CD2 4.49Å
172	Y	74.4	Confident	88.4	Confident	97 Å²	97	45.9 Å²	45.9	38%	0.38	26%	0.257	S	S	.	.			trans	-115.7	77.4	172.9	-71.5	-87	0	0	0	109.9	H168 D170 F174 H183 Y185	H168-Y172 PolarHBondContact CE1-O 3.34Å; D170-Y172 VanDerWaalsContact C-N 3.27Å; D170-Y172 PolarHBondContact O-N 3Å; D170-Y172 PolarHBondContact OD1-N 3.2Å; Y172-F174 PolarHBondContact O-N 3.31Å; Y172-H183 VanDerWaalsContact CB-CE1 3.41Å; Y172-H183 WeakPolarHBondContact CB-CE1 3.46Å; Y172-H183 PolarHBondContact O-CE1 3.48Å; Y172-H183 VanDerWaalsContact O-CE1 3.25Å; Y172-Y185 HydrophobicContact CD2-CE1 4.43Å; Y172-Y185 VanDerWaalsContact CD2-OH 3.28Å; Y172-Y185 WeakPolarHBondContact CD2-OH 2.8Å; Y172-Y185 HydrophobicContact CE2-CE1 4.33Å
173	P	84.3	Confident	88.3	Confident	76 Å²	76	45.4 Å²	45.4	49%	0.494	25%	0.252	S	S	.	.			trans	-66.4	138.7	-176.7	28.2	-35.2	0	0	0	111.6	R166 E167 F171	R166-P173 CarbonylContact O-C 3.05Å; R166-P173 WeakPolarHBondContact O-CA 3.29Å; E167-P173 HydrophobicContact CB-CB 4.35Å; F171-P173 WeakPolarHBondContact O-CD 3.3Å
174	F	90.8	Very high	88	Confident	8 Å²	8	45.4 Å²	45.4	4%	0.035	25%	0.253	C	S	.	.			trans	-68	160.5	167.6	-63.1	-52.4	0	0	0	112.1	A164 R166 H168 Y172 V180 H183 H196 D198	A164-F174 WeakPolarHBondContact O-CD2 3.19Å; R166-F174 WeakPolarHBondContact CA-O 3.21Å; R166-F174 PolarHBondContact O-N 3.47Å; H168-F174 AromaticContact CE1-CD2 3.55Å; H168-F174 AromaticContact CE1-CE2 3.38Å; H168-F174 WeakPolarHBondContact CE1-CE2 3.39Å; H168-F174 AromaticContact CE1-CG 4Å; H168-F174 AromaticContact CE1-CZ 3.69Å; H168-F174 AromaticContact ND1-CD2 3.68Å; H168-F174 AromaticContact ND1-CE2 3.8Å; H168-F174 AromaticContact NE2-CE2 3.86Å; H168-F174 AromaticContact NE2-CZ 3.99Å; Y172-F174 PolarHBondContact O-N 3.31Å; F174-V180 HydrophobicContact CD1-CB 4.44Å; F174-V180 HydrophobicContact CD1-CG1 3.76Å; F174-V180 HydrophobicContact CE1-CG1 4.09Å; F174-H183 AromaticContact CE1-CE1 3.97Å; F174-H183 AromaticContact CE1-ND1 3.72Å; F174-H196 HydrophobicContact CE2-CB 4.31Å; F174-H196 HydrophobicContact CZ-CB 3.83Å; F174-D198 HydrophobicContact CB-CB 4.04Å; F174-D198 VanDerWaalsContact CB-CG 3.45Å; F174-D198 VanDerWaalsContact CB-OD2 3.32Å; F174-D198 WeakPolarHBondContact CB-OD2 3.48Å; F174-D198 HydrophobicContact CD1-CB 3.9Å; F174-D198 HydrophobicContact CD2-CB 3.61Å; F174-D198 HydrophobicContact CE1-CB 4.24Å; F174-D198 HydrophobicContact CE2-CB 3.95Å; F174-D198 HydrophobicContact CG-CB 3.59Å; F174-D198 HydrophobicContact CZ-CB 4.26Å
175	D	88.6	Confident	87.5	Confident	72 Å²	72	46.1 Å²	46.1	39%	0.385	25%	0.252	S	S	.	.			trans	-104.3	2.9	-173.9	67	-23.8	0	0	0	114.6	N179 V180	D175-N179 WeakPolarHBondContact OD1-CB 3.21Å; D175-N179 WeakPolarHBondContact OD2-CB 3.42Å; D175-N179 PolarHBondContact OD2-ND2 3.25Å; D175-V180 VanDerWaalsContact OD1-CB 3.31Å; D175-V180 WeakPolarHBondContact OD1-CB 3.39Å; D175-V180 PolarHBondContact OD1-N 2.72Å
176	G	88.2	Confident	87	Confident	2 Å²	2	43.1 Å²	43.1	2%	0.021	23%	0.234	C	C	.	.			trans	84.8	-163.9	-176	0	0	0	0	0	111.4	G178	G176-G178 PolarHBondContact O-N 2.97Å
177	P	89.9	Confident	86.9	Confident	99 Å²	99	36.3 Å²	36.3	64%	0.643	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	134.2	-162.4	-21.3	30.4	0	0	0	115.6	D200	P177-D200 HydrophobicContact CG-CB 4.31Å
178	G	79.7	Confident	86.2	Confident	29 Å²	29	32 Å²	32	30%	0.299	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.8	-6.3	159.5	0	0	0	0	0	117.1	P90 G176 E201	P90-G178 WeakPolarHBondContact CA-O 3.45Å; P90-G178 WeakPolarHBondContact CB-O 3.38Å; P90-G178 VanDerWaalsContact CG-O 3.29Å; P90-G178 WeakPolarHBondContact CG-O 3.47Å; G176-G178 PolarHBondContact O-N 2.97Å; G178-E201 WeakPolarHBondContact CA-OE1 3.11Å; G178-E201 PolarHBondContact N-OE1 3.43Å; G178-E201 PolarHBondContact N-OE2 2.9Å
179	N	87.1	Confident	85.4	Confident	57 Å²	57	33.3 Å²	33.3	31%	0.305	21%	0.206	S	C	.	.	S	Bend	trans	-114.4	-81.9	-172.7	-76.2	-23.4	0	0	0	111.5	P90 R91 D175 L181 E201	P90-N179 CarbonylContact C-O 3.54Å; P90-N179 WeakPolarHBondContact CA-O 3.27Å; R91-N179 PolarHBondContact N-O 3.05Å; D175-N179 WeakPolarHBondContact OD1-CB 3.21Å; D175-N179 WeakPolarHBondContact OD2-CB 3.42Å; D175-N179 PolarHBondContact OD2-ND2 3.25Å; N179-L181 PolarHBondContact O-N 3.18Å; N179-E201 PolarHBondContact N-OE1 2.87Å
180	V	94.2	Very high	85.5	Confident	13 Å²	13	31.7 Å²	31.7	8%	0.079	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	108.9	179.3	179.2	0	0	0	0	109.1	Y41 G93 F174 D175	Y41-V180 WeakPolarHBondContact OH-CG2 3.15Å; G93-V180 VanDerWaalsContact CA-CG1 3.49Å; F174-V180 HydrophobicContact CD1-CB 4.44Å; F174-V180 HydrophobicContact CD1-CG1 3.76Å; F174-V180 HydrophobicContact CE1-CG1 4.09Å; D175-V180 VanDerWaalsContact OD1-CB 3.31Å; D175-V180 WeakPolarHBondContact OD1-CB 3.39Å; D175-V180 PolarHBondContact OD1-N 2.72Å
181	L	97.3	Very high	85.6	Confident	3 Å²	3	33.1 Å²	33.1	2%	0.016	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	-39	-175.3	-59.6	-178.6	0	0	0	112.9	P90 R91 N179 D198 E201 W203 I210 V215 Y240	P90-L181 HydrophobicContact CB-CD1 3.89Å; P90-L181 HydrophobicContact CB-CD2 3.8Å; P90-L181 HydrophobicContact CB-CG 3.91Å; R91-L181 PolarHBondContact O-N 2.66Å; N179-L181 PolarHBondContact O-N 3.18Å; L181-D198 PolarHBondContact O-N 2.6Å; L181-E201 HydrophobicContact CD2-CG 3.93Å; L181-W203 HydrophobicContact CB-CH2 4.38Å; L181-W203 WeakPolarHBondContact O-CH2 3.49Å; L181-W203 WeakPolarHBondContact O-CZ2 3.32Å; L181-I210 HydrophobicContact CD1-CD1 4.23Å; L181-I210 HydrophobicContact CD1-CG2 3.79Å; L181-I210 HydrophobicContact CD2-CD1 3.87Å; L181-I210 HydrophobicContact CD2-CG1 3.8Å; L181-I210 HydrophobicContact CD2-CG2 3.99Å; L181-I210 HydrophobicContact CG-CG2 4.37Å; L181-V215 HydrophobicContact CB-CG1 4.31Å; L181-V215 HydrophobicContact CD1-CG2 3.98Å; L181-Y240 HydrophobicContact CD1-CD1 4.44Å; L181-Y240 HydrophobicContact CD1-CD2 3.97Å; L181-Y240 HydrophobicContact CD1-CG 3.75Å
182	A	97.8	Very high	86	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.2	168.3	-173.3	0	0	0	0	0	110.1	G93 H196 F197 V215 E219	G93-A182 PolarHBondContact N-O 3.33Å; A182-H196 CarbonylContact C-O 3.53Å; A182-H196 WeakPolarHBondContact CA-O 3.37Å; A182-H196 WeakPolarHBondContact CB-O 3.41Å; A182-F197 HydrophobicContact CB-CD1 3.94Å; A182-F197 HydrophobicContact CB-CE1 4.34Å; A182-F197 HydrophobicContact CB-CG 4.34Å; A182-V215 HydrophobicContact CB-CG1 3.53Å; A182-E219 HydrophobicContact CB-CG 3.56Å
183	H	95.5	Very high	86.6	Confident	11 Å²	11	27 Å²	27	5%	0.051	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	163.5	163.6	60	-133.3	0	0	0	111	V94 H168 D170 Y172 F174 H196 E219	V94-H183 HydrophobicContact CG2-CB 4.15Å; H168-H183 AromaticContact CE1-CE1 3.54Å; H168-H183 AromaticContact CE1-NE2 3.96Å; H168-H183 AromaticContact NE2-CE1 3.37Å; H168-H183 PolarHBondContact NE2-CE1 2.98Å; H168-H183 AromaticContact NE2-NE2 3.32Å; H168-H183 PolarHBondContact NE2-NE2 3.12Å; D170-H183 IonicContact OD2-CD2 3.65Å; D170-H183 IonicContact OD2-CE1 3.02Å; D170-H183 PolarHBondContact OD2-CE1 3.4Å; D170-H183 IonicContact OD2-NE2 3.48Å; D170-H183 PolarHBondContact OD2-NE2 2.74Å; Y172-H183 VanDerWaalsContact CB-CE1 3.41Å; Y172-H183 WeakPolarHBondContact CB-CE1 3.46Å; Y172-H183 PolarHBondContact O-CE1 3.48Å; Y172-H183 VanDerWaalsContact O-CE1 3.25Å; F174-H183 AromaticContact CE1-CE1 3.97Å; F174-H183 AromaticContact CE1-ND1 3.72Å; H183-H196 AromaticContact CD2-ND1 3.89Å; H183-H196 PolarHBondContact N-O 2.85Å; H183-H196 AromaticContact NE2-CG 3.81Å; H183-H196 AromaticContact NE2-ND1 3.24Å; H183-H196 PolarHBondContact NE2-ND1 3.01Å; H183-H196 PolarHBondContact O-N 2.94Å; H183-E219 WeakPolarHBondContact CA-OE2 3.35Å
184	A	93.1	Very high	87.1	Confident	5 Å²	5	24.2 Å²	24.2	4%	0.041	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	156.2	172.5	0	0	0	0	0	112.9	D194 A195 E219 H222	A184-D194 CarbonylContact C-O 3.53Å; A184-D194 WeakPolarHBondContact CA-O 3.2Å; A184-D194 WeakPolarHBondContact CB-O 3.44Å; A184-A195 HydrophobicContact CB-CB 3.92Å; A184-E219 HydrophobicContact CB-CB 3.93Å; A184-E219 VanDerWaalsContact CB-O 3.22Å; A184-E219 WeakPolarHBondContact CB-O 3.15Å; A184-E219 PolarHBondContact N-OE2 2.79Å; A184-E219 VanDerWaalsContact N-OE2 3.14Å; A184-H222 HydrophobicContact CB-CB 3.9Å
185	Y	85.3	Confident	87.5	Confident	33 Å²	33	23.8 Å²	23.8	13%	0.129	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-94.7	147.7	178.4	-65.7	-89.1	0	0	0	111.6	D170 Y172 I191 G193 D194 S223	D170-Y185 HydrophobicContact CB-CE2 4.46Å; D170-Y185 VanDerWaalsContact CB-OH 3.24Å; D170-Y185 WeakPolarHBondContact CB-OH 3.33Å; D170-Y185 PolarHBondContact O-OH 2.75Å; D170-Y185 WeakPolarHBondContact OD2-CE2 3.12Å; D170-Y185 PolarHBondContact OD2-OH 2.62Å; Y172-Y185 HydrophobicContact CD2-CE1 4.43Å; Y172-Y185 VanDerWaalsContact CD2-OH 3.28Å; Y172-Y185 WeakPolarHBondContact CD2-OH 2.8Å; Y172-Y185 HydrophobicContact CE2-CE1 4.33Å; Y185-I191 WeakPolarHBondContact CB-O 3.1Å; Y185-I191 HydrophobicContact CD2-CD1 4.42Å; Y185-I191 HydrophobicContact CD2-CG1 3.99Å; Y185-I191 HydrophobicContact CE2-CD1 3.84Å; Y185-I191 HydrophobicContact CE2-CG1 3.91Å; Y185-G193 WeakPolarHBondContact O-CA 3.25Å; Y185-G193 PolarHBondContact O-N 3.05Å; Y185-D194 HydrophobicContact CD2-CB 4.49Å; Y185-D194 PolarHBondContact N-O 3.09Å; Y185-S223 WeakPolarHBondContact O-CA 3.11Å
186	A	83.7	Confident	87.9	Confident	5 Å²	5	21 Å²	21	4%	0.041	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-62.9	160.6	174	0	0	0	0	0	112.4	F100 P107 G188 N192 G193	F100-A186 HydrophobicContact CD1-CB 3.85Å; F100-A186 HydrophobicContact CE1-CB 4.05Å; P107-A186 HydrophobicContact CB-CB 4.28Å; A186-G188 PolarHBondContact O-N 2.83Å; A186-N192 CarbonylContact O-C 3.58Å; A186-N192 VanDerWaalsContact O-C 3.32Å; A186-N192 WeakPolarHBondContact O-CA 3.23Å; A186-N192 VanDerWaalsContact O-CB 3.24Å; A186-N192 WeakPolarHBondContact O-CB 3.27Å; A186-G193 PolarHBondContact O-N 3.49Å
187	P	87.6	Confident	88.4	Confident	8 Å²	8	21 Å²	21	5%	0.052	14%	0.136	C	C	.	.	S	Bend	trans	-51	133.7	178.9	-29.6	32.2	0	0	0	115.1	W109 S223 L224 G225	W109-P187 HydrophobicContact CD2-CB 3.76Å; W109-P187 HydrophobicContact CE3-CB 4.4Å; W109-P187 HydrophobicContact CG-CB 3.9Å; W109-P187 HydrophobicContact CG-CG 4.31Å; W109-P187 HydrophobicContact CZ2-CB 4.17Å; P187-S223 WeakPolarHBondContact CG-O 3.3Å; P187-L224 VanDerWaalsContact CG-C 3.48Å; P187-G225 VanDerWaalsContact CD-CA 3.43Å
188	G	76.2	Confident	88.8	Confident	17 Å²	17	16.3 Å²	16.3	18%	0.175	11%	0.105	C	C	.	.	S	Bend	trans	169.3	-169.8	175.1	0	0	0	0	0	114.2	W109 A186 N192	W109-G188 WeakPolarHBondContact CH2-O 3.49Å; W109-G188 VanDerWaalsContact CZ3-O 3.31Å; W109-G188 WeakPolarHBondContact CZ3-O 3.41Å; A186-G188 PolarHBondContact O-N 2.83Å; G188-N192 VanDerWaalsContact C-CB 3.43Å
189	P	71.4	Confident	89.7	Confident	67 Å²	67	17.4 Å²	17.4	44%	0.435	10%	0.104	S	C	.	.	S	Bend	trans	-80.9	157.2	175.1	33	-34.6	0	0	0	112.6	N192	P189-N192 WeakPolarHBondContact O-CB 3.33Å; P189-N192 PolarHBondContact O-N 3.49Å; P189-N192 PolarHBondContact O-ND2 3.07Å
190	G	80.6	Confident	90.1	Very high	20 Å²	20	17 Å²	17	21%	0.206	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	-130.6	177.6	0	0	0	0	0	111.3	N192	G190-N192 PolarHBondContact O-N 3.01Å; G190-N192 VanDerWaalsContact O-N 3.07Å
191	I	77.8	Confident	90.2	Very high	33 Å²	33	17 Å²	17	17%	0.169	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-12.2	-179.6	-156.9	171.2	0	0	0	114.3	D170 Y185 G193 D194 Y327	D170-I191 HydrophobicContact CB-CD1 3.52Å; Y185-I191 WeakPolarHBondContact CB-O 3.1Å; Y185-I191 HydrophobicContact CD2-CD1 4.42Å; Y185-I191 HydrophobicContact CD2-CG1 3.99Å; Y185-I191 HydrophobicContact CE2-CD1 3.84Å; Y185-I191 HydrophobicContact CE2-CG1 3.91Å; I191-G193 PolarHBondContact O-N 2.94Å; I191-D194 WeakPolarHBondContact CA-OD2 3.45Å; I191-D194 HydrophobicContact CG1-CB 4.19Å; I191-D194 VanDerWaalsContact O-CB 3.28Å; I191-D194 WeakPolarHBondContact O-CB 3.35Å; I191-D194 PolarHBondContact O-N 2.68Å; I191-D194 VanDerWaalsContact O-N 3.09Å; I191-Y327 HydrophobicContact CG2-CE1 4.01Å
192	N	83.5	Confident	90	Very high	9 Å²	9	23.5 Å²	23.5	5%	0.048	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	122.7	-179.3	-69.4	-54.3	0	0	0	109.9	A186 G188 P189 G190	A186-N192 CarbonylContact O-C 3.58Å; A186-N192 VanDerWaalsContact O-C 3.32Å; A186-N192 WeakPolarHBondContact O-CA 3.23Å; A186-N192 VanDerWaalsContact O-CB 3.24Å; A186-N192 WeakPolarHBondContact O-CB 3.27Å; G188-N192 VanDerWaalsContact C-CB 3.43Å; P189-N192 WeakPolarHBondContact O-CB 3.33Å; P189-N192 PolarHBondContact O-N 3.49Å; P189-N192 PolarHBondContact O-ND2 3.07Å; G190-N192 PolarHBondContact O-N 3.01Å; G190-N192 VanDerWaalsContact O-N 3.07Å
193	G	86.6	Confident	90	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.5	-16.2	-170.6	0	0	0	0	0	113.4	I159 Y185 A186 I191 S223	I159-G193 VanDerWaalsContact CG2-O 3.3Å; I159-G193 WeakPolarHBondContact CG2-O 3.08Å; Y185-G193 WeakPolarHBondContact O-CA 3.25Å; Y185-G193 PolarHBondContact O-N 3.05Å; A186-G193 PolarHBondContact O-N 3.49Å; I191-G193 PolarHBondContact O-N 2.94Å; G193-S223 VanDerWaalsContact O-CB 3.3Å; G193-S223 WeakPolarHBondContact O-CB 3.02Å; G193-S223 PolarHBondContact O-OG 3.42Å; G193-S223 VanDerWaalsContact O-OG 3.11Å
194	D	95.3	Very high	89.9	Confident	17 Å²	17	23.8 Å²	23.8	9%	0.091	13%	0.134	C	C	.	.			trans	-71.3	148.2	-179	-67.2	-8.3	0	0	0	111.6	M160 A184 Y185 I191	M160-D194 WeakPolarHBondContact CA-OD1 3.37Å; M160-D194 HydrophobicContact CB-CB 4.36Å; M160-D194 VanDerWaalsContact CB-CG 3.49Å; M160-D194 WeakPolarHBondContact CB-OD1 3.45Å; M160-D194 VanDerWaalsContact CG-OD1 3.32Å; M160-D194 WeakPolarHBondContact CG-OD1 3.31Å; M160-D194 PolarHBondContact N-OD1 3.36Å; M160-D194 CarbonylContact O-C 3.48Å; M160-D194 VanDerWaalsContact O-CA 3.3Å; M160-D194 WeakPolarHBondContact O-CA 3.38Å; M160-D194 WeakPolarHBondContact O-CB 3.17Å; A184-D194 CarbonylContact C-O 3.53Å; A184-D194 WeakPolarHBondContact CA-O 3.2Å; A184-D194 WeakPolarHBondContact CB-O 3.44Å; Y185-D194 HydrophobicContact CD2-CB 4.49Å; Y185-D194 PolarHBondContact N-O 3.09Å; I191-D194 WeakPolarHBondContact CA-OD2 3.45Å; I191-D194 HydrophobicContact CG1-CB 4.19Å; I191-D194 VanDerWaalsContact O-CB 3.28Å; I191-D194 WeakPolarHBondContact O-CB 3.35Å; I191-D194 PolarHBondContact O-N 2.68Å; I191-D194 VanDerWaalsContact O-N 3.09Å
195	A	97.8	Very high	89.8	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	123.9	178.4	0	0	0	0	0	110.4	M160 I161 S162 A184 F197 E219	M160-A195 PolarHBondContact O-N 3.18Å; I161-A195 WeakPolarHBondContact CA-O 3.19Å; I161-A195 HydrophobicContact CG1-CB 4.46Å; S162-A195 PolarHBondContact N-O 2.81Å; A184-A195 HydrophobicContact CB-CB 3.92Å; A195-F197 HydrophobicContact CB-CE2 3.88Å; A195-F197 HydrophobicContact CB-CZ 4.4Å; A195-E219 HydrophobicContact CB-CB 4.16Å
196	H	98.2	Very high	89.8	Confident	14 Å²	14	32.4 Å²	32.4	7%	0.065	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	135	-178.6	-56.6	164.2	0	0	0	110.1	S162 H168 D170 F174 A182 H183	S162-H196 CarbonylContact O-C 3.5Å; S162-H196 WeakPolarHBondContact O-CA 3.3Å; S162-H196 PolarHBondContact OG-CD2 3.04Å; H168-H196 AromaticContact CD2-CE1 3.97Å; H168-H196 AromaticContact CD2-CG 3.93Å; H168-H196 AromaticContact CD2-ND1 3.27Å; H168-H196 PolarHBondContact CD2-ND1 2.77Å; H168-H196 VanDerWaalsContact CD2-ND1 3.27Å; H168-H196 AromaticContact NE2-CG 3.73Å; H168-H196 AromaticContact NE2-ND1 3.08Å; H168-H196 PolarHBondContact NE2-ND1 3.09Å; D170-H196 IonicContact OD2-CE1 2.87Å; D170-H196 PolarHBondContact OD2-CE1 3.18Å; D170-H196 IonicContact OD2-ND1 3.61Å; D170-H196 PolarHBondContact OD2-ND1 3.34Å; F174-H196 HydrophobicContact CE2-CB 4.31Å; F174-H196 HydrophobicContact CZ-CB 3.83Å; A182-H196 CarbonylContact C-O 3.53Å; A182-H196 WeakPolarHBondContact CA-O 3.37Å; A182-H196 WeakPolarHBondContact CB-O 3.41Å; H183-H196 AromaticContact CD2-ND1 3.89Å; H183-H196 PolarHBondContact N-O 2.85Å; H183-H196 AromaticContact NE2-CG 3.81Å; H183-H196 AromaticContact NE2-ND1 3.24Å; H183-H196 PolarHBondContact NE2-ND1 3.01Å; H183-H196 PolarHBondContact O-N 2.94Å
197	F	98.6	Very high	89.7	Confident	1 Å²	1	36.2 Å²	36.2	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	133.2	-177.9	-63.7	-98.7	0	0	0	109	I161 S162 F163 A164 A182 A195 D199 W203 L212 V215 A216 E219	I161-F197 HydrophobicContact CG2-CD2 4.13Å; I161-F197 HydrophobicContact CG2-CE2 3.72Å; S162-F197 PolarHBondContact O-N 3.11Å; F163-F197 CarbonylContact C-O 3.53Å; F163-F197 WeakPolarHBondContact CA-O 3.37Å; F163-F197 HydrophobicContact CD1-CB 3.64Å; F163-F197 HydrophobicContact CD1-CG 4.44Å; F163-F197 HydrophobicContact CE1-CB 3.84Å; F163-F197 HydrophobicContact CE1-CG 4.21Å; F163-F197 HydrophobicContact CG-CB 4.35Å; A164-F197 PolarHBondContact N-O 2.95Å; A182-F197 HydrophobicContact CB-CD1 3.94Å; A182-F197 HydrophobicContact CB-CE1 4.34Å; A182-F197 HydrophobicContact CB-CG 4.34Å; A195-F197 HydrophobicContact CB-CE2 3.88Å; A195-F197 HydrophobicContact CB-CZ 4.4Å; F197-D199 PolarHBondContact O-N 3.18Å; F197-W203 HydrophobicContact CB-CH2 4.27Å; F197-W203 HydrophobicContact CB-CZ2 3.76Å; F197-W203 AromaticContact CD1-CH2 3.76Å; F197-W203 HydrophobicContact CD1-CH2 3.76Å; F197-W203 HydrophobicContact CD1-CZ2 4.12Å; F197-W203 HydrophobicContact CD1-CZ3 4.23Å; F197-W203 HydrophobicContact CG-CZ2 4.46Å; F197-L212 HydrophobicContact CD1-CD1 3.83Å; F197-L212 HydrophobicContact CE1-CD1 3.99Å; F197-V215 HydrophobicContact CD1-CG1 4.17Å; F197-V215 HydrophobicContact CE1-CB 4.43Å; F197-V215 HydrophobicContact CE1-CG1 4.01Å; F197-A216 HydrophobicContact CE1-CB 3.82Å; F197-A216 HydrophobicContact CZ-CB 3.73Å; F197-E219 HydrophobicContact CE1-CG 4.32Å; F197-E219 HydrophobicContact CZ-CB 4.35Å; F197-E219 HydrophobicContact CZ-CG 4.34Å
198	D	98.2	Very high	89.4	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	115.5	-179.8	-169.8	5.3	0	0	0	110.6	A164 F174 L181 D200 E201 W203	A164-D198 CarbonylContact O-C 3.48Å; A164-D198 WeakPolarHBondContact O-CA 3.46Å; F174-D198 HydrophobicContact CB-CB 4.04Å; F174-D198 VanDerWaalsContact CB-CG 3.45Å; F174-D198 VanDerWaalsContact CB-OD2 3.32Å; F174-D198 WeakPolarHBondContact CB-OD2 3.48Å; F174-D198 HydrophobicContact CD1-CB 3.9Å; F174-D198 HydrophobicContact CD2-CB 3.61Å; F174-D198 HydrophobicContact CE1-CB 4.24Å; F174-D198 HydrophobicContact CE2-CB 3.95Å; F174-D198 HydrophobicContact CG-CB 3.59Å; F174-D198 HydrophobicContact CZ-CB 4.26Å; L181-D198 PolarHBondContact O-N 2.6Å; D198-D200 PolarHBondContact O-N 2.81Å; D198-D200 PolarHBondContact OD1-N 3.21Å; D198-E201 HydrophobicContact CB-CG 3.96Å; D198-E201 WeakPolarHBondContact O-CB 3.33Å; D198-E201 PolarHBondContact O-N 3.07Å; D198-W203 WeakPolarHBondContact O-CZ2 3.31Å; D198-W203 PolarHBondContact O-NE1 2.91Å
199	D	97.6	Very high	89.9	Confident	52 Å²	52	41.3 Å²	41.3	28%	0.278	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-1.2	-179.1	-152.5	36.4	0	0	0	112.1	T122 F163 A164 V165 F197 E201	T122-D199 WeakPolarHBondContact CA-OD1 3.41Å; T122-D199 WeakPolarHBondContact CB-OD1 3.08Å; T122-D199 PolarHBondContact OG1-OD1 2.82Å; F163-D199 HydrophobicContact CB-CB 4.1Å; A164-D199 PolarHBondContact O-N 2.91Å; V165-D199 HydrophobicContact CG1-CB 3.79Å; F197-D199 PolarHBondContact O-N 3.18Å; D199-E201 VanDerWaalsContact C-N 3.28Å
200	D	96.5	Very high	90.9	Very high	50 Å²	50	39 Å²	39	27%	0.267	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-11.1	164.2	-87.6	-19.7	0	0	0	111.5	R166 P177 D198	R166-D200 IonicContact CZ-OD2 2.73Å; R166-D200 IonicContact NE-OD2 3.34Å; R166-D200 PolarHBondContact NE-OD2 2.93Å; R166-D200 IonicContact NH2-OD2 3.49Å; R166-D200 PolarHBondContact NH2-OD2 2.69Å; P177-D200 HydrophobicContact CG-CB 4.31Å; D198-D200 PolarHBondContact O-N 2.81Å; D198-D200 PolarHBondContact OD1-N 3.21Å
201	E	95.7	Very high	91.6	Very high	12 Å²	12	38.1 Å²	38.1	6%	0.056	20%	0.203	C	C	.	.	S	Bend	trans	-82.4	154.3	174.7	-61.9	-65.1	176	0	0	112.8	G178 N179 L181 D198 D199 W203	G178-E201 WeakPolarHBondContact CA-OE1 3.11Å; G178-E201 PolarHBondContact N-OE1 3.43Å; G178-E201 PolarHBondContact N-OE2 2.9Å; N179-E201 PolarHBondContact N-OE1 2.87Å; L181-E201 HydrophobicContact CD2-CG 3.93Å; D198-E201 HydrophobicContact CB-CG 3.96Å; D198-E201 WeakPolarHBondContact O-CB 3.33Å; D198-E201 PolarHBondContact O-N 3.07Å; D199-E201 VanDerWaalsContact C-N 3.28Å; E201-W203 HydrophobicContact CB-CZ2 4.17Å; E201-W203 HydrophobicContact CG-CZ2 4.5Å; E201-W203 PolarHBondContact O-N 3.08Å
202	Q	94.4	Very high	92.5	Very high	139 Å²	139	36.6 Å²	36.6	65%	0.65	20%	0.195	S	C	*	.			trans	-89.1	98.2	172.4	-171.6	174.9	28.6	0	0	111.1	D124 T204 I210	D124-Q202 WeakPolarHBondContact OD2-CA 3.33Å; Q202-T204 HydrophobicContact CG-CG2 4.46Å; Q202-I210 PolarHBondContact O-N 2.66Å
203	W	96.8	Very high	93.1	Very high	3 Å²	3	37.5 Å²	37.5	1%	0.011	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	129	-179.7	-63.7	99	0	0	0	112.1	T122 D124 L125 L181 F197 D198 E201 I210 L212 V215	T122-W203 HydrophobicContact CG2-CB 4.29Å; T122-W203 HydrophobicContact CG2-CG 4.36Å; D124-W203 HydrophobicContact CB-CB 4.15Å; D124-W203 PolarHBondContact OD2-N 3.24Å; L125-W203 HydrophobicContact CD1-CB 4.18Å; L181-W203 HydrophobicContact CB-CH2 4.38Å; L181-W203 WeakPolarHBondContact O-CH2 3.49Å; L181-W203 WeakPolarHBondContact O-CZ2 3.32Å; F197-W203 HydrophobicContact CB-CH2 4.27Å; F197-W203 HydrophobicContact CB-CZ2 3.76Å; F197-W203 AromaticContact CD1-CH2 3.76Å; F197-W203 HydrophobicContact CD1-CH2 3.76Å; F197-W203 HydrophobicContact CD1-CZ2 4.12Å; F197-W203 HydrophobicContact CD1-CZ3 4.23Å; F197-W203 HydrophobicContact CG-CZ2 4.46Å; D198-W203 WeakPolarHBondContact O-CZ2 3.31Å; D198-W203 PolarHBondContact O-NE1 2.91Å; E201-W203 HydrophobicContact CB-CZ2 4.17Å; E201-W203 HydrophobicContact CG-CZ2 4.5Å; E201-W203 PolarHBondContact O-N 3.08Å; W203-I210 HydrophobicContact CE3-CB 4.35Å; W203-I210 HydrophobicContact CE3-CG2 3.93Å; W203-I210 HydrophobicContact CH2-CG2 4.1Å; W203-I210 HydrophobicContact CZ3-CB 4.38Å; W203-I210 HydrophobicContact CZ3-CG2 3.5Å; W203-I210 VanDerWaalsContact CZ3-CG2 3.5Å; W203-L212 HydrophobicContact CD2-CD1 4.17Å; W203-L212 HydrophobicContact CE3-CB 3.94Å; W203-L212 HydrophobicContact CE3-CD1 3.75Å; W203-L212 HydrophobicContact CE3-CG 4.45Å; W203-L212 HydrophobicContact CZ3-CD1 4.04Å; W203-V215 HydrophobicContact CH2-CB 4.21Å; W203-V215 HydrophobicContact CH2-CG1 3.96Å; W203-V215 HydrophobicContact CH2-CG2 4.32Å; W203-V215 HydrophobicContact CZ3-CB 3.85Å; W203-V215 HydrophobicContact CZ3-CG1 4.14Å; W203-V215 HydrophobicContact CZ3-CG2 3.86Å
204	T	94.4	Very high	93.4	Very high	14 Å²	14	38.1 Å²	38.1	9%	0.086	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	160.5	178.7	72.5	0	0	0	0	111.7	Q202 D206 G209 I210 N211 L212	Q202-T204 HydrophobicContact CG-CG2 4.46Å; T204-D206 PolarHBondContact OG1-O 3.37Å; T204-D206 VanDerWaalsContact OG1-O 3.13Å; T204-G209 PolarHBondContact OG1-N 3.32Å; T204-I210 PolarHBondContact N-O 3.26Å; T204-N211 WeakPolarHBondContact O-CA 3.3Å; T204-L212 PolarHBondContact O-N 3.36Å
205	K	90.4	Very high	93.5	Very high	154 Å²	154	37.7 Å²	37.7	67%	0.67	20%	0.2	S	C	*	.	S	Bend	trans	-93.4	-8.8	173.8	67.4	-178.8	179	-174.6	0	113.2	L125 N211	L125-K205 HydrophobicContact CD2-CB 4.37Å; K205-N211 PolarHBondContact O-ND2 2.81Å; K205-N211 VanDerWaalsContact O-ND2 3.12Å
206	D	85.1	Confident	93.5	Very high	66 Å²	66	37.8 Å²	37.8	35%	0.353	20%	0.201	S	C	.	.	S	Bend	trans	-123.7	-158.8	-176.9	60	35.7	0	0	0	110.3	T204 T208 N211	T204-D206 PolarHBondContact OG1-O 3.37Å; T204-D206 VanDerWaalsContact OG1-O 3.13Å; D206-T208 VanDerWaalsContact OD1-CB 3.27Å; D206-T208 WeakPolarHBondContact OD1-CB 3.43Å; D206-T208 WeakPolarHBondContact OD1-CG2 3.31Å; D206-T208 PolarHBondContact OD1-N 3.3Å; D206-T208 PolarHBondContact OD1-OG1 3.05Å; D206-N211 PolarHBondContact N-ND2 2.92Å; D206-N211 PolarHBondContact O-ND2 3.47Å
207	T	80.4	Confident	93.5	Very high	84 Å²	84	37.1 Å²	37.1	52%	0.515	20%	0.198	S	C	.	.	S	Bend	trans	-95.9	8.1	-176.9	62.2	0	0	0	0	113.4	G209 L246	T207-G209 VanDerWaalsContact C-N 3.26Å; T207-G209 PolarHBondContact O-N 3.44Å; T207-L246 HydrophobicContact CG2-CD1 4.11Å; T207-L246 HydrophobicContact CG2-CG 4.47Å
208	T	82.6	Confident	93.5	Very high	111 Å²	111	37.6 Å²	37.6	68%	0.681	20%	0.2	S	C	*	.	S	Bend	trans	-78.6	-10.3	-178	61.6	0	0	0	0	113.7	D206	D206-T208 VanDerWaalsContact OD1-CB 3.27Å; D206-T208 WeakPolarHBondContact OD1-CB 3.43Å; D206-T208 WeakPolarHBondContact OD1-CG2 3.31Å; D206-T208 PolarHBondContact OD1-N 3.3Å; D206-T208 PolarHBondContact OD1-OG1 3.05Å
209	G	85.3	Confident	93.5	Very high	21 Å²	21	37.7 Å²	37.7	22%	0.216	20%	0.2	C	C	.	.	S	Bend	trans	-157.5	-147.3	-179.5	0	0	0	0	0	111.5	T204 T207 N211 Y240	T204-G209 PolarHBondContact OG1-N 3.32Å; T207-G209 VanDerWaalsContact C-N 3.26Å; T207-G209 PolarHBondContact O-N 3.44Å; G209-N211 PolarHBondContact O-N 2.82Å; G209-Y240 PolarHBondContact O-OH 3.25Å
210	I	93.5	Very high	93.5	Very high	19 Å²	19	35.4 Å²	35.4	10%	0.097	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	114.8	177.4	-54.5	-56.6	0	0	0	109.2	P90 L181 Q202 W203 T204 L212 V215 Y240	P90-I210 HydrophobicContact CB-CD1 4.46Å; P90-I210 HydrophobicContact CG-CD1 4.47Å; L181-I210 HydrophobicContact CD1-CD1 4.23Å; L181-I210 HydrophobicContact CD1-CG2 3.79Å; L181-I210 HydrophobicContact CD2-CD1 3.87Å; L181-I210 HydrophobicContact CD2-CG1 3.8Å; L181-I210 HydrophobicContact CD2-CG2 3.99Å; L181-I210 HydrophobicContact CG-CG2 4.37Å; Q202-I210 PolarHBondContact O-N 2.66Å; W203-I210 HydrophobicContact CE3-CB 4.35Å; W203-I210 HydrophobicContact CE3-CG2 3.93Å; W203-I210 HydrophobicContact CH2-CG2 4.1Å; W203-I210 HydrophobicContact CZ3-CB 4.38Å; W203-I210 HydrophobicContact CZ3-CG2 3.5Å; W203-I210 VanDerWaalsContact CZ3-CG2 3.5Å; T204-I210 PolarHBondContact N-O 3.26Å; I210-L212 PolarHBondContact O-N 2.99Å; I210-V215 HydrophobicContact CG2-CG2 3.67Å; I210-Y240 HydrophobicContact CD1-CD1 3.79Å; I210-Y240 HydrophobicContact CD1-CE1 3.67Å; I210-Y240 HydrophobicContact CD1-CG 4.5Å; I210-Y240 HydrophobicContact CG2-CE2 4.37Å
211	N	94.3	Very high	93.5	Very high	2 Å²	2	33 Å²	33	1%	0.011	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	112.9	-174.4	-170.1	-89.2	0	0	0	110.6	T204 K205 D206 G209 F213 L214 V215 Y240 L246	T204-N211 WeakPolarHBondContact O-CA 3.3Å; K205-N211 PolarHBondContact O-ND2 2.81Å; K205-N211 VanDerWaalsContact O-ND2 3.12Å; D206-N211 PolarHBondContact N-ND2 2.92Å; D206-N211 PolarHBondContact O-ND2 3.47Å; G209-N211 PolarHBondContact O-N 2.82Å; N211-F213 VanDerWaalsContact C-N 3.27Å; N211-F213 PolarHBondContact O-N 3.39Å; N211-F213 WeakPolarHBondContact OD1-CB 3.32Å; N211-F213 PolarHBondContact OD1-N 2.8Å; N211-L214 HydrophobicContact CB-CB 4.32Å; N211-L214 HydrophobicContact CB-CD1 4.06Å; N211-L214 HydrophobicContact CB-CG 4.16Å; N211-L214 PolarHBondContact O-N 3.43Å; N211-L214 PolarHBondContact OD1-N 3.28Å; N211-V215 PolarHBondContact O-N 2.92Å; N211-Y240 WeakPolarHBondContact CB-OH 3.48Å; N211-Y240 PolarHBondContact N-OH 3.02Å; N211-L246 VanDerWaalsContact ND2-CD1 3.28Å; N211-L246 WeakPolarHBondContact ND2-CD1 3.47Å
212	L	97.1	Very high	93.4	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-58.9	-37.1	-176.1	178.9	60.7	0	0	0	112.8	L125 I130 A133 F163 F197 W203 T204 I210 A216	L125-L212 HydrophobicContact CD1-CB 4.32Å; L125-L212 HydrophobicContact CD1-CD2 4.15Å; I130-L212 HydrophobicContact CB-CD2 4.21Å; I130-L212 HydrophobicContact CG1-CD2 3.94Å; I130-L212 HydrophobicContact CG2-CD2 4.03Å; A133-L212 HydrophobicContact CB-CB 4.37Å; A133-L212 HydrophobicContact CB-CD2 4.06Å; A133-L212 HydrophobicContact CB-CG 4.1Å; F163-L212 HydrophobicContact CE1-CD1 3.87Å; F163-L212 HydrophobicContact CE1-CD2 4.43Å; F163-L212 HydrophobicContact CZ-CD1 3.99Å; F163-L212 HydrophobicContact CZ-CD2 4.06Å; F197-L212 HydrophobicContact CD1-CD1 3.83Å; F197-L212 HydrophobicContact CE1-CD1 3.99Å; W203-L212 HydrophobicContact CD2-CD1 4.17Å; W203-L212 HydrophobicContact CE3-CB 3.94Å; W203-L212 HydrophobicContact CE3-CD1 3.75Å; W203-L212 HydrophobicContact CE3-CG 4.45Å; W203-L212 HydrophobicContact CZ3-CD1 4.04Å; T204-L212 PolarHBondContact O-N 3.36Å; I210-L212 PolarHBondContact O-N 2.99Å; L212-A216 WeakPolarHBondContact O-CB 3.38Å; L212-A216 PolarHBondContact O-N 2.88Å
213	F	95.8	Very high	93.5	Very high	28 Å²	28	25.9 Å²	25.9	12%	0.123	14%	0.142	C	C	.	.	H	α-helix	trans	-64.2	-43.6	179.4	157	-102.9	0	0	0	112.1	A133 K136 A137 V140 N211 A217 L246 F249	A133-F213 HydrophobicContact CB-CB 4.14Å; K136-F213 HydrophobicContact CB-CD2 3.55Å; K136-F213 HydrophobicContact CB-CE2 3.63Å; A137-F213 HydrophobicContact CB-CD2 4.15Å; A137-F213 HydrophobicContact CB-CE2 4.47Å; V140-F213 HydrophobicContact CG2-CE2 3.79Å; V140-F213 HydrophobicContact CG2-CZ 3.79Å; N211-F213 VanDerWaalsContact C-N 3.27Å; N211-F213 PolarHBondContact O-N 3.39Å; N211-F213 WeakPolarHBondContact OD1-CB 3.32Å; N211-F213 PolarHBondContact OD1-N 2.8Å; F213-A217 VanDerWaalsContact O-CB 3.3Å; F213-A217 WeakPolarHBondContact O-CB 3.49Å; F213-A217 PolarHBondContact O-N 3.25Å; F213-L246 HydrophobicContact CD1-CD2 4.25Å; F213-F249 HydrophobicContact CE1-CB 4.39Å; F213-F249 AromaticContact CE1-CD1 3.81Å; F213-F249 HydrophobicContact CE1-CD1 3.81Å; F213-F249 HydrophobicContact CE1-CE1 4.29Å; F213-F249 AromaticContact CE1-CG 3.98Å; F213-F249 HydrophobicContact CE1-CG 3.98Å; F213-F249 AromaticContact CZ-CD1 3.62Å; F213-F249 HydrophobicContact CZ-CD1 3.62Å; F213-F249 AromaticContact CZ-CE1 3.89Å; F213-F249 HydrophobicContact CZ-CE1 3.89Å; F213-F249 HydrophobicContact CZ-CG 4.28Å
214	L	93.5	Very high	93.5	Very high	13 Å²	13	25.8 Å²	25.8	7%	0.068	14%	0.142	C	C	.	.	H	α-helix	trans	-65.9	-47.3	-179.4	-68.5	179.2	0	0	0	111.7	N211 A217 H218 Y240 T244 L246 F249	N211-L214 HydrophobicContact CB-CB 4.32Å; N211-L214 HydrophobicContact CB-CD1 4.06Å; N211-L214 HydrophobicContact CB-CG 4.16Å; N211-L214 PolarHBondContact O-N 3.43Å; N211-L214 PolarHBondContact OD1-N 3.28Å; L214-A217 PolarHBondContact O-N 3.24Å; L214-H218 PolarHBondContact O-N 3.11Å; L214-H218 VanDerWaalsContact O-N 3.11Å; L214-Y240 HydrophobicContact CB-CE2 4.34Å; L214-Y240 HydrophobicContact CD1-CE2 4.27Å; L214-T244 HydrophobicContact CD1-CG2 4.06Å; L214-T244 HydrophobicContact CD2-CG2 4.03Å; L214-L246 HydrophobicContact CD1-CD2 3.65Å; L214-L246 HydrophobicContact CD2-CD2 3.86Å; L214-L246 HydrophobicContact CG-CD2 3.62Å; L214-F249 HydrophobicContact CD2-CD2 3.63Å; L214-F249 HydrophobicContact CD2-CE2 3.78Å; L214-F249 HydrophobicContact CD2-CG 4.3Å
215	V	97.8	Very high	93.2	Very high	8 Å²	8	25.4 Å²	25.4	5%	0.048	14%	0.14	C	C	.	.	H	α-helix	trans	-64.7	-45.1	178.7	-177.8	0	0	0	0	109.8	L181 A182 F197 W203 I210 N211 A217 H218 E219 Y240	L181-V215 HydrophobicContact CB-CG1 4.31Å; L181-V215 HydrophobicContact CD1-CG2 3.98Å; A182-V215 HydrophobicContact CB-CG1 3.53Å; F197-V215 HydrophobicContact CD1-CG1 4.17Å; F197-V215 HydrophobicContact CE1-CB 4.43Å; F197-V215 HydrophobicContact CE1-CG1 4.01Å; W203-V215 HydrophobicContact CH2-CB 4.21Å; W203-V215 HydrophobicContact CH2-CG1 3.96Å; W203-V215 HydrophobicContact CH2-CG2 4.32Å; W203-V215 HydrophobicContact CZ3-CB 3.85Å; W203-V215 HydrophobicContact CZ3-CG1 4.14Å; W203-V215 HydrophobicContact CZ3-CG2 3.86Å; I210-V215 HydrophobicContact CG2-CG2 3.67Å; N211-V215 PolarHBondContact O-N 2.92Å; V215-A217 VanDerWaalsContact C-N 3.31Å; V215-A217 PolarHBondContact O-N 2.72Å; V215-H218 WeakPolarHBondContact O-CB 3.41Å; V215-H218 PolarHBondContact O-N 2.99Å; V215-H218 VanDerWaalsContact O-N 3.1Å; V215-E219 HydrophobicContact CG1-CG 4.12Å; V215-E219 WeakPolarHBondContact O-CG 3.25Å; V215-E219 PolarHBondContact O-N 2.87Å; V215-Y240 HydrophobicContact CG2-CD2 4.04Å; V215-Y240 HydrophobicContact CG2-CE2 4.12Å
216	A	98.4	Very high	93	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.008	11%	0.112	C	C	.	.	H	α-helix	trans	-61.8	-38.8	177.8	0	0	0	0	0	112.8	I134 A137 F197 L212 H218 E219 L220	I134-A216 HydrophobicContact CD1-CB 3.58Å; A137-A216 HydrophobicContact CB-CB 3.78Å; F197-A216 HydrophobicContact CE1-CB 3.82Å; F197-A216 HydrophobicContact CZ-CB 3.73Å; L212-A216 WeakPolarHBondContact O-CB 3.38Å; L212-A216 PolarHBondContact O-N 2.88Å; A216-H218 VanDerWaalsContact C-N 3.3Å; A216-H218 PolarHBondContact O-N 3.03Å; A216-E219 PolarHBondContact O-N 2.95Å; A216-L220 VanDerWaalsContact O-CB 3.28Å; A216-L220 WeakPolarHBondContact O-CB 3.39Å; A216-L220 WeakPolarHBondContact O-CG 3.42Å; A216-L220 PolarHBondContact O-N 2.83Å
217	A	97.8	Very high	93.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62.6	-40.8	176.4	0	0	0	0	0	111.1	A137 W141 F213 L214 V215 G221 L235	A137-A217 HydrophobicContact CB-CB 4.01Å; W141-A217 PolarHBondContact NE1-O 2.84Å; F213-A217 VanDerWaalsContact O-CB 3.3Å; F213-A217 WeakPolarHBondContact O-CB 3.49Å; F213-A217 PolarHBondContact O-N 3.25Å; L214-A217 PolarHBondContact O-N 3.24Å; V215-A217 VanDerWaalsContact C-N 3.31Å; V215-A217 PolarHBondContact O-N 2.72Å; A217-G221 PolarHBondContact O-N 2.71Å; A217-L235 HydrophobicContact CB-CD1 4.19Å; A217-L235 HydrophobicContact CB-CD2 3.66Å
218	H	97.7	Very high	93.5	Very high	12 Å²	12	16.6 Å²	16.6	6%	0.056	9%	0.093	C	C	.	.	H	α-helix	trans	-63	-53.8	175.5	-179	107.6	0	0	0	111.9	C92 L214 V215 A216 L220 G221 H222 H228 L235 Y237	C92-H218 WeakPolarHBondContact CB-NE2 3.32Å; L214-H218 PolarHBondContact O-N 3.11Å; L214-H218 VanDerWaalsContact O-N 3.11Å; V215-H218 WeakPolarHBondContact O-CB 3.41Å; V215-H218 PolarHBondContact O-N 2.99Å; V215-H218 VanDerWaalsContact O-N 3.1Å; A216-H218 VanDerWaalsContact C-N 3.3Å; A216-H218 PolarHBondContact O-N 3.03Å; H218-L220 VanDerWaalsContact C-N 3.26Å; H218-L220 PolarHBondContact O-N 2.98Å; H218-G221 WeakPolarHBondContact O-CA 2.94Å; H218-G221 PolarHBondContact O-N 3.45Å; H218-H222 AromaticContact CD2-CD2 3.85Å; H218-H222 AromaticContact CD2-NE2 3.77Å; H218-H222 AromaticContact NE2-CD2 3.84Å; H218-H222 AromaticContact NE2-NE2 3.26Å; H218-H222 PolarHBondContact NE2-NE2 3.14Å; H218-H222 PolarHBondContact O-N 3.43Å; H218-H228 AromaticContact CE1-CD2 3.61Å; H218-H228 AromaticContact CE1-NE2 3.72Å; H218-H228 AromaticContact NE2-CD2 3.44Å; H218-H228 PolarHBondContact NE2-CD2 2.91Å; H218-H228 AromaticContact NE2-NE2 3.22Å; H218-H228 PolarHBondContact NE2-NE2 3.22Å; H218-L235 HydrophobicContact CB-CD1 4.18Å; H218-L235 HydrophobicContact CB-CG 4.33Å; H218-L235 PolarHBondContact ND1-O 3.41Å; H218-Y237 PolarHBondContact CE1-O 2.96Å; H218-Y237 VanDerWaalsContact CE1-O 3.27Å
219	E	98.1	Very high	93.7	Very high	2 Å²	2	12 Å²	12	1%	0.009	7%	0.065	C	C	.	.	H	α-helix	trans	-62.8	-34.1	-178.6	-61.1	-44.2	140.7	0	0	112.4	C92 A182 H183 A184 A195 F197 V215 A216 G221 H222 S223	C92-E219 PolarHBondContact SG-OE1 3.28Å; C92-E219 PolarHBondContact SG-OE2 2.92Å; C92-E219 VanDerWaalsContact SG-OE2 3.41Å; A182-E219 HydrophobicContact CB-CG 3.56Å; H183-E219 WeakPolarHBondContact CA-OE2 3.35Å; A184-E219 HydrophobicContact CB-CB 3.93Å; A184-E219 VanDerWaalsContact CB-O 3.22Å; A184-E219 WeakPolarHBondContact CB-O 3.15Å; A184-E219 PolarHBondContact N-OE2 2.79Å; A184-E219 VanDerWaalsContact N-OE2 3.14Å; A195-E219 HydrophobicContact CB-CB 4.16Å; F197-E219 HydrophobicContact CE1-CG 4.32Å; F197-E219 HydrophobicContact CZ-CB 4.35Å; F197-E219 HydrophobicContact CZ-CG 4.34Å; V215-E219 HydrophobicContact CG1-CG 4.12Å; V215-E219 WeakPolarHBondContact O-CG 3.25Å; V215-E219 PolarHBondContact O-N 2.87Å; A216-E219 PolarHBondContact O-N 2.95Å; E219-G221 VanDerWaalsContact C-N 3.26Å; E219-G221 PolarHBondContact O-N 3.18Å; E219-H222 WeakPolarHBondContact O-CB 3.21Å; E219-H222 PolarHBondContact O-N 3.26Å; E219-H222 VanDerWaalsContact O-N 3.17Å; E219-H222 IonicContact OE2-CD2 3.62Å; E219-S223 PolarHBondContact O-N 3.12Å; E219-S223 PolarHBondContact O-OG 3.42Å
220	L	98.4	Very high	93.5	Very high	4 Å²	4	13.5 Å²	13.5	2%	0.021	8%	0.076	C	C	.	.	H	α-helix	trans	-67.6	-27.3	172.6	-70.4	175	0	0	0	112.3	A137 V138 I159 I161 A216 H218 H222 S223 L224	A137-L220 HydrophobicContact CB-CD1 3.82Å; V138-L220 HydrophobicContact CB-CD1 4.41Å; V138-L220 HydrophobicContact CG2-CD1 3.53Å; I159-L220 HydrophobicContact CD1-CD2 4.28Å; I159-L220 HydrophobicContact CG2-CD2 3.81Å; I161-L220 HydrophobicContact CD1-CD2 4.44Å; A216-L220 VanDerWaalsContact O-CB 3.28Å; A216-L220 WeakPolarHBondContact O-CB 3.39Å; A216-L220 WeakPolarHBondContact O-CG 3.42Å; A216-L220 PolarHBondContact O-N 2.83Å; H218-L220 VanDerWaalsContact C-N 3.26Å; H218-L220 PolarHBondContact O-N 2.98Å; L220-H222 VanDerWaalsContact C-N 3.34Å; L220-S223 WeakPolarHBondContact O-CB 3.32Å; L220-S223 PolarHBondContact O-N 2.93Å; L220-L224 WeakPolarHBondContact O-CB 3.33Å; L220-L224 WeakPolarHBondContact O-CG 3.39Å; L220-L224 PolarHBondContact O-N 3.41Å
221	G	96.6	Very high	92.9	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-60	-44.4	169.1	0	0	0	0	0	111.9	A217 H218 E219 L224 G225 L226	A217-G221 PolarHBondContact O-N 2.71Å; H218-G221 WeakPolarHBondContact O-CA 2.94Å; H218-G221 PolarHBondContact O-N 3.45Å; E219-G221 VanDerWaalsContact C-N 3.26Å; E219-G221 PolarHBondContact O-N 3.18Å; G221-L224 CarbonylContact O-C 3.54Å; G221-L224 PolarHBondContact O-N 3.41Å; G221-G225 PolarHBondContact O-N 3.25Å; G221-G225 VanDerWaalsContact O-N 3.12Å; G221-L226 WeakPolarHBondContact O-CB 3.48Å; G221-L226 PolarHBondContact O-N 2.93Å
222	H	94.1	Very high	92.4	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.9	-44.3	171.7	-69.7	-47.6	0	0	0	112.5	A184 H218 E219 L220 L224 G225 L226 H228 M236	A184-H222 HydrophobicContact CB-CB 3.9Å; H218-H222 AromaticContact CD2-CD2 3.85Å; H218-H222 AromaticContact CD2-NE2 3.77Å; H218-H222 AromaticContact NE2-CD2 3.84Å; H218-H222 AromaticContact NE2-NE2 3.26Å; H218-H222 PolarHBondContact NE2-NE2 3.14Å; H218-H222 PolarHBondContact O-N 3.43Å; E219-H222 WeakPolarHBondContact O-CB 3.21Å; E219-H222 PolarHBondContact O-N 3.26Å; E219-H222 VanDerWaalsContact O-N 3.17Å; E219-H222 IonicContact OE2-CD2 3.62Å; L220-H222 VanDerWaalsContact C-N 3.34Å; H222-L224 PolarHBondContact O-N 2.8Å; H222-L224 VanDerWaalsContact O-N 3.08Å; H222-G225 WeakPolarHBondContact O-CA 3.49Å; H222-G225 PolarHBondContact O-N 3.47Å; H222-L226 PolarHBondContact ND1-O 3.44Å; H222-H228 AromaticContact CE1-CD2 3.45Å; H222-H228 PolarHBondContact CE1-CD2 2.83Å; H222-H228 VanDerWaalsContact CE1-CD2 3.45Å; H222-H228 AromaticContact CE1-NE2 3.78Å; H222-H228 AromaticContact NE2-CD2 3.34Å; H222-H228 PolarHBondContact NE2-CD2 3.34Å; H222-H228 VanDerWaalsContact NE2-CD2 3.34Å; H222-H228 AromaticContact NE2-NE2 3.25Å; H222-H228 PolarHBondContact NE2-NE2 2.93Å; H222-M236 WeakPolarHBondContact CE1-CE 3.46Å
223	S	96.2	Very high	91.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-57.9	-23.9	175.5	-51.3	0	0	0	0	112.6	W109 Y185 P187 G193 E219 L220	W109-S223 PolarHBondContact NE1-O 2.8Å; Y185-S223 WeakPolarHBondContact O-CA 3.11Å; P187-S223 WeakPolarHBondContact CG-O 3.3Å; G193-S223 VanDerWaalsContact O-CB 3.3Å; G193-S223 WeakPolarHBondContact O-CB 3.02Å; G193-S223 PolarHBondContact O-OG 3.42Å; G193-S223 VanDerWaalsContact O-OG 3.11Å; E219-S223 PolarHBondContact O-N 3.12Å; E219-S223 PolarHBondContact O-OG 3.42Å; L220-S223 WeakPolarHBondContact O-CB 3.32Å; L220-S223 PolarHBondContact O-N 2.93Å
224	L	95.5	Very high	91.3	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-4.8	175.7	-65.2	175.9	0	0	0	113.9	L114 W141 L147 F149 P187 L220 G221 H222 I259 L262 Y263	L114-L224 HydrophobicContact CD1-CD2 3.46Å; L114-L224 VanDerWaalsContact CD1-CD2 3.46Å; W141-L224 HydrophobicContact CB-CD1 3.58Å; W141-L224 HydrophobicContact CD2-CD1 4.16Å; W141-L224 HydrophobicContact CG-CD1 3.57Å; L147-L224 HydrophobicContact CD1-CD1 4.02Å; L147-L224 HydrophobicContact CD1-CD2 3.67Å; L147-L224 HydrophobicContact CD1-CG 4.39Å; F149-L224 HydrophobicContact CE1-CD2 4.12Å; F149-L224 HydrophobicContact CZ-CD1 4.14Å; F149-L224 HydrophobicContact CZ-CD2 3.95Å; P187-L224 VanDerWaalsContact CG-C 3.48Å; L220-L224 WeakPolarHBondContact O-CB 3.33Å; L220-L224 WeakPolarHBondContact O-CG 3.39Å; L220-L224 PolarHBondContact O-N 3.41Å; G221-L224 CarbonylContact O-C 3.54Å; G221-L224 PolarHBondContact O-N 3.41Å; H222-L224 PolarHBondContact O-N 2.8Å; H222-L224 VanDerWaalsContact O-N 3.08Å; L224-I259 HydrophobicContact CB-CD1 3.78Å; L224-I259 HydrophobicContact CD1-CD1 4.06Å; L224-L262 WeakPolarHBondContact O-CD1 3.34Å; L224-Y263 HydrophobicContact CB-CE2 4.2Å; L224-Y263 VanDerWaalsContact O-CE2 3.24Å; L224-Y263 WeakPolarHBondContact O-CE2 3.42Å; L224-Y263 PolarHBondContact O-OH 3.49Å
225	G	88.2	Confident	91.2	Very high	6 Å²	6	25.9 Å²	25.9	6%	0.062	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	103.6	11.1	173.1	0	0	0	0	0	115.3	P107 P187 G221 H222	P107-G225 WeakPolarHBondContact O-CA 3.23Å; P187-G225 VanDerWaalsContact CD-CA 3.43Å; G221-G225 PolarHBondContact O-N 3.25Å; G221-G225 VanDerWaalsContact O-N 3.12Å; H222-G225 WeakPolarHBondContact O-CA 3.49Å; H222-G225 PolarHBondContact O-N 3.47Å
226	L	87.8	Confident	91	Very high	14 Å²	14	25.7 Å²	25.7	7%	0.073	14%	0.141	C	C	.	.			trans	-77.8	154	171.7	-60.1	-179.3	0	0	0	111.8	W141 G221 H222 M236 G258 I259 L262	W141-L226 HydrophobicContact CE3-CD1 4.41Å; W141-L226 HydrophobicContact CH2-CD1 3.31Å; W141-L226 HydrophobicContact CZ2-CD1 4.08Å; W141-L226 HydrophobicContact CZ3-CD1 3.51Å; G221-L226 WeakPolarHBondContact O-CB 3.48Å; G221-L226 PolarHBondContact O-N 2.93Å; H222-L226 PolarHBondContact ND1-O 3.44Å; L226-M236 HydrophobicContact CB-CE 4.06Å; L226-M236 HydrophobicContact CB-CG 4.16Å; L226-M236 HydrophobicContact CB-SD 4.28Å; L226-M236 HydrophobicContact CD1-CG 3.85Å; L226-M236 HydrophobicContact CD1-SD 4.2Å; L226-G258 VanDerWaalsContact CD2-C 3.45Å; L226-I259 HydrophobicContact CD1-CB 4.17Å; L226-I259 HydrophobicContact CD1-CD1 4Å; L226-I259 HydrophobicContact CD2-CB 4.34Å; L226-I259 HydrophobicContact CD2-CD1 4.21Å; L226-I259 HydrophobicContact CG-CD1 3.95Å; L226-L262 HydrophobicContact CD2-CD1 3.86Å; L226-L262 HydrophobicContact CG-CD1 4.48Å
227	F	86.6	Confident	90.6	Very high	88 Å²	88	27 Å²	27	39%	0.386	15%	0.146	S	C	.	.			trans	-106.5	167.8	173.1	-71.4	-107.7	0	0	0	109.5	F100 P107 S229	F100-F227 HydrophobicContact CB-CD1 4.36Å; F100-F227 HydrophobicContact CB-CE1 3.37Å; F100-F227 HydrophobicContact CB-CZ 3.47Å; F100-F227 VanDerWaalsContact CB-CZ 3.47Å; F100-F227 AromaticContact CD2-CD1 3.33Å; F100-F227 HydrophobicContact CD2-CD1 3.33Å; F100-F227 AromaticContact CD2-CE1 3.22Å; F100-F227 HydrophobicContact CD2-CE1 3.22Å; F100-F227 HydrophobicContact CD2-CG 4.26Å; F100-F227 HydrophobicContact CD2-CZ 4.03Å; F100-F227 AromaticContact CE2-CD1 3.91Å; F100-F227 HydrophobicContact CE2-CD1 3.91Å; F100-F227 HydrophobicContact CE2-CE1 4.23Å; F100-F227 HydrophobicContact CG-CD1 4.18Å; F100-F227 AromaticContact CG-CE1 3.65Å; F100-F227 HydrophobicContact CG-CE1 3.65Å; F100-F227 HydrophobicContact CG-CZ 4.05Å; P107-F227 HydrophobicContact CG-CE2 3.89Å; P107-F227 HydrophobicContact CG-CZ 4.41Å; F227-S229 PolarHBondContact O-N 3.3Å
228	H	89.4	Confident	90.3	Very high	17 Å²	17	27.1 Å²	27.1	8%	0.079	15%	0.147	C	C	.	.			trans	-55.7	137	167.7	-72.6	159.9	0	0	0	111.6	F70 C92 V94 D96 H218 H222 M236	F70-H228 HydrophobicContact CE1-CB 4.14Å; F70-H228 HydrophobicContact CZ-CB 3.75Å; C92-H228 WeakPolarHBondContact CB-NE2 3.36Å; V94-H228 PolarHBondContact O-CE1 2.9Å; D96-H228 IonicContact OD1-CE1 3.69Å; D96-H228 PolarHBondContact OD1-CE1 3.34Å; D96-H228 IonicContact OD1-CG 2.62Å; D96-H228 IonicContact OD1-ND1 3.43Å; D96-H228 PolarHBondContact OD1-ND1 3.43Å; H218-H228 AromaticContact CE1-CD2 3.61Å; H218-H228 AromaticContact CE1-NE2 3.72Å; H218-H228 AromaticContact NE2-CD2 3.44Å; H218-H228 PolarHBondContact NE2-CD2 2.91Å; H218-H228 AromaticContact NE2-NE2 3.22Å; H218-H228 PolarHBondContact NE2-NE2 3.22Å; H222-H228 AromaticContact CE1-CD2 3.45Å; H222-H228 PolarHBondContact CE1-CD2 2.83Å; H222-H228 VanDerWaalsContact CE1-CD2 3.45Å; H222-H228 AromaticContact CE1-NE2 3.78Å; H222-H228 AromaticContact NE2-CD2 3.34Å; H222-H228 PolarHBondContact NE2-CD2 3.34Å; H222-H228 VanDerWaalsContact NE2-CD2 3.34Å; H222-H228 AromaticContact NE2-NE2 3.25Å; H222-H228 PolarHBondContact NE2-NE2 2.93Å; H228-M236 CarbonylContact C-O 3.5Å; H228-M236 WeakPolarHBondContact CA-O 3.18Å
229	S	85.2	Confident	90	Very high	14 Å²	14	27.2 Å²	27.2	10%	0.098	15%	0.147	C	C	.	.			trans	-95.5	146.1	172.5	-177.3	0	0	0	0	110.5	F227 N231 M236 Y237 D254	F227-S229 PolarHBondContact O-N 3.3Å; S229-N231 VanDerWaalsContact C-N 3.26Å; S229-N231 WeakPolarHBondContact OG-CB 3.45Å; S229-N231 PolarHBondContact OG-N 3.44Å; S229-M236 PolarHBondContact N-O 3.49Å; S229-Y237 WeakPolarHBondContact O-CD2 3.32Å; S229-D254 VanDerWaalsContact CB-OD2 3.22Å; S229-D254 WeakPolarHBondContact CB-OD2 3.19Å; S229-D254 PolarHBondContact OG-OD2 2.85Å
230	A	82.6	Confident	89.6	Confident	53 Å²	53	28.8 Å²	28.8	44%	0.438	15%	0.153	S	C	.	.	S	Bend	trans	-82.8	-4.7	168.4	0	0	0	0	0	112.4	F70 T232	F70-A230 HydrophobicContact CD2-CB 4.39Å; F70-A230 HydrophobicContact CE2-CB 4.42Å; F70-A230 WeakPolarHBondContact O-CB 3.31Å; A230-T232 PolarHBondContact O-N 3.13Å
231	N	80.9	Confident	88.8	Confident	54 Å²	54	33.7 Å²	33.7	29%	0.289	18%	0.176	S	C	.	.			trans	-79.2	114.9	175	-178.4	-4.2	0	0	0	109.6	S229 E233 A234 Y237 D254	S229-N231 VanDerWaalsContact C-N 3.26Å; S229-N231 WeakPolarHBondContact OG-CB 3.45Å; S229-N231 PolarHBondContact OG-N 3.44Å; N231-E233 PolarHBondContact O-N 2.71Å; N231-E233 VanDerWaalsContact O-N 3.13Å; N231-E233 PolarHBondContact OD1-N 3Å; N231-A234 HydrophobicContact CB-CB 4.01Å; N231-A234 VanDerWaalsContact O-CB 3.27Å; N231-A234 WeakPolarHBondContact O-CB 2.96Å; N231-A234 PolarHBondContact O-N 3.46Å; N231-Y237 WeakPolarHBondContact O-CB 3.3Å; N231-D254 HydrophobicContact CB-CB 4.32Å
232	T	83.2	Confident	87.5	Confident	78 Å²	78	36.7 Å²	36.7	48%	0.479	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-14.5	-177.6	58.3	0	0	0	0	114.5	A230 Y237	A230-T232 PolarHBondContact O-N 3.13Å; T232-Y237 HydrophobicContact CG2-CD2 4.36Å; T232-Y237 HydrophobicContact CG2-CE1 4.44Å; T232-Y237 HydrophobicContact CG2-CE2 3.84Å
233	E	80.8	Confident	86.1	Confident	161 Å²	161	43.6 Å²	43.6	75%	0.752	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	-8.4	175.4	-59.7	-175.4	159.3	0	0	112.5	N231	N231-E233 PolarHBondContact O-N 2.71Å; N231-E233 VanDerWaalsContact O-N 3.13Å; N231-E233 PolarHBondContact OD1-N 3Å
234	A	88.1	Confident	84.8	Confident	8 Å²	8	45.2 Å²	45.2	7%	0.066	24%	0.243	C	C	.	.	S	Bend	trans	-76	144	179.4	0	0	0	0	0	111.3	N231 M236 Y237 S252 D254 D255	N231-A234 HydrophobicContact CB-CB 4.01Å; N231-A234 VanDerWaalsContact O-CB 3.27Å; N231-A234 WeakPolarHBondContact O-CB 2.96Å; N231-A234 PolarHBondContact O-N 3.46Å; A234-M236 PolarHBondContact O-N 3.33Å; A234-Y237 WeakPolarHBondContact O-CB 3.48Å; A234-Y237 PolarHBondContact O-N 2.92Å; A234-Y237 VanDerWaalsContact O-N 3.09Å; A234-S252 WeakPolarHBondContact CA-OG 3.11Å; A234-D254 HydrophobicContact CB-CB 4.38Å; A234-D255 WeakPolarHBondContact CA-OD2 3.38Å
235	L	92.3	Very high	83.6	Confident	23 Å²	23	48.8 Å²	48.8	12%	0.12	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-40	169.5	173.7	65.7	0	0	0	109.9	W141 A217 H218 Y237 F249 L251 D255	W141-L235 HydrophobicContact CH2-CD2 4.17Å; W141-L235 HydrophobicContact CZ2-CD2 3.61Å; A217-L235 HydrophobicContact CB-CD1 4.19Å; A217-L235 HydrophobicContact CB-CD2 3.66Å; H218-L235 HydrophobicContact CB-CD1 4.18Å; H218-L235 HydrophobicContact CB-CG 4.33Å; H218-L235 PolarHBondContact ND1-O 3.41Å; L235-Y237 PolarHBondContact O-N 3.34Å; L235-Y237 VanDerWaalsContact O-N 3.13Å; L235-F249 HydrophobicContact CB-CZ 4.36Å; L235-F249 HydrophobicContact CD1-CE2 4.05Å; L235-F249 HydrophobicContact CD1-CZ 3.91Å; L235-F249 HydrophobicContact CD2-CZ 4.06Å; L235-F249 HydrophobicContact CG-CZ 4.33Å; L235-L251 HydrophobicContact CB-CD2 4.02Å; L235-L251 HydrophobicContact CD2-CD2 3.57Å; L235-L251 HydrophobicContact CG-CD2 4.47Å; L235-D255 PolarHBondContact N-OD1 2.91Å; L235-D255 PolarHBondContact N-OD2 2.63Å
236	M	93.8	Very high	82.7	Confident	4 Å²	4	50.9 Å²	50.9	2%	0.02	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	9	177.7	-61.8	-51.5	-56.9	0	0	114.2	W141 H222 L226 H228 S229 A234 D255	W141-M236 HydrophobicContact CH2-CG 4.23Å; W141-M236 HydrophobicContact CH2-SD 4.16Å; W141-M236 HydrophobicContact CZ2-SD 3.99Å; H222-M236 WeakPolarHBondContact CE1-CE 3.46Å; L226-M236 HydrophobicContact CB-CE 4.06Å; L226-M236 HydrophobicContact CB-CG 4.16Å; L226-M236 HydrophobicContact CB-SD 4.28Å; L226-M236 HydrophobicContact CD1-CG 3.85Å; L226-M236 HydrophobicContact CD1-SD 4.2Å; H228-M236 CarbonylContact C-O 3.5Å; H228-M236 WeakPolarHBondContact CA-O 3.18Å; S229-M236 PolarHBondContact N-O 3.49Å; A234-M236 PolarHBondContact O-N 3.33Å; M236-D255 WeakPolarHBondContact CG-OD1 3.48Å; M236-D255 PolarHBondContact N-OD1 2.9Å
237	Y	89.6	Confident	81.8	Confident	29 Å²	29	56.2 Å²	56.2	11%	0.114	31%	0.305	C	S	.	.			trans	-67.2	133.5	169.3	-172.9	-112.3	0	0	0	110.1	L71 H218 S229 N231 T232 A234 L235 L239	L71-Y237 HydrophobicContact CD2-CE2 4.14Å; L71-Y237 PolarHBondContact O-OH 3.16Å; H218-Y237 PolarHBondContact CE1-O 2.96Å; H218-Y237 VanDerWaalsContact CE1-O 3.27Å; S229-Y237 WeakPolarHBondContact O-CD2 3.32Å; N231-Y237 WeakPolarHBondContact O-CB 3.3Å; T232-Y237 HydrophobicContact CG2-CD2 4.36Å; T232-Y237 HydrophobicContact CG2-CE1 4.44Å; T232-Y237 HydrophobicContact CG2-CE2 3.84Å; A234-Y237 WeakPolarHBondContact O-CB 3.48Å; A234-Y237 PolarHBondContact O-N 2.92Å; A234-Y237 VanDerWaalsContact O-N 3.09Å; L235-Y237 PolarHBondContact O-N 3.34Å; L235-Y237 VanDerWaalsContact O-N 3.13Å; Y237-L239 VanDerWaalsContact C-N 3.32Å; Y237-L239 HydrophobicContact CD1-CB 4.08Å; Y237-L239 HydrophobicContact CD1-CG 4.45Å; Y237-L239 HydrophobicContact CE1-CB 3.66Å; Y237-L239 HydrophobicContact CE1-CD1 3.8Å; Y237-L239 HydrophobicContact CE1-CG 3.71Å; Y237-L239 PolarHBondContact O-N 3.31Å; Y237-L239 WeakPolarHBondContact OH-CD1 3.38Å
238	P	91.9	Very high	81	Confident	2 Å²	2	61.4 Å²	61.4	1%	0.013	32%	0.322	C	S	.	.	S	Bend	trans	-66.1	-27.5	-169.5	22.2	-35.4	0	0	0	115.1	F70 L71 R91 C92 D96	F70-P238 HydrophobicContact CD1-CG 4.48Å; F70-P238 HydrophobicContact CE1-CG 3.93Å; L71-P238 HydrophobicContact CD2-CG 3.68Å; R91-P238 CarbonylContact C-O 3.23Å; R91-P238 WeakPolarHBondContact CA-O 3.43Å; R91-P238 WeakPolarHBondContact CB-O 3.36Å; C92-P238 PolarHBondContact N-O 2.77Å; D96-P238 VanDerWaalsContact OD1-CB 3.32Å; D96-P238 WeakPolarHBondContact OD1-CB 3.28Å
239	L	91.1	Very high	80.6	Confident	13 Å²	13	62.7 Å²	62.7	7%	0.068	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-90.9	135.4	-175.3	-46.8	177	0	0	0	111	L71 V86 K89 R91 Y237 H241	L71-L239 HydrophobicContact CD1-CD1 4.49Å; L71-L239 HydrophobicContact CD2-CD1 4.22Å; L71-L239 HydrophobicContact CD2-CD2 4.45Å; L71-L239 HydrophobicContact CD2-CG 4.18Å; V86-L239 HydrophobicContact CG1-CD1 3.66Å; K89-L239 HydrophobicContact CD-CD1 4.4Å; R91-L239 HydrophobicContact CB-CD2 3.86Å; Y237-L239 VanDerWaalsContact C-N 3.32Å; Y237-L239 HydrophobicContact CD1-CB 4.08Å; Y237-L239 HydrophobicContact CD1-CG 4.45Å; Y237-L239 HydrophobicContact CE1-CB 3.66Å; Y237-L239 HydrophobicContact CE1-CD1 3.8Å; Y237-L239 HydrophobicContact CE1-CG 3.71Å; Y237-L239 PolarHBondContact O-N 3.31Å; Y237-L239 WeakPolarHBondContact OH-CD1 3.38Å; L239-H241 PolarHBondContact O-N 2.81Å
240	Y	90.1	Very high	80.3	Confident	35 Å²	35	72.3 Å²	72.3	14%	0.137	36%	0.362	C	S	.	.			trans	-68.4	131.2	177.6	179.8	-106.8	0	0	0	111.8	P90 L181 G209 I210 N211 L214 V215	P90-Y240 WeakPolarHBondContact O-CB 3.24Å; P90-Y240 PolarHBondContact O-N 3.17Å; L181-Y240 HydrophobicContact CD1-CD1 4.44Å; L181-Y240 HydrophobicContact CD1-CD2 3.97Å; L181-Y240 HydrophobicContact CD1-CG 3.75Å; G209-Y240 PolarHBondContact O-OH 3.25Å; I210-Y240 HydrophobicContact CD1-CD1 3.79Å; I210-Y240 HydrophobicContact CD1-CE1 3.67Å; I210-Y240 HydrophobicContact CD1-CG 4.5Å; I210-Y240 HydrophobicContact CG2-CE2 4.37Å; N211-Y240 WeakPolarHBondContact CB-OH 3.48Å; N211-Y240 PolarHBondContact N-OH 3.02Å; L214-Y240 HydrophobicContact CB-CE2 4.34Å; L214-Y240 HydrophobicContact CD1-CE2 4.27Å; V215-Y240 HydrophobicContact CG2-CD2 4.04Å; V215-Y240 HydrophobicContact CG2-CE2 4.12Å
241	H	80.8	Confident	80.5	Confident	108 Å²	108	70.8 Å²	70.8	50%	0.5	35%	0.346	S	S	.	.			trans	-110.9	96.9	179.5	-165.2	167.7	0	0	0	111.2	L239 L243 T244	L239-H241 PolarHBondContact O-N 2.81Å; H241-L243 PolarHBondContact O-N 3.49Å; H241-T244 PolarHBondContact O-N 3.34Å; H241-T244 PolarHBondContact O-OG1 3.43Å
242	S	70.4	Confident	80.8	Confident	62 Å²	62	69.1 Å²	69.1	43%	0.434	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-18.1	-176.8	58.6	0	0	0	0	115.8
243	L	64.1	Low	80.8	Confident	145 Å²	145	71 Å²	71	76%	0.759	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	11.9	-178.7	-58.7	177.3	0	0	0	113.7	H241 D245	H241-L243 PolarHBondContact O-N 3.49Å; L243-D245 PolarHBondContact O-N 3.49Å
244	T	67.8	Low	80.9	Confident	35 Å²	35	66.4 Å²	66.4	22%	0.215	32%	0.322	C	S	.	.			trans	-63.6	122.6	178.4	-58.1	0	0	0	0	110.1	L214 H241 L246 F249	L214-T244 HydrophobicContact CD1-CG2 4.06Å; L214-T244 HydrophobicContact CD2-CG2 4.03Å; H241-T244 PolarHBondContact O-N 3.34Å; H241-T244 PolarHBondContact O-OG1 3.43Å; T244-L246 PolarHBondContact O-N 3.33Å; T244-F249 HydrophobicContact CG2-CD2 3.98Å
245	D	70.8	Confident	80.7	Confident	75 Å²	75	66.1 Å²	66.1	40%	0.401	32%	0.32	S	S	.	.			trans	-72	94.7	173.7	-177.8	-4.7	0	0	0	109.6	L243 T247 R248 F249	L243-D245 PolarHBondContact O-N 3.49Å; D245-T247 PolarHBondContact O-N 3.24Å; D245-T247 VanDerWaalsContact O-N 3.07Å; D245-T247 WeakPolarHBondContact OD1-CB 3.38Å; D245-T247 PolarHBondContact OD1-N 3.19Å; D245-T247 PolarHBondContact OD1-OG1 3.46Å; D245-R248 HydrophobicContact CB-CB 4.42Å; D245-R248 CarbonylContact O-C 3.51Å; D245-R248 PolarHBondContact O-N 2.63Å; D245-R248 VanDerWaalsContact OD2-CD 3.29Å; D245-R248 WeakPolarHBondContact OD2-CD 3.36Å; D245-R248 WeakPolarHBondContact OD2-CG 3.49Å; D245-R248 IonicContact OD2-NE 2.94Å; D245-F249 PolarHBondContact O-N 3.12Å
246	L	70.5	Confident	80.5	Confident	50 Å²	50	66.5 Å²	66.5	26%	0.262	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-24.7	179.9	-61.8	172.8	0	0	0	113.1	T207 N211 F213 L214 T244 R248	T207-L246 HydrophobicContact CG2-CD1 4.11Å; T207-L246 HydrophobicContact CG2-CG 4.47Å; N211-L246 VanDerWaalsContact ND2-CD1 3.28Å; N211-L246 WeakPolarHBondContact ND2-CD1 3.47Å; F213-L246 HydrophobicContact CD1-CD2 4.25Å; L214-L246 HydrophobicContact CD1-CD2 3.65Å; L214-L246 HydrophobicContact CD2-CD2 3.86Å; L214-L246 HydrophobicContact CG-CD2 3.62Å; T244-L246 PolarHBondContact O-N 3.33Å; L246-R248 VanDerWaalsContact C-N 3.3Å
247	T	68.3	Low	79.9	Confident	126 Å²	126	70.6 Å²	70.6	77%	0.773	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-17.3	179.7	71.8	0	0	0	0	113.1	D245	D245-T247 PolarHBondContact O-N 3.24Å; D245-T247 VanDerWaalsContact O-N 3.07Å; D245-T247 WeakPolarHBondContact OD1-CB 3.38Å; D245-T247 PolarHBondContact OD1-N 3.19Å; D245-T247 PolarHBondContact OD1-OG1 3.46Å
248	R	69.6	Low	79.6	Confident	197 Å²	197	70.3 Å²	70.3	74%	0.743	35%	0.349	S	S	*	.	S	Bend	trans	-120.7	8.3	-179.1	-64.7	-175.1	176.9	172.5	-0.6	112.9	D245 L246 R250	D245-R248 HydrophobicContact CB-CB 4.42Å; D245-R248 CarbonylContact O-C 3.51Å; D245-R248 PolarHBondContact O-N 2.63Å; D245-R248 VanDerWaalsContact OD2-CD 3.29Å; D245-R248 WeakPolarHBondContact OD2-CD 3.36Å; D245-R248 WeakPolarHBondContact OD2-CG 3.49Å; D245-R248 IonicContact OD2-NE 2.94Å; L246-R248 VanDerWaalsContact C-N 3.3Å; R248-R250 PolarHBondContact O-N 2.71Å
249	F	80.6	Confident	79.6	Confident	44 Å²	44	70.2 Å²	70.2	19%	0.193	35%	0.349	C	S	.	.			trans	-53.4	129.2	-179.7	177.6	-92.9	0	0	0	110.7	V140 F213 L214 L235 T244 D245 L251	V140-F249 HydrophobicContact CG1-CE1 3.97Å; V140-F249 HydrophobicContact CG2-CD1 4.36Å; V140-F249 HydrophobicContact CG2-CE1 3.83Å; F213-F249 HydrophobicContact CE1-CB 4.39Å; F213-F249 AromaticContact CE1-CD1 3.81Å; F213-F249 HydrophobicContact CE1-CD1 3.81Å; F213-F249 HydrophobicContact CE1-CE1 4.29Å; F213-F249 AromaticContact CE1-CG 3.98Å; F213-F249 HydrophobicContact CE1-CG 3.98Å; F213-F249 AromaticContact CZ-CD1 3.62Å; F213-F249 HydrophobicContact CZ-CD1 3.62Å; F213-F249 AromaticContact CZ-CE1 3.89Å; F213-F249 HydrophobicContact CZ-CE1 3.89Å; F213-F249 HydrophobicContact CZ-CG 4.28Å; L214-F249 HydrophobicContact CD2-CD2 3.63Å; L214-F249 HydrophobicContact CD2-CE2 3.78Å; L214-F249 HydrophobicContact CD2-CG 4.3Å; L235-F249 HydrophobicContact CB-CZ 4.36Å; L235-F249 HydrophobicContact CD1-CE2 4.05Å; L235-F249 HydrophobicContact CD1-CZ 3.91Å; L235-F249 HydrophobicContact CD2-CZ 4.06Å; L235-F249 HydrophobicContact CG-CZ 4.33Å; T244-F249 HydrophobicContact CG2-CD2 3.98Å; D245-F249 PolarHBondContact O-N 3.12Å; F249-L251 HydrophobicContact CZ-CD2 4.46Å
250	R	79.2	Confident	79.6	Confident	217 Å²	217	72.1 Å²	72.1	82%	0.819	36%	0.357	S	S	*	.			trans	-145.3	146.2	173.9	-68	-175.7	178.5	-173.9	-2.5	107.7	R248 S252	R248-R250 PolarHBondContact O-N 2.71Å; R250-S252 PolarHBondContact O-N 3.48Å
251	L	87.6	Confident	79.2	Confident	21 Å²	21	74.7 Å²	74.7	11%	0.11	38%	0.38	C	S	.	.			trans	-57.2	139.2	168	-70.4	177.1	0	0	0	110	V140 W141 V144 L235 F249 D255 I256	V140-L251 HydrophobicContact CG1-CD1 3.7Å; V140-L251 HydrophobicContact CG1-CD2 3.44Å; V140-L251 VanDerWaalsContact CG1-CD2 3.44Å; V140-L251 HydrophobicContact CG1-CG 3.45Å; V140-L251 VanDerWaalsContact CG1-CG 3.45Å; V140-L251 WeakPolarHBondContact O-CD1 3.47Å; W141-L251 HydrophobicContact CE3-CD1 3.79Å; W141-L251 HydrophobicContact CE3-CD2 4.47Å; W141-L251 HydrophobicContact CH2-CD2 3.88Å; W141-L251 HydrophobicContact CZ2-CD2 4.29Å; W141-L251 HydrophobicContact CZ3-CD1 3.8Å; W141-L251 HydrophobicContact CZ3-CD2 3.98Å; V144-L251 HydrophobicContact CG1-CD1 4.26Å; V144-L251 HydrophobicContact CG2-CD1 3.58Å; L235-L251 HydrophobicContact CB-CD2 4.02Å; L235-L251 HydrophobicContact CD2-CD2 3.57Å; L235-L251 HydrophobicContact CG-CD2 4.47Å; F249-L251 HydrophobicContact CZ-CD2 4.46Å; L251-D255 HydrophobicContact CB-CB 4.15Å; L251-D255 HydrophobicContact CD2-CB 3.92Å; L251-D255 HydrophobicContact CG-CB 4.47Å; L251-I256 HydrophobicContact CB-CD1 4.26Å; L251-I256 HydrophobicContact CB-CG1 3.84Å; L251-I256 HydrophobicContact CD1-CG1 4.38Å
252	S	86.8	Confident	79.4	Confident	19 Å²	19	70.2 Å²	70.2	13%	0.133	36%	0.36	C	S	.	.			trans	-68.1	161.4	170	77.6	0	0	0	0	109.6	A234 R250 D254 D255 I256	A234-S252 WeakPolarHBondContact CA-OG 3.11Å; R250-S252 PolarHBondContact O-N 3.48Å; S252-D254 PolarHBondContact O-N 3.26Å; S252-D254 WeakPolarHBondContact OG-CB 3.24Å; S252-D254 PolarHBondContact OG-N 2.7Å; S252-D255 VanDerWaalsContact CB-OD2 3.3Å; S252-D255 WeakPolarHBondContact CB-OD2 3.31Å; S252-D255 PolarHBondContact N-OD2 2.81Å; S252-D255 PolarHBondContact O-N 3.11Å; S252-D255 VanDerWaalsContact OG-CG 3.29Å; S252-D255 PolarHBondContact OG-N 2.69Å; S252-D255 PolarHBondContact OG-OD2 3.5Å; S252-I256 WeakPolarHBondContact O-CG1 3.2Å; S252-I256 PolarHBondContact O-N 2.92Å; S252-I256 VanDerWaalsContact O-N 3.08Å
253	Q	83.3	Confident	80.3	Confident	117 Å²	117	68 Å²	68	55%	0.547	34%	0.342	S	S	.	.	H	α-helix	trans	-62.5	-26	174	-168.5	59.6	57.2	0	0	111.8	N257	Q253-N257 PolarHBondContact NE2-OD1 2.96Å; Q253-N257 VanDerWaalsContact O-CB 3.29Å; Q253-N257 WeakPolarHBondContact O-CB 3.46Å; Q253-N257 PolarHBondContact O-N 3.44Å; Q253-N257 PolarHBondContact O-ND2 3.16Å; Q253-N257 PolarHBondContact O-OD1 3.37Å
254	D	81.9	Confident	81.4	Confident	64 Å²	64	62.1 Å²	62.1	34%	0.342	32%	0.317	S	S	.	.	H	α-helix	trans	-66.3	-46.9	176.1	-171.3	73.2	0	0	0	111.3	S229 N231 A234 S252 I256 N257 G258	S229-D254 VanDerWaalsContact CB-OD2 3.22Å; S229-D254 WeakPolarHBondContact CB-OD2 3.19Å; S229-D254 PolarHBondContact OG-OD2 2.85Å; N231-D254 HydrophobicContact CB-CB 4.32Å; A234-D254 HydrophobicContact CB-CB 4.38Å; S252-D254 PolarHBondContact O-N 3.26Å; S252-D254 WeakPolarHBondContact OG-CB 3.24Å; S252-D254 PolarHBondContact OG-N 2.7Å; D254-I256 PolarHBondContact O-N 2.96Å; D254-N257 PolarHBondContact O-N 3.04Å; D254-G258 PolarHBondContact O-N 3.08Å
255	D	84.9	Confident	82.5	Confident	3 Å²	3	63.5 Å²	63.5	2%	0.016	33%	0.327	C	S	.	.	H	α-helix	trans	-61.4	-44.5	175.2	-55	-64.1	0	0	0	111.3	W141 A234 L235 M236 L251 S252 G258 I259	W141-D255 HydrophobicContact CH2-CB 4.13Å; W141-D255 HydrophobicContact CZ3-CB 4.19Å; A234-D255 WeakPolarHBondContact CA-OD2 3.38Å; L235-D255 PolarHBondContact N-OD1 2.91Å; L235-D255 PolarHBondContact N-OD2 2.63Å; M236-D255 WeakPolarHBondContact CG-OD1 3.48Å; M236-D255 PolarHBondContact N-OD1 2.9Å; L251-D255 HydrophobicContact CB-CB 4.15Å; L251-D255 HydrophobicContact CD2-CB 3.92Å; L251-D255 HydrophobicContact CG-CB 4.47Å; S252-D255 VanDerWaalsContact CB-OD2 3.3Å; S252-D255 WeakPolarHBondContact CB-OD2 3.31Å; S252-D255 PolarHBondContact N-OD2 2.81Å; S252-D255 PolarHBondContact O-N 3.11Å; S252-D255 VanDerWaalsContact OG-CG 3.29Å; S252-D255 PolarHBondContact OG-N 2.69Å; S252-D255 PolarHBondContact OG-OD2 3.5Å; D255-G258 PolarHBondContact O-N 3.19Å; D255-I259 WeakPolarHBondContact O-CG2 3.28Å; D255-I259 PolarHBondContact O-N 3.41Å
256	I	88.8	Confident	83.4	Confident	31 Å²	31	61.8 Å²	61.8	16%	0.159	32%	0.32	C	S	.	.	H	α-helix	trans	-61.6	-47	178.6	-65.6	170.4	0	0	0	110.4	V144 L251 S252 D254 G258 I259 Q260	V144-I256 HydrophobicContact CG1-CD1 4.45Å; V144-I256 HydrophobicContact CG1-CG1 4.25Å; L251-I256 HydrophobicContact CB-CD1 4.26Å; L251-I256 HydrophobicContact CB-CG1 3.84Å; L251-I256 HydrophobicContact CD1-CG1 4.38Å; S252-I256 WeakPolarHBondContact O-CG1 3.2Å; S252-I256 PolarHBondContact O-N 2.92Å; S252-I256 VanDerWaalsContact O-N 3.08Å; D254-I256 PolarHBondContact O-N 2.96Å; I256-G258 VanDerWaalsContact C-N 3.33Å; I256-G258 PolarHBondContact O-N 3.17Å; I256-I259 WeakPolarHBondContact O-CG2 3.24Å; I256-I259 PolarHBondContact O-N 2.87Å; I256-Q260 HydrophobicContact CG2-CG 4.2Å; I256-Q260 WeakPolarHBondContact O-CB 3.49Å; I256-Q260 WeakPolarHBondContact O-CG 3.32Å; I256-Q260 PolarHBondContact O-N 2.83Å
257	N	79.6	Confident	83.5	Confident	89 Å²	89	65.1 Å²	65.1	48%	0.476	34%	0.344	S	S	.	.	H	α-helix	trans	-62.4	-43.1	177.8	-69.8	-15.3	0	0	0	111.1	Q253 D254 S261	Q253-N257 PolarHBondContact NE2-OD1 2.96Å; Q253-N257 VanDerWaalsContact O-CB 3.29Å; Q253-N257 WeakPolarHBondContact O-CB 3.46Å; Q253-N257 PolarHBondContact O-N 3.44Å; Q253-N257 PolarHBondContact O-ND2 3.16Å; Q253-N257 PolarHBondContact O-OD1 3.37Å; D254-N257 PolarHBondContact O-N 3.04Å; N257-S261 WeakPolarHBondContact O-CB 3.39Å; N257-S261 PolarHBondContact O-N 2.84Å
258	G	83.9	Confident	83.2	Confident	23 Å²	23	63.1 Å²	63.1	24%	0.237	35%	0.349	C	S	.	.	H	α-helix	trans	-56.7	-56.7	176.5	0	0	0	0	0	111.3	L226 D254 D255 I256 Q260 S261	L226-G258 VanDerWaalsContact CD2-C 3.45Å; D254-G258 PolarHBondContact O-N 3.08Å; D255-G258 PolarHBondContact O-N 3.19Å; I256-G258 VanDerWaalsContact C-N 3.33Å; I256-G258 PolarHBondContact O-N 3.17Å; G258-Q260 PolarHBondContact O-N 3.36Å; G258-S261 WeakPolarHBondContact O-CB 3.19Å; G258-S261 PolarHBondContact O-N 3.12Å; G258-S261 PolarHBondContact O-OG 3.2Å
259	I	91.3	Very high	82.4	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-69.9	-35.6	-174.6	-160.8	70.3	0	0	0	112.4	W141 V144 T145 L224 L226 D255 I256 S261 L262 Y263	W141-I259 HydrophobicContact CE3-CB 3.99Å; W141-I259 HydrophobicContact CE3-CD1 4.18Å; W141-I259 HydrophobicContact CE3-CG1 3.84Å; W141-I259 HydrophobicContact CE3-CG2 4.07Å; W141-I259 HydrophobicContact CZ3-CB 3.93Å; W141-I259 HydrophobicContact CZ3-CD1 4.5Å; W141-I259 HydrophobicContact CZ3-CG1 4.24Å; W141-I259 HydrophobicContact CZ3-CG2 4.1Å; V144-I259 HydrophobicContact CG2-CG2 3.81Å; T145-I259 HydrophobicContact CG2-CB 4.24Å; T145-I259 HydrophobicContact CG2-CG1 3.52Å; T145-I259 HydrophobicContact CG2-CG2 3.76Å; L224-I259 HydrophobicContact CB-CD1 3.78Å; L224-I259 HydrophobicContact CD1-CD1 4.06Å; L226-I259 HydrophobicContact CD1-CB 4.17Å; L226-I259 HydrophobicContact CD1-CD1 4Å; L226-I259 HydrophobicContact CD2-CB 4.34Å; L226-I259 HydrophobicContact CD2-CD1 4.21Å; L226-I259 HydrophobicContact CG-CD1 3.95Å; D255-I259 WeakPolarHBondContact O-CG2 3.28Å; D255-I259 PolarHBondContact O-N 3.41Å; I256-I259 WeakPolarHBondContact O-CG2 3.24Å; I256-I259 PolarHBondContact O-N 2.87Å; I259-S261 VanDerWaalsContact C-N 3.32Å; I259-S261 PolarHBondContact O-N 2.99Å; I259-L262 HydrophobicContact CD1-CD1 4.38Å; I259-L262 WeakPolarHBondContact O-CB 3.34Å; I259-L262 PolarHBondContact O-N 3.06Å; I259-L262 VanDerWaalsContact O-N 3.12Å; I259-Y263 HydrophobicContact CD1-CD2 3.74Å; I259-Y263 HydrophobicContact CD1-CE2 3.74Å; I259-Y263 HydrophobicContact CG1-CD2 3.97Å; I259-Y263 HydrophobicContact CG1-CE2 4.47Å; I259-Y263 PolarHBondContact O-N 3.31Å
260	Q	91	Very high	80.9	Confident	53 Å²	53	60.4 Å²	60.4	25%	0.248	36%	0.362	C	S	.	.	H	α-helix	trans	-73.5	-24.9	176.9	-67.7	-177.4	-7.6	0	0	112.3	V144 I256 G258 L262 G264	V144-Q260 WeakPolarHBondContact O-CG 3.46Å; V144-Q260 PolarHBondContact O-NE2 2.89Å; I256-Q260 HydrophobicContact CG2-CG 4.2Å; I256-Q260 WeakPolarHBondContact O-CB 3.49Å; I256-Q260 WeakPolarHBondContact O-CG 3.32Å; I256-Q260 PolarHBondContact O-N 2.83Å; G258-Q260 PolarHBondContact O-N 3.36Å; Q260-L262 PolarHBondContact O-N 2.95Å; Q260-G264 WeakPolarHBondContact O-CA 2.98Å; Q260-G264 PolarHBondContact O-N 2.95Å
261	S	83	Confident	79.1	Confident	89 Å²	89	58.3 Å²	58.3	62%	0.622	36%	0.362	S	S	*	.	H	α-helix	trans	-63.1	-28.1	169.3	81.6	0	0	0	0	112.1	N257 G258 I259	N257-S261 WeakPolarHBondContact O-CB 3.39Å; N257-S261 PolarHBondContact O-N 2.84Å; G258-S261 WeakPolarHBondContact O-CB 3.19Å; G258-S261 PolarHBondContact O-N 3.12Å; G258-S261 PolarHBondContact O-OG 3.2Å; I259-S261 VanDerWaalsContact C-N 3.32Å; I259-S261 PolarHBondContact O-N 2.99Å
262	L	83.3	Confident	76.5	Confident	15 Å²	15	63.6 Å²	63.6	8%	0.079	40%	0.395	C	S	.	.	H	α-helix	trans	-83.4	-55.1	175.7	-54.9	-175.8	0	0	0	111	I106 K108 L224 L226 I259 Q260	I106-L262 HydrophobicContact CB-CD2 4.48Å; I106-L262 HydrophobicContact CG2-CD2 2.97Å; I106-L262 HydrophobicContact CG2-CG 4.44Å; K108-L262 WeakPolarHBondContact CD-O 3.14Å; K108-L262 WeakPolarHBondContact CE-O 3.1Å; K108-L262 HydrophobicContact CG-CB 4.34Å; K108-L262 PolarHBondContact NZ-O 2.95Å; L224-L262 WeakPolarHBondContact O-CD1 3.34Å; L226-L262 HydrophobicContact CD2-CD1 3.86Å; L226-L262 HydrophobicContact CG-CD1 4.48Å; I259-L262 HydrophobicContact CD1-CD1 4.38Å; I259-L262 WeakPolarHBondContact O-CB 3.34Å; I259-L262 PolarHBondContact O-N 3.06Å; I259-L262 VanDerWaalsContact O-N 3.12Å; Q260-L262 PolarHBondContact O-N 2.95Å
263	Y	89.6	Confident	74.5	Confident	15 Å²	15	68.2 Å²	68.2	6%	0.059	43%	0.425	C	S	.	.	H	α-helix	trans	-110.2	-8.9	-164.8	-60.4	-76.4	0	0	0	114.9	K108 W109 P146 L147 L224 I259	K108-Y263 HydrophobicContact CD-CD1 4.33Å; K108-Y263 HydrophobicContact CD-CE1 4.15Å; K108-Y263 VanDerWaalsContact CE-CD1 3.46Å; K108-Y263 HydrophobicContact CG-CD1 3.97Å; K108-Y263 HydrophobicContact CG-CE1 3.34Å; K108-Y263 HydrophobicContact CG-CE2 4.42Å; W109-Y263 HydrophobicContact CB-CE1 4.17Å; W109-Y263 PolarHBondContact N-OH 3.19Å; P146-Y263 WeakPolarHBondContact CD-O 3.41Å; P146-Y263 WeakPolarHBondContact CG-O 3.38Å; L147-Y263 HydrophobicContact CD1-CD1 4.14Å; L147-Y263 HydrophobicContact CD1-CD2 3.82Å; L147-Y263 HydrophobicContact CD1-CE1 4.27Å; L147-Y263 HydrophobicContact CD1-CE2 3.98Å; L147-Y263 HydrophobicContact CD1-CG 3.92Å; L147-Y263 HydrophobicContact CD2-CD1 3.53Å; L147-Y263 HydrophobicContact CD2-CE1 3.81Å; L147-Y263 HydrophobicContact CD2-CG 4.02Å; L147-Y263 HydrophobicContact CG-CD1 4.02Å; L147-Y263 HydrophobicContact CG-CD2 4.38Å; L147-Y263 HydrophobicContact CG-CE1 4.48Å; L147-Y263 HydrophobicContact CG-CG 3.97Å; L224-Y263 HydrophobicContact CB-CE2 4.2Å; L224-Y263 VanDerWaalsContact O-CE2 3.24Å; L224-Y263 WeakPolarHBondContact O-CE2 3.42Å; L224-Y263 PolarHBondContact O-OH 3.49Å; I259-Y263 HydrophobicContact CD1-CD2 3.74Å; I259-Y263 HydrophobicContact CD1-CE2 3.74Å; I259-Y263 HydrophobicContact CG1-CD2 3.97Å; I259-Y263 HydrophobicContact CG1-CE2 4.47Å; I259-Y263 PolarHBondContact O-N 3.31Å
264	G	88.4	Confident	72.4	Confident	22 Å²	22	69.8 Å²	69.8	23%	0.227	44%	0.436	C	S	.	.			trans	78.6	173.4	-170	0	0	0	0	0	112.9	P146 Q260	P146-G264 WeakPolarHBondContact CD-O 3.46Å; Q260-G264 WeakPolarHBondContact O-CA 2.98Å; Q260-G264 PolarHBondContact O-N 2.95Å
265	P	90.1	Very high	70	Confident	64 Å²	64	72.7 Å²	72.7	42%	0.416	46%	0.456	S	S	.	.			trans	-81.7	166.8	176.8	36.3	-37.5	0	0	0	112.2	P146 S269	P146-P265 WeakPolarHBondContact CD-O 3.39Å; P146-P265 VanDerWaalsContact CG-O 3.3Å; P146-P265 WeakPolarHBondContact CG-O 3.39Å; P265-S269 WeakPolarHBondContact CB-OG 3.44Å
266	P	89.6	Confident	67.9	Low	39 Å²	39	77.9 Å²	77.9	25%	0.253	49%	0.489	S	S	.	.			trans	-61.5	148.6	-179.9	-19.5	31	0	0	0	112.8	E143 V144 G268 S269	E143-P266 WeakPolarHBondContact O-CG 3.34Å; V144-P266 VanDerWaalsContact C-CG 3.49Å; V144-P266 WeakPolarHBondContact O-CD 3.32Å; P266-G268 PolarHBondContact O-N 3.36Å; P266-G268 VanDerWaalsContact O-N 3.1Å; P266-S269 PolarHBondContact O-N 3.33Å; P266-S269 PolarHBondContact O-OG 2.9Å
267	P	73	Confident	65.3	Low	119 Å²	119	82.4 Å²	82.4	77%	0.773	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	114	176.3	-16.5	28.1	0	0	0	111
268	G	62.7	Low	62.9	Low	85 Å²	85	84.6 Å²	84.6	88%	0.876	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	121.3	1.4	179.6	0	0	0	0	0	116	P266	P266-G268 PolarHBondContact O-N 3.36Å; P266-G268 VanDerWaalsContact O-N 3.1Å
269	S	52.8	Low	60.6	Low	50 Å²	50	89.3 Å²	89.3	35%	0.35	56%	0.557	S	S	.	*	S	Bend	trans	-82.3	143.7	170.5	38.7	0	0	0	0	111.1	P265 P266 E271	P265-S269 WeakPolarHBondContact CB-OG 3.44Å; P266-S269 PolarHBondContact O-N 3.33Å; P266-S269 PolarHBondContact O-OG 2.9Å; S269-E271 PolarHBondContact O-N 3.45Å
270	P	47.7	Very low	57.8	Low	133 Å²	133	95 Å²	95	86%	0.864	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-60.8	124.6	-178.3	-2.5	7.9	0	0	0	111
271	E	42.1	Very low	55.1	Low	173 Å²	173	97.2 Å²	97.2	81%	0.808	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-57.6	136.5	-166.1	-64.2	173.4	154.2	0	0	115.3	S269	S269-E271 PolarHBondContact O-N 3.45Å
272	T	33.3	Very low	52.8	Low	132 Å²	132	99 Å²	99	81%	0.81	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-100.2	137.9	142.5	-31	0	0	0	0	106.6	L274	T272-L274 PolarHBondContact O-N 2.94Å
273	P	43.3	Very low	50.6	Low	117 Å²	117	101 Å²	101	76%	0.76	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-61.2	126.6	-161.3	-22.1	32.1	0	0	0	113.7	V275	P273-V275 PolarHBondContact O-N 3.49Å
274	L	40.6	Very low	48.2	Very low	150 Å²	150	106.8 Å²	106.8	79%	0.785	68%	0.678	S	S	*	*			trans	-56.3	114.6	164.7	-67.7	161.7	0	0	0	109.1	T272 P276	T272-L274 PolarHBondContact O-N 2.94Å; L274-P276 WeakPolarHBondContact O-CD 3.38Å
275	V	32.1	Very low	46.2	Very low	124 Å²	124	108.4 Å²	108.4	75%	0.752	70%	0.695	S	S	*	*			trans	-72.7	120.2	156	179.1	0	0	0	0	105.8	P273 T277	P273-V275 PolarHBondContact O-N 3.49Å; V275-T277 PolarHBondContact O-N 2.87Å
276	P	38.8	Very low	44	Very low	112 Å²	112	111 Å²	111	73%	0.727	70%	0.703	S	S	*	*			trans	-65.9	108.3	174.4	-12.2	26.8	0	0	0	108.1	L274 D278	L274-P276 WeakPolarHBondContact O-CD 3.38Å; P276-D278 PolarHBondContact O-N 3.1Å
277	T	35.8	Very low	42.6	Very low	126 Å²	126	110.1 Å²	110.1	77%	0.773	70%	0.697	S	S	*	*			trans	-75.2	106.2	163.5	18.1	0	0	0	0	107.4	V275	V275-T277 PolarHBondContact O-N 2.87Å
278	D	29.5	Very low	42.7	Very low	135 Å²	135	107.3 Å²	107.3	72%	0.722	68%	0.683	S	S	*	*			trans	-45.3	152.8	159.6	-74.9	-44.7	0	0	0	110.5	P276 V280	P276-D278 PolarHBondContact O-N 3.1Å; D278-V280 PolarHBondContact O-N 2.91Å
279	P	35.7	Very low	43.6	Very low	123 Å²	123	105.3 Å²	105.3	80%	0.799	65%	0.654	S	S	*	*			trans	-58.5	103.9	172.5	24.9	-32.1	0	0	0	108.7
280	V	32.3	Very low	45.2	Very low	119 Å²	119	106.7 Å²	106.7	72%	0.721	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-57.5	125.7	174.4	-178.9	0	0	0	0	106.8	D278	D278-V280 PolarHBondContact O-N 2.91Å
281	P	33.5	Very low	47	Very low	99 Å²	99	103.7 Å²	103.7	64%	0.643	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-53.2	154	173.7	-21.4	30.7	0	0	0	110.5	A283	P281-A283 PolarHBondContact O-N 3.29Å; P281-A283 VanDerWaalsContact O-N 3.12Å
282	P	35.4	Very low	49.2	Very low	127 Å²	127	99.3 Å²	99.3	83%	0.825	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-51.2	126.4	178.8	20.4	-30.6	0	0	0	109.9	P284	P282-P284 WeakPolarHBondContact O-CD 3.26Å; P282-P284 VanDerWaalsContact O-N 3.16Å
283	A	37.2	Very low	51.9	Low	58 Å²	58	96.1 Å²	96.1	48%	0.479	61%	0.613	S	S	.	*	P	Polyproline II helix	trans	-51	120.3	-173.5	0	0	0	0	0	110.4	P281 G285	P281-A283 PolarHBondContact O-N 3.29Å; P281-A283 VanDerWaalsContact O-N 3.12Å; A283-G285 PolarHBondContact O-N 3.41Å
284	P	38.3	Very low	54.2	Low	136 Å²	136	91 Å²	91	88%	0.883	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	118.1	176	26.1	-30.3	0	0	0	108.5	P282	P282-P284 WeakPolarHBondContact O-CD 3.26Å; P282-P284 VanDerWaalsContact O-N 3.16Å
285	G	47.6	Very low	56.8	Low	55 Å²	55	85.3 Å²	85.3	57%	0.567	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	124.4	9	166.8	0	0	0	0	0	118	A283 H313	A283-G285 PolarHBondContact O-N 3.41Å; G285-H313 PolarHBondContact O-CE1 3.06Å; G285-H313 VanDerWaalsContact O-CE1 3.31Å
286	M	43.4	Very low	59.9	Low	120 Å²	120	79.5 Å²	79.5	59%	0.591	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-86.9	117.4	161.1	-172.3	174.5	-115.9	0	0	107.9	A288 L326	M286-A288 PolarHBondContact O-N 3.34Å; M286-L326 HydrophobicContact CE-CD2 4.01Å; M286-L326 HydrophobicContact CG-CD2 4.2Å
287	P	59.2	Low	62.6	Low	20 Å²	20	75.8 Å²	75.8	13%	0.13	49%	0.491	C	S	.	.	P	Polyproline II helix	trans	-67.2	126.6	176.5	11.7	-7.1	0	0	0	109.1	T289 L294 K310 W315	P287-T289 PolarHBondContact O-N 3.25Å; P287-L294 HydrophobicContact CB-CD1 3.95Å; P287-K310 HydrophobicContact CB-CG 4.4Å; P287-K310 HydrophobicContact CG-CG 4.18Å; P287-W315 HydrophobicContact CB-CH2 3.55Å; P287-W315 HydrophobicContact CB-CZ2 3.86Å; P287-W315 HydrophobicContact CG-CH2 3.44Å; P287-W315 VanDerWaalsContact CG-CH2 3.44Å; P287-W315 HydrophobicContact CG-CZ2 3.84Å; P287-W315 HydrophobicContact CG-CZ3 4.44Å
288	A	75.3	Confident	65.5	Low	59 Å²	59	69.8 Å²	69.8	49%	0.488	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-71	116.9	175.1	0	0	0	0	0	109.2	M286 C290 D291	M286-A288 PolarHBondContact O-N 3.34Å; A288-C290 VanDerWaalsContact C-N 3.26Å; A288-C290 PolarHBondContact O-N 3.26Å; A288-D291 HydrophobicContact CB-CB 4Å; A288-D291 VanDerWaalsContact O-CB 3.25Å; A288-D291 WeakPolarHBondContact O-CB 3.47Å; A288-D291 PolarHBondContact O-N 3.07Å
289	T	82.3	Confident	68.8	Low	43 Å²	43	63.5 Å²	63.5	26%	0.264	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-43.5	-176.4	-56.1	0	0	0	0	113.1	P287 W315 P324 L475	P287-T289 PolarHBondContact O-N 3.25Å; T289-W315 PolarHBondContact OG1-NE1 3.48Å; T289-P324 HydrophobicContact CG2-CG 4.25Å; T289-L475 HydrophobicContact CG2-CB 3.87Å; T289-L475 HydrophobicContact CG2-CD1 3.89Å; T289-L475 HydrophobicContact CG2-CG 4.49Å
290	C	85.3	Confident	71.7	Confident	80 Å²	80	57.7 Å²	57.7	54%	0.541	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	19.5	179.4	-64.4	0	0	0	0	114.6	A288 P292 C477	A288-C290 VanDerWaalsContact C-N 3.26Å; A288-C290 PolarHBondContact O-N 3.26Å; C290-P292 WeakPolarHBondContact O-CD 3.3Å; C290-C477 WeakPolarHBondContact CA-SG 3.41Å; C290-C477 HydrophobicContact CB-CB 3.73Å; C290-C477 WeakPolarHBondContact CB-SG 3.23Å; C290-C477 WeakPolarHBondContact SG-CB 3.44Å; C290-C477 CovalentContact SG-SG 2.05Å; C290-C477 PolarHBondContact SG-SG 3.45Å
291	D	86.9	Confident	74.5	Confident	69 Å²	69	52.5 Å²	52.5	37%	0.369	35%	0.352	S	S	.	.			trans	-66.7	120.3	170.5	-172.5	-18.5	0	0	0	109.8	A288 A293 L294 N472	A288-D291 HydrophobicContact CB-CB 4Å; A288-D291 VanDerWaalsContact O-CB 3.25Å; A288-D291 WeakPolarHBondContact O-CB 3.47Å; A288-D291 PolarHBondContact O-N 3.07Å; D291-A293 PolarHBondContact O-N 3.22Å; D291-A293 VanDerWaalsContact O-N 3.08Å; D291-A293 WeakPolarHBondContact OD1-CB 3.39Å; D291-A293 PolarHBondContact OD1-N 3.19Å; D291-L294 HydrophobicContact CB-CB 4.45Å; D291-L294 WeakPolarHBondContact O-CB 3.21Å; D291-L294 PolarHBondContact O-N 3.26Å; D291-N472 PolarHBondContact O-ND2 3.03Å
292	P	87.4	Confident	77.1	Confident	81 Å²	81	48.2 Å²	48.2	53%	0.526	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-9.1	178	29.1	-37.7	0	0	0	114	C290 S453	C290-P292 WeakPolarHBondContact O-CD 3.3Å; P292-S453 WeakPolarHBondContact O-CB 3.3Å
293	A	90.9	Very high	79.5	Confident	65 Å²	65	48.5 Å²	48.5	54%	0.537	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-0.8	172.9	0	0	0	0	0	113.5	D291 S295	D291-A293 PolarHBondContact O-N 3.22Å; D291-A293 VanDerWaalsContact O-N 3.08Å; D291-A293 WeakPolarHBondContact OD1-CB 3.39Å; D291-A293 PolarHBondContact OD1-N 3.19Å; A293-S295 PolarHBondContact O-N 3.48Å
294	L	91.8	Very high	81.5	Confident	10 Å²	10	47.8 Å²	47.8	5%	0.052	31%	0.306	C	S	.	.			trans	-54.7	137.7	179.6	-179.2	60	0	0	0	110.8	P287 D291 F296 K310 W315 S453 S471 N472 L475	P287-L294 HydrophobicContact CB-CD1 3.95Å; D291-L294 HydrophobicContact CB-CB 4.45Å; D291-L294 WeakPolarHBondContact O-CB 3.21Å; D291-L294 PolarHBondContact O-N 3.26Å; L294-F296 HydrophobicContact CD1-CE1 4.45Å; L294-F296 HydrophobicContact CD2-CE1 3.78Å; L294-F296 HydrophobicContact CD2-CZ 3.87Å; L294-F296 HydrophobicContact CG-CE1 4.01Å; L294-F296 HydrophobicContact CG-CZ 4.23Å; L294-K310 HydrophobicContact CD1-CG 4.47Å; L294-W315 HydrophobicContact CD1-CH2 3.7Å; L294-W315 HydrophobicContact CD1-CZ2 4.4Å; L294-W315 HydrophobicContact CD1-CZ3 4.36Å; L294-W315 HydrophobicContact CD2-CH2 4Å; L294-W315 HydrophobicContact CD2-CZ2 4.15Å; L294-W315 HydrophobicContact CD2-CZ3 4.5Å; L294-W315 HydrophobicContact CG-CH2 4.47Å; L294-S453 WeakPolarHBondContact O-CA 3.36Å; L294-S471 WeakPolarHBondContact O-CB 3.48Å; L294-S471 PolarHBondContact O-OG 3.29Å; L294-N472 HydrophobicContact CD2-CB 4.07Å; L294-L475 HydrophobicContact CD2-CD1 3.81Å
295	S	94.8	Very high	83.9	Confident	31 Å²	31	43 Å²	43	22%	0.217	27%	0.272	C	S	.	.			trans	-132.6	162.9	170.2	71.6	0	0	0	0	108.9	A293 K310 G452	A293-S295 PolarHBondContact O-N 3.48Å; S295-K310 VanDerWaalsContact O-CD 3.26Å; S295-K310 WeakPolarHBondContact O-CD 3.18Å; S295-G452 WeakPolarHBondContact CA-O 3.36Å; S295-G452 WeakPolarHBondContact CB-O 3.42Å
296	F	96.1	Very high	86	Confident	2 Å²	2	40.4 Å²	40.4	1%	0.009	25%	0.245	C	C	.	.			trans	-115.9	144.5	177.2	-54.8	-61.3	0	0	0	110	L294 V299 F308 F309 W315 F450 S471 L475	L294-F296 HydrophobicContact CD1-CE1 4.45Å; L294-F296 HydrophobicContact CD2-CE1 3.78Å; L294-F296 HydrophobicContact CD2-CZ 3.87Å; L294-F296 HydrophobicContact CG-CE1 4.01Å; L294-F296 HydrophobicContact CG-CZ 4.23Å; F296-V299 HydrophobicContact CB-CG2 3.97Å; F296-V299 HydrophobicContact CD2-CG2 4.16Å; F296-V299 HydrophobicContact CG-CG2 4.24Å; F296-F308 HydrophobicContact CD1-CB 3.76Å; F296-F308 HydrophobicContact CD1-CD1 4.38Å; F296-F308 AromaticContact CD2-CD1 3.7Å; F296-F308 HydrophobicContact CD2-CD1 3.7Å; F296-F308 HydrophobicContact CD2-CE1 4.45Å; F296-F308 HydrophobicContact CE1-CB 3.67Å; F296-F308 HydrophobicContact CE1-CD1 4.2Å; F296-F308 HydrophobicContact CE1-CG 4.23Å; F296-F308 HydrophobicContact CE2-CB 4.47Å; F296-F308 AromaticContact CE2-CD1 3.47Å; F296-F308 HydrophobicContact CE2-CD1 3.47Å; F296-F308 VanDerWaalsContact CE2-CD1 3.47Å; F296-F308 HydrophobicContact CE2-CE1 4.06Å; F296-F308 HydrophobicContact CE2-CG 4.27Å; F296-F308 HydrophobicContact CG-CB 4.22Å; F296-F308 HydrophobicContact CG-CD1 4.15Å; F296-F308 HydrophobicContact CZ-CB 4.05Å; F296-F308 AromaticContact CZ-CD1 3.75Å; F296-F308 HydrophobicContact CZ-CD1 3.75Å; F296-F308 HydrophobicContact CZ-CG 4.1Å; F296-F309 WeakPolarHBondContact CA-O 3.45Å; F296-W315 HydrophobicContact CD1-CE3 4.23Å; F296-W315 AromaticContact CD1-CZ3 3.89Å; F296-W315 HydrophobicContact CD1-CZ3 3.89Å; F296-W315 AromaticContact CE1-CE3 3.7Å; F296-W315 HydrophobicContact CE1-CE3 3.7Å; F296-W315 HydrophobicContact CE1-CH2 4.32Å; F296-W315 AromaticContact CE1-CZ3 3.54Å; F296-W315 HydrophobicContact CE1-CZ3 3.54Å; F296-F450 AromaticContact CD2-CD1 3.77Å; F296-F450 HydrophobicContact CD2-CD1 3.77Å; F296-F450 AromaticContact CD2-CE1 3.92Å; F296-F450 HydrophobicContact CD2-CE1 3.92Å; F296-F450 HydrophobicContact CD2-CG 4.46Å; F296-F450 HydrophobicContact CE2-CD1 4.16Å; F296-F450 AromaticContact CE2-CE1 3.93Å; F296-F450 HydrophobicContact CE2-CE1 3.93Å; F296-S471 WeakPolarHBondContact CE2-O 3.39Å; F296-L475 HydrophobicContact CE1-CD1 4.27Å; F296-L475 HydrophobicContact CZ-CD1 3.9Å; F296-L475 HydrophobicContact CZ-CG 4.45Å
297	D	96.3	Very high	88.4	Confident	34 Å²	34	34.9 Å²	34.9	18%	0.182	22%	0.218	C	C	.	.	S	Bend	trans	-87.6	-25.6	176.7	-45.5	-34.4	0	0	0	111	F309 K310 D311 M340 D438	D297-F309 PolarHBondContact N-O 2.84Å; D297-K310 VanDerWaalsContact OD1-CD 3.32Å; D297-K310 WeakPolarHBondContact OD1-CD 3.16Å; D297-K310 IonicContact OD1-NZ 2.68Å; D297-K310 PolarHBondContact OD1-NZ 2.73Å; D297-K310 IonicContact OD2-NZ 3.97Å; D297-D311 WeakPolarHBondContact OD2-CA 3.42Å; D297-D311 PolarHBondContact OD2-N 3.17Å; D297-M340 CarbonylContact C-O 3.52Å; D297-M340 WeakPolarHBondContact CB-O 3.44Å; D297-D438 VanDerWaalsContact O-O 3.06Å
298	A	97.5	Very high	90.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	156.4	170.5	0	0	0	0	0	110.3	F309 M340 A343	A298-F309 HydrophobicContact CB-CB 4.25Å; A298-F309 HydrophobicContact CB-CD2 4.27Å; A298-F309 WeakPolarHBondContact O-CB 3.47Å; A298-F309 PolarHBondContact O-N 3.45Å; A298-M340 HydrophobicContact CB-CB 3.97Å; A298-A343 HydrophobicContact CB-CB 3.84Å
299	V	97.6	Very high	91.1	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	137.3	171.9	-177.4	0	0	0	0	108.1	F296 I306 L307 F308 A343 A439 F441 F450	F296-V299 HydrophobicContact CB-CG2 3.97Å; F296-V299 HydrophobicContact CD2-CG2 4.16Å; F296-V299 HydrophobicContact CG-CG2 4.24Å; V299-I306 HydrophobicContact CG1-CG2 3.87Å; V299-L307 VanDerWaalsContact CA-O 3.31Å; V299-L307 WeakPolarHBondContact CA-O 3.4Å; V299-F308 HydrophobicContact CB-CD1 4.46Å; V299-F308 HydrophobicContact CG1-CD1 3.9Å; V299-F308 HydrophobicContact CG1-CE1 3.92Å; V299-F308 HydrophobicContact CG2-CD1 3.63Å; V299-F308 HydrophobicContact CG2-CE1 4.16Å; V299-F308 HydrophobicContact CG2-CG 4.47Å; V299-A343 VanDerWaalsContact O-O 3.05Å; V299-A439 HydrophobicContact CB-CB 4.01Å; V299-A439 HydrophobicContact CG2-CB 3.62Å; V299-F441 HydrophobicContact CB-CD1 4.22Å; V299-F441 HydrophobicContact CG1-CB 4.07Å; V299-F441 HydrophobicContact CG1-CD1 3.43Å; V299-F441 VanDerWaalsContact CG1-CD1 3.43Å; V299-F441 HydrophobicContact CG1-CE1 4.03Å; V299-F441 HydrophobicContact CG1-CG 3.88Å; V299-F450 HydrophobicContact CG2-CD2 4.25Å; V299-F450 HydrophobicContact CG2-CE2 4.27Å
300	S	95.9	Very high	91.6	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.007	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	168.8	174.3	-174.6	0	0	0	0	110.1	L307 Y344 E345 V352	S300-L307 PolarHBondContact N-O 3.06Å; S300-L307 PolarHBondContact O-N 2.88Å; S300-Y344 VanDerWaalsContact OG-C 3.24Å; S300-Y344 WeakPolarHBondContact OG-CA 3.24Å; S300-E345 PolarHBondContact OG-N 3.44Å; S300-V352 WeakPolarHBondContact OG-CG1 3.36Å
301	T	91.8	Very high	91.6	Very high	11 Å²	11	30.3 Å²	30.3	7%	0.067	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	162.2	162.1	42.5	0	0	0	0	110.4	E305 I306 E345 V352 F441	T301-E305 CarbonylContact C-O 3.52Å; T301-E305 WeakPolarHBondContact CA-O 3.22Å; T301-I306 HydrophobicContact CG2-CG1 4.45Å; T301-E345 WeakPolarHBondContact O-CB 3.34Å; T301-E345 PolarHBondContact OG1-OE2 2.77Å; T301-V352 VanDerWaalsContact O-CG2 3.3Å; T301-V352 WeakPolarHBondContact O-CG2 3.23Å; T301-F441 HydrophobicContact CG2-CD2 4.33Å
302	L	88.3	Confident	91.2	Very high	8 Å²	8	32.9 Å²	32.9	4%	0.042	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	112.4	167.3	179.5	60	0	0	0	108.5	F171 G304 E305 L307 E345 V352	F171-L302 HydrophobicContact CZ-CD2 4.49Å; L302-G304 PolarHBondContact O-N 2.99Å; L302-E305 PolarHBondContact N-O 2.84Å; L302-E305 PolarHBondContact O-N 3.23Å; L302-L307 HydrophobicContact CB-CD1 3.83Å; L302-L307 HydrophobicContact CB-CG 4.25Å; L302-L307 HydrophobicContact CD2-CD1 4.09Å; L302-E345 WeakPolarHBondContact CA-OE1 3.43Å; L302-V352 HydrophobicContact CB-CG2 4.21Å; L302-V352 HydrophobicContact CD1-CG2 3.67Å; L302-V352 HydrophobicContact CG-CG2 4.45Å
303	R	84.9	Confident	91	Very high	134 Å²	134	30 Å²	30	51%	0.506	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	36	176.2	-63.6	174.6	178.1	-179.8	-0.5	114.2	E345 D350	R303-E345 PolarHBondContact N-OE1 2.95Å; R303-D350 IonicContact CZ-OD1 3.33Å; R303-D350 IonicContact CZ-OD2 3.24Å; R303-D350 IonicContact NE-OD1 3.72Å; R303-D350 PolarHBondContact NE-OD1 3.14Å; R303-D350 IonicContact NE-OD2 2.71Å; R303-D350 IonicContact NH2-OD1 3.36Å; R303-D350 PolarHBondContact NH2-OD1 3.28Å; R303-D350 IonicContact NH2-OD2 2.72Å; R303-D350 PolarHBondContact NH2-OD2 3.48Å
304	G	80.6	Confident	90.9	Very high	42 Å²	42	27.1 Å²	27.1	43%	0.433	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.1	5.6	177.8	0	0	0	0	0	115.4	L302	L302-G304 PolarHBondContact O-N 2.99Å
305	E	88	Confident	90.9	Very high	37 Å²	37	26.6 Å²	26.6	17%	0.173	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	159.5	168.4	-60.2	-177.7	119.8	0	0	110.7	T301 L302 R316 S318	T301-E305 CarbonylContact C-O 3.52Å; T301-E305 WeakPolarHBondContact CA-O 3.22Å; L302-E305 PolarHBondContact N-O 2.84Å; L302-E305 PolarHBondContact O-N 3.23Å; E305-R316 IonicContact OE1-CZ 3.44Å; E305-R316 IonicContact OE1-NE 3.36Å; E305-R316 PolarHBondContact OE1-NE 2.71Å; E305-R316 IonicContact OE1-NH2 3.28Å; E305-R316 IonicContact OE2-CZ 2.81Å; E305-R316 IonicContact OE2-NE 3.3Å; E305-R316 PolarHBondContact OE2-NE 2.84Å; E305-R316 IonicContact OE2-NH2 3.93Å; E305-R316 PolarHBondContact OE2-NH2 3.39Å; E305-S318 WeakPolarHBondContact OE1-CB 3.45Å
306	I	92	Very high	90.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	129.5	-178.3	-48.4	167.3	0	0	0	108.7	V299 T301 F308 K317 F441 W474	V299-I306 HydrophobicContact CG1-CG2 3.87Å; T301-I306 HydrophobicContact CG2-CG1 4.45Å; I306-F308 HydrophobicContact CB-CE2 3.84Å; I306-F308 HydrophobicContact CB-CZ 4.27Å; I306-F308 HydrophobicContact CG2-CD2 4.05Å; I306-F308 HydrophobicContact CG2-CE1 4.18Å; I306-F308 HydrophobicContact CG2-CE2 3.39Å; I306-F308 HydrophobicContact CG2-CZ 3.46Å; I306-F308 VanDerWaalsContact CG2-CZ 3.46Å; I306-K317 HydrophobicContact CB-CB 4.39Å; I306-K317 PolarHBondContact N-O 3.04Å; I306-K317 PolarHBondContact O-N 3.4Å; I306-F441 HydrophobicContact CD1-CE2 3.79Å; I306-F441 HydrophobicContact CD1-CZ 4.08Å; I306-F441 HydrophobicContact CG1-CE2 4.23Å; I306-F441 HydrophobicContact CG2-CD2 4.36Å; I306-F441 HydrophobicContact CG2-CE2 4.12Å; I306-F441 HydrophobicContact CG2-CZ 4.21Å; I306-W474 HydrophobicContact CD1-CD2 4.42Å; I306-W474 HydrophobicContact CD1-CE3 3.66Å; I306-W474 HydrophobicContact CD1-CH2 4.47Å; I306-W474 HydrophobicContact CD1-CZ3 3.69Å
307	L	94.3	Very high	90	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.016	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	116.1	179.5	-53.4	-176.6	0	0	0	109.2	V299 S300 L302 F309 F314 W315 R316 W333	V299-L307 VanDerWaalsContact CA-O 3.31Å; V299-L307 WeakPolarHBondContact CA-O 3.4Å; S300-L307 PolarHBondContact N-O 3.06Å; S300-L307 PolarHBondContact O-N 2.88Å; L302-L307 HydrophobicContact CB-CD1 3.83Å; L302-L307 HydrophobicContact CB-CG 4.25Å; L302-L307 HydrophobicContact CD2-CD1 4.09Å; L307-F309 HydrophobicContact CB-CD2 4.39Å; L307-F309 HydrophobicContact CB-CE2 3.59Å; L307-F309 HydrophobicContact CB-CZ 3.87Å; L307-F309 HydrophobicContact CD1-CE2 4.34Å; L307-F309 HydrophobicContact CD1-CZ 3.96Å; L307-F314 HydrophobicContact CB-CD2 4.47Å; L307-F314 HydrophobicContact CD2-CD2 4.05Å; L307-F314 HydrophobicContact CD2-CE2 3.94Å; L307-W315 CarbonylContact C-O 3.55Å; L307-W315 WeakPolarHBondContact CA-O 3.36Å; L307-R316 HydrophobicContact CD2-CB 4.17Å; L307-R316 HydrophobicContact CD2-CG 3.92Å; L307-W333 HydrophobicContact CD1-CH2 4.15Å
308	F	95.8	Very high	89.2	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	110.6	177.1	-62.6	-90.8	0	0	0	109.5	F296 V299 I306 F314 W315 K317 F441 F450 W474 L475	F296-F308 HydrophobicContact CD1-CB 3.76Å; F296-F308 HydrophobicContact CD1-CD1 4.38Å; F296-F308 AromaticContact CD2-CD1 3.7Å; F296-F308 HydrophobicContact CD2-CD1 3.7Å; F296-F308 HydrophobicContact CD2-CE1 4.45Å; F296-F308 HydrophobicContact CE1-CB 3.67Å; F296-F308 HydrophobicContact CE1-CD1 4.2Å; F296-F308 HydrophobicContact CE1-CG 4.23Å; F296-F308 HydrophobicContact CE2-CB 4.47Å; F296-F308 AromaticContact CE2-CD1 3.47Å; F296-F308 HydrophobicContact CE2-CD1 3.47Å; F296-F308 VanDerWaalsContact CE2-CD1 3.47Å; F296-F308 HydrophobicContact CE2-CE1 4.06Å; F296-F308 HydrophobicContact CE2-CG 4.27Å; F296-F308 HydrophobicContact CG-CB 4.22Å; F296-F308 HydrophobicContact CG-CD1 4.15Å; F296-F308 HydrophobicContact CZ-CB 4.05Å; F296-F308 AromaticContact CZ-CD1 3.75Å; F296-F308 HydrophobicContact CZ-CD1 3.75Å; F296-F308 HydrophobicContact CZ-CG 4.1Å; V299-F308 HydrophobicContact CB-CD1 4.46Å; V299-F308 HydrophobicContact CG1-CD1 3.9Å; V299-F308 HydrophobicContact CG1-CE1 3.92Å; V299-F308 HydrophobicContact CG2-CD1 3.63Å; V299-F308 HydrophobicContact CG2-CE1 4.16Å; V299-F308 HydrophobicContact CG2-CG 4.47Å; I306-F308 HydrophobicContact CB-CE2 3.84Å; I306-F308 HydrophobicContact CB-CZ 4.27Å; I306-F308 HydrophobicContact CG2-CD2 4.05Å; I306-F308 HydrophobicContact CG2-CE1 4.18Å; I306-F308 HydrophobicContact CG2-CE2 3.39Å; I306-F308 HydrophobicContact CG2-CZ 3.46Å; I306-F308 VanDerWaalsContact CG2-CZ 3.46Å; F308-F314 CarbonylContact O-C 3.57Å; F308-F314 WeakPolarHBondContact O-CA 3.06Å; F308-F314 VanDerWaalsContact O-CB 3.31Å; F308-F314 WeakPolarHBondContact O-CB 3.33Å; F308-W315 HydrophobicContact CB-CB 4.28Å; F308-W315 HydrophobicContact CB-CE3 4.06Å; F308-W315 HydrophobicContact CD2-CB 4.48Å; F308-W315 PolarHBondContact N-O 3.21Å; F308-W315 PolarHBondContact O-N 2.95Å; F308-K317 HydrophobicContact CD2-CB 4.46Å; F308-K317 HydrophobicContact CE2-CB 3.95Å; F308-F441 HydrophobicContact CE1-CE1 4.37Å; F308-F450 HydrophobicContact CE1-CE1 4.38Å; F308-F450 AromaticContact CE1-CZ 3.97Å; F308-F450 HydrophobicContact CE1-CZ 3.97Å; F308-W474 HydrophobicContact CE1-CB 4.15Å; F308-W474 HydrophobicContact CE1-CG 4.36Å; F308-W474 HydrophobicContact CE2-CB 4Å; F308-W474 HydrophobicContact CZ-CB 3.39Å; F308-W474 HydrophobicContact CZ-CD2 4.46Å; F308-W474 AromaticContact CZ-CG 3.74Å; F308-W474 HydrophobicContact CZ-CG 3.74Å; F308-L475 HydrophobicContact CD2-CD2 3.87Å; F308-L475 HydrophobicContact CE2-CD2 4.08Å; F308-L475 HydrophobicContact CG-CD2 4.4Å
309	F	94.2	Very high	87.9	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	133.4	-175.9	-63.2	-89.9	0	0	0	111.4	F296 D297 A298 L307 F314 I329 W333 A343 I354	F296-F309 WeakPolarHBondContact CA-O 3.45Å; D297-F309 PolarHBondContact N-O 2.84Å; A298-F309 HydrophobicContact CB-CB 4.25Å; A298-F309 HydrophobicContact CB-CD2 4.27Å; A298-F309 WeakPolarHBondContact O-CB 3.47Å; A298-F309 PolarHBondContact O-N 3.45Å; L307-F309 HydrophobicContact CB-CD2 4.39Å; L307-F309 HydrophobicContact CB-CE2 3.59Å; L307-F309 HydrophobicContact CB-CZ 3.87Å; L307-F309 HydrophobicContact CD1-CE2 4.34Å; L307-F309 HydrophobicContact CD1-CZ 3.96Å; F309-F314 HydrophobicContact CD1-CB 3.6Å; F309-F314 HydrophobicContact CD1-CG 4.28Å; F309-F314 HydrophobicContact CE1-CB 3.9Å; F309-F314 HydrophobicContact CE1-CD1 4.47Å; F309-F314 HydrophobicContact CE1-CG 4.1Å; F309-F314 HydrophobicContact CG-CB 4.12Å; F309-I329 HydrophobicContact CD1-CD1 3.82Å; F309-I329 HydrophobicContact CD1-CG1 3.96Å; F309-I329 HydrophobicContact CE1-CG1 4.36Å; F309-W333 AromaticContact CE1-CZ3 3.91Å; F309-W333 HydrophobicContact CE1-CZ3 3.91Å; F309-W333 HydrophobicContact CZ-CZ3 4.26Å; F309-A343 HydrophobicContact CD2-CB 4.38Å; F309-A343 HydrophobicContact CE2-CB 4.21Å; F309-I354 HydrophobicContact CE2-CD1 4.44Å; F309-I354 HydrophobicContact CZ-CD1 4.25Å
310	K	92.4	Very high	86.5	Confident	34 Å²	34	42.7 Å²	42.7	15%	0.148	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	118.1	172.7	-176.8	50.1	177.2	151.1	0	112.2	P287 L294 S295 D297 R312 H313 W315	P287-K310 HydrophobicContact CB-CG 4.4Å; P287-K310 HydrophobicContact CG-CG 4.18Å; L294-K310 HydrophobicContact CD1-CG 4.47Å; S295-K310 VanDerWaalsContact O-CD 3.26Å; S295-K310 WeakPolarHBondContact O-CD 3.18Å; D297-K310 VanDerWaalsContact OD1-CD 3.32Å; D297-K310 WeakPolarHBondContact OD1-CD 3.16Å; D297-K310 IonicContact OD1-NZ 2.68Å; D297-K310 PolarHBondContact OD1-NZ 2.73Å; D297-K310 IonicContact OD2-NZ 3.97Å; K310-R312 PolarHBondContact O-N 2.95Å; K310-H313 CarbonylContact C-O 3.57Å; K310-H313 PolarHBondContact N-O 3.01Å; K310-H313 PolarHBondContact O-N 3.34Å; K310-H313 VanDerWaalsContact O-O 3.1Å; K310-W315 HydrophobicContact CB-CH2 4.01Å; K310-W315 HydrophobicContact CB-CZ3 3.57Å; K310-W315 HydrophobicContact CG-CH2 4.47Å; K310-W315 HydrophobicContact CG-CZ3 4.46Å
311	D	85.6	Confident	85.2	Confident	72 Å²	72	46.3 Å²	46.3	39%	0.385	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	-99.5	-179.1	-51.8	-47.1	0	0	0	110.7	D297 S338 G339	D297-D311 WeakPolarHBondContact OD2-CA 3.42Å; D297-D311 PolarHBondContact OD2-N 3.17Å; D311-S338 WeakPolarHBondContact O-CB 3.33Å; D311-G339 PolarHBondContact O-N 3.01Å
312	R	78.6	Confident	83.7	Confident	123 Å²	123	51.9 Å²	51.9	46%	0.464	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-1.3	178.5	-58.3	-168.1	-59.8	-179.7	2.5	113.7	K310 L328 I329	K310-R312 PolarHBondContact O-N 2.95Å; R312-L328 HydrophobicContact CB-CD2 4.07Å; R312-L328 VanDerWaalsContact O-CD2 3.3Å; R312-L328 WeakPolarHBondContact O-CD2 3.42Å; R312-I329 WeakPolarHBondContact O-CG1 3.37Å; R312-I329 PolarHBondContact O-N 3.02Å
313	H	83.2	Confident	82.7	Confident	22 Å²	22	58.2 Å²	58.2	10%	0.102	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	163.1	-173.5	-54.4	88.6	0	0	0	110.6	G285 K310 L326 Y327 L328	G285-H313 PolarHBondContact O-CE1 3.06Å; G285-H313 VanDerWaalsContact O-CE1 3.31Å; K310-H313 CarbonylContact C-O 3.57Å; K310-H313 PolarHBondContact N-O 3.01Å; K310-H313 PolarHBondContact O-N 3.34Å; K310-H313 VanDerWaalsContact O-O 3.1Å; H313-L326 HydrophobicContact CB-CD1 3.79Å; H313-Y327 CarbonylContact C-O 3.32Å; H313-Y327 WeakPolarHBondContact CA-O 3.4Å; H313-Y327 WeakPolarHBondContact CB-O 3.12Å; H313-L328 WeakPolarHBondContact CD2-CD2 3.41Å; H313-L328 VanDerWaalsContact NE2-CD2 3.32Å; H313-L328 WeakPolarHBondContact NE2-CD2 3.31Å
314	F	88.7	Confident	82.3	Confident	3 Å²	3	52.9 Å²	52.9	1%	0.013	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	146.7	163	72.8	-79	0	0	0	111	L307 F308 F309 R316 L326 Y327 I329 F332 W333	L307-F314 HydrophobicContact CB-CD2 4.47Å; L307-F314 HydrophobicContact CD2-CD2 4.05Å; L307-F314 HydrophobicContact CD2-CE2 3.94Å; F308-F314 CarbonylContact O-C 3.57Å; F308-F314 WeakPolarHBondContact O-CA 3.06Å; F308-F314 VanDerWaalsContact O-CB 3.31Å; F308-F314 WeakPolarHBondContact O-CB 3.33Å; F309-F314 HydrophobicContact CD1-CB 3.6Å; F309-F314 HydrophobicContact CD1-CG 4.28Å; F309-F314 HydrophobicContact CE1-CB 3.9Å; F309-F314 HydrophobicContact CE1-CD1 4.47Å; F309-F314 HydrophobicContact CE1-CG 4.1Å; F309-F314 HydrophobicContact CG-CB 4.12Å; F314-R316 HydrophobicContact CE2-CB 4.16Å; F314-L326 WeakPolarHBondContact O-CD1 3.47Å; F314-Y327 VanDerWaalsContact CE1-CB 3.47Å; F314-Y327 HydrophobicContact CE1-CG 4.39Å; F314-Y327 AromaticContact CE2-CD2 3.92Å; F314-Y327 HydrophobicContact CE2-CD2 3.92Å; F314-Y327 AromaticContact CZ-CD2 3.83Å; F314-Y327 HydrophobicContact CZ-CD2 3.83Å; F314-Y327 HydrophobicContact CZ-CG 4.09Å; F314-Y327 PolarHBondContact N-O 3.29Å; F314-Y327 PolarHBondContact O-N 3.25Å; F314-I329 HydrophobicContact CB-CG1 4.39Å; F314-I329 HydrophobicContact CD1-CG1 3.9Å; F314-F332 AromaticContact CE1-CD2 3.57Å; F314-F332 HydrophobicContact CE1-CD2 3.57Å; F314-F332 HydrophobicContact CE1-CE2 4.02Å; F314-F332 HydrophobicContact CE1-CG 4.27Å; F314-F332 AromaticContact CZ-CD2 3.56Å; F314-F332 HydrophobicContact CZ-CD2 3.56Å; F314-F332 AromaticContact CZ-CE2 3.77Å; F314-F332 HydrophobicContact CZ-CE2 3.77Å; F314-F332 HydrophobicContact CZ-CG 4.05Å; F314-F332 HydrophobicContact CZ-CZ 4.36Å; F314-W333 HydrophobicContact CD1-CZ3 4.25Å; F314-W333 AromaticContact CE1-CZ3 3.84Å; F314-W333 HydrophobicContact CE1-CZ3 3.84Å; F314-W333 HydrophobicContact CE2-CZ3 4.48Å; F314-W333 HydrophobicContact CZ-CH2 4.21Å; F314-W333 AromaticContact CZ-CZ3 3.98Å; F314-W333 HydrophobicContact CZ-CZ3 3.98Å
315	W	92.3	Very high	82.1	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	134.4	166.7	-62.5	-99.3	0	0	0	109.3	P287 T289 L294 F296 L307 F308 K310 P324 D325 L326 L475	P287-W315 HydrophobicContact CB-CH2 3.55Å; P287-W315 HydrophobicContact CB-CZ2 3.86Å; P287-W315 HydrophobicContact CG-CH2 3.44Å; P287-W315 VanDerWaalsContact CG-CH2 3.44Å; P287-W315 HydrophobicContact CG-CZ2 3.84Å; P287-W315 HydrophobicContact CG-CZ3 4.44Å; T289-W315 PolarHBondContact OG1-NE1 3.48Å; L294-W315 HydrophobicContact CD1-CH2 3.7Å; L294-W315 HydrophobicContact CD1-CZ2 4.4Å; L294-W315 HydrophobicContact CD1-CZ3 4.36Å; L294-W315 HydrophobicContact CD2-CH2 4Å; L294-W315 HydrophobicContact CD2-CZ2 4.15Å; L294-W315 HydrophobicContact CD2-CZ3 4.5Å; L294-W315 HydrophobicContact CG-CH2 4.47Å; F296-W315 HydrophobicContact CD1-CE3 4.23Å; F296-W315 AromaticContact CD1-CZ3 3.89Å; F296-W315 HydrophobicContact CD1-CZ3 3.89Å; F296-W315 AromaticContact CE1-CE3 3.7Å; F296-W315 HydrophobicContact CE1-CE3 3.7Å; F296-W315 HydrophobicContact CE1-CH2 4.32Å; F296-W315 AromaticContact CE1-CZ3 3.54Å; F296-W315 HydrophobicContact CE1-CZ3 3.54Å; L307-W315 CarbonylContact C-O 3.55Å; L307-W315 WeakPolarHBondContact CA-O 3.36Å; F308-W315 HydrophobicContact CB-CB 4.28Å; F308-W315 HydrophobicContact CB-CE3 4.06Å; F308-W315 HydrophobicContact CD2-CB 4.48Å; F308-W315 PolarHBondContact N-O 3.21Å; F308-W315 PolarHBondContact O-N 2.95Å; K310-W315 HydrophobicContact CB-CH2 4.01Å; K310-W315 HydrophobicContact CB-CZ3 3.57Å; K310-W315 HydrophobicContact CG-CH2 4.47Å; K310-W315 HydrophobicContact CG-CZ3 4.46Å; W315-P324 HydrophobicContact CB-CB 4.27Å; W315-D325 CarbonylContact C-O 3.46Å; W315-D325 VanDerWaalsContact CA-O 3.27Å; W315-D325 WeakPolarHBondContact CA-O 2.91Å; W315-L326 HydrophobicContact CD2-CD1 3.8Å; W315-L326 HydrophobicContact CE3-CD1 4.41Å; W315-L326 HydrophobicContact CG-CD1 4.01Å; W315-L326 HydrophobicContact CZ2-CD1 4.07Å; W315-L475 HydrophobicContact CB-CD2 3.94Å; W315-L475 HydrophobicContact CD2-CD1 4.02Å; W315-L475 HydrophobicContact CG-CD1 4.07Å; W315-L475 HydrophobicContact CG-CD2 4.11Å
316	R	86.9	Confident	81.7	Confident	44 Å²	44	51.8 Å²	51.8	17%	0.166	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	111.4	169	-173.5	179.1	-179.3	-173.1	-2.2	108	E305 L307 F314 P324 D325 Y327	E305-R316 IonicContact OE1-CZ 3.44Å; E305-R316 IonicContact OE1-NE 3.36Å; E305-R316 PolarHBondContact OE1-NE 2.71Å; E305-R316 IonicContact OE1-NH2 3.28Å; E305-R316 IonicContact OE2-CZ 2.81Å; E305-R316 IonicContact OE2-NE 3.3Å; E305-R316 PolarHBondContact OE2-NE 2.84Å; E305-R316 IonicContact OE2-NH2 3.93Å; E305-R316 PolarHBondContact OE2-NH2 3.39Å; L307-R316 HydrophobicContact CD2-CB 4.17Å; L307-R316 HydrophobicContact CD2-CG 3.92Å; F314-R316 HydrophobicContact CE2-CB 4.16Å; R316-P324 WeakPolarHBondContact O-CA 3.49Å; R316-D325 PolarHBondContact N-O 2.77Å; R316-D325 PolarHBondContact O-N 3.1Å; R316-Y327 HydrophobicContact CB-CD2 4.02Å; R316-Y327 HydrophobicContact CB-CE2 3.77Å
317	K	84.6	Confident	80.9	Confident	13 Å²	13	52.5 Å²	52.5	6%	0.057	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	110.4	176.4	-176.3	70.6	177.6	83.6	0	109.6	I306 F308 K321 P324 W474	I306-K317 HydrophobicContact CB-CB 4.39Å; I306-K317 PolarHBondContact N-O 3.04Å; I306-K317 PolarHBondContact O-N 3.4Å; F308-K317 HydrophobicContact CD2-CB 4.46Å; F308-K317 HydrophobicContact CE2-CB 3.95Å; K317-K321 PolarHBondContact NZ-O 2.91Å; K317-P324 HydrophobicContact CB-CB 4.46Å; K317-P324 HydrophobicContact CD-CB 3.99Å; K317-W474 WeakPolarHBondContact CD-O 3.5Å; K317-W474 WeakPolarHBondContact CE-O 3.43Å
318	S	80.6	Confident	79.6	Confident	23 Å²	23	52.9 Å²	52.9	16%	0.161	24%	0.242	C	C	.	.			trans	-82.3	141.3	163.6	-172.7	0	0	0	0	109.8	E305 R320 K321	E305-S318 WeakPolarHBondContact OE1-CB 3.45Å; S318-R320 PolarHBondContact O-N 3.41Å; S318-R320 PolarHBondContact OG-N 3.19Å; S318-K321 VanDerWaalsContact O-O 3.07Å
319	L	70.7	Confident	78.4	Confident	83 Å²	83	53.1 Å²	53.1	44%	0.435	24%	0.243	S	C	.	.	S	Bend	trans	-68.3	-16.2	169.7	-65.5	174.4	0	0	0	112.3	F444 W474	L319-F444 HydrophobicContact CD1-CE1 4.12Å; L319-F444 HydrophobicContact CD1-CZ 3.61Å; L319-F444 HydrophobicContact CD2-CE2 4.43Å; L319-F444 HydrophobicContact CD2-CZ 4.03Å; L319-F444 HydrophobicContact CG-CZ 4.49Å; L319-W474 HydrophobicContact CD2-CZ3 4.37Å
320	R	67.8	Low	77	Confident	244 Å²	244	54.6 Å²	54.6	92%	0.921	25%	0.253	S	S	*	.	S	Bend	trans	-90.1	-23.3	-178.8	-58.8	-177.4	-175.1	179.2	2.7	113.7	S318	S318-R320 PolarHBondContact O-N 3.41Å; S318-R320 PolarHBondContact OG-N 3.19Å
321	K	67.3	Low	75.4	Confident	76 Å²	76	53.8 Å²	53.8	33%	0.33	25%	0.252	S	S	.	.			trans	-101.9	140	178.8	-168.8	177.1	175.6	176.5	0	109.5	K317 S318 E323 D325	K317-K321 PolarHBondContact NZ-O 2.91Å; S318-K321 VanDerWaalsContact O-O 3.07Å; K321-E323 WeakPolarHBondContact CD-O 3.42Å; K321-E323 WeakPolarHBondContact CG-O 3.42Å; K321-D325 IonicContact NZ-OD1 3.1Å; K321-D325 PolarHBondContact NZ-OD1 3.36Å; K321-D325 IonicContact NZ-OD2 2.8Å; K321-D325 PolarHBondContact NZ-OD2 3.01Å
322	L	61.1	Low	74.5	Confident	129 Å²	129	51.4 Å²	51.4	68%	0.675	24%	0.238	S	C	*	.	S	Bend	trans	-69.9	-55.3	176.9	-163.8	73	0	0	0	109.7	N476	L322-N476 PolarHBondContact O-ND2 2.9Å
323	E	67.9	Low	74.5	Confident	140 Å²	140	45.8 Å²	45.8	65%	0.654	22%	0.217	S	C	*	.	S	Bend	trans	-85.9	136.8	-176.2	-61.1	-172.4	171.2	0	0	112.1	K321	K321-E323 WeakPolarHBondContact CD-O 3.42Å; K321-E323 WeakPolarHBondContact CG-O 3.42Å
324	P	76.6	Confident	73.8	Confident	22 Å²	22	48.7 Å²	48.7	14%	0.143	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-76.2	141.7	172.4	31.1	-32.4	0	0	0	111	T289 W315 R316 K317 L475	T289-P324 HydrophobicContact CG2-CG 4.25Å; W315-P324 HydrophobicContact CB-CB 4.27Å; R316-P324 WeakPolarHBondContact O-CA 3.49Å; K317-P324 HydrophobicContact CB-CB 4.46Å; K317-P324 HydrophobicContact CD-CB 3.99Å; P324-L475 HydrophobicContact CB-CD2 3.99Å; P324-L475 HydrophobicContact CG-CB 4.01Å; P324-L475 HydrophobicContact CG-CD2 3.98Å
325	D	75.9	Confident	73.1	Confident	32 Å²	32	52.3 Å²	52.3	17%	0.171	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	132.3	174.5	-64.3	-56.9	0	0	0	110.2	W315 R316 K321 Y327	W315-D325 CarbonylContact C-O 3.46Å; W315-D325 VanDerWaalsContact CA-O 3.27Å; W315-D325 WeakPolarHBondContact CA-O 2.91Å; R316-D325 PolarHBondContact N-O 2.77Å; R316-D325 PolarHBondContact O-N 3.1Å; K321-D325 IonicContact NZ-OD1 3.1Å; K321-D325 PolarHBondContact NZ-OD1 3.36Å; K321-D325 IonicContact NZ-OD2 2.8Å; K321-D325 PolarHBondContact NZ-OD2 3.01Å; D325-Y327 HydrophobicContact CB-CD2 4.23Å; D325-Y327 HydrophobicContact CB-CE1 4.41Å; D325-Y327 HydrophobicContact CB-CE2 3.34Å; D325-Y327 VanDerWaalsContact CB-CZ 3.46Å; D325-Y327 WeakPolarHBondContact CB-OH 3.26Å
326	L	78.9	Confident	72.4	Confident	25 Å²	25	53 Å²	53	13%	0.131	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	123.2	179.7	178.8	59	0	0	0	110.5	M286 H313 F314 W315	M286-L326 HydrophobicContact CE-CD2 4.01Å; M286-L326 HydrophobicContact CG-CD2 4.2Å; H313-L326 HydrophobicContact CB-CD1 3.79Å; F314-L326 WeakPolarHBondContact O-CD1 3.47Å; W315-L326 HydrophobicContact CD2-CD1 3.8Å; W315-L326 HydrophobicContact CE3-CD1 4.41Å; W315-L326 HydrophobicContact CG-CD1 4.01Å; W315-L326 HydrophobicContact CZ2-CD1 4.07Å
327	Y	76.5	Confident	72.1	Confident	14 Å²	14	52.8 Å²	52.8	6%	0.055	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	161.8	-176.9	-61.7	-66.7	0	0	0	111.9	I191 H313 F314 R316 D325 F332	I191-Y327 HydrophobicContact CG2-CE1 4.01Å; H313-Y327 CarbonylContact C-O 3.32Å; H313-Y327 WeakPolarHBondContact CA-O 3.4Å; H313-Y327 WeakPolarHBondContact CB-O 3.12Å; F314-Y327 VanDerWaalsContact CE1-CB 3.47Å; F314-Y327 HydrophobicContact CE1-CG 4.39Å; F314-Y327 AromaticContact CE2-CD2 3.92Å; F314-Y327 HydrophobicContact CE2-CD2 3.92Å; F314-Y327 AromaticContact CZ-CD2 3.83Å; F314-Y327 HydrophobicContact CZ-CD2 3.83Å; F314-Y327 HydrophobicContact CZ-CG 4.09Å; F314-Y327 PolarHBondContact N-O 3.29Å; F314-Y327 PolarHBondContact O-N 3.25Å; R316-Y327 HydrophobicContact CB-CD2 4.02Å; R316-Y327 HydrophobicContact CB-CE2 3.77Å; D325-Y327 HydrophobicContact CB-CD2 4.23Å; D325-Y327 HydrophobicContact CB-CE1 4.41Å; D325-Y327 HydrophobicContact CB-CE2 3.34Å; D325-Y327 VanDerWaalsContact CB-CZ 3.46Å; D325-Y327 WeakPolarHBondContact CB-OH 3.26Å; Y327-F332 AromaticContact CD1-CE2 3.72Å; Y327-F332 HydrophobicContact CD1-CE2 3.72Å; Y327-F332 AromaticContact CD1-CZ 3.92Å; Y327-F332 HydrophobicContact CD1-CZ 3.92Å; Y327-F332 HydrophobicContact CD2-CE2 4.16Å; Y327-F332 HydrophobicContact CD2-CZ 4.24Å; Y327-F332 HydrophobicContact CE1-CE2 4.44Å; Y327-F332 HydrophobicContact CE1-CZ 4.18Å; Y327-F332 HydrophobicContact CE2-CZ 4.45Å; Y327-F332 AromaticContact CG-CE2 3.55Å; Y327-F332 HydrophobicContact CG-CE2 3.55Å; Y327-F332 AromaticContact CG-CZ 3.95Å; Y327-F332 HydrophobicContact CG-CZ 3.95Å
328	L	65.8	Low	71.9	Confident	12 Å²	12	55.4 Å²	55.4	6%	0.063	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	139.3	163	-78.9	170.2	0	0	0	109.9	T102 F103 R312 H313 S330 S331	T102-L328 WeakPolarHBondContact O-CB 3.45Å; T102-L328 WeakPolarHBondContact O-CD1 3.47Å; F103-L328 HydrophobicContact CB-CD1 4.2Å; F103-L328 HydrophobicContact CD1-CD1 3.05Å; F103-L328 HydrophobicContact CD1-CG 4.3Å; F103-L328 HydrophobicContact CE1-CD1 3.35Å; F103-L328 HydrophobicContact CE1-CG 4.21Å; F103-L328 HydrophobicContact CG-CD1 3.74Å; F103-L328 HydrophobicContact CZ-CD1 4.27Å; R312-L328 HydrophobicContact CB-CD2 4.07Å; R312-L328 VanDerWaalsContact O-CD2 3.3Å; R312-L328 WeakPolarHBondContact O-CD2 3.42Å; H313-L328 WeakPolarHBondContact CD2-CD2 3.41Å; H313-L328 VanDerWaalsContact NE2-CD2 3.32Å; H313-L328 WeakPolarHBondContact NE2-CD2 3.31Å; L328-S330 PolarHBondContact O-N 3.09Å; L328-S331 VanDerWaalsContact O-CB 3.25Å; L328-S331 WeakPolarHBondContact O-CB 3.1Å; L328-S331 PolarHBondContact O-N 3.36Å; L328-S331 PolarHBondContact O-OG 2.97Å
329	I	70.7	Confident	72	Confident	5 Å²	5	55 Å²	55	3%	0.026	29%	0.29	C	S	.	.	H	α-helix	trans	-58.9	-42.7	176.8	-64.5	170.9	0	0	0	109.7	F309 R312 F314 S331 F332 W333 L336 M340	F309-I329 HydrophobicContact CD1-CD1 3.82Å; F309-I329 HydrophobicContact CD1-CG1 3.96Å; F309-I329 HydrophobicContact CE1-CG1 4.36Å; R312-I329 WeakPolarHBondContact O-CG1 3.37Å; R312-I329 PolarHBondContact O-N 3.02Å; F314-I329 HydrophobicContact CB-CG1 4.39Å; F314-I329 HydrophobicContact CD1-CG1 3.9Å; I329-S331 PolarHBondContact O-N 3.47Å; I329-F332 PolarHBondContact O-N 3.44Å; I329-F332 VanDerWaalsContact O-N 3.11Å; I329-W333 HydrophobicContact CG2-CE3 4.07Å; I329-W333 PolarHBondContact O-N 3.49Å; I329-L336 HydrophobicContact CG2-CB 4.17Å; I329-L336 HydrophobicContact CG2-CD1 4.38Å; I329-M340 HydrophobicContact CD1-CE 4.43Å; I329-M340 HydrophobicContact CG2-CE 4.13Å
330	S	65.9	Low	73.1	Confident	30 Å²	30	51.2 Å²	51.2	21%	0.21	27%	0.27	C	S	.	.	H	α-helix	trans	-64.1	-18.4	178.5	46.9	0	0	0	0	113.8	T101 T102 L328 F332 P334	T101-S330 WeakPolarHBondContact O-CB 3.48Å; T102-S330 PolarHBondContact O-OG 2.81Å; L328-S330 PolarHBondContact O-N 3.09Å; S330-F332 VanDerWaalsContact C-N 3.26Å; S330-F332 PolarHBondContact O-N 3.48Å; S330-P334 WeakPolarHBondContact O-CG 3.45Å
331	S	57.2	Low	74.5	Confident	18 Å²	18	40.7 Å²	40.7	13%	0.126	23%	0.233	C	C	.	.	H	α-helix	trans	-64.4	-32.5	173.2	-58.8	0	0	0	0	113.2	T102 L328 I329	T102-S331 WeakPolarHBondContact CB-OG 3.27Å; T102-S331 VanDerWaalsContact CG2-CA 3.44Å; L328-S331 VanDerWaalsContact O-CB 3.25Å; L328-S331 WeakPolarHBondContact O-CB 3.1Å; L328-S331 PolarHBondContact O-N 3.36Å; L328-S331 PolarHBondContact O-OG 2.97Å; I329-S331 PolarHBondContact O-N 3.47Å
332	F	67.1	Low	76	Confident	22 Å²	22	37.1 Å²	37.1	10%	0.096	22%	0.217	C	C	.	.	H	α-helix	trans	-107.6	-34.3	-176.3	-64.6	-99	0	0	0	110.9	F314 Y327 I329 S330 N366	F314-F332 AromaticContact CE1-CD2 3.57Å; F314-F332 HydrophobicContact CE1-CD2 3.57Å; F314-F332 HydrophobicContact CE1-CE2 4.02Å; F314-F332 HydrophobicContact CE1-CG 4.27Å; F314-F332 AromaticContact CZ-CD2 3.56Å; F314-F332 HydrophobicContact CZ-CD2 3.56Å; F314-F332 AromaticContact CZ-CE2 3.77Å; F314-F332 HydrophobicContact CZ-CE2 3.77Å; F314-F332 HydrophobicContact CZ-CG 4.05Å; F314-F332 HydrophobicContact CZ-CZ 4.36Å; Y327-F332 AromaticContact CD1-CE2 3.72Å; Y327-F332 HydrophobicContact CD1-CE2 3.72Å; Y327-F332 AromaticContact CD1-CZ 3.92Å; Y327-F332 HydrophobicContact CD1-CZ 3.92Å; Y327-F332 HydrophobicContact CD2-CE2 4.16Å; Y327-F332 HydrophobicContact CD2-CZ 4.24Å; Y327-F332 HydrophobicContact CE1-CE2 4.44Å; Y327-F332 HydrophobicContact CE1-CZ 4.18Å; Y327-F332 HydrophobicContact CE2-CZ 4.45Å; Y327-F332 AromaticContact CG-CE2 3.55Å; Y327-F332 HydrophobicContact CG-CE2 3.55Å; Y327-F332 AromaticContact CG-CZ 3.95Å; Y327-F332 HydrophobicContact CG-CZ 3.95Å; I329-F332 PolarHBondContact O-N 3.44Å; I329-F332 VanDerWaalsContact O-N 3.11Å; S330-F332 VanDerWaalsContact C-N 3.26Å; S330-F332 PolarHBondContact O-N 3.48Å; F332-N366 WeakPolarHBondContact CD1-OD1 3.26Å; F332-N366 VanDerWaalsContact O-O 3.11Å
333	W	79.1	Confident	77.7	Confident	4 Å²	4	31 Å²	31	2%	0.015	19%	0.185	C	C	.	.			trans	-137.7	80.5	-175.5	-50.4	-70.6	0	0	0	111.6	L307 F309 F314 I329 S335 L336 I363 G365 N366	L307-W333 HydrophobicContact CD1-CH2 4.15Å; F309-W333 AromaticContact CE1-CZ3 3.91Å; F309-W333 HydrophobicContact CE1-CZ3 3.91Å; F309-W333 HydrophobicContact CZ-CZ3 4.26Å; F314-W333 HydrophobicContact CD1-CZ3 4.25Å; F314-W333 AromaticContact CE1-CZ3 3.84Å; F314-W333 HydrophobicContact CE1-CZ3 3.84Å; F314-W333 HydrophobicContact CE2-CZ3 4.48Å; F314-W333 HydrophobicContact CZ-CH2 4.21Å; F314-W333 AromaticContact CZ-CZ3 3.98Å; F314-W333 HydrophobicContact CZ-CZ3 3.98Å; I329-W333 HydrophobicContact CG2-CE3 4.07Å; I329-W333 PolarHBondContact O-N 3.49Å; W333-S335 PolarHBondContact O-N 3.02Å; W333-S335 VanDerWaalsContact O-N 3.15Å; W333-L336 HydrophobicContact CB-CB 3.97Å; W333-L336 HydrophobicContact CB-CD1 3.44Å; W333-L336 VanDerWaalsContact CB-CD1 3.44Å; W333-L336 HydrophobicContact CB-CG 3.58Å; W333-L336 HydrophobicContact CD2-CD1 3.92Å; W333-L336 HydrophobicContact CE3-CD1 4.09Å; W333-L336 HydrophobicContact CG-CD1 3.66Å; W333-L336 HydrophobicContact CG-CG 4.26Å; W333-L336 WeakPolarHBondContact O-CB 2.99Å; W333-L336 PolarHBondContact O-N 3.5Å; W333-L336 VanDerWaalsContact O-N 3.12Å; W333-I363 HydrophobicContact CD2-CD1 4.17Å; W333-I363 VanDerWaalsContact CE2-CD1 3.44Å; W333-I363 HydrophobicContact CH2-CD1 4.21Å; W333-I363 HydrophobicContact CZ2-CD1 3.48Å; W333-I363 VanDerWaalsContact CZ2-CD1 3.48Å; W333-G365 PolarHBondContact NE1-O 3.12Å; W333-N366 VanDerWaalsContact CD1-O 3.26Å
334	P	68.9	Low	79.1	Confident	84 Å²	84	24.5 Å²	24.5	55%	0.545	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-26.8	-176.2	-24	32.3	0	0	0	114.8	S330	S330-P334 WeakPolarHBondContact O-CG 3.45Å
335	S	72.9	Confident	80	Confident	78 Å²	78	23.8 Å²	23.8	55%	0.545	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-5.1	-178.4	59.9	0	0	0	0	114.1	W333 V368	W333-S335 PolarHBondContact O-N 3.02Å; W333-S335 VanDerWaalsContact O-N 3.15Å; S335-V368 WeakPolarHBondContact OG-CG2 3.42Å
336	L	78.1	Confident	80.9	Confident	16 Å²	16	22.5 Å²	22.5	8%	0.084	14%	0.143	C	C	.	.	S	Bend	trans	-78.3	142.8	175.7	-78.3	-171.6	0	0	0	111.1	I329 W333 M340 I354 W361 I363 V368	I329-L336 HydrophobicContact CG2-CB 4.17Å; I329-L336 HydrophobicContact CG2-CD1 4.38Å; W333-L336 HydrophobicContact CB-CB 3.97Å; W333-L336 HydrophobicContact CB-CD1 3.44Å; W333-L336 VanDerWaalsContact CB-CD1 3.44Å; W333-L336 HydrophobicContact CB-CG 3.58Å; W333-L336 HydrophobicContact CD2-CD1 3.92Å; W333-L336 HydrophobicContact CE3-CD1 4.09Å; W333-L336 HydrophobicContact CG-CD1 3.66Å; W333-L336 HydrophobicContact CG-CG 4.26Å; W333-L336 WeakPolarHBondContact O-CB 2.99Å; W333-L336 PolarHBondContact O-N 3.5Å; W333-L336 VanDerWaalsContact O-N 3.12Å; L336-M340 HydrophobicContact CB-CE 3.75Å; L336-M340 HydrophobicContact CD1-CE 4.16Å; L336-M340 HydrophobicContact CG-CE 4.41Å; L336-I354 HydrophobicContact CD1-CG1 4.09Å; L336-I354 HydrophobicContact CD2-CB 4.38Å; L336-I354 HydrophobicContact CD2-CG2 4.46Å; L336-W361 HydrophobicContact CD2-CB 3.63Å; L336-W361 HydrophobicContact CD2-CD2 3.84Å; L336-W361 HydrophobicContact CD2-CE3 4.45Å; L336-W361 HydrophobicContact CD2-CG 3.46Å; L336-W361 VanDerWaalsContact CD2-CG 3.46Å; L336-I363 HydrophobicContact CD1-CG2 4.27Å; L336-V368 HydrophobicContact CD2-CG2 4.31Å; L336-V368 HydrophobicContact CG-CG2 4.26Å
337	P	80.9	Confident	81.4	Confident	39 Å²	39	23.9 Å²	23.9	25%	0.253	15%	0.152	S	C	.	.			trans	-68.4	178.5	175.8	28.9	-33.7	0	0	0	111.7	M340 K356 W361	P337-M340 HydrophobicContact CG-CE 4.15Å; P337-M340 HydrophobicContact CG-SD 3.86Å; P337-M340 WeakPolarHBondContact O-CE 3.42Å; P337-K356 HydrophobicContact CB-CB 4.49Å; P337-K356 HydrophobicContact CB-CG 4.16Å; P337-K356 HydrophobicContact CG-CB 3.65Å; P337-K356 HydrophobicContact CG-CG 3.86Å; P337-W361 HydrophobicContact CG-CH2 3.69Å; P337-W361 HydrophobicContact CG-CZ2 4.1Å; P337-W361 HydrophobicContact CG-CZ3 3.92Å
338	S	79.3	Confident	81.9	Confident	68 Å²	68	27 Å²	27	48%	0.476	18%	0.176	S	C	.	.	S	Bend	trans	-103.3	156.2	169.1	52.3	0	0	0	0	111.5	D311	D311-S338 WeakPolarHBondContact O-CB 3.33Å
339	G	84.6	Confident	83.1	Confident	14 Å²	14	29.8 Å²	29.8	14%	0.144	19%	0.188	C	C	.	.	S	Bend	trans	63.2	66	179.9	0	0	0	0	0	111.7	D311 K356	D311-G339 PolarHBondContact O-N 3.01Å; G339-K356 WeakPolarHBondContact O-CD 3.19Å; G339-K356 WeakPolarHBondContact O-CE 3.33Å; G339-K356 PolarHBondContact O-NZ 3.15Å
340	M	92.6	Very high	84	Confident	3 Å²	3	31.6 Å²	31.6	2%	0.015	20%	0.198	C	C	.	.			trans	-58.9	150	-177.2	-55.4	-51.3	178.1	0	0	111.9	D297 A298 I329 L336 P337 I354	D297-M340 CarbonylContact C-O 3.52Å; D297-M340 WeakPolarHBondContact CB-O 3.44Å; A298-M340 HydrophobicContact CB-CB 3.97Å; I329-M340 HydrophobicContact CD1-CE 4.43Å; I329-M340 HydrophobicContact CG2-CE 4.13Å; L336-M340 HydrophobicContact CB-CE 3.75Å; L336-M340 HydrophobicContact CD1-CE 4.16Å; L336-M340 HydrophobicContact CG-CE 4.41Å; P337-M340 HydrophobicContact CG-CE 4.15Å; P337-M340 HydrophobicContact CG-SD 3.86Å; P337-M340 WeakPolarHBondContact O-CE 3.42Å; M340-I354 HydrophobicContact CB-CG2 4.17Å; M340-I354 HydrophobicContact CE-CG2 3.79Å; M340-I354 HydrophobicContact CG-CG2 3.61Å; M340-I354 HydrophobicContact SD-CG2 3.33Å; M340-I354 WeakPolarHBondContact SD-CG2 3.16Å
341	D	97.2	Very high	85.3	Confident	24 Å²	24	31.1 Å²	31.1	13%	0.128	19%	0.193	C	C	.	.	S	Bend	trans	-94.1	-27.2	176.3	-55	-30.7	0	0	0	111.9	F355 K356 G357 I388 D389	D341-F355 PolarHBondContact N-O 3.41Å; D341-K356 IonicContact OD1-NZ 3.84Å; D341-K356 PolarHBondContact OD1-NZ 3.39Å; D341-G357 PolarHBondContact OD2-N 3.19Å; D341-I388 CarbonylContact C-O 3.57Å; D341-I388 WeakPolarHBondContact CB-O 3.17Å; D341-D389 CarbonylContact O-C 3.5Å; D341-D389 VanDerWaalsContact O-C 3.28Å
342	A	98.1	Very high	87.2	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	159	173.6	0	0	0	0	0	111.2	F355 I388 A391	A342-F355 HydrophobicContact CB-CB 4.07Å; A342-F355 HydrophobicContact CB-CD2 4.27Å; A342-F355 HydrophobicContact CB-CG 4.39Å; A342-F355 PolarHBondContact N-O 2.78Å; A342-F355 PolarHBondContact O-N 3.04Å; A342-I388 HydrophobicContact CB-CB 4.41Å; A342-I388 HydrophobicContact CB-CG2 4.05Å; A342-A391 HydrophobicContact CB-CB 4.13Å
343	A	97.9	Very high	88.6	Confident	1 Å²	1	29.8 Å²	29.8	1%	0.008	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	146	175.2	0	0	0	0	0	110.8	A298 V299 F309 F353 I354	A298-A343 HydrophobicContact CB-CB 3.84Å; V299-A343 VanDerWaalsContact O-O 3.05Å; F309-A343 HydrophobicContact CD2-CB 4.38Å; F309-A343 HydrophobicContact CE2-CB 4.21Å; A343-F353 CarbonylContact C-O 3.57Å; A343-F353 WeakPolarHBondContact CA-O 3.34Å; A343-I354 HydrophobicContact CB-CD1 3.5Å
344	Y	97.6	Very high	89.5	Confident	4 Å²	4	29.6 Å²	29.6	2%	0.016	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	150.8	172.1	75.7	-86.9	0	0	0	113.8	S300 V346 V352 F353 F355 A391 T400 F402 E413	S300-Y344 VanDerWaalsContact OG-C 3.24Å; S300-Y344 WeakPolarHBondContact OG-CA 3.24Å; Y344-V346 HydrophobicContact CD2-CG2 3.97Å; Y344-V346 HydrophobicContact CE2-CG2 3.34Å; Y344-V352 CarbonylContact O-C 3.55Å; Y344-V352 VanDerWaalsContact O-CA 3.3Å; Y344-V352 WeakPolarHBondContact O-CA 3.41Å; Y344-F353 HydrophobicContact CD1-CB 3.89Å; Y344-F353 HydrophobicContact CD2-CD2 4.47Å; Y344-F353 HydrophobicContact CE1-CB 3.51Å; Y344-F353 HydrophobicContact CE1-CD2 4.15Å; Y344-F353 HydrophobicContact CE1-CG 4.04Å; Y344-F353 AromaticContact CE2-CD2 3.83Å; Y344-F353 HydrophobicContact CE2-CD2 3.83Å; Y344-F353 AromaticContact CZ-CD2 3.61Å; Y344-F353 AromaticContact CZ-CG 3.91Å; Y344-F353 PolarHBondContact N-O 3.18Å; Y344-F353 PolarHBondContact O-N 3.1Å; Y344-F355 AromaticContact CD1-CE2 3.69Å; Y344-F355 HydrophobicContact CD1-CE2 3.69Å; Y344-F355 HydrophobicContact CD1-CZ 4.41Å; Y344-F355 AromaticContact CE1-CE2 3.43Å; Y344-F355 HydrophobicContact CE1-CE2 3.43Å; Y344-F355 VanDerWaalsContact CE1-CE2 3.43Å; Y344-F355 AromaticContact CE1-CZ 3.73Å; Y344-F355 HydrophobicContact CE1-CZ 3.73Å; Y344-A391 HydrophobicContact CD1-CB 3.73Å; Y344-A391 HydrophobicContact CG-CB 4.28Å; Y344-T400 HydrophobicContact CD1-CG2 4.19Å; Y344-T400 HydrophobicContact CD2-CG2 3.81Å; Y344-T400 HydrophobicContact CE1-CG2 3.88Å; Y344-T400 HydrophobicContact CE2-CG2 3.42Å; Y344-T400 VanDerWaalsContact CE2-CG2 3.42Å; Y344-T400 WeakPolarHBondContact CE2-OG1 3.39Å; Y344-T400 HydrophobicContact CG-CG2 4.16Å; Y344-T400 VanDerWaalsContact CZ-CG2 3.5Å; Y344-F402 HydrophobicContact CD1-CE1 4.09Å; Y344-F402 AromaticContact CE1-CE1 3.5Å; Y344-F402 HydrophobicContact CE1-CE1 3.5Å; Y344-F402 VanDerWaalsContact CE1-CE1 3.5Å; Y344-F402 AromaticContact CE1-CZ 3.71Å; Y344-F402 HydrophobicContact CE1-CZ 3.71Å; Y344-F402 AromaticContact CZ-CZ 3.93Å; Y344-E413 PolarHBondContact OH-OE1 2.81Å
345	E	95.7	Very high	90.9	Very high	7 Å²	7	25.6 Å²	25.6	3%	0.033	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	136	175.1	-164.3	-179	-162.3	0	0	112.4	S300 T301 L302 R303 T347 L351 V352 S393	S300-E345 PolarHBondContact OG-N 3.44Å; T301-E345 WeakPolarHBondContact O-CB 3.34Å; T301-E345 PolarHBondContact OG1-OE2 2.77Å; L302-E345 WeakPolarHBondContact CA-OE1 3.43Å; R303-E345 PolarHBondContact N-OE1 2.95Å; E345-T347 HydrophobicContact CG-CG2 4.15Å; E345-T347 WeakPolarHBondContact OE2-CG2 3.4Å; E345-L351 CarbonylContact C-O 3.6Å; E345-L351 WeakPolarHBondContact CA-O 3.43Å; E345-V352 HydrophobicContact CB-CG2 3.98Å; E345-V352 HydrophobicContact CG-CG2 3.87Å; E345-S393 WeakPolarHBondContact O-CB 3.25Å
346	V	94.4	Very high	92	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.024	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	90.4	160.1	-173.8	0	0	0	0	108.5	Y344 S348 K349 D350 L351 F353 E413	Y344-V346 HydrophobicContact CD2-CG2 3.97Å; Y344-V346 HydrophobicContact CE2-CG2 3.34Å; V346-S348 PolarHBondContact O-N 3.45Å; V346-S348 VanDerWaalsContact O-N 3.13Å; V346-K349 HydrophobicContact CB-CB 4.31Å; V346-K349 HydrophobicContact CB-CD 4.33Å; V346-K349 HydrophobicContact CB-CG 4.49Å; V346-K349 HydrophobicContact CG1-CB 4.08Å; V346-K349 HydrophobicContact CG1-CD 3.8Å; V346-K349 HydrophobicContact CG1-CG 3.8Å; V346-K349 PolarHBondContact O-N 3.33Å; V346-D350 PolarHBondContact O-N 3.12Å; V346-D350 VanDerWaalsContact O-N 3.17Å; V346-L351 PolarHBondContact N-O 2.91Å; V346-L351 PolarHBondContact O-N 2.91Å; V346-F353 HydrophobicContact CB-CE2 4.3Å; V346-F353 HydrophobicContact CG2-CD2 3.99Å; V346-F353 HydrophobicContact CG2-CE2 3.7Å; V346-E413 HydrophobicContact CG1-CG 4.5Å; V346-E413 HydrophobicContact CG2-CG 4.45Å
347	T	89.3	Confident	92.8	Very high	55 Å²	55	25.8 Å²	25.8	34%	0.337	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-52.7	-38.4	-176.2	50.9	0	0	0	0	113.5	E345 K349 D350 K395	E345-T347 HydrophobicContact CG-CG2 4.15Å; E345-T347 WeakPolarHBondContact OE2-CG2 3.4Å; T347-K349 PolarHBondContact O-N 3.23Å; T347-D350 PolarHBondContact O-N 3.2Å; T347-K395 HydrophobicContact CG2-CD 4.01Å; T347-K395 HydrophobicContact CG2-CG 4.12Å
348	S	87.4	Confident	93.5	Very high	79 Å²	79	26.9 Å²	26.9	55%	0.552	16%	0.159	S	C	*	.	G	3₁₀ helix	trans	-68.8	-15.7	179.5	56.3	0	0	0	0	114.5	V346	V346-S348 PolarHBondContact O-N 3.45Å; V346-S348 VanDerWaalsContact O-N 3.13Å
349	K	89.4	Confident	94.3	Very high	71 Å²	71	27.1 Å²	27.1	31%	0.309	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	-106.3	-7.7	177.4	-64.2	177	-176	165.1	0	112	V346 T347 L351 R364 E413	V346-K349 HydrophobicContact CB-CB 4.31Å; V346-K349 HydrophobicContact CB-CD 4.33Å; V346-K349 HydrophobicContact CB-CG 4.49Å; V346-K349 HydrophobicContact CG1-CB 4.08Å; V346-K349 HydrophobicContact CG1-CD 3.8Å; V346-K349 HydrophobicContact CG1-CG 3.8Å; V346-K349 PolarHBondContact O-N 3.33Å; T347-K349 PolarHBondContact O-N 3.23Å; K349-L351 VanDerWaalsContact C-N 3.27Å; K349-L351 HydrophobicContact CB-CB 4.22Å; K349-L351 HydrophobicContact CB-CD1 4.01Å; K349-L351 HydrophobicContact CB-CG 4.09Å; K349-L351 PolarHBondContact O-N 2.9Å; K349-R364 PolarHBondContact O-NH2 3.18Å; K349-R364 VanDerWaalsContact O-NH2 3.1Å; K349-E413 IonicContact NZ-OE2 2.91Å; K349-E413 PolarHBondContact NZ-OE2 2.88Å
350	D	89.5	Confident	94.9	Very high	43 Å²	43	26.6 Å²	26.6	23%	0.23	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	52.6	-168.2	-172.1	46.2	0	0	0	110.4	R303 V346 T347 R364	R303-D350 IonicContact CZ-OD1 3.33Å; R303-D350 IonicContact CZ-OD2 3.24Å; R303-D350 IonicContact NE-OD1 3.72Å; R303-D350 PolarHBondContact NE-OD1 3.14Å; R303-D350 IonicContact NE-OD2 2.71Å; R303-D350 IonicContact NH2-OD1 3.36Å; R303-D350 PolarHBondContact NH2-OD1 3.28Å; R303-D350 IonicContact NH2-OD2 2.72Å; R303-D350 PolarHBondContact NH2-OD2 3.48Å; V346-D350 PolarHBondContact O-N 3.12Å; V346-D350 VanDerWaalsContact O-N 3.17Å; T347-D350 PolarHBondContact O-N 3.2Å; D350-R364 WeakPolarHBondContact O-CG 3.35Å; D350-R364 PolarHBondContact O-NE 3.35Å
351	L	94.3	Very high	95.1	Very high	20 Å²	20	27.4 Å²	27.4	11%	0.105	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	134.9	-178.8	-71.9	176.8	0	0	0	110.8	E345 V346 K349 F353 A362 I363 R364 Q369	E345-L351 CarbonylContact C-O 3.6Å; E345-L351 WeakPolarHBondContact CA-O 3.43Å; V346-L351 PolarHBondContact N-O 2.91Å; V346-L351 PolarHBondContact O-N 2.91Å; K349-L351 VanDerWaalsContact C-N 3.27Å; K349-L351 HydrophobicContact CB-CB 4.22Å; K349-L351 HydrophobicContact CB-CD1 4.01Å; K349-L351 HydrophobicContact CB-CG 4.09Å; K349-L351 PolarHBondContact O-N 2.9Å; L351-F353 HydrophobicContact CB-CE2 3.95Å; L351-F353 HydrophobicContact CB-CZ 4.34Å; L351-F353 HydrophobicContact CD1-CE2 4.4Å; L351-F353 HydrophobicContact CD1-CZ 4.02Å; L351-A362 HydrophobicContact CD2-CB 4.46Å; L351-I363 CarbonylContact C-O 3.56Å; L351-I363 VanDerWaalsContact CA-O 3.25Å; L351-I363 WeakPolarHBondContact CA-O 3.39Å; L351-I363 WeakPolarHBondContact CD2-O 3.36Å; L351-R364 HydrophobicContact CD2-CB 3.85Å; L351-Q369 HydrophobicContact CD2-CG 3.49Å; L351-Q369 VanDerWaalsContact CD2-CG 3.49Å
352	V	96.4	Very high	95	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	135.4	163.2	174.1	0	0	0	0	108.3	S300 T301 L302 Y344 E345 I354 A362 I363	S300-V352 WeakPolarHBondContact OG-CG1 3.36Å; T301-V352 VanDerWaalsContact O-CG2 3.3Å; T301-V352 WeakPolarHBondContact O-CG2 3.23Å; L302-V352 HydrophobicContact CB-CG2 4.21Å; L302-V352 HydrophobicContact CD1-CG2 3.67Å; L302-V352 HydrophobicContact CG-CG2 4.45Å; Y344-V352 CarbonylContact O-C 3.55Å; Y344-V352 VanDerWaalsContact O-CA 3.3Å; Y344-V352 WeakPolarHBondContact O-CA 3.41Å; E345-V352 HydrophobicContact CB-CG2 3.98Å; E345-V352 HydrophobicContact CG-CG2 3.87Å; V352-I354 HydrophobicContact CG1-CD1 3.73Å; V352-I354 HydrophobicContact CG1-CG1 4.4Å; V352-A362 CarbonylContact O-C 3.28Å; V352-A362 WeakPolarHBondContact O-CA 3.49Å; V352-I363 HydrophobicContact CB-CD1 3.81Å; V352-I363 HydrophobicContact CB-CG1 3.52Å; V352-I363 HydrophobicContact CG1-CD1 4.01Å; V352-I363 HydrophobicContact CG1-CG1 4.11Å; V352-I363 PolarHBondContact N-O 3.46Å; V352-I363 VanDerWaalsContact O-CG1 3.29Å; V352-I363 WeakPolarHBondContact O-CG1 3.15Å; V352-I363 PolarHBondContact O-N 2.64Å
353	F	97.2	Very high	94.7	Very high	12 Å²	12	26.3 Å²	26.3	5%	0.053	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	131.5	175.5	-68	-90.1	0	0	0	109.2	A343 Y344 V346 L351 F355 F360 W361 A362 Y372	A343-F353 CarbonylContact C-O 3.57Å; A343-F353 WeakPolarHBondContact CA-O 3.34Å; Y344-F353 HydrophobicContact CD1-CB 3.89Å; Y344-F353 HydrophobicContact CD2-CD2 4.47Å; Y344-F353 HydrophobicContact CE1-CB 3.51Å; Y344-F353 HydrophobicContact CE1-CD2 4.15Å; Y344-F353 HydrophobicContact CE1-CG 4.04Å; Y344-F353 AromaticContact CE2-CD2 3.83Å; Y344-F353 HydrophobicContact CE2-CD2 3.83Å; Y344-F353 AromaticContact CZ-CD2 3.61Å; Y344-F353 AromaticContact CZ-CG 3.91Å; Y344-F353 PolarHBondContact N-O 3.18Å; Y344-F353 PolarHBondContact O-N 3.1Å; V346-F353 HydrophobicContact CB-CE2 4.3Å; V346-F353 HydrophobicContact CG2-CD2 3.99Å; V346-F353 HydrophobicContact CG2-CE2 3.7Å; L351-F353 HydrophobicContact CB-CE2 3.95Å; L351-F353 HydrophobicContact CB-CZ 4.34Å; L351-F353 HydrophobicContact CD1-CE2 4.4Å; L351-F353 HydrophobicContact CD1-CZ 4.02Å; F353-F355 HydrophobicContact CB-CE2 3.72Å; F353-F355 HydrophobicContact CB-CZ 4.28Å; F353-F360 AromaticContact CD1-CD2 3.85Å; F353-F360 HydrophobicContact CD1-CD2 3.85Å; F353-F360 AromaticContact CD1-CE2 3.88Å; F353-F360 HydrophobicContact CD1-CE2 3.88Å; F353-F360 HydrophobicContact CE1-CE2 4.12Å; F353-W361 CarbonylContact C-O 3.55Å; F353-W361 WeakPolarHBondContact CA-O 3.28Å; F353-A362 HydrophobicContact CD1-CB 3.65Å; F353-A362 HydrophobicContact CE1-CB 3.46Å; F353-A362 VanDerWaalsContact CE1-CB 3.46Å; F353-A362 HydrophobicContact CZ-CB 4.16Å; F353-Y372 HydrophobicContact CE1-CE1 4.35Å
354	I	97.3	Very high	94.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	135.6	-178.5	-55.1	-62.4	0	0	0	108.7	F309 L336 M340 A343 V352 F360 W361 I363	F309-I354 HydrophobicContact CE2-CD1 4.44Å; F309-I354 HydrophobicContact CZ-CD1 4.25Å; L336-I354 HydrophobicContact CD1-CG1 4.09Å; L336-I354 HydrophobicContact CD2-CB 4.38Å; L336-I354 HydrophobicContact CD2-CG2 4.46Å; M340-I354 HydrophobicContact CB-CG2 4.17Å; M340-I354 HydrophobicContact CE-CG2 3.79Å; M340-I354 HydrophobicContact CG-CG2 3.61Å; M340-I354 HydrophobicContact SD-CG2 3.33Å; M340-I354 WeakPolarHBondContact SD-CG2 3.16Å; A343-I354 HydrophobicContact CB-CD1 3.5Å; V352-I354 HydrophobicContact CG1-CD1 3.73Å; V352-I354 HydrophobicContact CG1-CG1 4.4Å; I354-F360 CarbonylContact O-C 3.43Å; I354-F360 WeakPolarHBondContact O-CA 3.47Å; I354-F360 WeakPolarHBondContact O-CB 3.33Å; I354-W361 PolarHBondContact N-O 2.95Å; I354-W361 PolarHBondContact O-N 3.4Å; I354-I363 HydrophobicContact CD1-CD1 4.49Å; I354-I363 HydrophobicContact CG1-CD1 4.28Å
355	F	97.9	Very high	93.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	137.1	-175.4	-66.6	-101.6	0	0	0	111	D341 A342 Y344 F353 F360 I376 L379 I388 F402	D341-F355 PolarHBondContact N-O 3.41Å; A342-F355 HydrophobicContact CB-CB 4.07Å; A342-F355 HydrophobicContact CB-CD2 4.27Å; A342-F355 HydrophobicContact CB-CG 4.39Å; A342-F355 PolarHBondContact N-O 2.78Å; A342-F355 PolarHBondContact O-N 3.04Å; Y344-F355 AromaticContact CD1-CE2 3.69Å; Y344-F355 HydrophobicContact CD1-CE2 3.69Å; Y344-F355 HydrophobicContact CD1-CZ 4.41Å; Y344-F355 AromaticContact CE1-CE2 3.43Å; Y344-F355 HydrophobicContact CE1-CE2 3.43Å; Y344-F355 VanDerWaalsContact CE1-CE2 3.43Å; Y344-F355 AromaticContact CE1-CZ 3.73Å; Y344-F355 HydrophobicContact CE1-CZ 3.73Å; F353-F355 HydrophobicContact CB-CE2 3.72Å; F353-F355 HydrophobicContact CB-CZ 4.28Å; F355-F360 HydrophobicContact CD1-CB 3.37Å; F355-F360 HydrophobicContact CD1-CG 4.19Å; F355-F360 HydrophobicContact CD2-CB 4.32Å; F355-F360 HydrophobicContact CE1-CB 3.37Å; F355-F360 HydrophobicContact CE1-CD1 4.25Å; F355-F360 HydrophobicContact CE1-CD2 4.07Å; F355-F360 AromaticContact CE1-CG 3.68Å; F355-F360 HydrophobicContact CE1-CG 3.68Å; F355-F360 HydrophobicContact CE2-CB 4.29Å; F355-F360 HydrophobicContact CG-CB 3.87Å; F355-F360 HydrophobicContact CZ-CB 3.83Å; F355-F360 AromaticContact CZ-CD2 3.95Å; F355-F360 HydrophobicContact CZ-CD2 3.95Å; F355-F360 HydrophobicContact CZ-CG 4.02Å; F355-I376 HydrophobicContact CD1-CG2 3.8Å; F355-I376 HydrophobicContact CE1-CG2 4.04Å; F355-L379 HydrophobicContact CE1-CD1 3.84Å; F355-L379 HydrophobicContact CZ-CD1 4.06Å; F355-I388 HydrophobicContact CD1-CB 4.36Å; F355-I388 HydrophobicContact CD1-CD1 3.48Å; F355-I388 VanDerWaalsContact CD1-CD1 3.48Å; F355-I388 HydrophobicContact CD1-CG1 4.06Å; F355-I388 HydrophobicContact CE1-CD1 3.48Å; F355-I388 VanDerWaalsContact CE1-CD1 3.48Å; F355-I388 HydrophobicContact CG-CD1 4.32Å; F355-I388 HydrophobicContact CZ-CD1 4.32Å; F355-F402 HydrophobicContact CE1-CE1 4.18Å; F355-F402 HydrophobicContact CE2-CE1 4.1Å; F355-F402 AromaticContact CZ-CE1 3.64Å; F355-F402 HydrophobicContact CZ-CE1 3.64Å; F355-F402 HydrophobicContact CZ-CZ 4.21Å
356	K	96.1	Very high	92.2	Very high	70 Å²	70	32.2 Å²	32.2	30%	0.304	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	122.1	169.7	-173.4	70.2	-171.4	158.9	0	110.3	P337 G339 D341 N358 Q359 W361	P337-K356 HydrophobicContact CB-CB 4.49Å; P337-K356 HydrophobicContact CB-CG 4.16Å; P337-K356 HydrophobicContact CG-CB 3.65Å; P337-K356 HydrophobicContact CG-CG 3.86Å; G339-K356 WeakPolarHBondContact O-CD 3.19Å; G339-K356 WeakPolarHBondContact O-CE 3.33Å; G339-K356 PolarHBondContact O-NZ 3.15Å; D341-K356 IonicContact OD1-NZ 3.84Å; D341-K356 PolarHBondContact OD1-NZ 3.39Å; K356-N358 PolarHBondContact O-N 2.86Å; K356-Q359 PolarHBondContact N-O 3.11Å; K356-Q359 PolarHBondContact O-N 3.13Å; K356-Q359 VanDerWaalsContact O-O 3.1Å; K356-W361 HydrophobicContact CB-CH2 4.17Å; K356-W361 HydrophobicContact CB-CZ3 3.75Å
357	G	95.3	Very high	91.3	Very high	27 Å²	27	36.2 Å²	36.2	28%	0.278	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	-130.2	-173.4	0	0	0	0	0	110.8	D341 Q359 R386 K387	D341-G357 PolarHBondContact OD2-N 3.19Å; G357-Q359 VanDerWaalsContact C-N 3.26Å; G357-Q359 PolarHBondContact O-N 3Å; G357-R386 CarbonylContact C-O 3.46Å; G357-K387 VanDerWaalsContact O-CA 3.31Å; G357-K387 WeakPolarHBondContact O-CA 3.38Å
358	N	95.2	Very high	90.9	Very high	63 Å²	63	35.5 Å²	35.5	34%	0.337	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	11.8	179.5	71.4	-15	0	0	0	113.5	K356 R375 I376 R386	K356-N358 PolarHBondContact O-N 2.86Å; N358-R375 CarbonylContact O-C 3.42Å; N358-R375 VanDerWaalsContact O-CA 3.27Å; N358-R375 WeakPolarHBondContact O-CA 3.29Å; N358-I376 HydrophobicContact CB-CG1 4.44Å; N358-I376 PolarHBondContact O-N 2.72Å; N358-R386 WeakPolarHBondContact CA-O 3.29Å; N358-R386 PolarHBondContact N-O 2.88Å; N358-R386 VanDerWaalsContact N-O 3.12Å
359	Q	96.3	Very high	91.1	Very high	73 Å²	73	33.7 Å²	33.7	34%	0.341	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	154.8	-177.7	-72.7	-177.6	-60.4	0	0	111.7	K356 G357 W361 P373 K374	K356-Q359 PolarHBondContact N-O 3.11Å; K356-Q359 PolarHBondContact O-N 3.13Å; K356-Q359 VanDerWaalsContact O-O 3.1Å; G357-Q359 VanDerWaalsContact C-N 3.26Å; G357-Q359 PolarHBondContact O-N 3Å; Q359-W361 HydrophobicContact CB-CH2 3.83Å; Q359-W361 HydrophobicContact CB-CZ3 3.93Å; Q359-P373 HydrophobicContact CB-CB 4.05Å; Q359-P373 HydrophobicContact CG-CB 4.35Å; Q359-K374 CarbonylContact C-O 3.6Å; Q359-K374 VanDerWaalsContact CA-O 3.23Å; Q359-K374 WeakPolarHBondContact CA-O 3.47Å
360	F	97.4	Very high	90.7	Very high	3 Å²	3	32.4 Å²	32.4	1%	0.013	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	151.4	172.3	74.6	-76.1	0	0	0	111.2	F353 I354 F355 Y372 P373 K374 R375 I376 L379	F353-F360 AromaticContact CD1-CD2 3.85Å; F353-F360 HydrophobicContact CD1-CD2 3.85Å; F353-F360 AromaticContact CD1-CE2 3.88Å; F353-F360 HydrophobicContact CD1-CE2 3.88Å; F353-F360 HydrophobicContact CE1-CE2 4.12Å; I354-F360 CarbonylContact O-C 3.43Å; I354-F360 WeakPolarHBondContact O-CA 3.47Å; I354-F360 WeakPolarHBondContact O-CB 3.33Å; F355-F360 HydrophobicContact CD1-CB 3.37Å; F355-F360 HydrophobicContact CD1-CG 4.19Å; F355-F360 HydrophobicContact CD2-CB 4.32Å; F355-F360 HydrophobicContact CE1-CB 3.37Å; F355-F360 HydrophobicContact CE1-CD1 4.25Å; F355-F360 HydrophobicContact CE1-CD2 4.07Å; F355-F360 AromaticContact CE1-CG 3.68Å; F355-F360 HydrophobicContact CE1-CG 3.68Å; F355-F360 HydrophobicContact CE2-CB 4.29Å; F355-F360 HydrophobicContact CG-CB 3.87Å; F355-F360 HydrophobicContact CZ-CB 3.83Å; F355-F360 AromaticContact CZ-CD2 3.95Å; F355-F360 HydrophobicContact CZ-CD2 3.95Å; F355-F360 HydrophobicContact CZ-CG 4.02Å; F360-Y372 HydrophobicContact CD2-CD1 4.34Å; F360-Y372 AromaticContact CD2-CE1 3.92Å; F360-Y372 HydrophobicContact CD2-CE1 3.92Å; F360-Y372 HydrophobicContact CE2-CD1 4.26Å; F360-Y372 AromaticContact CE2-CE1 3.46Å; F360-Y372 HydrophobicContact CE2-CE1 3.46Å; F360-Y372 VanDerWaalsContact CE2-CE1 3.46Å; F360-Y372 AromaticContact CZ-CE1 3.92Å; F360-Y372 HydrophobicContact CZ-CE1 3.92Å; F360-Y372 WeakPolarHBondContact O-CD1 3.4Å; F360-P373 CarbonylContact O-C 3.48Å; F360-P373 WeakPolarHBondContact O-CA 3.47Å; F360-K374 HydrophobicContact CD1-CB 4.05Å; F360-K374 WeakPolarHBondContact CD1-O 3.4Å; F360-K374 HydrophobicContact CE1-CB 3.44Å; F360-K374 VanDerWaalsContact CE1-CB 3.44Å; F360-K374 HydrophobicContact CZ-CB 3.79Å; F360-K374 HydrophobicContact CZ-CD 4.43Å; F360-K374 PolarHBondContact N-O 3.26Å; F360-K374 PolarHBondContact O-N 3.27Å; F360-R375 WeakPolarHBondContact CE1-O 3.11Å; F360-I376 HydrophobicContact CD1-CG2 4.13Å; F360-L379 HydrophobicContact CD1-CD1 4.3Å; F360-L379 HydrophobicContact CD2-CD1 4.47Å; F360-L379 HydrophobicContact CE1-CD1 3.96Å; F360-L379 HydrophobicContact CE1-CD2 4.4Å; F360-L379 HydrophobicContact CE1-CG 3.91Å; F360-L379 HydrophobicContact CE2-CD1 4.11Å; F360-L379 HydrophobicContact CE2-CD2 4.11Å; F360-L379 HydrophobicContact CE2-CG 4.33Å; F360-L379 HydrophobicContact CZ-CD1 3.87Å; F360-L379 HydrophobicContact CZ-CD2 3.69Å; F360-L379 HydrophobicContact CZ-CG 3.7Å
361	W	96.8	Very high	90.5	Very high	20 Å²	20	33 Å²	33	8%	0.076	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	153.2	178	-64.4	-107.5	0	0	0	108.9	L336 P337 F353 I354 K356 Q359 V368 P373	L336-W361 HydrophobicContact CD2-CB 3.63Å; L336-W361 HydrophobicContact CD2-CD2 3.84Å; L336-W361 HydrophobicContact CD2-CE3 4.45Å; L336-W361 HydrophobicContact CD2-CG 3.46Å; L336-W361 VanDerWaalsContact CD2-CG 3.46Å; P337-W361 HydrophobicContact CG-CH2 3.69Å; P337-W361 HydrophobicContact CG-CZ2 4.1Å; P337-W361 HydrophobicContact CG-CZ3 3.92Å; F353-W361 CarbonylContact C-O 3.55Å; F353-W361 WeakPolarHBondContact CA-O 3.28Å; I354-W361 PolarHBondContact N-O 2.95Å; I354-W361 PolarHBondContact O-N 3.4Å; K356-W361 HydrophobicContact CB-CH2 4.17Å; K356-W361 HydrophobicContact CB-CZ3 3.75Å; Q359-W361 HydrophobicContact CB-CH2 3.83Å; Q359-W361 HydrophobicContact CB-CZ3 3.93Å; W361-V368 HydrophobicContact CB-CG1 4.45Å; W361-V368 HydrophobicContact CG-CG1 4.49Å; W361-P373 HydrophobicContact CD2-CB 3.89Å; W361-P373 VanDerWaalsContact CE2-CB 3.5Å; W361-P373 HydrophobicContact CE3-CB 4.44Å; W361-P373 HydrophobicContact CG-CB 4.28Å; W361-P373 HydrophobicContact CH2-CB 4.21Å; W361-P373 HydrophobicContact CZ2-CB 3.69Å; W361-P373 HydrophobicContact CZ2-CG 3.81Å
362	A	95.6	Very high	90.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	135.9	164.8	0	0	0	0	0	107.6	L351 V352 F353 V368 Q369 Y372	L351-A362 HydrophobicContact CD2-CB 4.46Å; V352-A362 CarbonylContact O-C 3.28Å; V352-A362 WeakPolarHBondContact O-CA 3.49Å; F353-A362 HydrophobicContact CD1-CB 3.65Å; F353-A362 HydrophobicContact CE1-CB 3.46Å; F353-A362 VanDerWaalsContact CE1-CB 3.46Å; F353-A362 HydrophobicContact CZ-CB 4.16Å; A362-V368 CarbonylContact O-C 3.59Å; A362-Q369 HydrophobicContact CB-CB 4.13Å; A362-Q369 HydrophobicContact CB-CG 4.08Å; A362-Q369 WeakPolarHBondContact O-CB 3.37Å; A362-Q369 WeakPolarHBondContact O-CG 3.38Å; A362-Q369 PolarHBondContact O-N 2.87Å; A362-Y372 HydrophobicContact CB-CD1 4.25Å; A362-Y372 HydrophobicContact CB-CD2 3.83Å; A362-Y372 HydrophobicContact CB-CE1 3.94Å; A362-Y372 HydrophobicContact CB-CE2 3.46Å; A362-Y372 VanDerWaalsContact CB-CE2 3.46Å; A362-Y372 HydrophobicContact CB-CG 4.2Å
363	I	91.7	Very high	90.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	142.5	179.5	65.9	171.2	0	0	0	109.8	W333 L336 L351 V352 I354 E367 V368	W333-I363 HydrophobicContact CD2-CD1 4.17Å; W333-I363 VanDerWaalsContact CE2-CD1 3.44Å; W333-I363 HydrophobicContact CH2-CD1 4.21Å; W333-I363 HydrophobicContact CZ2-CD1 3.48Å; W333-I363 VanDerWaalsContact CZ2-CD1 3.48Å; L336-I363 HydrophobicContact CD1-CG2 4.27Å; L351-I363 CarbonylContact C-O 3.56Å; L351-I363 VanDerWaalsContact CA-O 3.25Å; L351-I363 WeakPolarHBondContact CA-O 3.39Å; L351-I363 WeakPolarHBondContact CD2-O 3.36Å; V352-I363 HydrophobicContact CB-CD1 3.81Å; V352-I363 HydrophobicContact CB-CG1 3.52Å; V352-I363 HydrophobicContact CG1-CD1 4.01Å; V352-I363 HydrophobicContact CG1-CG1 4.11Å; V352-I363 PolarHBondContact N-O 3.46Å; V352-I363 VanDerWaalsContact O-CG1 3.29Å; V352-I363 WeakPolarHBondContact O-CG1 3.15Å; V352-I363 PolarHBondContact O-N 2.64Å; I354-I363 HydrophobicContact CD1-CD1 4.49Å; I354-I363 HydrophobicContact CG1-CD1 4.28Å; I363-E367 CarbonylContact C-O 3.56Å; I363-E367 WeakPolarHBondContact CA-O 3.22Å; I363-V368 HydrophobicContact CG2-CG2 3.94Å
364	R	86.9	Confident	90.1	Very high	107 Å²	107	40.3 Å²	40.3	40%	0.404	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	112.7	169.9	-179.5	174.3	-70.8	166.9	-2.8	107.6	K349 D350 L351 N366 E367	K349-R364 PolarHBondContact O-NH2 3.18Å; K349-R364 VanDerWaalsContact O-NH2 3.1Å; D350-R364 WeakPolarHBondContact O-CG 3.35Å; D350-R364 PolarHBondContact O-NE 3.35Å; L351-R364 HydrophobicContact CD2-CB 3.85Å; R364-N366 PolarHBondContact O-N 3.24Å; R364-E367 PolarHBondContact N-O 3.42Å; R364-E367 PolarHBondContact O-N 3.24Å
365	G	80.4	Confident	90.1	Very high	5 Å²	5	47.8 Å²	47.8	5%	0.052	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	-123.7	-166.9	0	0	0	0	0	110.1	W333	W333-G365 PolarHBondContact NE1-O 3.12Å
366	N	70.4	Confident	90.1	Very high	25 Å²	25	47.8 Å²	47.8	13%	0.134	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	1.4	179.3	-64	-3.8	0	0	0	113.6	F332 W333 R364	F332-N366 WeakPolarHBondContact CD1-OD1 3.26Å; F332-N366 VanDerWaalsContact O-O 3.11Å; W333-N366 VanDerWaalsContact CD1-O 3.26Å; R364-N366 PolarHBondContact O-N 3.24Å
367	E	75.6	Confident	90.1	Very high	88 Å²	88	47.5 Å²	47.5	41%	0.411	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	119.6	-173.8	-62.2	-174.3	172	0	0	112.5	K46 I363 R364 Q369	K46-E367 IonicContact NZ-OE1 2.77Å; K46-E367 PolarHBondContact NZ-OE1 3.24Å; K46-E367 IonicContact NZ-OE2 3.48Å; I363-E367 CarbonylContact C-O 3.56Å; I363-E367 WeakPolarHBondContact CA-O 3.22Å; R364-E367 PolarHBondContact N-O 3.42Å; R364-E367 PolarHBondContact O-N 3.24Å; E367-Q369 PolarHBondContact O-N 2.96Å; E367-Q369 PolarHBondContact O-NE2 3.41Å
368	V	81.9	Confident	90.1	Very high	40 Å²	40	50.6 Å²	50.6	24%	0.242	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	120.8	163.5	177.8	0	0	0	0	108.9	S335 L336 W361 A362 I363	S335-V368 WeakPolarHBondContact OG-CG2 3.42Å; L336-V368 HydrophobicContact CD2-CG2 4.31Å; L336-V368 HydrophobicContact CG-CG2 4.26Å; W361-V368 HydrophobicContact CB-CG1 4.45Å; W361-V368 HydrophobicContact CG-CG1 4.49Å; A362-V368 CarbonylContact O-C 3.59Å; I363-V368 HydrophobicContact CG2-CG2 3.94Å
369	Q	90.6	Very high	90.1	Very high	41 Å²	41	48.5 Å²	48.5	19%	0.192	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-67.7	148	-177.9	-59.4	-59.3	-79.9	0	0	111.3	L351 A362 E367 Y372	L351-Q369 HydrophobicContact CD2-CG 3.49Å; L351-Q369 VanDerWaalsContact CD2-CG 3.49Å; A362-Q369 HydrophobicContact CB-CB 4.13Å; A362-Q369 HydrophobicContact CB-CG 4.08Å; A362-Q369 WeakPolarHBondContact O-CB 3.37Å; A362-Q369 WeakPolarHBondContact O-CG 3.38Å; A362-Q369 PolarHBondContact O-N 2.87Å; E367-Q369 PolarHBondContact O-N 2.96Å; E367-Q369 PolarHBondContact O-NE2 3.41Å; Q369-Y372 HydrophobicContact CB-CD2 3.88Å; Q369-Y372 HydrophobicContact CB-CE2 4.11Å; Q369-Y372 WeakPolarHBondContact O-CB 3.16Å; Q369-Y372 WeakPolarHBondContact O-CD2 3.16Å; Q369-Y372 PolarHBondContact O-N 3.22Å
370	A	81.1	Confident	90	Very high	43 Å²	43	47.4 Å²	47.4	36%	0.355	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	154.8	-177.4	0	0	0	0	0	113.6	D47 Y372	D47-A370 HydrophobicContact CB-CB 3.45Å; D47-A370 VanDerWaalsContact CB-CB 3.45Å; D47-A370 WeakPolarHBondContact OD2-CB 3.44Å; A370-Y372 WeakPolarHBondContact O-CD2 3.13Å; A370-Y372 PolarHBondContact O-N 3.18Å
371	G	85.4	Confident	90	Very high	56 Å²	56	47.6 Å²	47.6	58%	0.577	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	7.3	-171.4	0	0	0	0	0	114.1	K374	G371-K374 WeakPolarHBondContact O-CE 3.25Å; G371-K374 WeakPolarHBondContact O-CG 3.42Å
372	Y	90.6	Very high	89.9	Confident	54 Å²	54	49 Å²	49	21%	0.212	27%	0.271	C	S	.	.			trans	-106.6	153.8	169.5	-67.6	-85.9	0	0	0	110.8	F353 F360 A362 Q369 A370 K374	F353-Y372 HydrophobicContact CE1-CE1 4.35Å; F360-Y372 HydrophobicContact CD2-CD1 4.34Å; F360-Y372 AromaticContact CD2-CE1 3.92Å; F360-Y372 HydrophobicContact CD2-CE1 3.92Å; F360-Y372 HydrophobicContact CE2-CD1 4.26Å; F360-Y372 AromaticContact CE2-CE1 3.46Å; F360-Y372 HydrophobicContact CE2-CE1 3.46Å; F360-Y372 VanDerWaalsContact CE2-CE1 3.46Å; F360-Y372 AromaticContact CZ-CE1 3.92Å; F360-Y372 HydrophobicContact CZ-CE1 3.92Å; F360-Y372 WeakPolarHBondContact O-CD1 3.4Å; A362-Y372 HydrophobicContact CB-CD1 4.25Å; A362-Y372 HydrophobicContact CB-CD2 3.83Å; A362-Y372 HydrophobicContact CB-CE1 3.94Å; A362-Y372 HydrophobicContact CB-CE2 3.46Å; A362-Y372 VanDerWaalsContact CB-CE2 3.46Å; A362-Y372 HydrophobicContact CB-CG 4.2Å; Q369-Y372 HydrophobicContact CB-CD2 3.88Å; Q369-Y372 HydrophobicContact CB-CE2 4.11Å; Q369-Y372 WeakPolarHBondContact O-CB 3.16Å; Q369-Y372 WeakPolarHBondContact O-CD2 3.16Å; Q369-Y372 PolarHBondContact O-N 3.22Å; A370-Y372 WeakPolarHBondContact O-CD2 3.13Å; A370-Y372 PolarHBondContact O-N 3.18Å; Y372-K374 HydrophobicContact CD1-CB 4.08Å; Y372-K374 HydrophobicContact CD1-CD 4.07Å; Y372-K374 HydrophobicContact CD1-CG 3.78Å; Y372-K374 HydrophobicContact CE1-CB 4.19Å; Y372-K374 HydrophobicContact CE1-CD 3.67Å; Y372-K374 HydrophobicContact CE1-CG 3.9Å; Y372-K374 HydrophobicContact CG-CG 4.39Å
373	P	95.1	Very high	89.8	Confident	54 Å²	54	54.6 Å²	54.6	35%	0.351	31%	0.308	S	S	.	.	S	Bend	cis	-69.5	143	1.2	23.7	-30.1	0	0	0	114.1	Q359 F360 W361	Q359-P373 HydrophobicContact CB-CB 4.05Å; Q359-P373 HydrophobicContact CG-CB 4.35Å; F360-P373 CarbonylContact O-C 3.48Å; F360-P373 WeakPolarHBondContact O-CA 3.47Å; W361-P373 HydrophobicContact CD2-CB 3.89Å; W361-P373 VanDerWaalsContact CE2-CB 3.5Å; W361-P373 HydrophobicContact CE3-CB 4.44Å; W361-P373 HydrophobicContact CG-CB 4.28Å; W361-P373 HydrophobicContact CH2-CB 4.21Å; W361-P373 HydrophobicContact CZ2-CB 3.69Å; W361-P373 HydrophobicContact CZ2-CG 3.81Å
374	K	95.4	Very high	90	Very high	77 Å²	77	60.1 Å²	60.1	34%	0.335	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	159.9	170	-68.3	-177.5	-172.7	167	0	109.9	Q359 F360 G371 Y372	Q359-K374 CarbonylContact C-O 3.6Å; Q359-K374 VanDerWaalsContact CA-O 3.23Å; Q359-K374 WeakPolarHBondContact CA-O 3.47Å; F360-K374 HydrophobicContact CD1-CB 4.05Å; F360-K374 WeakPolarHBondContact CD1-O 3.4Å; F360-K374 HydrophobicContact CE1-CB 3.44Å; F360-K374 VanDerWaalsContact CE1-CB 3.44Å; F360-K374 HydrophobicContact CZ-CB 3.79Å; F360-K374 HydrophobicContact CZ-CD 4.43Å; F360-K374 PolarHBondContact N-O 3.26Å; F360-K374 PolarHBondContact O-N 3.27Å; G371-K374 WeakPolarHBondContact O-CE 3.25Å; G371-K374 WeakPolarHBondContact O-CG 3.42Å; Y372-K374 HydrophobicContact CD1-CB 4.08Å; Y372-K374 HydrophobicContact CD1-CD 4.07Å; Y372-K374 HydrophobicContact CD1-CG 3.78Å; Y372-K374 HydrophobicContact CE1-CB 4.19Å; Y372-K374 HydrophobicContact CE1-CD 3.67Å; Y372-K374 HydrophobicContact CE1-CG 3.9Å; Y372-K374 HydrophobicContact CG-CG 4.39Å
375	R	97.1	Very high	90.5	Very high	158 Å²	158	55.5 Å²	55.5	60%	0.596	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.1	138.3	174	-67.6	-173	178	-170.9	-0.6	110.1	N358 F360 H377 T378	N358-R375 CarbonylContact O-C 3.42Å; N358-R375 VanDerWaalsContact O-CA 3.27Å; N358-R375 WeakPolarHBondContact O-CA 3.29Å; F360-R375 WeakPolarHBondContact CE1-O 3.11Å; R375-H377 PolarHBondContact O-N 2.87Å; R375-T378 WeakPolarHBondContact O-CB 3.35Å; R375-T378 WeakPolarHBondContact O-CG2 2.97Å; R375-T378 PolarHBondContact O-N 2.75Å; R375-T378 PolarHBondContact O-OG1 2.57Å
376	I	97.1	Very high	91.2	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-55.4	-27.9	179	62	176.5	0	0	0	112.9	F355 N358 F360 T378 L379 F381 V385 I388	F355-I376 HydrophobicContact CD1-CG2 3.8Å; F355-I376 HydrophobicContact CE1-CG2 4.04Å; N358-I376 HydrophobicContact CB-CG1 4.44Å; N358-I376 PolarHBondContact O-N 2.72Å; F360-I376 HydrophobicContact CD1-CG2 4.13Å; I376-T378 PolarHBondContact O-N 2.89Å; I376-T378 VanDerWaalsContact O-N 3.13Å; I376-L379 VanDerWaalsContact O-CB 3.3Å; I376-L379 WeakPolarHBondContact O-CB 3.22Å; I376-L379 PolarHBondContact O-N 3.48Å; I376-F381 HydrophobicContact CB-CD2 4.23Å; I376-F381 WeakPolarHBondContact O-CD2 3.32Å; I376-V385 HydrophobicContact CD1-CG1 3.97Å; I376-I388 HydrophobicContact CG2-CD1 4.37Å
377	H	95.5	Very high	92.4	Very high	63 Å²	63	68.5 Å²	68.5	29%	0.292	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-60.8	-22.1	175.3	-50.9	-55.9	0	0	0	113.8	R375 L379 G380 F381 P382 V385	R375-H377 PolarHBondContact O-N 2.87Å; H377-L379 PolarHBondContact O-N 3.29Å; H377-G380 PolarHBondContact O-N 3.16Å; H377-F381 PolarHBondContact ND1-O 3.13Å; H377-P382 PolarHBondContact ND1-O 3.38Å; H377-V385 PolarHBondContact CE1-O 3.36Å; H377-V385 VanDerWaalsContact CE1-O 3.3Å
378	T	95.6	Very high	93.5	Very high	93 Å²	93	64.3 Å²	64.3	57%	0.571	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-68.4	-17.5	173.3	67.9	0	0	0	0	112.6	R375 I376 G380	R375-T378 WeakPolarHBondContact O-CB 3.35Å; R375-T378 WeakPolarHBondContact O-CG2 2.97Å; R375-T378 PolarHBondContact O-N 2.75Å; R375-T378 PolarHBondContact O-OG1 2.57Å; I376-T378 PolarHBondContact O-N 2.89Å; I376-T378 VanDerWaalsContact O-N 3.13Å; T378-G380 VanDerWaalsContact C-N 3.28Å
379	L	94.8	Very high	94.2	Very high	18 Å²	18	63.6 Å²	63.6	9%	0.094	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-84	-3.8	171.9	-58	171.7	0	0	0	112.5	F355 F360 I376 H377 F381 F402 F411	F355-L379 HydrophobicContact CE1-CD1 3.84Å; F355-L379 HydrophobicContact CZ-CD1 4.06Å; F360-L379 HydrophobicContact CD1-CD1 4.3Å; F360-L379 HydrophobicContact CD2-CD1 4.47Å; F360-L379 HydrophobicContact CE1-CD1 3.96Å; F360-L379 HydrophobicContact CE1-CD2 4.4Å; F360-L379 HydrophobicContact CE1-CG 3.91Å; F360-L379 HydrophobicContact CE2-CD1 4.11Å; F360-L379 HydrophobicContact CE2-CD2 4.11Å; F360-L379 HydrophobicContact CE2-CG 4.33Å; F360-L379 HydrophobicContact CZ-CD1 3.87Å; F360-L379 HydrophobicContact CZ-CD2 3.69Å; F360-L379 HydrophobicContact CZ-CG 3.7Å; I376-L379 VanDerWaalsContact O-CB 3.3Å; I376-L379 WeakPolarHBondContact O-CB 3.22Å; I376-L379 PolarHBondContact O-N 3.48Å; H377-L379 PolarHBondContact O-N 3.29Å; L379-F381 HydrophobicContact CB-CD2 4.03Å; L379-F381 HydrophobicContact CB-CE2 4.15Å; L379-F381 HydrophobicContact CD1-CE2 4.22Å; L379-F402 HydrophobicContact CD1-CZ 4.21Å; L379-F411 HydrophobicContact CB-CE2 4.32Å; L379-F411 HydrophobicContact CD2-CE2 4.32Å; L379-F411 HydrophobicContact CD2-CZ 4.29Å; L379-F411 WeakPolarHBondContact O-CE2 3.3Å
380	G	94.8	Very high	94.6	Very high	51 Å²	51	61.6 Å²	61.6	53%	0.526	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	97	10.1	-179.1	0	0	0	0	0	115	H377 T378	H377-G380 PolarHBondContact O-N 3.16Å; T378-G380 VanDerWaalsContact C-N 3.28Å
381	F	96.8	Very high	95.4	Very high	6 Å²	6	59.7 Å²	59.7	3%	0.026	32%	0.323	C	S	.	.			trans	-68.5	138.7	173	-74.6	-78.4	0	0	0	112.2	I376 H377 L379 V385 I388 F402 W409 M418	I376-F381 HydrophobicContact CB-CD2 4.23Å; I376-F381 WeakPolarHBondContact O-CD2 3.32Å; H377-F381 PolarHBondContact ND1-O 3.13Å; L379-F381 HydrophobicContact CB-CD2 4.03Å; L379-F381 HydrophobicContact CB-CE2 4.15Å; L379-F381 HydrophobicContact CD1-CE2 4.22Å; F381-V385 HydrophobicContact CB-CB 4.35Å; F381-V385 HydrophobicContact CB-CG1 4.46Å; F381-V385 HydrophobicContact CD1-CB 4.37Å; F381-V385 HydrophobicContact CD1-CG1 4.01Å; F381-V385 HydrophobicContact CD1-CG2 4.32Å; F381-V385 HydrophobicContact CG-CG1 4.38Å; F381-I388 HydrophobicContact CD2-CD1 4.38Å; F381-I388 HydrophobicContact CE2-CD1 3.58Å; F381-I388 HydrophobicContact CZ-CD1 3.7Å; F381-I388 HydrophobicContact CZ-CG1 4.45Å; F381-F402 HydrophobicContact CE1-CB 4.25Å; F381-F402 HydrophobicContact CE2-CD2 4.09Å; F381-F402 HydrophobicContact CE2-CE2 4.34Å; F381-F402 HydrophobicContact CE2-CG 4.25Å; F381-F402 HydrophobicContact CZ-CB 3.6Å; F381-F402 HydrophobicContact CZ-CD1 4.3Å; F381-F402 AromaticContact CZ-CD2 3.64Å; F381-F402 HydrophobicContact CZ-CD2 3.64Å; F381-F402 HydrophobicContact CZ-CE2 4.34Å; F381-F402 AromaticContact CZ-CG 3.61Å; F381-F402 HydrophobicContact CZ-CG 3.61Å; F381-W409 HydrophobicContact CD1-CD2 4.21Å; F381-W409 HydrophobicContact CD1-CG 4.2Å; F381-W409 HydrophobicContact CE1-CB 3.97Å; F381-W409 AromaticContact CE1-CD1 3.93Å; F381-W409 AromaticContact CE1-CD2 3.68Å; F381-W409 HydrophobicContact CE1-CD2 3.68Å; F381-W409 HydrophobicContact CE1-CE3 4.17Å; F381-W409 AromaticContact CE1-CG 3.59Å; F381-W409 HydrophobicContact CE1-CG 3.59Å; F381-W409 HydrophobicContact CZ-CB 4.37Å; F381-W409 HydrophobicContact CZ-CG 4.44Å; F381-M418 HydrophobicContact CD1-CE 4.09Å; F381-M418 HydrophobicContact CD2-CE 4.02Å; F381-M418 HydrophobicContact CE1-CE 3.83Å; F381-M418 HydrophobicContact CE2-CE 3.76Å; F381-M418 HydrophobicContact CG-CE 4.18Å; F381-M418 HydrophobicContact CZ-CE 3.65Å
382	P	95.4	Very high	95.9	Very high	51 Å²	51	57.2 Å²	57.2	33%	0.331	30%	0.297	S	S	.	.			trans	-65.9	156.1	176.2	29.2	-34.5	0	0	0	111.4	H377 T384 V385	H377-P382 PolarHBondContact ND1-O 3.38Å; P382-T384 PolarHBondContact O-N 2.83Å; P382-V385 HydrophobicContact CG-CG2 3.95Å; P382-V385 PolarHBondContact O-N 2.95Å
383	P	93.9	Very high	96.2	Very high	117 Å²	117	55.3 Å²	55.3	76%	0.76	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-16.3	179.2	-25.4	34.9	0	0	0	115.2	V385	P383-V385 VanDerWaalsContact C-N 3.34Å
384	T	95.3	Very high	96	Very high	116 Å²	116	53.1 Å²	53.1	71%	0.712	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-27.4	176.7	51.5	0	0	0	0	112.8	P382 R386	P382-T384 PolarHBondContact O-N 2.83Å; T384-R386 PolarHBondContact O-N 3.49Å
385	V	96.8	Very high	95.5	Very high	10 Å²	10	52 Å²	52	6%	0.061	27%	0.272	C	S	.	.			trans	-80.7	118.8	178.1	172.9	0	0	0	0	108.7	I376 H377 F381 P382 P383 K387 V404 W409	I376-V385 HydrophobicContact CD1-CG1 3.97Å; H377-V385 PolarHBondContact CE1-O 3.36Å; H377-V385 VanDerWaalsContact CE1-O 3.3Å; F381-V385 HydrophobicContact CB-CB 4.35Å; F381-V385 HydrophobicContact CB-CG1 4.46Å; F381-V385 HydrophobicContact CD1-CB 4.37Å; F381-V385 HydrophobicContact CD1-CG1 4.01Å; F381-V385 HydrophobicContact CD1-CG2 4.32Å; F381-V385 HydrophobicContact CG-CG1 4.38Å; P382-V385 HydrophobicContact CG-CG2 3.95Å; P382-V385 PolarHBondContact O-N 2.95Å; P383-V385 VanDerWaalsContact C-N 3.34Å; V385-K387 WeakPolarHBondContact CG1-O 3.5Å; V385-V404 HydrophobicContact CG1-CG1 4.16Å; V385-V404 HydrophobicContact CG1-CG2 4.05Å; V385-W409 HydrophobicContact CG2-CH2 4.19Å; V385-W409 HydrophobicContact CG2-CZ2 3.83Å
386	R	95.2	Very high	94.9	Very high	208 Å²	208	52.9 Å²	52.9	79%	0.785	28%	0.283	S	S	*	.			trans	-103.3	-24.1	-175.1	-64.6	-173.2	178.5	-168.5	0.8	114.3	G357 N358 T384	G357-R386 CarbonylContact C-O 3.46Å; N358-R386 WeakPolarHBondContact CA-O 3.29Å; N358-R386 PolarHBondContact N-O 2.88Å; N358-R386 VanDerWaalsContact N-O 3.12Å; T384-R386 PolarHBondContact O-N 3.49Å
387	K	96.3	Very high	94.6	Very high	94 Å²	94	58.1 Å²	58.1	41%	0.409	31%	0.305	S	S	.	.			trans	-152.3	168.3	175.6	65.8	173.1	179.8	114.9	0	110.3	G357 V385 D389 V404	G357-K387 VanDerWaalsContact O-CA 3.31Å; G357-K387 WeakPolarHBondContact O-CA 3.38Å; V385-K387 WeakPolarHBondContact CG1-O 3.5Å; K387-D389 WeakPolarHBondContact CE-OD1 3.47Å; K387-D389 IonicContact NZ-OD1 3.18Å; K387-D389 PolarHBondContact NZ-OD1 3.3Å; K387-V404 WeakPolarHBondContact O-CG1 3.37Å
388	I	97.9	Very high	94.4	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.304	C	S	.	.			trans	-113.3	131.1	173.1	-55.4	-169.6	0	0	0	106.9	D341 A342 F355 I376 F381 A390 F402	D341-I388 CarbonylContact C-O 3.57Å; D341-I388 WeakPolarHBondContact CB-O 3.17Å; A342-I388 HydrophobicContact CB-CB 4.41Å; A342-I388 HydrophobicContact CB-CG2 4.05Å; F355-I388 HydrophobicContact CD1-CB 4.36Å; F355-I388 HydrophobicContact CD1-CD1 3.48Å; F355-I388 VanDerWaalsContact CD1-CD1 3.48Å; F355-I388 HydrophobicContact CD1-CG1 4.06Å; F355-I388 HydrophobicContact CE1-CD1 3.48Å; F355-I388 VanDerWaalsContact CE1-CD1 3.48Å; F355-I388 HydrophobicContact CG-CD1 4.32Å; F355-I388 HydrophobicContact CZ-CD1 4.32Å; I376-I388 HydrophobicContact CG2-CD1 4.37Å; F381-I388 HydrophobicContact CD2-CD1 4.38Å; F381-I388 HydrophobicContact CE2-CD1 3.58Å; F381-I388 HydrophobicContact CZ-CD1 3.7Å; F381-I388 HydrophobicContact CZ-CG1 4.45Å; I388-A390 WeakPolarHBondContact CG2-O 3.45Å; I388-F402 HydrophobicContact CD1-CB 4.46Å; I388-F402 HydrophobicContact CD1-CD1 3.61Å; I388-F402 HydrophobicContact CD1-CE1 4Å; I388-F402 HydrophobicContact CD1-CG 4.18Å; I388-F402 HydrophobicContact CG2-CB 4.22Å; I388-F402 HydrophobicContact CG2-CD1 3.99Å
389	D	97.5	Very high	94.4	Very high	25 Å²	25	55.3 Å²	55.3	13%	0.134	28%	0.284	C	S	.	.	S	Bend	trans	-89.3	-29.3	-174.5	-62.4	-38.3	0	0	0	112.7	D341 K387 F403 V404 E405 I437	D341-D389 CarbonylContact O-C 3.5Å; D341-D389 VanDerWaalsContact O-C 3.28Å; K387-D389 WeakPolarHBondContact CE-OD1 3.47Å; K387-D389 IonicContact NZ-OD1 3.18Å; K387-D389 PolarHBondContact NZ-OD1 3.3Å; D389-F403 PolarHBondContact N-O 3.1Å; D389-V404 WeakPolarHBondContact OD2-CA 3.43Å; D389-E405 PolarHBondContact OD2-N 2.87Å; D389-I437 WeakPolarHBondContact CB-O 3.47Å
390	A	98.1	Very high	94.5	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	156.3	173.1	0	0	0	0	0	110.6	I388 F403 I437 V440	I388-A390 WeakPolarHBondContact CG2-O 3.45Å; A390-F403 HydrophobicContact CB-CB 4.25Å; A390-F403 HydrophobicContact CB-CD2 4.28Å; A390-F403 PolarHBondContact N-O 2.93Å; A390-F403 PolarHBondContact O-N 2.82Å; A390-I437 HydrophobicContact CB-CB 4.23Å; A390-I437 HydrophobicContact CB-CG2 3.54Å; A390-V440 HydrophobicContact CB-CB 4.41Å; A390-V440 HydrophobicContact CB-CG1 3.76Å
391	A	98.2	Very high	94.7	Very high	2 Å²	2	52.7 Å²	52.7	2%	0.017	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	149.2	177	0	0	0	0	0	111.7	A342 Y344 Y401 F402	A342-A391 HydrophobicContact CB-CB 4.13Å; Y344-A391 HydrophobicContact CD1-CB 3.73Å; Y344-A391 HydrophobicContact CG-CB 4.28Å; A391-Y401 VanDerWaalsContact CA-O 3.23Å; A391-Y401 WeakPolarHBondContact CA-O 3.47Å; A391-F402 HydrophobicContact CB-CD1 3.65Å; A391-F402 HydrophobicContact CB-CE1 3.97Å
392	F	97.1	Very high	94.7	Very high	5 Å²	5	52.4 Å²	52.4	2%	0.022	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	158.6	164.9	75.7	-81.3	0	0	0	110.6	D394 T400 Y401 F403 V440 E442 F447	F392-D394 HydrophobicContact CE2-CB 4.33Å; F392-T400 WeakPolarHBondContact O-CA 3.32Å; F392-T400 WeakPolarHBondContact O-CG2 3.23Å; F392-Y401 HydrophobicContact CE1-CD2 4.07Å; F392-Y401 AromaticContact CE1-CG 3.91Å; F392-Y401 HydrophobicContact CE1-CG 3.91Å; F392-Y401 AromaticContact CE2-CD2 3.91Å; F392-Y401 HydrophobicContact CE2-CD2 3.91Å; F392-Y401 HydrophobicContact CE2-CE2 4.38Å; F392-Y401 AromaticContact CZ-CD2 3.62Å; F392-Y401 HydrophobicContact CZ-CD2 3.62Å; F392-Y401 HydrophobicContact CZ-CE2 4.2Å; F392-Y401 AromaticContact CZ-CG 3.86Å; F392-Y401 HydrophobicContact CZ-CG 3.86Å; F392-Y401 PolarHBondContact N-O 3.48Å; F392-Y401 VanDerWaalsContact N-O 3.11Å; F392-Y401 PolarHBondContact O-N 3.48Å; F392-F403 AromaticContact CD1-CE2 3.88Å; F392-F403 HydrophobicContact CD1-CE2 3.88Å; F392-F403 AromaticContact CE1-CE2 3.75Å; F392-F403 HydrophobicContact CE1-CE2 3.75Å; F392-F403 AromaticContact CE1-CZ 3.99Å; F392-F403 HydrophobicContact CE1-CZ 3.99Å; F392-V440 HydrophobicContact CB-CG1 4.18Å; F392-V440 HydrophobicContact CD1-CB 4.39Å; F392-V440 HydrophobicContact CD1-CG1 3.65Å; F392-V440 HydrophobicContact CD1-CG2 3.79Å; F392-V440 HydrophobicContact CE1-CG2 4.22Å; F392-V440 HydrophobicContact CG-CG1 4.36Å; F392-V440 HydrophobicContact CG-CG2 4.44Å; F392-E442 HydrophobicContact CD2-CB 3.73Å; F392-E442 HydrophobicContact CE2-CB 4.13Å; F392-F447 HydrophobicContact CE1-CD2 4.44Å; F392-F447 AromaticContact CE2-CD1 3.77Å; F392-F447 HydrophobicContact CE2-CD1 3.77Å; F392-F447 HydrophobicContact CE2-CD2 4.49Å; F392-F447 AromaticContact CE2-CE1 3.51Å; F392-F447 HydrophobicContact CE2-CE1 3.51Å; F392-F447 HydrophobicContact CE2-CE2 4.24Å; F392-F447 HydrophobicContact CE2-CG 4.28Å; F392-F447 AromaticContact CE2-CZ 3.75Å; F392-F447 HydrophobicContact CE2-CZ 3.75Å; F392-F447 AromaticContact CZ-CD1 3.89Å; F392-F447 HydrophobicContact CZ-CD1 3.89Å; F392-F447 AromaticContact CZ-CD2 3.81Å; F392-F447 HydrophobicContact CZ-CD2 3.81Å; F392-F447 AromaticContact CZ-CE1 3.77Å; F392-F447 HydrophobicContact CZ-CE1 3.77Å; F392-F447 AromaticContact CZ-CE2 3.65Å; F392-F447 HydrophobicContact CZ-CE2 3.65Å; F392-F447 AromaticContact CZ-CG 3.93Å; F392-F447 HydrophobicContact CZ-CG 3.93Å; F392-F447 AromaticContact CZ-CZ 3.64Å; F392-F447 HydrophobicContact CZ-CZ 3.64Å
393	S	95.5	Very high	94.9	Very high	13 Å²	13	50 Å²	50	9%	0.091	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	126.4	171.8	-152.5	0	0	0	0	111	E345 K395 T400	E345-S393 WeakPolarHBondContact O-CB 3.25Å; S393-K395 PolarHBondContact O-N 3.47Å; S393-T400 PolarHBondContact OG-OG1 3.13Å
394	D	91.1	Very high	95	Very high	8 Å²	8	45 Å²	45	4%	0.043	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	108.1	171.5	-178.6	-40.2	0	0	0	108.5	F392 E396 K397 K398 K399 Y401	F392-D394 HydrophobicContact CE2-CB 4.33Å; D394-E396 VanDerWaalsContact C-N 3.26Å; D394-E396 PolarHBondContact O-N 3.13Å; D394-E396 PolarHBondContact OD1-N 3.1Å; D394-E396 VanDerWaalsContact OD1-N 3.11Å; D394-K397 HydrophobicContact CB-CB 4.25Å; D394-K397 WeakPolarHBondContact OD1-CB 3.24Å; D394-K397 WeakPolarHBondContact OD1-CG 3.21Å; D394-K397 PolarHBondContact OD1-N 3.23Å; D394-K397 VanDerWaalsContact OD2-CD 3.29Å; D394-K397 WeakPolarHBondContact OD2-CD 3.3Å; D394-K397 WeakPolarHBondContact OD2-CG 3.43Å; D394-K397 IonicContact OD2-NZ 2.94Å; D394-K397 PolarHBondContact OD2-NZ 3.04Å; D394-K398 WeakPolarHBondContact O-CA 3.36Å; D394-K398 PolarHBondContact O-N 3.04Å; D394-K399 PolarHBondContact N-O 3.26Å; D394-K399 PolarHBondContact O-N 3.3Å; D394-Y401 HydrophobicContact CB-CE2 3.9Å
395	K	85	Confident	95	Very high	54 Å²	54	46 Å²	46	24%	0.235	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-32.2	-173.7	-65.2	170.7	-172.6	162.6	0	112.3	T347 S393 K398	T347-K395 HydrophobicContact CG2-CD 4.01Å; T347-K395 HydrophobicContact CG2-CG 4.12Å; S393-K395 PolarHBondContact O-N 3.47Å; K395-K398 VanDerWaalsContact O-CD 3.27Å; K395-K398 WeakPolarHBondContact O-CD 3.38Å; K395-K398 WeakPolarHBondContact O-CE 3.46Å; K395-K398 PolarHBondContact O-NZ 2.85Å
396	E	85.3	Confident	94.9	Very high	177 Å²	177	48.2 Å²	48.2	83%	0.827	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-48.7	-178.2	-62.2	-168.5	158.3	0	0	111.3	D394 K398	D394-E396 VanDerWaalsContact C-N 3.26Å; D394-E396 PolarHBondContact O-N 3.13Å; D394-E396 PolarHBondContact OD1-N 3.1Å; D394-E396 VanDerWaalsContact OD1-N 3.11Å; E396-K398 VanDerWaalsContact C-N 3.26Å; E396-K398 PolarHBondContact O-N 3.49Å
397	K	90.1	Very high	95	Very high	109 Å²	109	42.1 Å²	42.1	47%	0.474	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-16.2	-177.8	-58.8	-169.9	-169	95.2	0	112.7	D394 K399	D394-K397 HydrophobicContact CB-CB 4.25Å; D394-K397 WeakPolarHBondContact OD1-CB 3.24Å; D394-K397 WeakPolarHBondContact OD1-CG 3.21Å; D394-K397 PolarHBondContact OD1-N 3.23Å; D394-K397 VanDerWaalsContact OD2-CD 3.29Å; D394-K397 WeakPolarHBondContact OD2-CD 3.3Å; D394-K397 WeakPolarHBondContact OD2-CG 3.43Å; D394-K397 IonicContact OD2-NZ 2.94Å; D394-K397 PolarHBondContact OD2-NZ 3.04Å; K397-K399 VanDerWaalsContact C-N 3.26Å; K397-K399 HydrophobicContact CB-CB 4.37Å; K397-K399 HydrophobicContact CB-CG 3.91Å; K397-K399 WeakPolarHBondContact O-CG 3.36Å; K397-K399 PolarHBondContact O-N 3.23Å
398	K	91.8	Very high	95.1	Very high	61 Å²	61	37.8 Å²	37.8	27%	0.265	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	44.6	-172.1	-55	-59.9	-177.5	-160.7	0	111.1	D394 K395 E396 E413 K414	D394-K398 WeakPolarHBondContact O-CA 3.36Å; D394-K398 PolarHBondContact O-N 3.04Å; K395-K398 VanDerWaalsContact O-CD 3.27Å; K395-K398 WeakPolarHBondContact O-CD 3.38Å; K395-K398 WeakPolarHBondContact O-CE 3.46Å; K395-K398 PolarHBondContact O-NZ 2.85Å; E396-K398 VanDerWaalsContact C-N 3.26Å; E396-K398 PolarHBondContact O-N 3.49Å; K398-E413 PolarHBondContact O-N 3.29Å; K398-K414 HydrophobicContact CB-CG 4.42Å
399	K	95.2	Very high	95.1	Very high	36 Å²	36	38.6 Å²	38.6	16%	0.157	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	135.8	179.8	-57.7	-61.5	172.1	165.1	0	109.3	D394 K397 Y401 R410 F411 D412 E419	D394-K399 PolarHBondContact N-O 3.26Å; D394-K399 PolarHBondContact O-N 3.3Å; K397-K399 VanDerWaalsContact C-N 3.26Å; K397-K399 HydrophobicContact CB-CB 4.37Å; K397-K399 HydrophobicContact CB-CG 3.91Å; K397-K399 WeakPolarHBondContact O-CG 3.36Å; K397-K399 PolarHBondContact O-N 3.23Å; K399-Y401 HydrophobicContact CB-CE2 4.01Å; K399-R410 HydrophobicContact CB-CG 3.99Å; K399-R410 HydrophobicContact CG-CG 4.47Å; K399-F411 WeakPolarHBondContact CA-O 3.4Å; K399-D412 HydrophobicContact CD-CB 4.36Å; K399-D412 VanDerWaalsContact NZ-CG 3.26Å; K399-D412 IonicContact NZ-OD2 2.63Å; K399-D412 PolarHBondContact NZ-OD2 3.15Å; K399-E419 WeakPolarHBondContact CE-OE1 3.18Å; K399-E419 IonicContact NZ-OE1 2.65Å; K399-E419 PolarHBondContact NZ-OE1 3.47Å
400	T	97.6	Very high	95.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	133.9	174.2	-61.2	0	0	0	0	109.3	Y344 F392 S393 F402 R410 F411 E413	Y344-T400 HydrophobicContact CD1-CG2 4.19Å; Y344-T400 HydrophobicContact CD2-CG2 3.81Å; Y344-T400 HydrophobicContact CE1-CG2 3.88Å; Y344-T400 HydrophobicContact CE2-CG2 3.42Å; Y344-T400 VanDerWaalsContact CE2-CG2 3.42Å; Y344-T400 WeakPolarHBondContact CE2-OG1 3.39Å; Y344-T400 HydrophobicContact CG-CG2 4.16Å; Y344-T400 VanDerWaalsContact CZ-CG2 3.5Å; F392-T400 WeakPolarHBondContact O-CA 3.32Å; F392-T400 WeakPolarHBondContact O-CG2 3.23Å; S393-T400 PolarHBondContact OG-OG1 3.13Å; T400-F402 HydrophobicContact CG2-CD1 4.41Å; T400-F402 HydrophobicContact CG2-CD2 4.25Å; T400-F402 HydrophobicContact CG2-CE1 3.9Å; T400-F402 HydrophobicContact CG2-CE2 3.71Å; T400-F402 HydrophobicContact CG2-CZ 3.52Å; T400-R410 CarbonylContact O-C 3.48Å; T400-R410 WeakPolarHBondContact O-CA 3.19Å; T400-F411 PolarHBondContact N-O 3.25Å; T400-F411 PolarHBondContact O-N 3.43Å; T400-E413 WeakPolarHBondContact CB-OE1 3.47Å; T400-E413 WeakPolarHBondContact OG1-CG 3.33Å; T400-E413 PolarHBondContact OG1-OE1 2.74Å
401	Y	98.1	Very high	95.1	Very high	14 Å²	14	40.8 Å²	40.8	6%	0.055	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	129.2	178.7	-65	-103.9	0	0	0	108.2	A391 F392 D394 K399 Y408 W409 R410 F430	A391-Y401 VanDerWaalsContact CA-O 3.23Å; A391-Y401 WeakPolarHBondContact CA-O 3.47Å; F392-Y401 HydrophobicContact CE1-CD2 4.07Å; F392-Y401 AromaticContact CE1-CG 3.91Å; F392-Y401 HydrophobicContact CE1-CG 3.91Å; F392-Y401 AromaticContact CE2-CD2 3.91Å; F392-Y401 HydrophobicContact CE2-CD2 3.91Å; F392-Y401 HydrophobicContact CE2-CE2 4.38Å; F392-Y401 AromaticContact CZ-CD2 3.62Å; F392-Y401 HydrophobicContact CZ-CD2 3.62Å; F392-Y401 HydrophobicContact CZ-CE2 4.2Å; F392-Y401 AromaticContact CZ-CG 3.86Å; F392-Y401 HydrophobicContact CZ-CG 3.86Å; F392-Y401 PolarHBondContact N-O 3.48Å; F392-Y401 VanDerWaalsContact N-O 3.11Å; F392-Y401 PolarHBondContact O-N 3.48Å; D394-Y401 HydrophobicContact CB-CE2 3.9Å; K399-Y401 HydrophobicContact CB-CE2 4.01Å; Y401-Y408 AromaticContact CD1-CD2 3.82Å; Y401-Y408 HydrophobicContact CD1-CD2 3.82Å; Y401-Y408 AromaticContact CD1-CE2 3.64Å; Y401-Y408 HydrophobicContact CD1-CE2 3.64Å; Y401-Y408 AromaticContact CE1-CE2 3.92Å; Y401-Y408 HydrophobicContact CE1-CE2 3.92Å; Y401-W409 WeakPolarHBondContact CA-O 3.48Å; Y401-R410 HydrophobicContact CD1-CG 4.38Å; Y401-R410 HydrophobicContact CE1-CG 4.12Å; Y401-F430 HydrophobicContact CD1-CZ 4.12Å; Y401-F430 HydrophobicContact CE1-CZ 4.3Å
402	F	98.3	Very high	94.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	126	177.7	-64.6	-73.1	0	0	0	109.2	Y344 F355 L379 F381 I388 A391 T400 Y408 W409 F411	Y344-F402 HydrophobicContact CD1-CE1 4.09Å; Y344-F402 AromaticContact CE1-CE1 3.5Å; Y344-F402 HydrophobicContact CE1-CE1 3.5Å; Y344-F402 VanDerWaalsContact CE1-CE1 3.5Å; Y344-F402 AromaticContact CE1-CZ 3.71Å; Y344-F402 HydrophobicContact CE1-CZ 3.71Å; Y344-F402 AromaticContact CZ-CZ 3.93Å; F355-F402 HydrophobicContact CE1-CE1 4.18Å; F355-F402 HydrophobicContact CE2-CE1 4.1Å; F355-F402 AromaticContact CZ-CE1 3.64Å; F355-F402 HydrophobicContact CZ-CE1 3.64Å; F355-F402 HydrophobicContact CZ-CZ 4.21Å; L379-F402 HydrophobicContact CD1-CZ 4.21Å; F381-F402 HydrophobicContact CE1-CB 4.25Å; F381-F402 HydrophobicContact CE2-CD2 4.09Å; F381-F402 HydrophobicContact CE2-CE2 4.34Å; F381-F402 HydrophobicContact CE2-CG 4.25Å; F381-F402 HydrophobicContact CZ-CB 3.6Å; F381-F402 HydrophobicContact CZ-CD1 4.3Å; F381-F402 AromaticContact CZ-CD2 3.64Å; F381-F402 HydrophobicContact CZ-CD2 3.64Å; F381-F402 HydrophobicContact CZ-CE2 4.34Å; F381-F402 AromaticContact CZ-CG 3.61Å; F381-F402 HydrophobicContact CZ-CG 3.61Å; I388-F402 HydrophobicContact CD1-CB 4.46Å; I388-F402 HydrophobicContact CD1-CD1 3.61Å; I388-F402 HydrophobicContact CD1-CE1 4Å; I388-F402 HydrophobicContact CD1-CG 4.18Å; I388-F402 HydrophobicContact CG2-CB 4.22Å; I388-F402 HydrophobicContact CG2-CD1 3.99Å; A391-F402 HydrophobicContact CB-CD1 3.65Å; A391-F402 HydrophobicContact CB-CE1 3.97Å; T400-F402 HydrophobicContact CG2-CD1 4.41Å; T400-F402 HydrophobicContact CG2-CD2 4.25Å; T400-F402 HydrophobicContact CG2-CE1 3.9Å; T400-F402 HydrophobicContact CG2-CE2 3.71Å; T400-F402 HydrophobicContact CG2-CZ 3.52Å; F402-Y408 CarbonylContact O-C 3.55Å; F402-Y408 WeakPolarHBondContact O-CA 3.2Å; F402-Y408 WeakPolarHBondContact O-CB 3.4Å; F402-W409 HydrophobicContact CB-CB 4.35Å; F402-W409 PolarHBondContact N-O 2.94Å; F402-W409 PolarHBondContact O-N 2.94Å; F402-F411 HydrophobicContact CD2-CB 4.14Å; F402-F411 HydrophobicContact CE2-CB 3.62Å; F402-F411 HydrophobicContact CE2-CG 4.18Å
403	F	98.1	Very high	94.7	Very high	1 Å²	1	41.9 Å²	41.9	0%	0.004	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	132.4	-179.7	-60.8	-91.8	0	0	0	109.5	D389 A390 F392 Y408 I426 F430 I437 V440 F449	D389-F403 PolarHBondContact N-O 3.1Å; A390-F403 HydrophobicContact CB-CB 4.25Å; A390-F403 HydrophobicContact CB-CD2 4.28Å; A390-F403 PolarHBondContact N-O 2.93Å; A390-F403 PolarHBondContact O-N 2.82Å; F392-F403 AromaticContact CD1-CE2 3.88Å; F392-F403 HydrophobicContact CD1-CE2 3.88Å; F392-F403 AromaticContact CE1-CE2 3.75Å; F392-F403 HydrophobicContact CE1-CE2 3.75Å; F392-F403 AromaticContact CE1-CZ 3.99Å; F392-F403 HydrophobicContact CE1-CZ 3.99Å; F403-Y408 HydrophobicContact CE1-CG 4.27Å; F403-I426 HydrophobicContact CD1-CD1 3.82Å; F403-I426 HydrophobicContact CD1-CG1 3.93Å; F403-I426 HydrophobicContact CE1-CG1 4.38Å; F403-F430 HydrophobicContact CE1-CD2 4.09Å; F403-F430 AromaticContact CE1-CE2 3.87Å; F403-F430 HydrophobicContact CE1-CE2 3.87Å; F403-F430 HydrophobicContact CE1-CZ 4.32Å; F403-F430 HydrophobicContact CZ-CE2 4.06Å; F403-F430 HydrophobicContact CZ-CZ 4.04Å; F403-I437 HydrophobicContact CB-CD1 4.09Å; F403-I437 HydrophobicContact CD1-CD1 3.48Å; F403-I437 VanDerWaalsContact CD1-CD1 3.48Å; F403-I437 HydrophobicContact CE1-CD1 4.05Å; F403-I437 HydrophobicContact CG-CD1 3.82Å; F403-V440 HydrophobicContact CD2-CG1 4.03Å; F403-V440 HydrophobicContact CE2-CG1 3.93Å; F403-F449 AromaticContact CE1-CE1 3.9Å; F403-F449 HydrophobicContact CE1-CE1 3.9Å; F403-F449 HydrophobicContact CE1-CZ 4.35Å; F403-F449 HydrophobicContact CE2-CE1 4.11Å; F403-F449 AromaticContact CZ-CE1 3.65Å; F403-F449 HydrophobicContact CZ-CE1 3.65Å; F403-F449 AromaticContact CZ-CZ 3.96Å; F403-F449 HydrophobicContact CZ-CZ 3.96Å
404	V	97.2	Very high	94.5	Very high	11 Å²	11	49.5 Å²	49.5	7%	0.067	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	115.1	176.1	-167.8	0	0	0	0	108.1	V385 K387 D389 D406 K407 W409	V385-V404 HydrophobicContact CG1-CG1 4.16Å; V385-V404 HydrophobicContact CG1-CG2 4.05Å; K387-V404 WeakPolarHBondContact O-CG1 3.37Å; D389-V404 WeakPolarHBondContact OD2-CA 3.43Å; V404-D406 PolarHBondContact O-N 3.2Å; V404-K407 CarbonylContact C-O 3.58Å; V404-K407 PolarHBondContact N-O 2.84Å; V404-K407 PolarHBondContact O-N 3.1Å; V404-W409 HydrophobicContact CB-CE3 4.21Å; V404-W409 HydrophobicContact CB-CH2 3.82Å; V404-W409 HydrophobicContact CB-CZ3 3.39Å; V404-W409 HydrophobicContact CG2-CE3 3.82Å; V404-W409 HydrophobicContact CG2-CH2 4.11Å; V404-W409 HydrophobicContact CG2-CZ3 3.51Å
405	E	94.6	Very high	94.6	Very high	139 Å²	139	58.2 Å²	58.2	65%	0.65	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	-131.2	-175.5	-58.1	177.1	177	0	0	111.3	D389 K407 I426 S435	D389-E405 PolarHBondContact OD2-N 2.87Å; E405-K407 PolarHBondContact O-N 3.41Å; E405-I426 WeakPolarHBondContact O-CD1 3.27Å; E405-S435 CarbonylContact C-O 3.55Å
406	D	95.6	Very high	94.9	Very high	56 Å²	56	61 Å²	61	30%	0.299	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	1.5	-179.3	70.6	-29.8	0	0	0	114.6	V404 Q425 I426	V404-D406 PolarHBondContact O-N 3.2Å; D406-Q425 PolarHBondContact O-OE1 2.86Å; D406-Q425 VanDerWaalsContact O-OE1 3.06Å; D406-Q425 PolarHBondContact OD2-NE2 3.28Å; D406-Q425 PolarHBondContact OD2-OE1 3.21Å; D406-I426 WeakPolarHBondContact O-CG1 3.35Å; D406-I426 PolarHBondContact O-N 2.6Å
407	K	96.7	Very high	95.4	Very high	79 Å²	79	54.6 Å²	54.6	34%	0.343	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	159.3	-169.2	-75.8	164.6	-162.7	165.9	0	112.8	V404 E405 W409 P423 K424	V404-K407 CarbonylContact C-O 3.58Å; V404-K407 PolarHBondContact N-O 2.84Å; V404-K407 PolarHBondContact O-N 3.1Å; E405-K407 PolarHBondContact O-N 3.41Å; K407-W409 HydrophobicContact CB-CH2 3.68Å; K407-W409 HydrophobicContact CB-CZ3 3.57Å; K407-W409 HydrophobicContact CD-CH2 4.46Å; K407-P423 HydrophobicContact CB-CB 3.98Å; K407-P423 HydrophobicContact CD-CB 4.16Å; K407-P423 HydrophobicContact CD-CG 4.15Å; K407-P423 HydrophobicContact CG-CB 4.27Å; K407-K424 CarbonylContact C-O 3.52Å; K407-K424 WeakPolarHBondContact CA-O 3.44Å
408	Y	97.6	Very high	95.7	Very high	4 Å²	4	51 Å²	51	2%	0.016	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	155	169	83.5	-75.8	0	0	0	112.1	Y401 F402 F403 F422 P423 K424 I426 D429 F430	Y401-Y408 AromaticContact CD1-CD2 3.82Å; Y401-Y408 HydrophobicContact CD1-CD2 3.82Å; Y401-Y408 AromaticContact CD1-CE2 3.64Å; Y401-Y408 HydrophobicContact CD1-CE2 3.64Å; Y401-Y408 AromaticContact CE1-CE2 3.92Å; Y401-Y408 HydrophobicContact CE1-CE2 3.92Å; F402-Y408 CarbonylContact O-C 3.55Å; F402-Y408 WeakPolarHBondContact O-CA 3.2Å; F402-Y408 WeakPolarHBondContact O-CB 3.4Å; F403-Y408 HydrophobicContact CE1-CG 4.27Å; Y408-F422 HydrophobicContact CD2-CE1 4.09Å; Y408-F422 HydrophobicContact CE1-CE1 4.36Å; Y408-F422 HydrophobicContact CE2-CD1 4.28Å; Y408-F422 AromaticContact CE2-CE1 3.43Å; Y408-F422 HydrophobicContact CE2-CE1 3.43Å; Y408-F422 VanDerWaalsContact CE2-CE1 3.43Å; Y408-F422 HydrophobicContact CE2-CZ 4.24Å; Y408-F422 AromaticContact CZ-CE1 3.59Å; Y408-F422 WeakPolarHBondContact O-CD1 3.4Å; Y408-P423 VanDerWaalsContact O-CA 3.26Å; Y408-P423 WeakPolarHBondContact O-CA 3.49Å; Y408-K424 HydrophobicContact CD1-CB 4.08Å; Y408-K424 HydrophobicContact CE1-CB 3.53Å; Y408-K424 HydrophobicContact CE1-CD 4.3Å; Y408-K424 PolarHBondContact N-O 3.33Å; Y408-K424 PolarHBondContact O-N 2.87Å; Y408-I426 HydrophobicContact CD1-CG1 4.34Å; Y408-D429 HydrophobicContact CE1-CB 4.05Å; Y408-D429 WeakPolarHBondContact OH-CB 3.38Å; Y408-D429 PolarHBondContact OH-OD2 2.79Å; Y408-F430 HydrophobicContact CD1-CD2 4.41Å; Y408-F430 HydrophobicContact CD1-CE2 4.04Å; Y408-F430 HydrophobicContact CD2-CE2 4.03Å; Y408-F430 HydrophobicContact CE1-CD2 4.32Å; Y408-F430 AromaticContact CE1-CE2 3.88Å; Y408-F430 HydrophobicContact CE1-CE2 3.88Å; Y408-F430 AromaticContact CE2-CE2 3.85Å; Y408-F430 HydrophobicContact CE2-CE2 3.85Å; Y408-F430 HydrophobicContact CE2-CZ 4.4Å; Y408-F430 HydrophobicContact CG-CE2 4.11Å; Y408-F430 AromaticContact CZ-CE2 3.77Å
409	W	98	Very high	95.9	Very high	17 Å²	17	49.9 Å²	49.9	6%	0.064	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	151.8	177.7	-69.5	-109.9	0	0	0	108.7	F381 V385 Y401 F402 V404 K407 M418 P423	F381-W409 HydrophobicContact CD1-CD2 4.21Å; F381-W409 HydrophobicContact CD1-CG 4.2Å; F381-W409 HydrophobicContact CE1-CB 3.97Å; F381-W409 AromaticContact CE1-CD1 3.93Å; F381-W409 AromaticContact CE1-CD2 3.68Å; F381-W409 HydrophobicContact CE1-CD2 3.68Å; F381-W409 HydrophobicContact CE1-CE3 4.17Å; F381-W409 AromaticContact CE1-CG 3.59Å; F381-W409 HydrophobicContact CE1-CG 3.59Å; F381-W409 HydrophobicContact CZ-CB 4.37Å; F381-W409 HydrophobicContact CZ-CG 4.44Å; V385-W409 HydrophobicContact CG2-CH2 4.19Å; V385-W409 HydrophobicContact CG2-CZ2 3.83Å; Y401-W409 WeakPolarHBondContact CA-O 3.48Å; F402-W409 HydrophobicContact CB-CB 4.35Å; F402-W409 PolarHBondContact N-O 2.94Å; F402-W409 PolarHBondContact O-N 2.94Å; V404-W409 HydrophobicContact CB-CE3 4.21Å; V404-W409 HydrophobicContact CB-CH2 3.82Å; V404-W409 HydrophobicContact CB-CZ3 3.39Å; V404-W409 HydrophobicContact CG2-CE3 3.82Å; V404-W409 HydrophobicContact CG2-CH2 4.11Å; V404-W409 HydrophobicContact CG2-CZ3 3.51Å; K407-W409 HydrophobicContact CB-CH2 3.68Å; K407-W409 HydrophobicContact CB-CZ3 3.57Å; K407-W409 HydrophobicContact CD-CH2 4.46Å; W409-M418 HydrophobicContact CB-CE 4.03Å; W409-M418 HydrophobicContact CB-SD 3.67Å; W409-M418 HydrophobicContact CG-CE 4.25Å; W409-M418 HydrophobicContact CG-SD 4.29Å; W409-P423 HydrophobicContact CD2-CB 3.81Å; W409-P423 VanDerWaalsContact CE2-CB 3.47Å; W409-P423 HydrophobicContact CE3-CB 4.21Å; W409-P423 HydrophobicContact CG-CB 4.33Å; W409-P423 HydrophobicContact CH2-CB 3.91Å; W409-P423 HydrophobicContact CH2-CG 4.3Å; W409-P423 HydrophobicContact CZ2-CB 3.56Å; W409-P423 HydrophobicContact CZ2-CG 3.64Å; W409-P423 HydrophobicContact CZ3-CB 4.2Å
410	R	97.9	Very high	95.9	Very high	68 Å²	68	54.2 Å²	54.2	26%	0.257	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	123.9	174.3	-163.2	164.7	64.9	-172.4	1.5	110.3	K399 T400 Y401 M418 E419 F422	K399-R410 HydrophobicContact CB-CG 3.99Å; K399-R410 HydrophobicContact CG-CG 4.47Å; T400-R410 CarbonylContact O-C 3.48Å; T400-R410 WeakPolarHBondContact O-CA 3.19Å; Y401-R410 HydrophobicContact CD1-CG 4.38Å; Y401-R410 HydrophobicContact CE1-CG 4.12Å; R410-M418 VanDerWaalsContact O-SD 3.37Å; R410-E419 IonicContact CZ-OE2 2.73Å; R410-E419 IonicContact NE-OE2 2.69Å; R410-E419 PolarHBondContact NE-OE2 3.49Å; R410-E419 IonicContact NH2-OE2 3.07Å; R410-E419 PolarHBondContact NH2-OE2 3.24Å; R410-E419 WeakPolarHBondContact O-CB 3.13Å; R410-E419 PolarHBondContact O-N 2.52Å; R410-F422 HydrophobicContact CB-CD1 4.09Å; R410-F422 HydrophobicContact CB-CD2 3.95Å; R410-F422 HydrophobicContact CB-CE1 3.7Å; R410-F422 HydrophobicContact CB-CE2 3.54Å; R410-F422 HydrophobicContact CB-CG 4.21Å; R410-F422 HydrophobicContact CB-CZ 3.4Å; R410-F422 VanDerWaalsContact CB-CZ 3.4Å; R410-F422 HydrophobicContact CG-CZ 4.35Å
411	F	97.4	Very high	95.7	Very high	3 Å²	3	57.2 Å²	57.2	1%	0.013	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	131.8	-179.5	-173.5	-92.5	0	0	0	110.2	L379 K399 T400 F402 E413 N416 M418	L379-F411 HydrophobicContact CB-CE2 4.32Å; L379-F411 HydrophobicContact CD2-CE2 4.32Å; L379-F411 HydrophobicContact CD2-CZ 4.29Å; L379-F411 WeakPolarHBondContact O-CE2 3.3Å; K399-F411 WeakPolarHBondContact CA-O 3.4Å; T400-F411 PolarHBondContact N-O 3.25Å; T400-F411 PolarHBondContact O-N 3.43Å; F402-F411 HydrophobicContact CD2-CB 4.14Å; F402-F411 HydrophobicContact CE2-CB 3.62Å; F402-F411 HydrophobicContact CE2-CG 4.18Å; F411-E413 HydrophobicContact CD1-CG 4.49Å; F411-N416 HydrophobicContact CZ-CB 4.49Å; F411-N416 WeakPolarHBondContact CZ-OD1 3.4Å; F411-M418 HydrophobicContact CB-SD 4.1Å; F411-M418 HydrophobicContact CD2-CE 4.47Å; F411-M418 HydrophobicContact CD2-SD 4.26Å
412	D	95.7	Very high	95.7	Very high	16 Å²	16	58.1 Å²	58.1	9%	0.086	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	108.1	176.1	-174	-38.9	0	0	0	109.6	K399 K414 R415 N416 S417 E419	K399-D412 HydrophobicContact CD-CB 4.36Å; K399-D412 VanDerWaalsContact NZ-CG 3.26Å; K399-D412 IonicContact NZ-OD2 2.63Å; K399-D412 PolarHBondContact NZ-OD2 3.15Å; D412-K414 PolarHBondContact O-N 2.9Å; D412-K414 WeakPolarHBondContact OD1-CA 3.37Å; D412-K414 WeakPolarHBondContact OD1-CB 3.32Å; D412-K414 PolarHBondContact OD1-N 3.33Å; D412-R415 HydrophobicContact CB-CB 4.04Å; D412-R415 HydrophobicContact CB-CG 4.41Å; D412-R415 PolarHBondContact O-N 3.08Å; D412-R415 PolarHBondContact OD1-N 3.46Å; D412-R415 WeakPolarHBondContact OD2-CD 3.28Å; D412-N416 WeakPolarHBondContact O-CA 3.22Å; D412-N416 PolarHBondContact O-N 2.93Å; D412-S417 PolarHBondContact N-O 3.23Å; D412-S417 PolarHBondContact O-N 3.47Å; D412-E419 HydrophobicContact CB-CG 4.16Å
413	E	92.8	Very high	95.6	Very high	14 Å²	14	61 Å²	61	7%	0.065	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-23.3	-177.9	-72.9	-67.4	163.7	0	0	113.4	Y344 V346 K349 K398 T400 F411	Y344-E413 PolarHBondContact OH-OE1 2.81Å; V346-E413 HydrophobicContact CG1-CG 4.5Å; V346-E413 HydrophobicContact CG2-CG 4.45Å; K349-E413 IonicContact NZ-OE2 2.91Å; K349-E413 PolarHBondContact NZ-OE2 2.88Å; K398-E413 PolarHBondContact O-N 3.29Å; T400-E413 WeakPolarHBondContact CB-OE1 3.47Å; T400-E413 WeakPolarHBondContact OG1-CG 3.33Å; T400-E413 PolarHBondContact OG1-OE1 2.74Å; F411-E413 HydrophobicContact CD1-CG 4.49Å
414	K	90.8	Very high	95.5	Very high	172 Å²	172	64.2 Å²	64.2	75%	0.748	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-43.2	177.2	-66.3	-177	178.1	178.4	0	111.5	K398 D412 N416	K398-K414 HydrophobicContact CB-CG 4.42Å; D412-K414 PolarHBondContact O-N 2.9Å; D412-K414 WeakPolarHBondContact OD1-CA 3.37Å; D412-K414 WeakPolarHBondContact OD1-CB 3.32Å; D412-K414 PolarHBondContact OD1-N 3.33Å; K414-N416 VanDerWaalsContact C-N 3.31Å
415	R	92.9	Very high	95.5	Very high	191 Å²	191	66.7 Å²	66.7	72%	0.721	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-14.6	178.6	-62.4	177.2	66.1	143.8	1.5	112.7	D412 S417	D412-R415 HydrophobicContact CB-CB 4.04Å; D412-R415 HydrophobicContact CB-CG 4.41Å; D412-R415 PolarHBondContact O-N 3.08Å; D412-R415 PolarHBondContact OD1-N 3.46Å; D412-R415 WeakPolarHBondContact OD2-CD 3.28Å; R415-S417 VanDerWaalsContact C-N 3.28Å; R415-S417 PolarHBondContact O-N 3.18Å
416	N	92	Very high	95.6	Very high	112 Å²	112	60.2 Å²	60.2	60%	0.599	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	44.2	-175.4	-160.2	40.6	0	0	0	112.1	F411 D412 K414	F411-N416 HydrophobicContact CZ-CB 4.49Å; F411-N416 WeakPolarHBondContact CZ-OD1 3.4Å; D412-N416 WeakPolarHBondContact O-CA 3.22Å; D412-N416 PolarHBondContact O-N 2.93Å; K414-N416 VanDerWaalsContact C-N 3.31Å
417	S	95.6	Very high	95.5	Very high	44 Å²	44	60.8 Å²	60.8	31%	0.308	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	149.9	-175.5	65	0	0	0	0	112.1	D412 R415	D412-S417 PolarHBondContact N-O 3.23Å; D412-S417 PolarHBondContact O-N 3.47Å; R415-S417 VanDerWaalsContact C-N 3.28Å; R415-S417 PolarHBondContact O-N 3.18Å
418	M	96.4	Very high	95.3	Very high	34 Å²	34	63.2 Å²	63.2	17%	0.167	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	139.8	171.2	-153.6	66.2	79.4	0	0	111.5	F381 W409 R410 F411	F381-M418 HydrophobicContact CD1-CE 4.09Å; F381-M418 HydrophobicContact CD2-CE 4.02Å; F381-M418 HydrophobicContact CE1-CE 3.83Å; F381-M418 HydrophobicContact CE2-CE 3.76Å; F381-M418 HydrophobicContact CG-CE 4.18Å; F381-M418 HydrophobicContact CZ-CE 3.65Å; W409-M418 HydrophobicContact CB-CE 4.03Å; W409-M418 HydrophobicContact CB-SD 3.67Å; W409-M418 HydrophobicContact CG-CE 4.25Å; W409-M418 HydrophobicContact CG-SD 4.29Å; R410-M418 VanDerWaalsContact O-SD 3.37Å; F411-M418 HydrophobicContact CB-SD 4.1Å; F411-M418 HydrophobicContact CD2-CE 4.47Å; F411-M418 HydrophobicContact CD2-SD 4.26Å
419	E	96.1	Very high	95.2	Very high	37 Å²	37	64.7 Å²	64.7	17%	0.173	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-75.4	144.5	178.9	-75.1	-162.2	146.5	0	0	112.8	K399 R410 D412 F422	K399-E419 WeakPolarHBondContact CE-OE1 3.18Å; K399-E419 IonicContact NZ-OE1 2.65Å; K399-E419 PolarHBondContact NZ-OE1 3.47Å; R410-E419 IonicContact CZ-OE2 2.73Å; R410-E419 IonicContact NE-OE2 2.69Å; R410-E419 PolarHBondContact NE-OE2 3.49Å; R410-E419 IonicContact NH2-OE2 3.07Å; R410-E419 PolarHBondContact NH2-OE2 3.24Å; R410-E419 WeakPolarHBondContact O-CB 3.13Å; R410-E419 PolarHBondContact O-N 2.52Å; D412-E419 HydrophobicContact CB-CG 4.16Å; E419-F422 HydrophobicContact CB-CD2 3.8Å; E419-F422 HydrophobicContact CB-CE2 3.98Å
420	P	94.9	Very high	95	Very high	127 Å²	127	64.3 Å²	64.3	83%	0.825	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	145.1	171.4	-20.8	32.3	0	0	0	112
421	G	94	Very high	94.9	Very high	63 Å²	63	63.5 Å²	63.5	65%	0.649	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	87	10.1	179.2	0	0	0	0	0	114.9
422	F	96.3	Very high	94.5	Very high	32 Å²	32	66.4 Å²	66.4	14%	0.14	37%	0.374	C	S	.	.			trans	-110	152.8	171.6	-72.9	-84.9	0	0	0	111.6	Y408 R410 E419 K424	Y408-F422 HydrophobicContact CD2-CE1 4.09Å; Y408-F422 HydrophobicContact CE1-CE1 4.36Å; Y408-F422 HydrophobicContact CE2-CD1 4.28Å; Y408-F422 AromaticContact CE2-CE1 3.43Å; Y408-F422 HydrophobicContact CE2-CE1 3.43Å; Y408-F422 VanDerWaalsContact CE2-CE1 3.43Å; Y408-F422 HydrophobicContact CE2-CZ 4.24Å; Y408-F422 AromaticContact CZ-CE1 3.59Å; Y408-F422 WeakPolarHBondContact O-CD1 3.4Å; R410-F422 HydrophobicContact CB-CD1 4.09Å; R410-F422 HydrophobicContact CB-CD2 3.95Å; R410-F422 HydrophobicContact CB-CE1 3.7Å; R410-F422 HydrophobicContact CB-CE2 3.54Å; R410-F422 HydrophobicContact CB-CG 4.21Å; R410-F422 HydrophobicContact CB-CZ 3.4Å; R410-F422 VanDerWaalsContact CB-CZ 3.4Å; R410-F422 HydrophobicContact CG-CZ 4.35Å; E419-F422 HydrophobicContact CB-CD2 3.8Å; E419-F422 HydrophobicContact CB-CE2 3.98Å; F422-K424 HydrophobicContact CD1-CB 4.29Å; F422-K424 HydrophobicContact CD1-CD 4.43Å; F422-K424 HydrophobicContact CD1-CG 4.01Å; F422-K424 HydrophobicContact CE1-CB 4.28Å; F422-K424 HydrophobicContact CE1-CD 3.86Å; F422-K424 HydrophobicContact CE1-CG 3.95Å; F422-K424 HydrophobicContact CZ-CD 4.23Å
423	P	96.9	Very high	94.4	Very high	60 Å²	60	66.2 Å²	66.2	39%	0.39	37%	0.373	S	S	.	.			cis	-72.1	159.3	3.1	26	-31.6	0	0	0	114.8	K407 Y408 W409	K407-P423 HydrophobicContact CB-CB 3.98Å; K407-P423 HydrophobicContact CD-CB 4.16Å; K407-P423 HydrophobicContact CD-CG 4.15Å; K407-P423 HydrophobicContact CG-CB 4.27Å; Y408-P423 VanDerWaalsContact O-CA 3.26Å; Y408-P423 WeakPolarHBondContact O-CA 3.49Å; W409-P423 HydrophobicContact CD2-CB 3.81Å; W409-P423 VanDerWaalsContact CE2-CB 3.47Å; W409-P423 HydrophobicContact CE3-CB 4.21Å; W409-P423 HydrophobicContact CG-CB 4.33Å; W409-P423 HydrophobicContact CH2-CB 3.91Å; W409-P423 HydrophobicContact CH2-CG 4.3Å; W409-P423 HydrophobicContact CZ2-CB 3.56Å; W409-P423 HydrophobicContact CZ2-CG 3.64Å; W409-P423 HydrophobicContact CZ3-CB 4.2Å
424	K	96.8	Very high	94	Very high	70 Å²	70	70 Å²	70	30%	0.304	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	161	169.3	-73	-173	175.1	-165.1	0	111	K407 Y408 F422 D429	K407-K424 CarbonylContact C-O 3.52Å; K407-K424 WeakPolarHBondContact CA-O 3.44Å; Y408-K424 HydrophobicContact CD1-CB 4.08Å; Y408-K424 HydrophobicContact CE1-CB 3.53Å; Y408-K424 HydrophobicContact CE1-CD 4.3Å; Y408-K424 PolarHBondContact N-O 3.33Å; Y408-K424 PolarHBondContact O-N 2.87Å; F422-K424 HydrophobicContact CD1-CB 4.29Å; F422-K424 HydrophobicContact CD1-CD 4.43Å; F422-K424 HydrophobicContact CD1-CG 4.01Å; F422-K424 HydrophobicContact CE1-CB 4.28Å; F422-K424 HydrophobicContact CE1-CD 3.86Å; F422-K424 HydrophobicContact CE1-CG 3.95Å; F422-K424 HydrophobicContact CZ-CD 4.23Å; K424-D429 WeakPolarHBondContact CD-OD2 3.4Å; K424-D429 IonicContact NZ-OD2 3.09Å; K424-D429 PolarHBondContact NZ-OD2 3.13Å
425	Q	96.3	Very high	93.6	Very high	63 Å²	63	64.5 Å²	64.5	29%	0.294	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	131.9	173.4	-75.2	-67.5	-20	0	0	110.6	D406 A427 E428	D406-Q425 PolarHBondContact O-OE1 2.86Å; D406-Q425 VanDerWaalsContact O-OE1 3.06Å; D406-Q425 PolarHBondContact OD2-NE2 3.28Å; D406-Q425 PolarHBondContact OD2-OE1 3.21Å; Q425-A427 VanDerWaalsContact C-N 3.29Å; Q425-A427 PolarHBondContact O-N 3.18Å; Q425-E428 HydrophobicContact CB-CB 4.4Å; Q425-E428 HydrophobicContact CB-CG 3.83Å; Q425-E428 PolarHBondContact O-N 3.09Å
426	I	96.4	Very high	93.4	Very high	2 Å²	2	61.6 Å²	61.6	1%	0.01	37%	0.37	C	S	.	.	H	α-helix	trans	-58.9	-45.2	178.4	-67.3	169.1	0	0	0	109.8	F403 E405 D406 Y408 E428 D429 F430 I433 I437	F403-I426 HydrophobicContact CD1-CD1 3.82Å; F403-I426 HydrophobicContact CD1-CG1 3.93Å; F403-I426 HydrophobicContact CE1-CG1 4.38Å; E405-I426 WeakPolarHBondContact O-CD1 3.27Å; D406-I426 WeakPolarHBondContact O-CG1 3.35Å; D406-I426 PolarHBondContact O-N 2.6Å; Y408-I426 HydrophobicContact CD1-CG1 4.34Å; I426-E428 PolarHBondContact O-N 3.01Å; I426-E428 VanDerWaalsContact O-N 3.11Å; I426-D429 PolarHBondContact O-N 2.95Å; I426-F430 HydrophobicContact CG2-CB 4.07Å; I426-F430 HydrophobicContact CG2-CD2 4.3Å; I426-F430 WeakPolarHBondContact O-CA 3.26Å; I426-F430 WeakPolarHBondContact O-CB 3.33Å; I426-F430 PolarHBondContact O-N 3.45Å; I426-I433 HydrophobicContact CG2-CB 4.36Å; I426-I433 HydrophobicContact CG2-CG2 4.33Å; I426-I437 HydrophobicContact CD1-CD1 3.97Å; I426-I437 HydrophobicContact CG2-CD1 4.45Å
427	A	94	Very high	93.6	Very high	68 Å²	68	56.4 Å²	56.4	56%	0.562	34%	0.342	S	S	*	.	H	α-helix	trans	-61.7	-21.5	-176.6	0	0	0	0	0	114.7	Q425	Q425-A427 VanDerWaalsContact C-N 3.29Å; Q425-A427 PolarHBondContact O-N 3.18Å
428	E	93	Very high	93.6	Very high	130 Å²	130	56 Å²	56	61%	0.607	34%	0.337	S	S	*	.	H	α-helix	trans	-75.8	-40.1	178.6	-71.1	177.2	-171.6	0	0	112.4	Q425 I426	Q425-E428 HydrophobicContact CB-CB 4.4Å; Q425-E428 HydrophobicContact CB-CG 3.83Å; Q425-E428 PolarHBondContact O-N 3.09Å; I426-E428 PolarHBondContact O-N 3.01Å; I426-E428 VanDerWaalsContact O-N 3.11Å
429	D	94	Very high	93.7	Very high	35 Å²	35	54.5 Å²	54.5	19%	0.187	33%	0.329	C	S	.	.	H	α-helix	trans	-106.7	-18.6	-173.6	-83.7	-40.3	0	0	0	113.1	Y408 K424 I426 K463	Y408-D429 HydrophobicContact CE1-CB 4.05Å; Y408-D429 WeakPolarHBondContact OH-CB 3.38Å; Y408-D429 PolarHBondContact OH-OD2 2.79Å; K424-D429 WeakPolarHBondContact CD-OD2 3.4Å; K424-D429 IonicContact NZ-OD2 3.09Å; K424-D429 PolarHBondContact NZ-OD2 3.13Å; I426-D429 PolarHBondContact O-N 2.95Å; D429-K463 IonicContact OD1-NZ 3.11Å; D429-K463 PolarHBondContact OD1-NZ 3.13Å; D429-K463 VanDerWaalsContact OD1-NZ 3.11Å
430	F	95.3	Very high	93.8	Very high	9 Å²	9	52.8 Å²	52.8	4%	0.039	32%	0.321	C	S	.	.	S	Bend	trans	-127.8	64.9	177.2	-54.1	-85.2	0	0	0	111.4	Y401 F403 Y408 I426 G432 I433 F447 F449 F458	Y401-F430 HydrophobicContact CD1-CZ 4.12Å; Y401-F430 HydrophobicContact CE1-CZ 4.3Å; F403-F430 HydrophobicContact CE1-CD2 4.09Å; F403-F430 AromaticContact CE1-CE2 3.87Å; F403-F430 HydrophobicContact CE1-CE2 3.87Å; F403-F430 HydrophobicContact CE1-CZ 4.32Å; F403-F430 HydrophobicContact CZ-CE2 4.06Å; F403-F430 HydrophobicContact CZ-CZ 4.04Å; Y408-F430 HydrophobicContact CD1-CD2 4.41Å; Y408-F430 HydrophobicContact CD1-CE2 4.04Å; Y408-F430 HydrophobicContact CD2-CE2 4.03Å; Y408-F430 HydrophobicContact CE1-CD2 4.32Å; Y408-F430 AromaticContact CE1-CE2 3.88Å; Y408-F430 HydrophobicContact CE1-CE2 3.88Å; Y408-F430 AromaticContact CE2-CE2 3.85Å; Y408-F430 HydrophobicContact CE2-CE2 3.85Å; Y408-F430 HydrophobicContact CE2-CZ 4.4Å; Y408-F430 HydrophobicContact CG-CE2 4.11Å; Y408-F430 AromaticContact CZ-CE2 3.77Å; I426-F430 HydrophobicContact CG2-CB 4.07Å; I426-F430 HydrophobicContact CG2-CD2 4.3Å; I426-F430 WeakPolarHBondContact O-CA 3.26Å; I426-F430 WeakPolarHBondContact O-CB 3.33Å; I426-F430 PolarHBondContact O-N 3.45Å; F430-G432 PolarHBondContact O-N 3.38Å; F430-I433 HydrophobicContact CB-CB 4.19Å; F430-I433 HydrophobicContact CB-CG1 3.93Å; F430-I433 WeakPolarHBondContact O-CB 3.48Å; F430-I433 PolarHBondContact O-N 3.06Å; F430-F447 HydrophobicContact CD1-CD2 4.44Å; F430-F447 AromaticContact CE1-CD2 3.84Å; F430-F447 HydrophobicContact CE1-CD2 3.84Å; F430-F447 AromaticContact CE1-CE2 3.87Å; F430-F447 HydrophobicContact CE1-CE2 3.87Å; F430-F449 HydrophobicContact CD1-CE2 4.21Å; F430-F449 AromaticContact CD1-CZ 3.82Å; F430-F449 HydrophobicContact CD1-CZ 3.82Å; F430-F449 HydrophobicContact CE1-CZ 4.12Å; F430-F449 HydrophobicContact CG-CZ 4.33Å; F430-F458 HydrophobicContact CB-CE2 4.37Å; F430-F458 HydrophobicContact CB-CZ 4.27Å; F430-F458 HydrophobicContact CD1-CD1 4.09Å; F430-F458 AromaticContact CD1-CE1 3.64Å; F430-F458 HydrophobicContact CD1-CE1 3.64Å; F430-F458 AromaticContact CD1-CZ 3.98Å; F430-F458 HydrophobicContact CD1-CZ 3.98Å; F430-F458 HydrophobicContact CE1-CE1 4.29Å
431	P	94.3	Very high	93.8	Very high	52 Å²	52	46.9 Å²	46.9	34%	0.338	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	133	-177	28.9	-37.5	0	0	0	111.5	F458 K463	P431-F458 HydrophobicContact CG-CE2 4.49Å; P431-K463 HydrophobicContact CG-CB 4.38Å; P431-K463 WeakPolarHBondContact CG-O 3.37Å
432	G	90.6	Very high	93.7	Very high	63 Å²	63	45.2 Å²	45.2	65%	0.649	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.4	-4.4	-177.1	0	0	0	0	0	114.8	F430	F430-G432 PolarHBondContact O-N 3.38Å
433	I	93.6	Very high	93.1	Very high	12 Å²	12	44.9 Å²	44.9	6%	0.062	26%	0.257	C	S	.	.			trans	-91.5	132.3	170.8	-54.1	-56.2	0	0	0	109.4	I426 F430 I437 F449 L456 F458 V465	I426-I433 HydrophobicContact CG2-CB 4.36Å; I426-I433 HydrophobicContact CG2-CG2 4.33Å; F430-I433 HydrophobicContact CB-CB 4.19Å; F430-I433 HydrophobicContact CB-CG1 3.93Å; F430-I433 WeakPolarHBondContact O-CB 3.48Å; F430-I433 PolarHBondContact O-N 3.06Å; I433-I437 HydrophobicContact CG2-CD1 3.83Å; I433-I437 HydrophobicContact CG2-CG1 3.98Å; I433-F449 HydrophobicContact CD1-CB 4.17Å; I433-F449 HydrophobicContact CD1-CD2 3.54Å; I433-F449 HydrophobicContact CD1-CE2 4.1Å; I433-F449 HydrophobicContact CD1-CG 3.94Å; I433-F449 HydrophobicContact CG1-CD2 3.91Å; I433-F449 HydrophobicContact CG1-CE2 3.98Å; I433-F449 HydrophobicContact CG1-CG 4.3Å; I433-F449 HydrophobicContact CG1-CZ 4.44Å; I433-F449 HydrophobicContact CG2-CB 4.39Å; I433-F449 HydrophobicContact CG2-CD1 3.86Å; I433-F449 HydrophobicContact CG2-CD2 4.42Å; I433-F449 HydrophobicContact CG2-CE1 4.2Å; I433-F449 HydrophobicContact CG2-CG 3.98Å; I433-L456 HydrophobicContact CD1-CB 3.95Å; I433-L456 HydrophobicContact CD1-CD1 3.82Å; I433-F458 HydrophobicContact CD1-CB 4.34Å; I433-F458 HydrophobicContact CD1-CD2 4.23Å; I433-F458 HydrophobicContact CG1-CD2 4.12Å; I433-V465 HydrophobicContact CD1-CG2 3.65Å; I433-V465 HydrophobicContact CG1-CG2 4.5Å
434	D	83.7	Confident	92.4	Very high	93 Å²	93	48 Å²	48	50%	0.497	27%	0.265	S	S	.	.			trans	-68.8	157.8	176.4	-160.2	-13.7	0	0	0	110.8	K436	D434-K436 PolarHBondContact O-N 2.95Å
435	S	83.1	Confident	91.6	Very high	58 Å²	58	46.5 Å²	46.5	41%	0.406	27%	0.269	S	S	.	.	S	Bend	trans	-67.5	-25.7	173.8	58.7	0	0	0	0	112.2	E405 I437	E405-S435 CarbonylContact C-O 3.55Å; S435-I437 PolarHBondContact O-N 3.49Å
436	K	88.3	Confident	91.1	Very high	130 Å²	130	46.3 Å²	46.3	57%	0.565	27%	0.267	S	S	*	.			trans	-90.1	102.7	174.5	-166.7	-175.1	175.4	-162.5	0	110.8	D434 D438 T451	D434-K436 PolarHBondContact O-N 2.95Å; K436-D438 WeakPolarHBondContact CE-OD1 3.44Å; K436-D438 IonicContact NZ-OD1 2.67Å; K436-T451 WeakPolarHBondContact O-CG2 3.48Å; K436-T451 PolarHBondContact O-OG1 2.82Å
437	I	95.9	Very high	91	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.015	27%	0.269	C	S	.	.			trans	-112.2	123.9	175.2	-56.1	166.7	0	0	0	107.3	D389 A390 F403 I426 I433 S435 A439 F449	D389-I437 WeakPolarHBondContact CB-O 3.47Å; A390-I437 HydrophobicContact CB-CB 4.23Å; A390-I437 HydrophobicContact CB-CG2 3.54Å; F403-I437 HydrophobicContact CB-CD1 4.09Å; F403-I437 HydrophobicContact CD1-CD1 3.48Å; F403-I437 VanDerWaalsContact CD1-CD1 3.48Å; F403-I437 HydrophobicContact CE1-CD1 4.05Å; F403-I437 HydrophobicContact CG-CD1 3.82Å; I426-I437 HydrophobicContact CD1-CD1 3.97Å; I426-I437 HydrophobicContact CG2-CD1 4.45Å; I433-I437 HydrophobicContact CG2-CD1 3.83Å; I433-I437 HydrophobicContact CG2-CG1 3.98Å; S435-I437 PolarHBondContact O-N 3.49Å; I437-A439 WeakPolarHBondContact CG2-O 3.4Å; I437-F449 HydrophobicContact CD1-CD1 3.82Å; I437-F449 HydrophobicContact CD1-CE1 3.87Å; I437-F449 HydrophobicContact CG1-CD1 4.24Å; I437-F449 HydrophobicContact CG2-CD1 3.88Å
438	D	96.3	Very high	91	Very high	36 Å²	36	43.9 Å²	43.9	19%	0.193	24%	0.244	C	C	.	.	S	Bend	trans	-92	-30.3	177.8	-59.6	-39.1	0	0	0	111.4	D297 K436 F450 G452	D297-D438 VanDerWaalsContact O-O 3.06Å; K436-D438 WeakPolarHBondContact CE-OD1 3.44Å; K436-D438 IonicContact NZ-OD1 2.67Å; D438-F450 PolarHBondContact N-O 3.38Å; D438-G452 PolarHBondContact OD2-N 3.01Å
439	A	97.8	Very high	91.2	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.008	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	162.4	173.2	0	0	0	0	0	112	V299 I437 F450	V299-A439 HydrophobicContact CB-CB 4.01Å; V299-A439 HydrophobicContact CG2-CB 3.62Å; I437-A439 WeakPolarHBondContact CG2-O 3.4Å; A439-F450 HydrophobicContact CB-CB 4.09Å; A439-F450 HydrophobicContact CB-CD2 4.22Å; A439-F450 HydrophobicContact CB-CG 4.41Å; A439-F450 PolarHBondContact N-O 3.01Å; A439-F450 PolarHBondContact O-N 3.27Å
440	V	97.9	Very high	91.4	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	144.4	173.6	62.8	0	0	0	0	110.7	A390 F392 F403 Y448 F449	A390-V440 HydrophobicContact CB-CB 4.41Å; A390-V440 HydrophobicContact CB-CG1 3.76Å; F392-V440 HydrophobicContact CB-CG1 4.18Å; F392-V440 HydrophobicContact CD1-CB 4.39Å; F392-V440 HydrophobicContact CD1-CG1 3.65Å; F392-V440 HydrophobicContact CD1-CG2 3.79Å; F392-V440 HydrophobicContact CE1-CG2 4.22Å; F392-V440 HydrophobicContact CG-CG1 4.36Å; F392-V440 HydrophobicContact CG-CG2 4.44Å; F403-V440 HydrophobicContact CD2-CG1 4.03Å; F403-V440 HydrophobicContact CE2-CG1 3.93Å; V440-Y448 VanDerWaalsContact CA-O 3.29Å; V440-Y448 WeakPolarHBondContact CA-O 3.27Å; V440-F449 HydrophobicContact CB-CD1 3.93Å; V440-F449 HydrophobicContact CB-CE1 4.16Å; V440-F449 HydrophobicContact CG2-CD1 3.65Å; V440-F449 HydrophobicContact CG2-CD2 4.39Å; V440-F449 HydrophobicContact CG2-CE1 3.64Å; V440-F449 HydrophobicContact CG2-CE2 4.39Å; V440-F449 HydrophobicContact CG2-CG 4.04Å; V440-F449 HydrophobicContact CG2-CZ 4.03Å
441	F	95.6	Very high	91.4	Very high	3 Å²	3	37.2 Å²	37.2	1%	0.013	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	165.5	166	75.9	-77	0	0	0	111.6	V299 T301 I306 F308 E443 Y448 F450 W474	V299-F441 HydrophobicContact CB-CD1 4.22Å; V299-F441 HydrophobicContact CG1-CB 4.07Å; V299-F441 HydrophobicContact CG1-CD1 3.43Å; V299-F441 VanDerWaalsContact CG1-CD1 3.43Å; V299-F441 HydrophobicContact CG1-CE1 4.03Å; V299-F441 HydrophobicContact CG1-CG 3.88Å; T301-F441 HydrophobicContact CG2-CD2 4.33Å; I306-F441 HydrophobicContact CD1-CE2 3.79Å; I306-F441 HydrophobicContact CD1-CZ 4.08Å; I306-F441 HydrophobicContact CG1-CE2 4.23Å; I306-F441 HydrophobicContact CG2-CD2 4.36Å; I306-F441 HydrophobicContact CG2-CE2 4.12Å; I306-F441 HydrophobicContact CG2-CZ 4.21Å; F308-F441 HydrophobicContact CE1-CE1 4.37Å; F441-E443 HydrophobicContact CD2-CB 4Å; F441-E443 HydrophobicContact CE2-CB 3.6Å; F441-E443 HydrophobicContact CE2-CG 4.43Å; F441-Y448 HydrophobicContact CD2-CD2 4.41Å; F441-Y448 HydrophobicContact CE1-CD2 4.13Å; F441-Y448 HydrophobicContact CE1-CG 4.08Å; F441-Y448 AromaticContact CE2-CD2 3.93Å; F441-Y448 HydrophobicContact CE2-CD2 3.93Å; F441-Y448 HydrophobicContact CE2-CE2 4.48Å; F441-Y448 AromaticContact CZ-CD2 3.77Å; F441-Y448 HydrophobicContact CZ-CD2 3.77Å; F441-Y448 HydrophobicContact CZ-CG 4.05Å; F441-Y448 PolarHBondContact N-O 2.88Å; F441-Y448 PolarHBondContact O-N 3.4Å; F441-F450 AromaticContact CD1-CE2 3.71Å; F441-F450 HydrophobicContact CD1-CE2 3.71Å; F441-F450 HydrophobicContact CD1-CZ 4.37Å; F441-F450 AromaticContact CE1-CE2 3.56Å; F441-F450 HydrophobicContact CE1-CE2 3.56Å; F441-F450 AromaticContact CE1-CZ 3.78Å; F441-F450 HydrophobicContact CE1-CZ 3.78Å; F441-W474 HydrophobicContact CE2-CH2 4.48Å; F441-W474 HydrophobicContact CE2-CZ2 4.37Å; F441-W474 HydrophobicContact CZ-CD2 4.11Å; F441-W474 AromaticContact CZ-CE2 3.66Å; F441-W474 HydrophobicContact CZ-CH2 4.21Å; F441-W474 AromaticContact CZ-CZ2 3.73Å; F441-W474 HydrophobicContact CZ-CZ2 3.73Å; F441-W474 AromaticContact CZ-NE1 3.92Å
442	E	91.4	Very high	91.3	Very high	28 Å²	28	36 Å²	36	13%	0.131	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	126.6	178.2	-179.8	-91.6	138.3	0	0	109.8	F392 F446 F447	F392-E442 HydrophobicContact CD2-CB 3.73Å; F392-E442 HydrophobicContact CE2-CB 4.13Å; E442-F446 WeakPolarHBondContact CA-O 3.39Å; E442-F447 HydrophobicContact CB-CD1 3.97Å; E442-F447 HydrophobicContact CB-CE1 4.23Å; E442-F447 HydrophobicContact CG-CD1 3.8Å; E442-F447 HydrophobicContact CG-CE1 3.72Å
443	E	83.8	Confident	91.5	Very high	26 Å²	26	34.9 Å²	34.9	12%	0.121	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	145.2	174.7	-163.2	60.8	-110.8	0	0	109.9	F441 G445 F446 Y448	F441-E443 HydrophobicContact CD2-CB 4Å; F441-E443 HydrophobicContact CE2-CB 3.6Å; F441-E443 HydrophobicContact CE2-CG 4.43Å; E443-G445 PolarHBondContact O-N 3.26Å; E443-F446 PolarHBondContact N-O 3.17Å; E443-F446 VanDerWaalsContact N-O 3.14Å; E443-F446 PolarHBondContact O-N 3.2Å; E443-Y448 HydrophobicContact CB-CD2 4.48Å; E443-Y448 HydrophobicContact CB-CE2 3.99Å; E443-Y448 WeakPolarHBondContact O-CE2 3.38Å
444	F	82.3	Confident	91.5	Very high	125 Å²	125	36.4 Å²	36.4	55%	0.548	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	26.5	-177.4	-48.9	-56.4	0	0	0	115	L319 F446 W474	L319-F444 HydrophobicContact CD1-CE1 4.12Å; L319-F444 HydrophobicContact CD1-CZ 3.61Å; L319-F444 HydrophobicContact CD2-CE2 4.43Å; L319-F444 HydrophobicContact CD2-CZ 4.03Å; L319-F444 HydrophobicContact CG-CZ 4.49Å; F444-F446 VanDerWaalsContact C-N 3.29Å; F444-F446 HydrophobicContact CB-CD2 4.45Å; F444-F446 VanDerWaalsContact O-CD2 3.3Å; F444-F446 WeakPolarHBondContact O-CD2 3.33Å; F444-F446 PolarHBondContact O-N 3.33Å; F444-W474 HydrophobicContact CD2-CH2 4.28Å; F444-W474 HydrophobicContact CE2-CH2 4.02Å; F444-W474 HydrophobicContact CE2-CZ3 4.23Å
445	G	79.9	Confident	92	Very high	38 Å²	38	32.1 Å²	32.1	39%	0.392	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	5.7	-179.1	0	0	0	0	0	115.3	E443 P460	E443-G445 PolarHBondContact O-N 3.26Å; G445-P460 WeakPolarHBondContact O-CD 3.38Å; G445-P460 WeakPolarHBondContact O-CG 3.3Å
446	F	85.9	Confident	92.6	Very high	60 Å²	60	30.5 Å²	30.5	26%	0.263	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	156	174.4	-63.7	-86.5	0	0	0	111	E442 E443 F444 Y448 E457 D459	E442-F446 WeakPolarHBondContact CA-O 3.39Å; E443-F446 PolarHBondContact N-O 3.17Å; E443-F446 VanDerWaalsContact N-O 3.14Å; E443-F446 PolarHBondContact O-N 3.2Å; F444-F446 VanDerWaalsContact C-N 3.29Å; F444-F446 HydrophobicContact CB-CD2 4.45Å; F444-F446 VanDerWaalsContact O-CD2 3.3Å; F444-F446 WeakPolarHBondContact O-CD2 3.33Å; F444-F446 PolarHBondContact O-N 3.33Å; F446-Y448 HydrophobicContact CB-CE1 4.46Å; F446-Y448 HydrophobicContact CB-CE2 3.93Å; F446-E457 HydrophobicContact CB-CG 4.02Å; F446-E457 HydrophobicContact CD1-CG 3.98Å; F446-E457 HydrophobicContact CG-CG 4.1Å; F446-D459 HydrophobicContact CD1-CB 4.07Å; F446-D459 HydrophobicContact CE1-CB 3.89Å
447	F	93.6	Very high	92.6	Very high	8 Å²	8	25.7 Å²	25.7	4%	0.035	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	126.5	171.2	-53.8	-23.5	0	0	0	109.2	F392 F430 E442 F449 F458 P460	F392-F447 HydrophobicContact CE1-CD2 4.44Å; F392-F447 AromaticContact CE2-CD1 3.77Å; F392-F447 HydrophobicContact CE2-CD1 3.77Å; F392-F447 HydrophobicContact CE2-CD2 4.49Å; F392-F447 AromaticContact CE2-CE1 3.51Å; F392-F447 HydrophobicContact CE2-CE1 3.51Å; F392-F447 HydrophobicContact CE2-CE2 4.24Å; F392-F447 HydrophobicContact CE2-CG 4.28Å; F392-F447 AromaticContact CE2-CZ 3.75Å; F392-F447 HydrophobicContact CE2-CZ 3.75Å; F392-F447 AromaticContact CZ-CD1 3.89Å; F392-F447 HydrophobicContact CZ-CD1 3.89Å; F392-F447 AromaticContact CZ-CD2 3.81Å; F392-F447 HydrophobicContact CZ-CD2 3.81Å; F392-F447 AromaticContact CZ-CE1 3.77Å; F392-F447 HydrophobicContact CZ-CE1 3.77Å; F392-F447 AromaticContact CZ-CE2 3.65Å; F392-F447 HydrophobicContact CZ-CE2 3.65Å; F392-F447 AromaticContact CZ-CG 3.93Å; F392-F447 HydrophobicContact CZ-CG 3.93Å; F392-F447 AromaticContact CZ-CZ 3.64Å; F392-F447 HydrophobicContact CZ-CZ 3.64Å; F430-F447 HydrophobicContact CD1-CD2 4.44Å; F430-F447 AromaticContact CE1-CD2 3.84Å; F430-F447 HydrophobicContact CE1-CD2 3.84Å; F430-F447 AromaticContact CE1-CE2 3.87Å; F430-F447 HydrophobicContact CE1-CE2 3.87Å; E442-F447 HydrophobicContact CB-CD1 3.97Å; E442-F447 HydrophobicContact CB-CE1 4.23Å; E442-F447 HydrophobicContact CG-CD1 3.8Å; E442-F447 HydrophobicContact CG-CE1 3.72Å; F447-F449 HydrophobicContact CB-CD2 4.22Å; F447-F449 HydrophobicContact CB-CE2 3.66Å; F447-F449 HydrophobicContact CB-CZ 4.3Å; F447-F449 HydrophobicContact CD2-CE2 4.4Å; F447-F458 HydrophobicContact CB-CB 4.37Å; F447-F458 AromaticContact CD2-CD1 3.95Å; F447-F458 HydrophobicContact CD2-CD1 3.95Å; F447-F458 HydrophobicContact CD2-CE1 4.46Å; F447-F458 PolarHBondContact N-O 3.09Å; F447-F458 PolarHBondContact O-N 3.37Å; F447-P460 HydrophobicContact CD2-CB 4.27Å; F447-P460 HydrophobicContact CE1-CG 4.26Å; F447-P460 HydrophobicContact CE2-CB 3.65Å; F447-P460 HydrophobicContact CE2-CG 4.21Å; F447-P460 HydrophobicContact CZ-CB 3.81Å; F447-P460 HydrophobicContact CZ-CG 3.99Å
448	Y	95.4	Very high	92.4	Very high	11 Å²	11	25.7 Å²	25.7	4%	0.043	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	102.2	179.6	-58.7	-85.3	0	0	0	108.9	V440 F441 E443 F446 F450 L456 E457 W474	V440-Y448 VanDerWaalsContact CA-O 3.29Å; V440-Y448 WeakPolarHBondContact CA-O 3.27Å; F441-Y448 HydrophobicContact CD2-CD2 4.41Å; F441-Y448 HydrophobicContact CE1-CD2 4.13Å; F441-Y448 HydrophobicContact CE1-CG 4.08Å; F441-Y448 AromaticContact CE2-CD2 3.93Å; F441-Y448 HydrophobicContact CE2-CD2 3.93Å; F441-Y448 HydrophobicContact CE2-CE2 4.48Å; F441-Y448 AromaticContact CZ-CD2 3.77Å; F441-Y448 HydrophobicContact CZ-CD2 3.77Å; F441-Y448 HydrophobicContact CZ-CG 4.05Å; F441-Y448 PolarHBondContact N-O 2.88Å; F441-Y448 PolarHBondContact O-N 3.4Å; E443-Y448 HydrophobicContact CB-CD2 4.48Å; E443-Y448 HydrophobicContact CB-CE2 3.99Å; E443-Y448 WeakPolarHBondContact O-CE2 3.38Å; F446-Y448 HydrophobicContact CB-CE1 4.46Å; F446-Y448 HydrophobicContact CB-CE2 3.93Å; Y448-F450 WeakPolarHBondContact O-CD2 3.37Å; Y448-F450 WeakPolarHBondContact O-CE2 3.39Å; Y448-L456 WeakPolarHBondContact CA-O 3.4Å; Y448-E457 HydrophobicContact CD1-CB 4.06Å; Y448-E457 HydrophobicContact CD1-CG 4.09Å; Y448-E457 HydrophobicContact CE1-CB 3.99Å; Y448-E457 HydrophobicContact CE1-CG 3.6Å; Y448-E457 WeakPolarHBondContact CE1-OE2 3.35Å; Y448-W474 AromaticContact CD1-CZ2 3.85Å; Y448-W474 HydrophobicContact CD1-CZ2 3.85Å; Y448-W474 HydrophobicContact CD2-CZ2 4Å; Y448-W474 HydrophobicContact CE1-CH2 4.49Å; Y448-W474 AromaticContact CE1-CZ2 3.57Å; Y448-W474 HydrophobicContact CE1-CZ2 3.57Å; Y448-W474 HydrophobicContact CE2-CH2 4.19Å; Y448-W474 AromaticContact CE2-CZ2 3.75Å; Y448-W474 HydrophobicContact CE2-CZ2 3.75Å; Y448-W474 HydrophobicContact CG-CZ2 4.05Å; Y448-W474 AromaticContact CZ-CZ2 3.52Å
449	F	97.3	Very high	91.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	138.6	178	-68.6	-89	0	0	0	110.4	F403 F430 I433 I437 V440 F447 Q455 L456 F458	F403-F449 AromaticContact CE1-CE1 3.9Å; F403-F449 HydrophobicContact CE1-CE1 3.9Å; F403-F449 HydrophobicContact CE1-CZ 4.35Å; F403-F449 HydrophobicContact CE2-CE1 4.11Å; F403-F449 AromaticContact CZ-CE1 3.65Å; F403-F449 HydrophobicContact CZ-CE1 3.65Å; F403-F449 AromaticContact CZ-CZ 3.96Å; F403-F449 HydrophobicContact CZ-CZ 3.96Å; F430-F449 HydrophobicContact CD1-CE2 4.21Å; F430-F449 AromaticContact CD1-CZ 3.82Å; F430-F449 HydrophobicContact CD1-CZ 3.82Å; F430-F449 HydrophobicContact CE1-CZ 4.12Å; F430-F449 HydrophobicContact CG-CZ 4.33Å; I433-F449 HydrophobicContact CD1-CB 4.17Å; I433-F449 HydrophobicContact CD1-CD2 3.54Å; I433-F449 HydrophobicContact CD1-CE2 4.1Å; I433-F449 HydrophobicContact CD1-CG 3.94Å; I433-F449 HydrophobicContact CG1-CD2 3.91Å; I433-F449 HydrophobicContact CG1-CE2 3.98Å; I433-F449 HydrophobicContact CG1-CG 4.3Å; I433-F449 HydrophobicContact CG1-CZ 4.44Å; I433-F449 HydrophobicContact CG2-CB 4.39Å; I433-F449 HydrophobicContact CG2-CD1 3.86Å; I433-F449 HydrophobicContact CG2-CD2 4.42Å; I433-F449 HydrophobicContact CG2-CE1 4.2Å; I433-F449 HydrophobicContact CG2-CG 3.98Å; I437-F449 HydrophobicContact CD1-CD1 3.82Å; I437-F449 HydrophobicContact CD1-CE1 3.87Å; I437-F449 HydrophobicContact CG1-CD1 4.24Å; I437-F449 HydrophobicContact CG2-CD1 3.88Å; V440-F449 HydrophobicContact CB-CD1 3.93Å; V440-F449 HydrophobicContact CB-CE1 4.16Å; V440-F449 HydrophobicContact CG2-CD1 3.65Å; V440-F449 HydrophobicContact CG2-CD2 4.39Å; V440-F449 HydrophobicContact CG2-CE1 3.64Å; V440-F449 HydrophobicContact CG2-CE2 4.39Å; V440-F449 HydrophobicContact CG2-CG 4.04Å; V440-F449 HydrophobicContact CG2-CZ 4.03Å; F447-F449 HydrophobicContact CB-CD2 4.22Å; F447-F449 HydrophobicContact CB-CE2 3.66Å; F447-F449 HydrophobicContact CB-CZ 4.3Å; F447-F449 HydrophobicContact CD2-CE2 4.4Å; F449-Q455 CarbonylContact O-C 3.43Å; F449-Q455 VanDerWaalsContact O-CA 3.25Å; F449-Q455 WeakPolarHBondContact O-CA 3.21Å; F449-L456 HydrophobicContact CB-CB 4.35Å; F449-L456 PolarHBondContact N-O 2.88Å; F449-L456 PolarHBondContact O-N 3.38Å; F449-F458 HydrophobicContact CD2-CB 3.97Å; F449-F458 HydrophobicContact CE2-CB 3.86Å; F449-F458 HydrophobicContact CE2-CD1 4.37Å; F449-F458 HydrophobicContact CE2-CG 4.17Å
450	F	97	Very high	91.3	Very high	1 Å²	1	26.9 Å²	26.9	0%	0.004	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	130.9	177.7	-65.1	-98.5	0	0	0	109.9	F296 V299 F308 D438 A439 F441 Y448 S454 Q455	F296-F450 AromaticContact CD2-CD1 3.77Å; F296-F450 HydrophobicContact CD2-CD1 3.77Å; F296-F450 AromaticContact CD2-CE1 3.92Å; F296-F450 HydrophobicContact CD2-CE1 3.92Å; F296-F450 HydrophobicContact CD2-CG 4.46Å; F296-F450 HydrophobicContact CE2-CD1 4.16Å; F296-F450 AromaticContact CE2-CE1 3.93Å; F296-F450 HydrophobicContact CE2-CE1 3.93Å; V299-F450 HydrophobicContact CG2-CD2 4.25Å; V299-F450 HydrophobicContact CG2-CE2 4.27Å; F308-F450 HydrophobicContact CE1-CE1 4.38Å; F308-F450 AromaticContact CE1-CZ 3.97Å; F308-F450 HydrophobicContact CE1-CZ 3.97Å; D438-F450 PolarHBondContact N-O 3.38Å; A439-F450 HydrophobicContact CB-CB 4.09Å; A439-F450 HydrophobicContact CB-CD2 4.22Å; A439-F450 HydrophobicContact CB-CG 4.41Å; A439-F450 PolarHBondContact N-O 3.01Å; A439-F450 PolarHBondContact O-N 3.27Å; F441-F450 AromaticContact CD1-CE2 3.71Å; F441-F450 HydrophobicContact CD1-CE2 3.71Å; F441-F450 HydrophobicContact CD1-CZ 4.37Å; F441-F450 AromaticContact CE1-CE2 3.56Å; F441-F450 HydrophobicContact CE1-CE2 3.56Å; F441-F450 AromaticContact CE1-CZ 3.78Å; F441-F450 HydrophobicContact CE1-CZ 3.78Å; Y448-F450 WeakPolarHBondContact O-CD2 3.37Å; Y448-F450 WeakPolarHBondContact O-CE2 3.39Å; F450-S454 WeakPolarHBondContact CA-O 3.19Å; F450-Q455 HydrophobicContact CD1-CB 4.1Å; F450-Q455 HydrophobicContact CD1-CG 4.41Å; F450-Q455 HydrophobicContact CE1-CB 3.89Å; F450-Q455 HydrophobicContact CE1-CG 3.93Å; F450-Q455 HydrophobicContact CE2-CG 4.37Å; F450-Q455 HydrophobicContact CZ-CB 4.38Å; F450-Q455 HydrophobicContact CZ-CG 3.9Å
451	T	95.1	Very high	90.7	Very high	32 Å²	32	33.8 Å²	33.8	20%	0.196	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	108.2	174.8	-56	0	0	0	0	108.4	K436 S453 S454	K436-T451 WeakPolarHBondContact O-CG2 3.48Å; K436-T451 PolarHBondContact O-OG1 2.82Å; T451-S453 PolarHBondContact O-N 2.78Å; T451-S454 PolarHBondContact N-O 3.47Å; T451-S454 PolarHBondContact O-N 3.05Å; T451-S454 VanDerWaalsContact O-N 3.1Å
452	G	93.6	Very high	90.2	Very high	28 Å²	28	36.1 Å²	36.1	29%	0.289	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	-125.2	-171.2	0	0	0	0	0	111.3	S295 D438 S454	S295-G452 WeakPolarHBondContact CA-O 3.36Å; S295-G452 WeakPolarHBondContact CB-O 3.42Å; D438-G452 PolarHBondContact OD2-N 3.01Å; G452-S454 VanDerWaalsContact C-N 3.28Å; G452-S454 PolarHBondContact O-N 3.02Å
453	S	94.1	Very high	90.2	Very high	38 Å²	38	39.5 Å²	39.5	27%	0.266	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	17.5	179.3	59.1	0	0	0	0	114.6	P292 L294 T451 K470 S471	P292-S453 WeakPolarHBondContact O-CB 3.3Å; L294-S453 WeakPolarHBondContact O-CA 3.36Å; T451-S453 PolarHBondContact O-N 2.78Å; S453-K470 WeakPolarHBondContact O-CD 3.38Å; S453-S471 PolarHBondContact O-N 3.41Å; S453-S471 PolarHBondContact O-OG 2.92Å
454	S	94.2	Very high	90.5	Very high	45 Å²	45	43.9 Å²	43.9	32%	0.315	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	145.5	180	-54.9	0	0	0	0	111.2	F450 T451 G452 L469	F450-S454 WeakPolarHBondContact CA-O 3.19Å; T451-S454 PolarHBondContact N-O 3.47Å; T451-S454 PolarHBondContact O-N 3.05Å; T451-S454 VanDerWaalsContact O-N 3.1Å; G452-S454 VanDerWaalsContact C-N 3.28Å; G452-S454 PolarHBondContact O-N 3.02Å; S454-L469 WeakPolarHBondContact CA-O 3.5Å
455	Q	94.8	Very high	90.9	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.009	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	135.6	170.1	175.3	-164.8	-57.5	0	0	109.3	F449 F450 T468 L469 S473	F449-Q455 CarbonylContact O-C 3.43Å; F449-Q455 VanDerWaalsContact O-CA 3.25Å; F449-Q455 WeakPolarHBondContact O-CA 3.21Å; F450-Q455 HydrophobicContact CD1-CB 4.1Å; F450-Q455 HydrophobicContact CD1-CG 4.41Å; F450-Q455 HydrophobicContact CE1-CB 3.89Å; F450-Q455 HydrophobicContact CE1-CG 3.93Å; F450-Q455 HydrophobicContact CE2-CG 4.37Å; F450-Q455 HydrophobicContact CZ-CB 4.38Å; F450-Q455 HydrophobicContact CZ-CG 3.9Å; Q455-T468 CarbonylContact O-C 3.48Å; Q455-T468 WeakPolarHBondContact O-CA 3.41Å; Q455-L469 PolarHBondContact N-O 3.49Å; Q455-L469 PolarHBondContact O-N 3Å; Q455-S473 PolarHBondContact OE1-OG 3.26Å
456	L	94.1	Very high	90.8	Very high	25 Å²	25	40.2 Å²	40.2	13%	0.131	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	117.9	174.1	-55.6	172.6	0	0	0	108.8	I433 Y448 F449 V465 T468	I433-L456 HydrophobicContact CD1-CB 3.95Å; I433-L456 HydrophobicContact CD1-CD1 3.82Å; Y448-L456 WeakPolarHBondContact CA-O 3.4Å; F449-L456 HydrophobicContact CB-CB 4.35Å; F449-L456 PolarHBondContact N-O 2.88Å; F449-L456 PolarHBondContact O-N 3.38Å; L456-V465 HydrophobicContact CB-CG1 4.19Å; L456-V465 HydrophobicContact CD2-CG1 4.14Å; L456-T468 HydrophobicContact CD2-CG2 3.69Å; L456-T468 VanDerWaalsContact CD2-OG1 3.27Å; L456-T468 WeakPolarHBondContact CD2-OG1 3.45Å
457	E	90	Very high	90.6	Very high	29 Å²	29	42.4 Å²	42.4	14%	0.136	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	124.6	168.2	-177.3	-172.7	90.5	0	0	108.5	F446 Y448 V465 T466 H467	F446-E457 HydrophobicContact CB-CG 4.02Å; F446-E457 HydrophobicContact CD1-CG 3.98Å; F446-E457 HydrophobicContact CG-CG 4.1Å; Y448-E457 HydrophobicContact CD1-CB 4.06Å; Y448-E457 HydrophobicContact CD1-CG 4.09Å; Y448-E457 HydrophobicContact CE1-CB 3.99Å; Y448-E457 HydrophobicContact CE1-CG 3.6Å; Y448-E457 WeakPolarHBondContact CE1-OE2 3.35Å; E457-V465 CarbonylContact O-C 3.57Å; E457-V465 WeakPolarHBondContact O-CA 3.36Å; E457-T466 WeakPolarHBondContact CG-OG1 3.49Å; E457-T466 PolarHBondContact O-N 2.86Å; E457-T466 PolarHBondContact O-OG1 3.34Å; E457-T466 VanDerWaalsContact O-OG1 3.12Å; E457-T466 PolarHBondContact OE1-OG1 3.49Å; E457-H467 HydrophobicContact CB-CB 4.15Å; E457-H467 PolarHBondContact N-O 3.19Å; E457-H467 IonicContact OE1-CE1 3.64Å; E457-H467 IonicContact OE1-CG 3.85Å; E457-H467 IonicContact OE1-ND1 2.79Å; E457-H467 PolarHBondContact OE1-ND1 3.21Å; E457-H467 IonicContact OE2-ND1 3.96Å
458	F	90.9	Very high	90.4	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.009	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	126.4	-177.8	-179.3	-92	0	0	0	110.4	F430 P431 I433 F447 F449 P460 K463 V465	F430-F458 HydrophobicContact CB-CE2 4.37Å; F430-F458 HydrophobicContact CB-CZ 4.27Å; F430-F458 HydrophobicContact CD1-CD1 4.09Å; F430-F458 AromaticContact CD1-CE1 3.64Å; F430-F458 HydrophobicContact CD1-CE1 3.64Å; F430-F458 AromaticContact CD1-CZ 3.98Å; F430-F458 HydrophobicContact CD1-CZ 3.98Å; F430-F458 HydrophobicContact CE1-CE1 4.29Å; P431-F458 HydrophobicContact CG-CE2 4.49Å; I433-F458 HydrophobicContact CD1-CB 4.34Å; I433-F458 HydrophobicContact CD1-CD2 4.23Å; I433-F458 HydrophobicContact CG1-CD2 4.12Å; F447-F458 HydrophobicContact CB-CB 4.37Å; F447-F458 AromaticContact CD2-CD1 3.95Å; F447-F458 HydrophobicContact CD2-CD1 3.95Å; F447-F458 HydrophobicContact CD2-CE1 4.46Å; F447-F458 PolarHBondContact N-O 3.09Å; F447-F458 PolarHBondContact O-N 3.37Å; F449-F458 HydrophobicContact CD2-CB 3.97Å; F449-F458 HydrophobicContact CE2-CB 3.86Å; F449-F458 HydrophobicContact CE2-CD1 4.37Å; F449-F458 HydrophobicContact CE2-CG 4.17Å; F458-P460 HydrophobicContact CE1-CB 4.42Å; F458-P460 WeakPolarHBondContact O-CD 3.29Å; F458-K463 HydrophobicContact CZ-CB 4.39Å; F458-V465 HydrophobicContact CD2-CG2 4.23Å
459	D	84	Confident	90	Very high	33 Å²	33	49.7 Å²	49.7	18%	0.176	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	111.2	174.1	-179.1	-18.5	0	0	0	109.6	F446 N461 A462 K463 K464 T466	F446-D459 HydrophobicContact CD1-CB 4.07Å; F446-D459 HydrophobicContact CE1-CB 3.89Å; D459-N461 VanDerWaalsContact C-N 3.25Å; D459-N461 PolarHBondContact O-N 3.31Å; D459-N461 WeakPolarHBondContact OD1-CA 3.22Å; D459-N461 VanDerWaalsContact OD1-CB 3.32Å; D459-N461 WeakPolarHBondContact OD1-CB 3.22Å; D459-N461 PolarHBondContact OD1-N 3.24Å; D459-A462 HydrophobicContact CB-CB 4.06Å; D459-A462 PolarHBondContact OD1-N 2.61Å; D459-A462 VanDerWaalsContact OD1-N 3.08Å; D459-A462 WeakPolarHBondContact OD2-CB 3.27Å; D459-K463 VanDerWaalsContact O-CA 3.31Å; D459-K463 WeakPolarHBondContact O-CA 3.38Å; D459-K463 PolarHBondContact O-N 3.13Å; D459-K464 PolarHBondContact N-O 2.92Å; D459-K464 PolarHBondContact O-N 3.03Å; D459-T466 HydrophobicContact CB-CG2 3.88Å
460	P	85.7	Confident	89.8	Confident	29 Å²	29	54.5 Å²	54.5	19%	0.188	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-19.8	-179.2	28.9	-35	0	0	0	114.1	G445 F447 F458	G445-P460 WeakPolarHBondContact O-CD 3.38Å; G445-P460 WeakPolarHBondContact O-CG 3.3Å; F447-P460 HydrophobicContact CD2-CB 4.27Å; F447-P460 HydrophobicContact CE1-CG 4.26Å; F447-P460 HydrophobicContact CE2-CB 3.65Å; F447-P460 HydrophobicContact CE2-CG 4.21Å; F447-P460 HydrophobicContact CZ-CB 3.81Å; F447-P460 HydrophobicContact CZ-CG 3.99Å; F458-P460 HydrophobicContact CE1-CB 4.42Å; F458-P460 WeakPolarHBondContact O-CD 3.29Å
461	N	86.3	Confident	89.6	Confident	147 Å²	147	54.4 Å²	54.4	79%	0.786	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-44.9	177.9	-59.4	-57.5	0	0	0	110.9	D459 K463	D459-N461 VanDerWaalsContact C-N 3.25Å; D459-N461 PolarHBondContact O-N 3.31Å; D459-N461 WeakPolarHBondContact OD1-CA 3.22Å; D459-N461 VanDerWaalsContact OD1-CB 3.32Å; D459-N461 WeakPolarHBondContact OD1-CB 3.22Å; D459-N461 PolarHBondContact OD1-N 3.24Å; N461-K463 VanDerWaalsContact C-N 3.3Å
462	A	85.3	Confident	89.4	Confident	51 Å²	51	53.3 Å²	53.3	42%	0.421	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-13	176.6	0	0	0	0	0	113.3	D459 K464	D459-A462 HydrophobicContact CB-CB 4.06Å; D459-A462 PolarHBondContact OD1-N 2.61Å; D459-A462 VanDerWaalsContact OD1-N 3.08Å; D459-A462 WeakPolarHBondContact OD2-CB 3.27Å; A462-K464 HydrophobicContact CB-CD 4.27Å; A462-K464 HydrophobicContact CB-CG 3.95Å; A462-K464 PolarHBondContact O-N 3.24Å
463	K	92	Very high	89.1	Confident	100 Å²	100	53.4 Å²	53.4	44%	0.435	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.9	55.6	-174.1	-66.6	-166.6	169	-155.1	0	112.2	D429 P431 F458 D459 N461	D429-K463 IonicContact OD1-NZ 3.11Å; D429-K463 PolarHBondContact OD1-NZ 3.13Å; D429-K463 VanDerWaalsContact OD1-NZ 3.11Å; P431-K463 HydrophobicContact CG-CB 4.38Å; P431-K463 WeakPolarHBondContact CG-O 3.37Å; F458-K463 HydrophobicContact CZ-CB 4.39Å; D459-K463 VanDerWaalsContact O-CA 3.31Å; D459-K463 WeakPolarHBondContact O-CA 3.38Å; D459-K463 PolarHBondContact O-N 3.13Å; N461-K463 VanDerWaalsContact C-N 3.3Å
464	K	88.4	Confident	88.8	Confident	117 Å²	117	53.4 Å²	53.4	51%	0.509	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	155.2	177.1	66.5	179.5	-176.2	175.8	0	111.4	D459 A462	D459-K464 PolarHBondContact N-O 2.92Å; D459-K464 PolarHBondContact O-N 3.03Å; A462-K464 HydrophobicContact CB-CD 4.27Å; A462-K464 HydrophobicContact CB-CG 3.95Å; A462-K464 PolarHBondContact O-N 3.24Å
465	V	90.6	Very high	88.3	Confident	40 Å²	40	51.5 Å²	51.5	24%	0.242	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	126.5	164.9	179.7	0	0	0	0	108.8	I433 L456 E457 F458 H467	I433-V465 HydrophobicContact CD1-CG2 3.65Å; I433-V465 HydrophobicContact CG1-CG2 4.5Å; L456-V465 HydrophobicContact CB-CG1 4.19Å; L456-V465 HydrophobicContact CD2-CG1 4.14Å; E457-V465 CarbonylContact O-C 3.57Å; E457-V465 WeakPolarHBondContact O-CA 3.36Å; F458-V465 HydrophobicContact CD2-CG2 4.23Å; V465-H467 WeakPolarHBondContact CG1-O 3.41Å
466	T	78.6	Confident	87.6	Confident	47 Å²	47	55.7 Å²	55.7	29%	0.288	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-40.1	179.8	44.3	0	0	0	0	111.6	E457 D459	E457-T466 WeakPolarHBondContact CG-OG1 3.49Å; E457-T466 PolarHBondContact O-N 2.86Å; E457-T466 PolarHBondContact O-OG1 3.34Å; E457-T466 VanDerWaalsContact O-OG1 3.12Å; E457-T466 PolarHBondContact OE1-OG1 3.49Å; D459-T466 HydrophobicContact CB-CG2 3.88Å
467	H	81.1	Confident	86.8	Confident	106 Å²	106	58.1 Å²	58.1	49%	0.491	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	150	-179.1	-61.4	101.5	0	0	0	111.8	E457 V465	E457-H467 HydrophobicContact CB-CB 4.15Å; E457-H467 PolarHBondContact N-O 3.19Å; E457-H467 IonicContact OE1-CE1 3.64Å; E457-H467 IonicContact OE1-CG 3.85Å; E457-H467 IonicContact OE1-ND1 2.79Å; E457-H467 PolarHBondContact OE1-ND1 3.21Å; E457-H467 IonicContact OE2-ND1 3.96Å; V465-H467 WeakPolarHBondContact CG1-O 3.41Å
468	T	90.1	Very high	86.6	Confident	92 Å²	92	59.6 Å²	59.6	56%	0.564	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122	117.8	168.7	-56.9	0	0	0	0	108.1	Q455 L456	Q455-T468 CarbonylContact O-C 3.48Å; Q455-T468 WeakPolarHBondContact O-CA 3.41Å; L456-T468 HydrophobicContact CD2-CG2 3.69Å; L456-T468 VanDerWaalsContact CD2-OG1 3.27Å; L456-T468 WeakPolarHBondContact CD2-OG1 3.45Å
469	L	87.8	Confident	86.4	Confident	79 Å²	79	62.6 Å²	62.6	41%	0.414	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	173.8	-177.3	-61.7	177	0	0	0	110.1	S454 Q455	S454-L469 WeakPolarHBondContact CA-O 3.5Å; Q455-L469 PolarHBondContact N-O 3.49Å; Q455-L469 PolarHBondContact O-N 3Å
470	K	91.5	Very high	86.5	Confident	101 Å²	101	64.3 Å²	64.3	44%	0.439	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	146	165.7	-67.5	-63	-171.2	172	0	110.1	S453 N472 S473	S453-K470 WeakPolarHBondContact O-CD 3.38Å; K470-N472 VanDerWaalsContact CB-OD1 3.22Å; K470-N472 WeakPolarHBondContact CB-OD1 3.26Å; K470-N472 PolarHBondContact O-N 3.27Å; K470-S473 VanDerWaalsContact O-CB 3.26Å; K470-S473 WeakPolarHBondContact O-CB 3.41Å; K470-S473 PolarHBondContact O-N 3.02Å; K470-S473 PolarHBondContact O-OG 3.28Å
471	S	93	Very high	86.6	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-52.1	-38.8	176.4	49.1	0	0	0	0	112.4	L294 F296 S453 S473	L294-S471 WeakPolarHBondContact O-CB 3.48Å; L294-S471 PolarHBondContact O-OG 3.29Å; F296-S471 WeakPolarHBondContact CE2-O 3.39Å; S453-S471 PolarHBondContact O-N 3.41Å; S453-S471 PolarHBondContact O-OG 2.92Å; S471-S473 VanDerWaalsContact C-N 3.26Å; S471-S473 PolarHBondContact O-N 2.62Å
472	N	91.4	Very high	86.6	Confident	9 Å²	9	61.3 Å²	61.3	5%	0.048	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-80.8	5.8	-179.1	67	-14.8	0	0	0	115	D291 L294 K470 W474 L475	D291-N472 PolarHBondContact O-ND2 3.03Å; L294-N472 HydrophobicContact CD2-CB 4.07Å; K470-N472 VanDerWaalsContact CB-OD1 3.22Å; K470-N472 WeakPolarHBondContact CB-OD1 3.26Å; K470-N472 PolarHBondContact O-N 3.27Å; N472-W474 PolarHBondContact O-N 2.97Å; N472-L475 HydrophobicContact CB-CD1 4.42Å; N472-L475 WeakPolarHBondContact O-CA 3.21Å; N472-L475 WeakPolarHBondContact O-CB 3.29Å; N472-L475 PolarHBondContact O-N 3Å
473	S	88.3	Confident	86.7	Confident	30 Å²	30	62 Å²	62	21%	0.21	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-60.7	-29.6	-178.8	57.3	0	0	0	0	114.1	Q455 K470 S471 L475 N476	Q455-S473 PolarHBondContact OE1-OG 3.26Å; K470-S473 VanDerWaalsContact O-CB 3.26Å; K470-S473 WeakPolarHBondContact O-CB 3.41Å; K470-S473 PolarHBondContact O-N 3.02Å; K470-S473 PolarHBondContact O-OG 3.28Å; S471-S473 VanDerWaalsContact C-N 3.26Å; S471-S473 PolarHBondContact O-N 2.62Å; S473-L475 PolarHBondContact O-N 2.99Å; S473-N476 PolarHBondContact O-N 3.07Å
474	W	86.3	Confident	86.3	Confident	37 Å²	37	59.3 Å²	59.3	14%	0.14	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-73	-14.7	173.5	-72.1	91.5	0	0	0	114.2	I306 F308 K317 L319 F441 F444 Y448 N472 N476	I306-W474 HydrophobicContact CD1-CD2 4.42Å; I306-W474 HydrophobicContact CD1-CE3 3.66Å; I306-W474 HydrophobicContact CD1-CH2 4.47Å; I306-W474 HydrophobicContact CD1-CZ3 3.69Å; F308-W474 HydrophobicContact CE1-CB 4.15Å; F308-W474 HydrophobicContact CE1-CG 4.36Å; F308-W474 HydrophobicContact CE2-CB 4Å; F308-W474 HydrophobicContact CZ-CB 3.39Å; F308-W474 HydrophobicContact CZ-CD2 4.46Å; F308-W474 AromaticContact CZ-CG 3.74Å; F308-W474 HydrophobicContact CZ-CG 3.74Å; K317-W474 WeakPolarHBondContact CD-O 3.5Å; K317-W474 WeakPolarHBondContact CE-O 3.43Å; L319-W474 HydrophobicContact CD2-CZ3 4.37Å; F441-W474 HydrophobicContact CE2-CH2 4.48Å; F441-W474 HydrophobicContact CE2-CZ2 4.37Å; F441-W474 HydrophobicContact CZ-CD2 4.11Å; F441-W474 AromaticContact CZ-CE2 3.66Å; F441-W474 HydrophobicContact CZ-CH2 4.21Å; F441-W474 AromaticContact CZ-CZ2 3.73Å; F441-W474 HydrophobicContact CZ-CZ2 3.73Å; F441-W474 AromaticContact CZ-NE1 3.92Å; F444-W474 HydrophobicContact CD2-CH2 4.28Å; F444-W474 HydrophobicContact CE2-CH2 4.02Å; F444-W474 HydrophobicContact CE2-CZ3 4.23Å; Y448-W474 AromaticContact CD1-CZ2 3.85Å; Y448-W474 HydrophobicContact CD1-CZ2 3.85Å; Y448-W474 HydrophobicContact CD2-CZ2 4Å; Y448-W474 HydrophobicContact CE1-CH2 4.49Å; Y448-W474 AromaticContact CE1-CZ2 3.57Å; Y448-W474 HydrophobicContact CE1-CZ2 3.57Å; Y448-W474 HydrophobicContact CE2-CH2 4.19Å; Y448-W474 AromaticContact CE2-CZ2 3.75Å; Y448-W474 HydrophobicContact CE2-CZ2 3.75Å; Y448-W474 HydrophobicContact CG-CZ2 4.05Å; Y448-W474 AromaticContact CZ-CZ2 3.52Å; N472-W474 PolarHBondContact O-N 2.97Å; W474-N476 VanDerWaalsContact C-N 3.27Å
475	L	85.1	Confident	86.1	Confident	5 Å²	5	54.8 Å²	54.8	3%	0.026	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-91.2	10.4	-179.7	-53.2	-174.2	0	0	0	112.2	T289 L294 F296 F308 W315 P324 N472 S473 C477	T289-L475 HydrophobicContact CG2-CB 3.87Å; T289-L475 HydrophobicContact CG2-CD1 3.89Å; T289-L475 HydrophobicContact CG2-CG 4.49Å; L294-L475 HydrophobicContact CD2-CD1 3.81Å; F296-L475 HydrophobicContact CE1-CD1 4.27Å; F296-L475 HydrophobicContact CZ-CD1 3.9Å; F296-L475 HydrophobicContact CZ-CG 4.45Å; F308-L475 HydrophobicContact CD2-CD2 3.87Å; F308-L475 HydrophobicContact CE2-CD2 4.08Å; F308-L475 HydrophobicContact CG-CD2 4.4Å; W315-L475 HydrophobicContact CB-CD2 3.94Å; W315-L475 HydrophobicContact CD2-CD1 4.02Å; W315-L475 HydrophobicContact CG-CD1 4.07Å; W315-L475 HydrophobicContact CG-CD2 4.11Å; P324-L475 HydrophobicContact CB-CD2 3.99Å; P324-L475 HydrophobicContact CG-CB 4.01Å; P324-L475 HydrophobicContact CG-CD2 3.98Å; N472-L475 HydrophobicContact CB-CD1 4.42Å; N472-L475 WeakPolarHBondContact O-CA 3.21Å; N472-L475 WeakPolarHBondContact O-CB 3.29Å; N472-L475 PolarHBondContact O-N 3Å; S473-L475 PolarHBondContact O-N 2.99Å; L475-C477 VanDerWaalsContact C-N 3.31Å
476	N	79.4	Confident	85.8	Confident	90 Å²	90	56.1 Å²	56.1	48%	0.481	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	40.6	-177.8	-69.7	-28	0	0	0	113.8	L322 S473 W474	L322-N476 PolarHBondContact O-ND2 2.9Å; S473-N476 PolarHBondContact O-N 3.07Å; W474-N476 VanDerWaalsContact C-N 3.27Å
477	C	76.6	Confident	86.4	Confident	77 Å²	77	56.9 Å²	56.9	52%	0.52	30%	0.303	S	S	.	.			trans	-108	0	159.2	-41.3	0	0	0	0	107.3	C290 L475	C290-C477 WeakPolarHBondContact CA-SG 3.41Å; C290-C477 HydrophobicContact CB-CB 3.73Å; C290-C477 WeakPolarHBondContact CB-SG 3.23Å; C290-C477 WeakPolarHBondContact SG-CB 3.44Å; C290-C477 CovalentContact SG-SG 2.05Å; C290-C477 PolarHBondContact SG-SG 3.45Å; L475-C477 VanDerWaalsContact C-N 3.31Å

Retrieved 477 of 477 residues in 238.2 ms (Link to these results)

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